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manual_make_bundle.pdb
471 lines (471 loc) · 37.3 KB
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manual_make_bundle.pdb
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HEADER 03-SEP-19 XXXX
EXPDTA THEORETICAL MODEL
REMARK 220
REMARK 220 EXPERIMENTAL DETAILS
REMARK 220 EXPERIMENT TYPE : THEORETICAL MODELLING
REMARK 220 DATE OF DATA COLLECTION : 03-SEP-19
REMARK 220
REMARK 220 REMARK: MODEL GENERATED BY ROSETTA
REMARK 220 VERSION 2019.33+release.1e60c63beb5
REMARK 250 ----------------------------------------
REMARK 250 CRICK PARAMETER INFORMATION
REMARK 250 Bundle symmetry: 0 (not symmetric)
REMARK 250 Bundle symmetry copies: 0
REMARK 250 Number of helices per copy: 2
REMARK 250 ---HELIX 1 PARAMETERS:---
REMARK 250 PARAMETERS THAT ARE TYPICALLY SAMPLED:
REMARK 250 Major radius (r0,Angstroms): 5.00000000
REMARK 250 Major twist (omega0,radians/residue): 0.20943951
REMARK 250 Rotation about z-axis (delta_omega0,radians): 0.00000000
REMARK 250 Roll about helix axis (delta_omega1,radians): 0.00000000
REMARK 250 Registry shift (delta_t,residues): 0.00000000
REMARK 250 Major axial offset (z0_offset,Angstroms): 0.00000000
REMARK 250 Minor axial offset (z1_offset,vert. Angstroms): 0.000000
REMARK 250 Lateral squash (epsilon,dimensionless): 1.00000000
REMARK 250 PARAMETERS THAT ARE NOT TYPICALLY SAMPLED:
REMARK 250 Residues/repeat (residues_per_repeat,dimensionless): 1
REMARK 250 Repeat unit offset (repeating_unit_offset,residues): 0
REMARK 250 Atoms/residue (atoms_per_residue,dimensionless):
REMARK 250 [3]
REMARK 250 Minor radius (r1_peratom,Angstroms):
REMARK 250 [1.53673520, 2.29431130, 1.73316244]
REMARK 250 Minor twist (omega1,radians/residue): 1.72180480
REMARK 250 Minor rise (z1,Angstroms/residue): 1.53104401
REMARK 250 Atom angular offset (delta_omega1_peratom,radians):
REMARK 250 [-0.46010617, 0.00000000, 0.48012932]
REMARK 250 Atom axial offset (delta_z1_peratom,Angstroms):
REMARK 250 [-0.90470326, 0.00000000, 1.05169636]
REMARK 250 Invert helix (invert,Boolean): FALSE
REMARK 250 Dihedrals set (set_dihedrals,Boolean): TRUE
REMARK 250 Nonideal bond angles (set_bondangles,Boolean): TRUE
REMARK 250 Nonideal bond lengths (set_bondlengths,Boolean): TRUE
REMARK 250 ---HELIX 2 PARAMETERS:---
REMARK 250 PARAMETERS THAT ARE TYPICALLY SAMPLED:
REMARK 250 Major radius (r0,Angstroms): 5.00000000
REMARK 250 Major twist (omega0,radians/residue): 0.20943951
REMARK 250 Rotation about z-axis (delta_omega0,radians): 3.14000000
REMARK 250 Roll about helix axis (delta_omega1,radians): 0.00000000
REMARK 250 Registry shift (delta_t,residues): 0.00000000
REMARK 250 Major axial offset (z0_offset,Angstroms): 0.00000000
REMARK 250 Minor axial offset (z1_offset,vert. Angstroms): 0.000000
REMARK 250 Lateral squash (epsilon,dimensionless): 1.00000000
REMARK 250 PARAMETERS THAT ARE NOT TYPICALLY SAMPLED:
REMARK 250 Residues/repeat (residues_per_repeat,dimensionless): 1
REMARK 250 Repeat unit offset (repeating_unit_offset,residues): 0
REMARK 250 Atoms/residue (atoms_per_residue,dimensionless):
