USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 417 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 THR OG1 : rot -87:sc= 1.28 USER MOD Set 1.2: A 56 SER OG : rot -114:sc= 0.936 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -147:sc= 0.381 USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.78 USER MOD Single : A 23 ASN : amide:sc= -0.0668 K(o=-0.067,f=-1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 1.24 (180deg=1.24) USER MOD Single : A 46 SER OG : rot -74:sc= 1.3 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -61:sc= 1.17 USER MOD Single : A 53 ASN : amide:sc=-0.00709 K(o=-0.0071,f=-1.2) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.158 K(o=-0.16,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 11 N PRO A 2 -3.038 -3.677 -11.064 1.00 1.00 N ATOM 12 CA PRO A 2 -4.174 -2.853 -10.618 1.00 1.00 C ATOM 13 C PRO A 2 -3.693 -1.821 -9.619 1.00 1.00 C ATOM 14 O PRO A 2 -2.533 -1.808 -9.206 1.00 1.00 O ATOM 15 CB PRO A 2 -5.084 -3.891 -9.938 1.00 1.00 C ATOM 16 CG PRO A 2 -4.147 -4.827 -9.305 1.00 1.00 C ATOM 17 CD PRO A 2 -2.964 -4.900 -10.244 1.00 1.00 C ATOM 0 HA PRO A 2 -4.671 -2.301 -11.416 1.00 1.00 H new ATOM 0 HB2 PRO A 2 -5.740 -3.425 -9.203 1.00 1.00 H new ATOM 0 HB3 PRO A 2 -5.724 -4.396 -10.662 1.00 1.00 H new ATOM 0 HG2 PRO A 2 -3.845 -4.475 -8.318 1.00 1.00 H new ATOM 0 HG3 PRO A 2 -4.602 -5.808 -9.168 1.00 1.00 H new ATOM 0 HD2 PRO A 2 -2.026 -4.946 -9.691 1.00 1.00 H new ATOM 0 HD3 PRO A 2 -3.011 -5.794 -10.866 1.00 1.00 H new ATOM 25 N TRP A 3 -4.575 -0.902 -9.281 1.00 1.00 N ATOM 26 CA TRP A 3 -4.379 0.038 -8.189 1.00 1.00 C ATOM 27 C TRP A 3 -5.403 -0.232 -7.086 1.00 1.00 C ATOM 28 O TRP A 3 -6.382 -0.938 -7.275 1.00 1.00 O ATOM 29 CB TRP A 3 -4.449 1.483 -8.682 1.00 1.00 C ATOM 30 CG TRP A 3 -5.744 1.904 -9.343 1.00 1.00 C ATOM 31 CD1 TRP A 3 -6.034 1.853 -10.673 1.00 1.00 C ATOM 32 CD2 TRP A 3 -6.882 2.487 -8.713 1.00 1.00 C ATOM 33 NE1 TRP A 3 -7.285 2.360 -10.898 1.00 1.00 N ATOM 34 CE2 TRP A 3 -7.824 2.770 -9.718 1.00 1.00 C ATOM 35 CE3 TRP A 3 -7.186 2.841 -7.403 1.00 1.00 C ATOM 36 CZ2 TRP A 3 -9.070 3.341 -9.442 1.00 1.00 C ATOM 37 CZ3 TRP A 3 -8.412 3.416 -7.145 1.00 1.00 C ATOM 38 CH2 TRP A 3 -9.333 3.653 -8.158 1.00 1.00 C ATOM 0 H TRP A 3 -5.465 -0.783 -9.765 1.00 1.00 H new ATOM 0 HA TRP A 3 -3.381 -0.106 -7.776 1.00 1.00 H new ATOM 0 HB2 