REMARK 250 [3]
REMARK 250 Minor radius (r1_peratom,Angstroms):
REMARK 250 [1.53673520, 2.29431130, 1.73316244]
REMARK 250 Minor twist (omega1,radians/residue): 1.72180480
REMARK 250 Minor rise (z1,Angstroms/residue): 1.53104401
REMARK 250 Atom angular offset (delta_omega1_peratom,radians):
REMARK 250 [-0.46010617, 0.00000000, 0.48012932]
REMARK 250 Atom axial offset (delta_z1_peratom,Angstroms):
REMARK 250 [-0.90470326, 0.00000000, 1.05169636]
REMARK 250 Invert helix (invert,Boolean): FALSE
REMARK 250 Dihedrals set (set_dihedrals,Boolean): TRUE
REMARK 250 Nonideal bond angles (set_bondangles,Boolean): TRUE
REMARK 250 Nonideal bond lengths (set_bondlengths,Boolean): TRUE
REMARK 250 ----------------------------------------
ATOM 1 N ALA A 1 -2.394 -2.631 -11.699 1.00 0.00 N
ATOM 2 CA ALA A 1 -2.343 -2.211 -10.303 1.00 0.00 C
ATOM 3 C ALA A 1 -2.414 -3.409 -9.365 1.00 0.00 C
ATOM 4 O ALA A 1 -1.699 -3.470 -8.365 1.00 0.00 O
ATOM 5 CB ALA A 1 -3.471 -1.235 -10.002 1.00 0.00 C
ATOM 6 H ALA A 1 -2.900 -3.470 -11.942 1.00 0.00 H
ATOM 7 HA ALA A 1 -1.389 -1.711 -10.135 1.00 0.00 H
ATOM 8 1HB ALA A 1 -3.419 -0.931 -8.956 1.00 0.00 H
ATOM 9 2HB ALA A 1 -3.372 -0.357 -10.640 1.00 0.00 H
ATOM 10 3HB ALA A 1 -4.428 -1.717 -10.193 1.00 0.00 H
ATOM 11 N ALA A 2 -3.229 -4.314 -9.663 1.00 0.00 N
ATOM 12 CA ALA A 2 -3.278 -5.403 -8.695 1.00 0.00 C
ATOM 13 C ALA A 2 -1.957 -6.161 -8.650 1.00 0.00 C
ATOM 14 O ALA A 2 -1.487 -6.545 -7.580 1.00 0.00 O
ATOM 15 CB ALA A 2 -4.421 -6.353 -9.022 1.00 0.00 C
ATOM 16 H ALA A 2 -3.768 -4.231 -10.513 1.00 0.00 H
ATOM 17 HA ALA A 2 -3.449 -4.972 -7.709 1.00 0.00 H
ATOM 18 1HB ALA A 2 -4.445 -7.160 -8.291 1.00 0.00 H
ATOM 19 2HB ALA A 2 -5.365 -5.809 -8.993 1.00 0.00 H
ATOM 20 3HB ALA A 2 -4.274 -6.769 -10.017 1.00 0.00 H
ATOM 21 N ALA A 3 -1.290 -6.437 -9.603 1.00 0.00 N
ATOM 22 CA ALA A 3 0.013 -7.088 -9.642 1.00 0.00 C
ATOM 23 C ALA A 3 1.108 -6.161 -9.131 1.00 0.00 C
ATOM 24 O ALA A 3 1.988 -6.580 -8.378 1.00 0.00 O
ATOM 25 CB ALA A 3 0.331 -7.552 -11.056 1.00 0.00 C
ATOM 26 H ALA A 3 -1.633 -6.209 -10.526 1.00 0.00 H
ATOM 27 HA ALA A 3 -0.022 -7.958 -8.985 1.00 0.00 H
ATOM 28 1HB ALA A 3 1.308 -8.036 -11.070 1.00 0.00 H
ATOM 29 2HB ALA A 3 -0.429 -8.260 -11.387 1.00 0.00 H
ATOM 30 3HB ALA A 3 0.343 -6.694 -11.726 1.00 0.00 H
ATOM 31 N ALA A 4 1.029 -4.998 -9.528 1.00 0.00 N
ATOM 32 CA ALA A 4 1.955 -3.905 -9.258 1.00 0.00 C
ATOM 33 C ALA A 4 1.890 -3.476 -7.798 1.00 0.00 C
ATOM 34 O ALA A 4 2.918 -3.228 -7.167 1.00 0.00 O
ATOM 35 CB ALA A 4 1.659 -2.723 -10.170 1.00 0.00 C
ATOM 36 H ALA A 4 0.249 -4.729 -10.110 1.00 0.00 H
ATOM 37 HA ALA A 4 2.966 -4.260 -9.457 1.00 0.00 H
ATOM 38 1HB ALA A 4 2.358 -1.914 -9.957 1.00 0.00 H
ATOM 39 2HB ALA A 4 1.766 -3.030 -11.210 1.00 0.00 H
ATOM 40 3HB ALA A 4 0.641 -2.377 -9.998 1.00 0.00 H
ATOM 41 N ALA A 5 0.601 -3.456 -7.476 1.00 0.00 N
ATOM 42 CA ALA A 5 0.333 -2.884 -6.162 1.00 0.00 C
ATOM 43 C ALA A 5 0.980 -3.710 -5.059 1.00 0.00 C
ATOM 44 O ALA A 5 1.548 -3.164 -4.113 1.00 0.00 O
ATOM 45 CB ALA A 5 -1.167 -2.773 -5.929 1.00 0.00 C
ATOM 46 H ALA A 5 -0.075 -3.821 -8.132 1.00 0.00 H
ATOM 47 HA ALA A 5 0.769 -1.885 -6.132 1.00 0.00 H
ATOM 48 1HB ALA A 5 -1.352 -2.344 -4.944 1.00 0.00 H
ATOM 49 2HB ALA A 5 -1.608 -2.131 -6.693 1.00 0.00 H
ATOM 50 3HB ALA A 5 -1.618 -3.763 -5.984 1.00 0.00 H
ATOM 51 N ALA A 6 0.878 -4.970 -5.208 1.00 0.00 N
ATOM 52 CA ALA A 6 1.442 -5.704 -4.082 1.00 0.00 C
ATOM 53 C ALA A 6 2.943 -5.471 -3.968 1.00 0.00 C
ATOM 54 O ALA A 6 3.477 -5.325 -2.868 1.00 0.00 O
ATOM 55 CB ALA A 6 1.147 -7.190 -4.217 1.00 0.00 C
ATOM 56 H ALA A 6 0.442 -5.332 -6.044 1.00 0.00 H
ATOM 57 HA ALA A 6 0.977 -5.333 -3.169 1.00 0.00 H
ATOM 58 1HB ALA A 6 1.574 -7.725 -3.368 1.00 0.00 H
ATOM 59 2HB ALA A 6 0.068 -7.347 -4.238 1.00 0.00 H
ATOM 60 3HB ALA A 6 1.586 -7.566 -5.140 1.00 0.00 H
ATOM 61 N ALA A 7 3.701 -5.411 -4.892 1.00 0.00 N
ATOM 62 CA ALA A 7 5.127 -5.115 -4.831 1.00 0.00 C
ATOM 63 C ALA A 7 5.372 -3.654 -4.477 1.00 0.00 C
ATOM 64 O ALA A 7 6.251 -3.339 -3.675 1.00 0.00 O
ATOM 65 CB ALA A 7 5.796 -5.457 -6.154 1.00 0.00 C
ATOM 66 H ALA A 7 3.353 -5.577 -5.825 1.00 0.00 H
ATOM 67 HA ALA A 7 5.567 -5.728 -4.044 1.00 0.00 H
ATOM 68 1HB ALA A 7 6.861 -5.231 -6.093 1.00 0.00 H
ATOM 69 2HB ALA A 7 5.662 -6.518 -6.366 1.00 0.00 H
ATOM 70 3HB ALA A 7 5.345 -4.869 -6.952 1.00 0.00 H
ATOM 71 N ALA A 8 4.663 -2.823 -5.019 1.00 0.00 N
ATOM 72 CA ALA A 8 4.690 -1.370 -4.896 1.00 0.00 C
ATOM 73 C ALA A 8 4.202 -0.925 -3.523 1.00 0.00 C
ATOM 74 O ALA A 8 4.783 -0.032 -2.907 1.00 0.00 O
ATOM 75 CB ALA A 8 3.848 -0.730 -5.990 1.00 0.00 C
ATOM 76 H ALA A 8 3.940 -3.132 -5.653 1.00 0.00 H
ATOM 77 HA ALA A 8 5.723 -1.040 -5.007 1.00 0.00 H
ATOM 78 1HB ALA A 8 3.878 0.355 -5.884 1.00 0.00 H
ATOM 79 2HB ALA A 8 4.245 -1.011 -6.966 1.00 0.00 H
ATOM 80 3HB ALA A 8 2.819 -1.074 -5.904 1.00 0.00 H
ATOM 81 N ALA A 9 3.148 -1.666 -3.248 1.00 0.00 N
ATOM 82 CA ALA A 9 2.407 -1.285 -2.051 1.00 0.00 C
ATOM 83 C ALA A 9 3.262 -1.443 -0.800 1.00 0.00 C
ATOM 84 O ALA A 9 3.244 -0.590 0.087 1.00 0.00 O
ATOM 85 CB ALA A 9 1.135 -2.112 -1.930 1.00 0.00 C
ATOM 86 H ALA A 9 2.913 -2.435 -3.859 1.00 0.00 H
ATOM 87 HA ALA A 9 2.136 -0.233 -2.140 1.00 0.00 H
ATOM 88 1HB ALA A 9 0.593 -1.816 -1.031 1.00 0.00 H
ATOM 89 2HB ALA A 9 0.507 -1.944 -2.805 1.00 0.00 H
ATOM 90 3HB ALA A 9 1.393 -3.168 -1.866 1.00 0.00 H
ATOM 91 N ALA A 10 3.960 -2.529 -0.809 1.00 0.00 N
ATOM 92 CA ALA A 10 4.674 -2.702 0.450 1.00 0.00 C
ATOM 93 C ALA A 10 5.684 -1.582 0.668 1.00 0.00 C
ATOM 94 O ALA A 10 5.842 -1.084 1.783 1.00 0.00 O
ATOM 95 CB ALA A 10 5.370 -4.055 0.483 1.00 0.00 C
ATOM 96 H ALA A 10 3.946 -3.116 -1.631 1.00 0.00 H
ATOM 97 HA ALA A 10 3.947 -2.658 1.260 1.00 0.00 H
ATOM 98 1HB ALA A 10 5.899 -4.169 1.429 1.00 0.00 H
ATOM 99 2HB ALA A 10 4.628 -4.848 0.385 1.00 0.00 H
ATOM 100 3HB ALA A 10 6.080 -4.119 -0.339 1.00 0.00 H
ATOM 101 N ALA A 11 6.377 -1.117 -0.193 1.00 0.00 N
ATOM 102 CA ALA A 11 7.294 -0.000 -0.000 1.00 0.00 C
ATOM 103 C ALA A 11 6.537 1.303 0.220 1.00 0.00 C
ATOM 104 O ALA A 11 6.905 2.110 1.074 1.00 0.00 O
ATOM 105 CB ALA A 11 8.232 0.128 -1.192 1.00 0.00 C
ATOM 106 H ALA A 11 6.338 -1.510 -1.123 1.00 0.00 H