TRP A 3 -4.267 2.143 -7.834 1.00 1.00 H new ATOM 0 HB3 TRP A 3 -3.636 1.643 -9.390 1.00 1.00 H new ATOM 0 HD1 TRP A 3 -5.374 1.469 -11.437 1.00 1.00 H new ATOM 0 HE1 TRP A 3 -7.742 2.421 -11.808 1.00 1.00 H new ATOM 0 HE3 TRP A 3 -6.478 2.669 -6.606 1.00 1.00 H new ATOM 0 HZ2 TRP A 3 -9.791 3.524 -10.225 1.00 1.00 H new ATOM 0 HZ3 TRP A 3 -8.663 3.689 -6.131 1.00 1.00 H new ATOM 0 HH2 TRP A 3 -10.285 4.099 -7.910 1.00 1.00 H new ATOM 49 N ALA A 4 -5.148 0.344 -5.927 1.00 1.00 N ATOM 50 CA ALA A 4 -5.972 0.141 -4.759 1.00 1.00 C ATOM 51 C ALA A 4 -6.084 1.406 -3.932 1.00 1.00 C ATOM 52 O ALA A 4 -5.292 2.340 -4.078 1.00 1.00 O ATOM 53 CB ALA A 4 -5.360 -0.971 -3.902 1.00 1.00 C ATOM 0 H ALA A 4 -4.357 0.969 -5.772 1.00 1.00 H new ATOM 0 HA ALA A 4 -6.973 -0.137 -5.090 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -5.977 -1.130 -3.018 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -5.312 -1.893 -4.482 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -4.354 -0.683 -3.596 1.00 1.00 H new ATOM 59 N THR A 5 -7.061 1.415 -3.044 1.00 1.00 N ATOM 60 CA THR A 5 -7.311 2.527 -2.136 1.00 1.00 C ATOM 61 C THR A 5 -7.065 2.044 -0.712 1.00 1.00 C ATOM 62 O THR A 5 -7.471 0.943 -0.345 1.00 1.00 O ATOM 63 CB THR A 5 -8.765 3.020 -2.260 1.00 1.00 C ATOM 64 OG1 THR A 5 -9.628 1.877 -2.343 1.00 1.00 O ATOM 65 CG2 THR A 5 -8.960 3.814 -3.530 1.00 1.00 C ATOM 0 H THR A 5 -7.714 0.640 -2.929 1.00 1.00 H new ATOM 0 HA THR A 5 -6.646 3.354 -2.387 1.00 1.00 H new ATOM 0 HB THR A 5 -8.990 3.645 -1.396 1.00 1.00 H new ATOM 0 HG1 THR A 5 -9.706 1.593 -3.278 1.00 1.00 H new ATOM 0 HG21 THR A 5 -9.995 4.150 -3.593 1.00 1.00 H new ATOM 0 HG22 THR A 5 -8.297 4.679 -3.524 1.00 1.00 H new ATOM 0 HG23 THR A 5 -8.729 3.186 -4.391 1.00 1.00 H new ATOM 73 N ALA A 6 -6.351 2.839 0.070 1.00 1.00 N ATOM 74 CA ALA A 6 -6.064 2.466 1.442 1.00 1.00 C ATOM 75 C ALA A 6 -7.322 2.526 2.283 1.00 1.00 C ATOM 76 O ALA A 6 -8.128 3.459 2.190 1.00 1.00 O ATOM 77 CB ALA A 6 -5.025 3.414 2.017 1.00 1.00 C ATOM 0 H ALA A 6 -5.964 3.737 -0.220 1.00 1.00 H new ATOM 0 HA ALA A 6 -5.682 1.445 1.455 1.00 1.00 H new ATOM 0 HB1 ALA A 6 -4.809 3.135 3.048 1.00 1.00 H new ATOM 0 HB2 ALA A 6 -4.111 3.355 1.426 1.00 1.00 H new ATOM 0 HB3 ALA A 6 -5.409 4.434 1.990 1.00 1.00 H new ATOM 83 N GLU A 7 -7.485 1.519 3.130 1.00 1.00 N ATOM 84 CA GLU A 7 -8.638 1.465 