ATOM 107 HA ALA A 11 7.885 -0.198 0.894 1.00 0.00 H
ATOM 108 1HB ALA A 11 8.911 0.965 -1.032 1.00 0.00 H
ATOM 109 2HB ALA A 11 8.809 -0.791 -1.301 1.00 0.00 H
ATOM 110 3HB ALA A 11 7.650 0.299 -2.096 1.00 0.00 H
ATOM 111 N ALA A 12 5.562 1.545 -0.456 1.00 0.00 N
ATOM 112 CA ALA A 12 4.674 2.702 -0.450 1.00 0.00 C
ATOM 113 C ALA A 12 3.807 2.724 0.803 1.00 0.00 C
ATOM 114 O ALA A 12 3.616 3.773 1.418 1.00 0.00 O
ATOM 115 CB ALA A 12 3.802 2.707 -1.697 1.00 0.00 C
ATOM 116 H ALA A 12 5.268 0.875 -1.152 1.00 0.00 H
ATOM 117 HA ALA A 12 5.290 3.601 -0.446 1.00 0.00 H
ATOM 118 1HB ALA A 12 3.145 3.577 -1.677 1.00 0.00 H
ATOM 119 2HB ALA A 12 4.435 2.750 -2.583 1.00 0.00 H
ATOM 120 3HB ALA A 12 3.202 1.800 -1.724 1.00 0.00 H
ATOM 121 N ALA A 13 3.394 1.503 1.000 1.00 0.00 N
ATOM 122 CA ALA A 13 2.407 1.285 2.051 1.00 0.00 C
ATOM 123 C ALA A 13 2.978 1.621 3.422 1.00 0.00 C
ATOM 124 O ALA A 13 2.307 2.237 4.251 1.00 0.00 O
ATOM 125 CB ALA A 13 1.912 -0.154 2.022 1.00 0.00 C
ATOM 126 H ALA A 13 3.766 0.759 0.428 1.00 0.00 H
ATOM 127 HA ALA A 13 1.564 1.952 1.867 1.00 0.00 H
ATOM 128 1HB ALA A 13 1.175 -0.301 2.812 1.00 0.00 H
ATOM 129 2HB ALA A 13 1.453 -0.362 1.056 1.00 0.00 H
ATOM 130 3HB ALA A 13 2.751 -0.830 2.179 1.00 0.00 H
ATOM 131 N ALA A 14 4.201 1.172 3.537 1.00 0.00 N
ATOM 132 CA ALA A 14 4.690 1.370 4.896 1.00 0.00 C
ATOM 133 C ALA A 14 4.752 2.851 5.249 1.00 0.00 C
ATOM 134 O ALA A 14 4.410 3.248 6.363 1.00 0.00 O
ATOM 135 CB ALA A 14 6.059 0.729 5.065 1.00 0.00 C
ATOM 136 H ALA A 14 4.652 0.763 2.731 1.00 0.00 H
ATOM 137 HA ALA A 14 3.989 0.893 5.581 1.00 0.00 H
ATOM 138 1HB ALA A 14 6.411 0.885 6.085 1.00 0.00 H
ATOM 139 2HB ALA A 14 5.987 -0.341 4.866 1.00 0.00 H
ATOM 140 3HB ALA A 14 6.762 1.181 4.367 1.00 0.00 H
ATOM 141 N ALA A 15 5.129 3.700 4.480 1.00 0.00 N
ATOM 142 CA ALA A 15 5.127 5.115 4.831 1.00 0.00 C
ATOM 143 C ALA A 15 3.707 5.653 4.946 1.00 0.00 C
ATOM 144 O ALA A 15 3.396 6.425 5.853 1.00 0.00 O
ATOM 145 CB ALA A 15 5.915 5.917 3.805 1.00 0.00 C
ATOM 146 H ALA A 15 5.456 3.425 3.565 1.00 0.00 H
ATOM 147 HA ALA A 15 5.605 5.223 5.805 1.00 0.00 H
ATOM 148 1HB ALA A 15 5.904 6.971 4.081 1.00 0.00 H
ATOM 149 2HB ALA A 15 6.944 5.559 3.776 1.00 0.00 H
ATOM 150 3HB ALA A 15 5.461 5.795 2.823 1.00 0.00 H
ATOM 151 N ALA A 16 2.852 5.339 4.157 1.00 0.00 N
ATOM 152 CA ALA A 16 1.442 5.704 4.082 1.00 0.00 C
ATOM 153 C ALA A 16 0.639 5.030 5.187 1.00 0.00 C
ATOM 154 O ALA A 16 -0.215 5.655 5.815 1.00 0.00 O
ATOM 155 CB ALA A 16 0.873 5.340 2.718 1.00 0.00 C
ATOM 156 H ALA A 16 3.089 4.721 3.395 1.00 0.00 H
ATOM 157 HA ALA A 16 1.363 6.782 4.221 1.00 0.00 H
ATOM 158 1HB ALA A 16 -0.180 5.618 2.677 1.00 0.00 H
ATOM 159 2HB ALA A 16 1.420 5.875 1.941 1.00 0.00 H
ATOM 160 3HB ALA A 16 0.971 4.268 2.558 1.00 0.00 H
ATOM 161 N ALA A 17 1.034 3.808 5.280 1.00 0.00 N
ATOM 162 CA ALA A 17 0.333 2.884 6.162 1.00 0.00 C
ATOM 163 C ALA A 17 0.485 3.293 7.622 1.00 0.00 C
ATOM 164 O ALA A 17 -0.473 3.245 8.393 1.00 0.00 O
ATOM 165 CB ALA A 17 0.841 1.464 5.955 1.00 0.00 C
ATOM 166 H ALA A 17 1.829 3.505 4.735 1.00 0.00 H
ATOM 167 HA ALA A 17 -0.729 2.918 5.915 1.00 0.00 H
ATOM 168 1HB ALA A 17 0.308 0.786 6.621 1.00 0.00 H
ATOM 169 2HB ALA A 17 0.672 1.165 4.921 1.00 0.00 H
ATOM 170 3HB ALA A 17 1.907 1.424 6.174 1.00 0.00 H
ATOM 171 N ALA A 18 1.735 3.665 7.837 1.00 0.00 N
ATOM 172 CA ALA A 18 1.955 3.905 9.258 1.00 0.00 C
ATOM 173 C ALA A 18 1.074 5.038 9.768 1.00 0.00 C
ATOM 174 O ALA A 18 0.522 4.963 10.865 1.00 0.00 O
ATOM 175 CB ALA A 18 3.421 4.213 9.523 1.00 0.00 C
ATOM 176 H ALA A 18 2.367 3.741 7.053 1.00 0.00 H
ATOM 177 HA ALA A 18 1.681 3.000 9.800 1.00 0.00 H
ATOM 178 1HB ALA A 18 3.569 4.390 10.589 1.00 0.00 H
ATOM 179 2HB ALA A 18 4.033 3.369 9.207 1.00 0.00 H
ATOM 180 3HB ALA A 18 3.712 5.101 8.965 1.00 0.00 H
ATOM 181 N ALA A 19 0.889 6.048 9.116 1.00 0.00 N
ATOM 182 CA ALA A 19 0.013 7.088 9.642 1.00 0.00 C
ATOM 183 C ALA A 19 -1.435 6.619 9.687 1.00 0.00 C
ATOM 184 O ALA A 19 -2.156 6.892 10.647 1.00 0.00 O
ATOM 185 CB ALA A 19 0.133 8.354 8.806 1.00 0.00 C
ATOM 186 H ALA A 19 1.345 6.146 8.221 1.00 0.00 H
ATOM 187 HA ALA A 19 0.325 7.309 10.663 1.00 0.00 H
ATOM 188 1HB ALA A 19 -0.526 9.122 9.212 1.00 0.00 H
ATOM 189 2HB ALA A 19 1.163 8.710 8.831 1.00 0.00 H
ATOM 190 3HB ALA A 19 -0.151 8.139 7.778 1.00 0.00 H
ATOM 191 N ALA A 20 -1.941 5.974 8.812 1.00 0.00 N
ATOM 192 CA ALA A 20 -3.278 5.403 8.695 1.00 0.00 C
ATOM 193 C ALA A 20 -3.455 4.218 9.635 1.00 0.00 C
ATOM 194 O ALA A 20 -2.497 3.509 9.944 1.00 0.00 O
ATOM 195 CB ALA A 20 -3.551 4.984 7.258 1.00 0.00 C
ATOM 196 H ALA A 20 -1.401 5.754 7.987 1.00 0.00 H
ATOM 197 HA ALA A 20 -3.999 6.168 8.982 1.00 0.00 H
ATOM 198 1HB ALA A 20 -4.552 4.560 7.187 1.00 0.00 H
ATOM 199 2HB ALA A 20 -3.478 5.853 6.605 1.00 0.00 H
ATOM 200 3HB ALA A 20 -2.819 4.238 6.952 1.00 0.00 H
TER
ATOM 202 N ALA B 21 2.398 2.627 -11.699 1.00 0.00 N
ATOM 203 CA ALA B 21 2.346 2.207 -10.303 1.00 0.00 C
ATOM 204 C ALA B 21 2.420 3.405 -9.365 1.00 0.00 C
ATOM 205 O ALA B 21 1.705 3.467 -8.365 1.00 0.00 O
ATOM 206 CB ALA B 21 3.473 1.230 -10.002 1.00 0.00 C
ATOM 207 H ALA B 21 2.905 3.466 -11.942 1.00 0.00 H
ATOM 208 HA ALA B 21 1.392 1.709 -10.135 1.00 0.00 H
ATOM 209 1HB ALA B 21 3.421 0.926 -8.956 1.00 0.00 H
ATOM 210 2HB ALA B 21 3.373 0.352 -10.640 1.00 0.00 H
ATOM 211 3HB ALA B 21 4.431 1.709 -10.193 1.00 0.00 H
ATOM 212 N ALA B 22 3.236 4.309 -9.663 1.00 0.00 N
ATOM 213 CA ALA B 22 3.286 5.398 -8.695 1.00 0.00 C
ATOM 214 C ALA B 22 1.967 6.158 -8.650 1.00 0.00 C
ATOM 215 O ALA B 22 1.497 6.543 -7.580 1.00 0.00 O
ATOM 216 CB ALA B 22 4.431 6.346 -9.022 1.00 0.00 C
ATOM 217 H ALA B 22 3.775 4.225 -10.513 1.00 0.00 H
ATOM 218 HA ALA B 22 3.457 4.966 -7.709 1.00 0.00 H
ATOM 219 1HB ALA B 22 4.456 7.153 -8.291 1.00 0.00 H
ATOM 220 2HB ALA B 22 5.375 5.800 -8.993 1.00 0.00 H
ATOM 221 3HB ALA B 22 4.284 6.763 -10.017 1.00 0.00 H
ATOM 222 N ALA B 23 1.301 6.435 -9.603 1.00 0.00 N
ATOM 223 CA ALA B 23 -0.002 7.088 -9.642 1.00 0.00 C
ATOM 224 C ALA B 23 -1.098 6.163 -9.131 1.00 0.00 C
ATOM 225 O ALA B 23 -1.977 6.583 -8.378 1.00 0.00 O
ATOM 226 CB ALA B 23 -0.319 7.553 -11.056 1.00 0.00 C