4.023 1.00 1.00 C ATOM 85 C GLU A 7 -8.257 1.831 5.450 1.00 1.00 C ATOM 86 O GLU A 7 -9.119 2.278 6.214 1.00 1.00 O ATOM 87 CB GLU A 7 -9.194 0.054 4.027 1.00 1.00 C ATOM 88 CG GLU A 7 -9.709 -0.416 2.679 1.00 1.00 C ATOM 89 CD GLU A 7 -10.836 0.455 2.158 1.00 1.00 C ATOM 90 OE1 GLU A 7 -11.825 0.650 2.898 1.00 1.00 O ATOM 91 OE2 GLU A 7 -10.726 0.968 1.015 1.00 1.00 O ATOM 0 H GLU A 7 -6.840 0.734 3.219 1.00 1.00 H new ATOM 0 HA GLU A 7 -9.377 2.181 3.663 1.00 1.00 H new ATOM 0 HB2 GLU A 7 -8.416 -0.630 4.365 1.00 1.00 H new ATOM 0 HB3 GLU A 7 -10.005 -0.003 4.753 1.00 1.00 H new ATOM 0 HG2 GLU A 7 -8.890 -0.416 1.960 1.00 1.00 H new ATOM 0 HG3 GLU A 7 -10.058 -1.445 2.765 1.00 1.00 H new ATOM 98 N TYR A 8 -6.989 1.638 5.812 1.00 1.00 N ATOM 99 CA TYR A 8 -6.494 1.919 7.156 1.00 1.00 C ATOM 100 C TYR A 8 -5.139 2.566 6.995 1.00 1.00 C ATOM 101 O TYR A 8 -4.397 2.213 6.077 1.00 1.00 O ATOM 102 CB TYR A 8 -6.351 0.629 7.987 1.00 1.00 C ATOM 103 CG TYR A 8 -7.641 -0.138 8.124 1.00 1.00 C ATOM 104 CD1 TYR A 8 -8.553 0.246 9.082 1.00 1.00 C ATOM 105 CD2 TYR A 8 -7.985 -1.174 7.264 1.00 1.00 C ATOM 106 CE1 TYR A 8 -9.762 -0.405 9.248 1.00 1.00 C ATOM 107 CE2 TYR A 8 -9.220 -1.830 7.405 1.00 1.00 C ATOM 108 CZ TYR A 8 -10.097 -1.414 8.397 1.00 1.00 C ATOM 109 OH TYR A 8 -11.318 -2.051 8.584 1.00 1.00 O ATOM 0 H TYR A 8 -6.275 1.281 5.177 1.00 1.00 H new ATOM 0 HA TYR A 8 -7.195 2.567 7.682 1.00 1.00 H new ATOM 0 HB2 TYR A 8 -5.602 -0.013 7.523 1.00 1.00 H new ATOM 0 HB3 TYR A 8 -5.981 0.884 8.980 1.00 1.00 H new ATOM 0 HD1 TYR A 8 -8.317 1.082 9.724 1.00 1.00 H new ATOM 0 HD2 TYR A 8 -7.301 -1.476 6.485 1.00 1.00 H new ATOM 0 HE1 TYR A 8 -10.433 -0.116 10.044 1.00 1.00 H new ATOM 0 HE2 TYR A 8 -9.483 -2.647 6.750 1.00 1.00 H new ATOM 0 HH TYR A 8 -11.430 -2.750 7.906 1.00 1.00 H new ATOM 119 N ASP A 9 -4.779 3.453 7.904 1.00 1.00 N ATOM 120 CA ASP A 9 -3.468 4.077 7.890 1.00 1.00 C ATOM 121 C ASP A 9 -2.414 3.024 8.229 1.00 1.00 C ATOM 122 O ASP A 9 -2.621 2.236 9.163 1.00 1.00 O ATOM 123 CB ASP A 9 -3.327 5.165 8.977 1.00 1.00 C ATOM 124 CG ASP A 9 -4.132 6.410 8.754 1.00 1.00 C ATOM 125 OD1 ASP A 9 -4.706 6.546 7.647 1.00 1.00 O ATOM 126 OD2 ASP A 9 -4.235 7.298 9.619 1.00 1.00 O ATOM 0 H ASP A 9 -5.382 3.760 8.668 1.00 1.00 H new ATOM 0 HA ASP A 9 -3.339 4.515 6.900 1.00 1.00 H new ATOM 0 HB2 ASP A 9 -3.615 4.735 