ATOM 227 H ALA B 23 1.643 6.207 -10.526 1.00 0.00 H
ATOM 228 HA ALA B 23 0.035 7.958 -8.985 1.00 0.00 H
ATOM 229 1HB ALA B 23 -1.295 8.039 -11.070 1.00 0.00 H
ATOM 230 2HB ALA B 23 0.442 8.259 -11.387 1.00 0.00 H
ATOM 231 3HB ALA B 23 -0.333 6.694 -11.726 1.00 0.00 H
ATOM 232 N ALA B 24 -1.021 5.000 -9.528 1.00 0.00 N
ATOM 233 CA ALA B 24 -1.948 3.908 -9.258 1.00 0.00 C
ATOM 234 C ALA B 24 -1.884 3.479 -7.798 1.00 0.00 C
ATOM 235 O ALA B 24 -2.912 3.233 -7.167 1.00 0.00 O
ATOM 236 CB ALA B 24 -1.654 2.726 -10.170 1.00 0.00 C
ATOM 237 H ALA B 24 -0.241 4.730 -10.110 1.00 0.00 H
ATOM 238 HA ALA B 24 -2.959 4.264 -9.457 1.00 0.00 H
ATOM 239 1HB ALA B 24 -2.355 1.918 -9.957 1.00 0.00 H
ATOM 240 2HB ALA B 24 -1.761 3.033 -11.210 1.00 0.00 H
ATOM 241 3HB ALA B 24 -0.637 2.378 -9.998 1.00 0.00 H
ATOM 242 N ALA B 25 -0.596 3.457 -7.476 1.00 0.00 N
ATOM 243 CA ALA B 25 -0.328 2.884 -6.162 1.00 0.00 C
ATOM 244 C ALA B 25 -0.974 3.712 -5.059 1.00 0.00 C
ATOM 245 O ALA B 25 -1.543 3.166 -4.113 1.00 0.00 O
ATOM 246 CB ALA B 25 1.172 2.771 -5.929 1.00 0.00 C
ATOM 247 H ALA B 25 0.081 3.821 -8.132 1.00 0.00 H
ATOM 248 HA ALA B 25 -0.766 1.887 -6.132 1.00 0.00 H
ATOM 249 1HB ALA B 25 1.355 2.342 -4.944 1.00 0.00 H
ATOM 250 2HB ALA B 25 1.611 2.129 -6.693 1.00 0.00 H
ATOM 251 3HB ALA B 25 1.624 3.760 -5.984 1.00 0.00 H
ATOM 252 N ALA B 26 -0.871 4.971 -5.208 1.00 0.00 N
ATOM 253 CA ALA B 26 -1.433 5.706 -4.082 1.00 0.00 C
ATOM 254 C ALA B 26 -2.935 5.475 -3.968 1.00 0.00 C
ATOM 255 O ALA B 26 -3.469 5.331 -2.868 1.00 0.00 O
ATOM 256 CB ALA B 26 -1.135 7.192 -4.217 1.00 0.00 C
ATOM 257 H ALA B 26 -0.434 5.333 -6.044 1.00 0.00 H
ATOM 258 HA ALA B 26 -0.968 5.334 -3.169 1.00 0.00 H
ATOM 259 1HB ALA B 26 -1.562 7.727 -3.368 1.00 0.00 H
ATOM 260 2HB ALA B 26 -0.057 7.347 -4.238 1.00 0.00 H
ATOM 261 3HB ALA B 26 -1.574 7.568 -5.140 1.00 0.00 H
ATOM 262 N ALA B 27 -3.692 5.417 -4.892 1.00 0.00 N
ATOM 263 CA ALA B 27 -5.119 5.123 -4.831 1.00 0.00 C
ATOM 264 C ALA B 27 -5.366 3.663 -4.477 1.00 0.00 C
ATOM 265 O ALA B 27 -6.246 3.349 -3.675 1.00 0.00 O
ATOM 266 CB ALA B 27 -5.787 5.467 -6.154 1.00 0.00 C
ATOM 267 H ALA B 27 -3.344 5.582 -5.825 1.00 0.00 H
ATOM 268 HA ALA B 27 -5.558 5.737 -4.044 1.00 0.00 H
ATOM 269 1HB ALA B 27 -6.852 5.242 -6.093 1.00 0.00 H
ATOM 270 2HB ALA B 27 -5.652 6.527 -6.366 1.00 0.00 H
ATOM 271 3HB ALA B 27 -5.338 4.878 -6.952 1.00 0.00 H
ATOM 272 N ALA B 28 -4.659 2.830 -5.019 1.00 0.00 N
ATOM 273 CA ALA B 28 -4.688 1.378 -4.896 1.00 0.00 C
ATOM 274 C ALA B 28 -4.201 0.932 -3.523 1.00 0.00 C
ATOM 275 O ALA B 28 -4.783 0.039 -2.907 1.00 0.00 O
ATOM 276 CB ALA B 28 -3.847 0.736 -5.990 1.00 0.00 C
ATOM 277 H ALA B 28 -3.935 3.138 -5.653 1.00 0.00 H
ATOM 278 HA ALA B 28 -5.721 1.049 -5.007 1.00 0.00 H
ATOM 279 1HB ALA B 28 -3.879 -0.348 -5.884 1.00 0.00 H
ATOM 280 2HB ALA B 28 -4.243 1.017 -6.966 1.00 0.00 H
ATOM 281 3HB ALA B 28 -2.817 1.078 -5.904 1.00 0.00 H
ATOM 282 N ALA B 29 -3.145 1.671 -3.248 1.00 0.00 N
ATOM 283 CA ALA B 29 -2.405 1.289 -2.051 1.00 0.00 C
ATOM 284 C ALA B 29 -3.259 1.448 -0.800 1.00 0.00 C
ATOM 285 O ALA B 29 -3.243 0.595 0.087 1.00 0.00 O
ATOM 286 CB ALA B 29 -1.132 2.114 -1.930 1.00 0.00 C
ATOM 287 H ALA B 29 -2.909 2.439 -3.859 1.00 0.00 H
ATOM 288 HA ALA B 29 -2.136 0.236 -2.140 1.00 0.00 H
ATOM 289 1HB ALA B 29 -0.590 1.817 -1.031 1.00 0.00 H
ATOM 290 2HB ALA B 29 -0.504 1.944 -2.805 1.00 0.00 H
ATOM 291 3HB ALA B 29 -1.388 3.170 -1.866 1.00 0.00 H
ATOM 292 N ALA B 30 -3.956 2.536 -0.809 1.00 0.00 N
ATOM 293 CA ALA B 30 -4.670 2.709 0.450 1.00 0.00 C
ATOM 294 C ALA B 30 -5.682 1.591 0.668 1.00 0.00 C
ATOM 295 O ALA B 30 -5.840 1.094 1.783 1.00 0.00 O
ATOM 296 CB ALA B 30 -5.363 4.064 0.483 1.00 0.00 C
ATOM 297 H ALA B 30 -3.941 3.122 -1.631 1.00 0.00 H
ATOM 298 HA ALA B 30 -3.943 2.665 1.260 1.00 0.00 H
ATOM 299 1HB ALA B 30 -5.892 4.178 1.429 1.00 0.00 H
ATOM 300 2HB ALA B 30 -4.620 4.855 0.385 1.00 0.00 H
ATOM 301 3HB ALA B 30 -6.073 4.129 -0.339 1.00 0.00 H
ATOM 302 N ALA B 31 -6.375 1.127 -0.193 1.00 0.00 N
ATOM 303 CA ALA B 31 -7.294 0.012 -0.000 1.00 0.00 C
ATOM 304 C ALA B 31 -6.539 -1.293 0.220 1.00 0.00 C
ATOM 305 O ALA B 31 -6.909 -2.099 1.074 1.00 0.00 O
ATOM 306 CB ALA B 31 -8.232 -0.114 -1.192 1.00 0.00 C
ATOM 307 H ALA B 31 -6.335 1.520 -1.123 1.00 0.00 H
ATOM 308 HA ALA B 31 -7.885 0.211 0.894 1.00 0.00 H
ATOM 309 1HB ALA B 31 -8.912 -0.951 -1.032 1.00 0.00 H
ATOM 310 2HB ALA B 31 -8.808 0.805 -1.301 1.00 0.00 H
ATOM 311 3HB ALA B 31 -7.650 -0.287 -2.096 1.00 0.00 H
ATOM 312 N ALA B 32 -5.564 -1.536 -0.456 1.00 0.00 N
ATOM 313 CA ALA B 32 -4.679 -2.694 -0.450 1.00 0.00 C
ATOM 314 C ALA B 32 -3.812 -2.718 0.803 1.00 0.00 C
ATOM 315 O ALA B 32 -3.622 -3.767 1.418 1.00 0.00 O
ATOM 316 CB ALA B 32 -3.807 -2.701 -1.697 1.00 0.00 C
ATOM 317 H ALA B 32 -5.269 -0.867 -1.152 1.00 0.00 H
ATOM 318 HA ALA B 32 -5.296 -3.593 -0.446 1.00 0.00 H
ATOM 319 1HB ALA B 32 -3.151 -3.572 -1.677 1.00 0.00 H
ATOM 320 2HB ALA B 32 -4.440 -2.743 -2.583 1.00 0.00 H
ATOM 321 3HB ALA B 32 -3.205 -1.795 -1.724 1.00 0.00 H
ATOM 322 N ALA B 33 -3.396 -1.498 1.000 1.00 0.00 N
ATOM 323 CA ALA B 33 -2.409 -1.281 2.051 1.00 0.00 C
ATOM 324 C ALA B 33 -2.980 -1.617 3.422 1.00 0.00 C
ATOM 325 O ALA B 33 -2.311 -2.233 4.251 1.00 0.00 O
ATOM 326 CB ALA B 33 -1.912 0.157 2.022 1.00 0.00 C
ATOM 327 H ALA B 33 -3.767 -0.753 0.428 1.00 0.00 H
ATOM 328 HA ALA B 33 -1.567 -1.949 1.867 1.00 0.00 H
ATOM 329 1HB ALA B 33 -1.175 0.303 2.812 1.00 0.00 H
ATOM 330 2HB ALA B 33 -1.453 0.364 1.056 1.00 0.00 H
ATOM 331 3HB ALA B 33 -2.750 0.834 2.179 1.00 0.00 H
ATOM 332 N ALA B 34 -4.203 -1.166 3.537 1.00 0.00 N
ATOM 333 CA ALA B 34 -4.692 -1.363 4.896 1.00 0.00 C
ATOM 334 C ALA B 34 -4.757 -2.843 5.249 1.00 0.00 C
ATOM 335 O ALA B 34 -4.416 -3.241 6.363 1.00 0.00 O
ATOM 336 CB ALA B 34 -6.061 -0.719 5.065 1.00 0.00 C
ATOM 337 H ALA B 34 -4.654 -0.755 2.731 1.00 0.00 H
ATOM 338 HA ALA B 34 -3.991 -0.887 5.581 1.00 0.00 H
ATOM 339 1HB ALA B 34 -6.412 -0.875 6.085 1.00 0.00 H
ATOM 340 2HB ALA B 34 -5.987 0.350 4.866 1.00 0.00 H
ATOM 341 3HB ALA B 34 -6.763 -1.170 4.367 1.00 0.00 H
ATOM 342 N ALA B 35 -5.135 -3.692 4.480 1.00 0.00 N
ATOM 343 CA ALA B 35 -5.135 -5.107 4.831 1.00 0.00 C