9.936 1.00 1.00 H new ATOM 0 HB3 ASP A 9 -2.276 5.442 9.054 1.00 1.00 H new ATOM 131 N TYR A 10 -1.288 3.025 7.524 1.00 1.00 N ATOM 132 CA TYR A 10 -0.193 2.105 7.811 1.00 1.00 C ATOM 133 C TYR A 10 1.063 2.923 7.977 1.00 1.00 C ATOM 134 O TYR A 10 1.425 3.709 7.093 1.00 1.00 O ATOM 135 CB TYR A 10 0.040 1.043 6.725 1.00 1.00 C ATOM 136 CG TYR A 10 1.217 0.177 7.098 1.00 1.00 C ATOM 137 CD1 TYR A 10 1.100 -0.877 7.990 1.00 1.00 C ATOM 138 CD2 TYR A 10 2.437 0.351 6.474 1.00 1.00 C ATOM 139 CE1 TYR A 10 2.176 -1.704 8.255 1.00 1.00 C ATOM 140 CE2 TYR A 10 3.501 -0.472 6.717 1.00 1.00 C ATOM 141 CZ TYR A 10 3.357 -1.505 7.614 1.00 1.00 C ATOM 142 OH TYR A 10 4.453 -2.329 7.820 1.00 1.00 O ATOM 0 H TYR A 10 -1.109 3.658 6.744 1.00 1.00 H new ATOM 0 HA TYR A 10 -0.459 1.556 8.714 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -0.852 0.428 6.608 1.00 1.00 H new ATOM 0 HB3 TYR A 10 0.222 1.526 5.765 1.00 1.00 H new ATOM 0 HD1 TYR A 10 0.156 -1.055 8.484 1.00 1.00 H new ATOM 0 HD2 TYR A 10 2.554 1.163 5.772 1.00 1.00 H new ATOM 0 HE1 TYR A 10 2.078 -2.507 8.971 1.00 1.00 H new ATOM 0 HE2 TYR A 10 4.442 -0.313 6.212 1.00 1.00 H new ATOM 0 HH TYR A 10 5.277 -1.805 7.736 1.00 1.00 H new ATOM 152 N ASP A 11 1.692 2.754 9.126 1.00 1.00 N ATOM 153 CA ASP A 11 2.921 3.461 9.430 1.00 1.00 C ATOM 154 C ASP A 11 4.124 2.569 9.192 1.00 1.00 C ATOM 155 O ASP A 11 4.315 1.581 9.913 1.00 1.00 O ATOM 156 CB ASP A 11 2.936 3.879 10.899 1.00 1.00 C ATOM 157 CG ASP A 11 4.028 4.864 11.230 1.00 1.00 C ATOM 158 OD1 ASP A 11 3.963 6.018 10.797 1.00 1.00 O ATOM 159 OD2 ASP A 11 5.031 4.524 11.894 1.00 1.00 O ATOM 0 H ASP A 11 1.370 2.130 9.866 1.00 1.00 H new ATOM 0 HA ASP A 11 2.969 4.335 8.781 1.00 1.00 H new ATOM 0 HB2 ASP A 11 1.971 4.318 11.154 1.00 1.00 H new ATOM 0 HB3 ASP A 11 3.057 2.992 11.520 1.00 1.00 H new ATOM 164 N ALA A 12 4.947 2.897 8.215 1.00 1.00 N ATOM 165 CA ALA A 12 6.127 2.088 7.982 1.00 1.00 C ATOM 166 C ALA A 12 7.027 2.075 9.203 1.00 1.00 C ATOM 167 O ALA A 12 7.326 3.104 9.788 1.00 1.00 O ATOM 168 CB ALA A 12 6.918 2.639 6.818 1.00 1.00 C ATOM 0 H ALA A 12 4.827 3.692 7.587 1.00 1.00 H new ATOM 0 HA ALA A 12 5.791 1.074 7.765 1.00 1.00 H new ATOM 0 HB1 ALA A 12 7.801 2.022 6.654 1.00 1.00 H new ATOM 0 HB2 ALA A 12 6.299 2.632 5.921 1.00 1.00 H new ATOM 0 HB3 ALA A 12 7.225 3.661 7.038 1.00 1.00 H new ATOM 174 