ATOM 344 C ALA B 35 -3.716 -5.647 4.946 1.00 0.00 C
ATOM 345 O ALA B 35 -3.406 -6.419 5.853 1.00 0.00 O
ATOM 346 CB ALA B 35 -5.924 -5.907 3.805 1.00 0.00 C
ATOM 347 H ALA B 35 -5.461 -3.416 3.565 1.00 0.00 H
ATOM 348 HA ALA B 35 -5.613 -5.214 5.805 1.00 0.00 H
ATOM 349 1HB ALA B 35 -5.915 -6.962 4.081 1.00 0.00 H
ATOM 350 2HB ALA B 35 -6.953 -5.548 3.776 1.00 0.00 H
ATOM 351 3HB ALA B 35 -5.470 -5.786 2.823 1.00 0.00 H
ATOM 352 N ALA B 36 -2.861 -5.335 4.157 1.00 0.00 N
ATOM 353 CA ALA B 36 -1.451 -5.701 4.082 1.00 0.00 C
ATOM 354 C ALA B 36 -0.647 -5.029 5.187 1.00 0.00 C
ATOM 355 O ALA B 36 0.206 -5.655 5.815 1.00 0.00 O
ATOM 356 CB ALA B 36 -0.882 -5.339 2.718 1.00 0.00 C
ATOM 357 H ALA B 36 -3.097 -4.716 3.395 1.00 0.00 H
ATOM 358 HA ALA B 36 -1.374 -6.780 4.221 1.00 0.00 H
ATOM 359 1HB ALA B 36 0.171 -5.619 2.677 1.00 0.00 H
ATOM 360 2HB ALA B 36 -1.429 -5.872 1.941 1.00 0.00 H
ATOM 361 3HB ALA B 36 -0.978 -4.266 2.558 1.00 0.00 H
ATOM 362 N ALA B 37 -1.040 -3.807 5.280 1.00 0.00 N
ATOM 363 CA ALA B 37 -0.337 -2.883 6.162 1.00 0.00 C
ATOM 364 C ALA B 37 -0.490 -3.292 7.622 1.00 0.00 C
ATOM 365 O ALA B 37 0.468 -3.245 8.393 1.00 0.00 O
ATOM 366 CB ALA B 37 -0.843 -1.463 5.955 1.00 0.00 C
ATOM 367 H ALA B 37 -1.834 -3.502 4.735 1.00 0.00 H
ATOM 368 HA ALA B 37 0.724 -2.919 5.915 1.00 0.00 H
ATOM 369 1HB ALA B 37 -0.309 -0.785 6.621 1.00 0.00 H
ATOM 370 2HB ALA B 37 -0.674 -1.164 4.921 1.00 0.00 H
ATOM 371 3HB ALA B 37 -1.909 -1.421 6.174 1.00 0.00 H
ATOM 372 N ALA B 38 -1.741 -3.662 7.837 1.00 0.00 N
ATOM 373 CA ALA B 38 -1.961 -3.902 9.258 1.00 0.00 C
ATOM 374 C ALA B 38 -1.082 -5.037 9.768 1.00 0.00 C
ATOM 375 O ALA B 38 -0.529 -4.962 10.865 1.00 0.00 O
ATOM 376 CB ALA B 38 -3.428 -4.208 9.523 1.00 0.00 C
ATOM 377 H ALA B 38 -2.373 -3.737 7.053 1.00 0.00 H
ATOM 378 HA ALA B 38 -1.685 -2.997 9.800 1.00 0.00 H
ATOM 379 1HB ALA B 38 -3.576 -4.384 10.589 1.00 0.00 H
ATOM 380 2HB ALA B 38 -4.039 -3.362 9.207 1.00 0.00 H
ATOM 381 3HB ALA B 38 -3.720 -5.096 8.965 1.00 0.00 H
ATOM 382 N ALA B 39 -0.898 -6.046 9.116 1.00 0.00 N
ATOM 383 CA ALA B 39 -0.025 -7.088 9.642 1.00 0.00 C
ATOM 384 C ALA B 39 1.425 -6.622 9.687 1.00 0.00 C
ATOM 385 O ALA B 39 2.145 -6.895 10.647 1.00 0.00 O
ATOM 386 CB ALA B 39 -0.147 -8.354 8.806 1.00 0.00 C
ATOM 387 H ALA B 39 -1.355 -6.144 8.221 1.00 0.00 H
ATOM 388 HA ALA B 39 -0.337 -7.308 10.663 1.00 0.00 H
ATOM 389 1HB ALA B 39 0.511 -9.123 9.212 1.00 0.00 H
ATOM 390 2HB ALA B 39 -1.177 -8.709 8.831 1.00 0.00 H
ATOM 391 3HB ALA B 39 0.138 -8.139 7.778 1.00 0.00 H
ATOM 392 N ALA B 40 1.932 -5.977 8.812 1.00 0.00 N
ATOM 393 CA ALA B 40 3.269 -5.408 8.695 1.00 0.00 C
ATOM 394 C ALA B 40 3.448 -4.224 9.635 1.00 0.00 C
ATOM 395 O ALA B 40 2.491 -3.513 9.944 1.00 0.00 O
ATOM 396 CB ALA B 40 3.543 -4.989 7.258 1.00 0.00 C
ATOM 397 H ALA B 40 1.392 -5.757 7.987 1.00 0.00 H
ATOM 398 HA ALA B 40 3.989 -6.175 8.982 1.00 0.00 H
ATOM 399 1HB ALA B 40 4.545 -4.567 7.187 1.00 0.00 H
ATOM 400 2HB ALA B 40 3.468 -5.859 6.605 1.00 0.00 H
ATOM 401 3HB ALA B 40 2.812 -4.243 6.952 1.00 0.00 H
TER