N ALA A 13 7.531 0.892 9.519 1.00 1.00 N ATOM 175 CA ALA A 13 8.486 0.712 10.598 1.00 1.00 C ATOM 176 C ALA A 13 9.877 0.467 10.037 1.00 1.00 C ATOM 177 O ALA A 13 10.832 0.334 10.790 1.00 1.00 O ATOM 178 CB ALA A 13 8.076 -0.459 11.497 1.00 1.00 C ATOM 0 H ALA A 13 7.288 0.029 9.033 1.00 1.00 H new ATOM 0 HA ALA A 13 8.497 1.624 11.196 1.00 1.00 H new ATOM 0 HB1 ALA A 13 8.806 -0.575 12.298 1.00 1.00 H new ATOM 0 HB2 ALA A 13 7.094 -0.261 11.926 1.00 1.00 H new ATOM 0 HB3 ALA A 13 8.036 -1.374 10.907 1.00 1.00 H new ATOM 184 N GLU A 14 9.996 0.353 8.717 1.00 1.00 N ATOM 185 CA GLU A 14 11.279 0.087 8.076 1.00 1.00 C ATOM 186 C GLU A 14 11.445 1.056 6.928 1.00 1.00 C ATOM 187 O GLU A 14 10.454 1.579 6.404 1.00 1.00 O ATOM 188 CB GLU A 14 11.378 -1.351 7.529 1.00 1.00 C ATOM 189 CG GLU A 14 11.366 -2.449 8.558 1.00 1.00 C ATOM 190 CD GLU A 14 11.339 -3.860 7.972 1.00 1.00 C ATOM 191 OE1 GLU A 14 11.352 -3.968 6.732 1.00 1.00 O ATOM 192 OE2 GLU A 14 11.324 -4.836 8.749 1.00 1.00 O ATOM 0 H GLU A 14 9.214 0.441 8.068 1.00 1.00 H new ATOM 0 HA GLU A 14 12.062 0.208 8.825 1.00 1.00 H new ATOM 0 HB2 GLU A 14 10.548 -1.515 6.841 1.00 1.00 H new ATOM 0 HB3 GLU A 14 12.296 -1.435 6.947 1.00 1.00 H new ATOM 0 HG2 GLU A 14 12.248 -2.348 9.191 1.00 1.00 H new ATOM 0 HG3 GLU A 14 10.496 -2.319 9.201 1.00 1.00 H new ATOM 199 N ASP A 15 12.675 1.222 6.451 1.00 1.00 N ATOM 200 CA ASP A 15 12.948 2.112 5.335 1.00 1.00 C ATOM 201 C ASP A 15 12.349 1.651 4.022 1.00 1.00 C ATOM 202 O ASP A 15 11.967 2.480 3.210 1.00 1.00 O ATOM 203 CB ASP A 15 14.445 2.291 5.132 1.00 1.00 C ATOM 204 CG ASP A 15 15.025 3.351 6.017 1.00 1.00 C ATOM 205 OD1 ASP A 15 14.297 4.017 6.780 1.00 1.00 O ATOM 206 OD2 ASP A 15 16.263 3.541 6.058 1.00 1.00 O ATOM 0 H ASP A 15 13.498 0.749 6.823 1.00 1.00 H new ATOM 0 HA ASP A 15 12.475 3.055 5.609 1.00 1.00 H new ATOM 0 HB2 ASP A 15 14.950 1.345 5.327 1.00 1.00 H new ATOM 0 HB3 ASP A 15 14.638 2.547 4.090 1.00 1.00 H new ATOM 211 N ASN A 16 12.247 0.334 3.829 1.00 1.00 N ATOM 212 CA ASN A 16 11.695 -0.213 2.586 1.00 1.00 C ATOM 213 C ASN A 16 10.175 -0.392 2.594 1.00 1.00 C ATOM 214 O ASN A 16 9.626 -0.934 1.638 1.00 1.00 O ATOM 215 CB ASN A 16 12.397 -1.537 2.214 1.00 1.00 C ATOM 216 CG ASN A 16 13.831 -1.348 1.802 1.00 1.00 C ATOM 217 OD1 ASN A 16 14.255 -0.284 1.444 1.00 1.00 O ATOM 218 ND2 ASN A 16 14.611 -2.431 1.866 1.00 1.00 N ATOM 0 H ASN A 16 12.536 -0.368 4.510 1.00 1.00 H new ATOM 0 HA ASN A 16 11.897 0.538 1.822 1.00 1.00 H new ATOM 0 HB2 ASN A 16 12.356 -2.215 3.066 1.00 1.00 H new ATOM 0 HB3 ASN A 16 11.851 -2.015 1.400 1.00 1.00 H new ATOM 0 HD21 ASN A 16 15.595 -2.367 1.607 1.00 1.00 H new ATOM 0 HD22 ASN A 16 14.222 -3.322 2.174 1.00 1.00 H new ATOM 225 N GLU A 17 9.495 0.105 3.630 1.00 1.00 N ATOM 226 CA GLU A 17 8.046 -0.016 3.742 1.00 1.00 C ATOM 227 C GLU A 17 7.325 1.252 3.342 1.00 1.00 C ATOM 228 O GLU A 17 7.767 2.366 3.649 1.00 1.00 O ATOM 229 CB GLU A 17 7.669 -0.347 5.187 1.00 1.00 C ATOM 230 CG GLU A 17 8.120 -1.735 5.577 1.00 1.00 C ATOM 231 CD GLU A 17 7.867 -2.086 7.017 1.00 1.00 C ATOM 232 OE1 GLU A 17 7.271 -1.261 7.733 1.00 1.00 O ATOM 233 OE2 GLU A 17 8.258 -3.202 7.429 1.00 1.00 O ATOM 0 H GLU A 17 9.933 0.599 4.408 1.00 1.00 H new ATOM 0 HA GLU A 17 7.741 -0.811 3.061 1.00 1.00 H new ATOM 0 HB2 GLU A 17 8.120 0.384 5.858 1.00 1.00 H new ATOM 0 HB3 GLU A 17 6.589 -0.267 5.309 1.00 1.00 H new ATOM 0 HG2 GLU A 17 7.611 -2.461 4.943 1.00 1.00 H new ATOM 0 HG3 GLU A 17 9.187 -1.828 5.375 1.00 1.00 H new ATOM 240 N LEU A 18 6.209 1.088 2.629 1.00 1.00 N ATOM 241 CA LEU A 18 5.372 2.214 2.221 1.00 1.00 C ATOM 242 C LEU A 18 4.579 2.740 3.404 1.00 1.00 C ATOM 243 O LEU A 18 3.981 1.981 4.173 1.00 1.00 O ATOM 244 CB LEU A 18 4.348 1.764 1.182 1.00 1.00 C ATOM 245 CG LEU A 18 3.781 2.810 0.233 1.00 1.00 C ATOM 246 CD1 LEU A 18 4.878 3.497 -0.572 1.00 1.00 C ATOM 247 CD2 LEU A 18 2.825 2.136 -0.691 1.00 1.00 C ATOM 0 H LEU A 18 5.864 0.179 2.321 1.00 1.00 H new ATOM 0 HA LEU A 18 6.034 2.981 1.818 1.00 1.00 H new ATOM 0 HB2 LEU A 18 4.807 0.981 0.579 1.00 1.00 H new ATOM 0 HB3 LEU A 18 3.512 1.308 1.713 1.00 1.00 H new ATOM 0 HG LEU A 18 3.277 3.579 0.819 1.00 1.00 H new ATOM 0 HD11 LEU A 18 4.432 4.236 -1.237 1.00 1.00 H new ATOM 0 HD12 LEU A 18 5.572 3.992 0.107 1.00 1.00 H new ATOM 0 HD13 LEU A 18 5.415 2.755 -1.162 1.00 1.00 H new ATOM 0 HD21 LEU A 18 2.407 2.870 -1.380 1.00 1.00 H new ATOM 0 HD22 LEU A 18 3.348 1.364 -1.256 1.00 1.00 H new ATOM 0 HD23 LEU A 18 2.020 1.681 -0.113 1.00 1.00 H new ATOM 259 N THR A 19 4.569 4.049 3.521 1.00 1.00 N ATOM 260 CA THR A 19 3.825 4.794 4.523 1.00 1.00 C ATOM 261 C THR A 19 2.715 5.516 3.769 1.00 1.00 C ATOM 262 O THR A 19 2.993 6.183 2.787 1.00 1.00 O ATOM 263 CB THR A 19 4.728 5.820 5.224 1.00 1.00 C ATOM 264 OG1 THR A 19 5.784 5.129 5.884 1.00 1.00 O ATOM 265 CG2 THR A 19 3.980 6.622 6.296 1.00 1.00 C ATOM 0 H THR A 19 5.101 4.654 2.895 1.00 1.00 H new ATOM 0 HA THR A 19 3.433 4.129 5.292 1.00 1.00 H new ATOM 0 HB THR A 19 5.091 6.504 4.457 1.00 1.00 H new ATOM 0 HG1 THR A 19 6.367 5.776 6.333 1.00 1.00 H new ATOM 0 HG21 THR A 19 4.663 7.333 6.761 1.00 1.00 H new ATOM 0 HG22 THR A 19 3.153 7.162 5.835 1.00 1.00 H new ATOM 0 HG23 THR A 19 3.592 5.942 7.055 1.00 1.00 H new ATOM 273 N PHE A 20 1.477 5.364 4.238 1.00 1.00 N ATOM 274 CA PHE A 20 0.344 5.994 3.596 1.00 1.00 C ATOM 275 C PHE A 20 -0.776 6.171 4.582 1.00 1.00 C ATOM 276 O PHE A 20 -0.718 5.617 5.670 1.00 1.00 O ATOM 277 CB PHE A 20 -0.096 5.222 2.352 1.00 1.00 C ATOM 278 CG PHE A 20 -0.393 3.759 2.577 1.00 1.00 C ATOM 279 CD1 PHE A 20 -1.574 3.330 3.168 1.00 1.00 C ATOM 280 CD2 PHE A 20 0.490 2.803 2.115 1.00 1.00 C ATOM 281 CE1 PHE A 20 -1.846 1.986 3.310 1.00 1.00 C ATOM 282 CE2 PHE A 20 0.215 1.456 2.254 1.00 1.00 C ATOM 283 CZ PHE A 20 -0.946 1.052 2.861 1.00 1.00 C ATOM 0 H PHE A 20 1.242 4.808 5.061 1.00 1.00 H new ATOM 0 HA PHE A 20 0.645 6.984 3.252 1.00 1.00 H new ATOM 0 HB2 PHE A 20 -0.987 5.699 1.944 1.00 1.00 H new ATOM 0 HB3 PHE A 20 0.685 5.306 1.596 1.00 1.00 H new ATOM 0 HD1 PHE A 20 -2.289 4.059 3.521 1.00 1.00 H new ATOM 0 HD2 PHE A 20 1.408 3.112 1.638 1.00 1.00 H new ATOM 0 HE1 PHE A 20 -2.768 1.668 3.775 1.00 1.00 H new ATOM 0 HE2 PHE A 20 0.915 0.721 1.884 1.00 1.00 H new ATOM 0 HZ PHE A 20 -1.152 -0.001 2.986 1.00 1.00 H new ATOM 293 N VAL A 21 -1.798 6.932 4.194 1.00 1.00 N ATOM 294 CA VAL A 21 -2.966 7.141 5.034 1.00 1.00 C ATOM 295 C VAL A 21 -4.210 6.653 4.315 1.00 1.00 C ATOM 296 O VAL A 21 -4.213 6.496 3.097 1.00 1.00 O ATOM 297 CB VAL A 21 -3.131 8.621 5.456 1.00 1.00 C ATOM 298 CG1 VAL A 21 -2.000 9.019 6.396 1.00 1.00 C ATOM 299 CG2 VAL A 21 -3.192 9.531 4.252 1.00 1.00 C ATOM 0 H VAL A 21 -1.836 7.415 3.296 1.00 1.00 H new ATOM 0 HA VAL A 21 -2.822 6.565 5.948 1.00 1.00 H new ATOM 0 HB VAL A 21 -4.077 8.729 5.986 1.00 1.00 H new ATOM 0 HG11 VAL A 21 -2.121 10.062 6.690 1.00 1.00 H new ATOM 0 HG12 VAL A 21 -2.025 8.387 7.283 1.00 1.00 H new ATOM 0 HG13 VAL A 21 -1.044 8.894 5.888 1.00 1.00 H new ATOM 0 HG21 VAL A 21 -3.308 10.563 4.582 1.00 1.00 H new ATOM 0 HG22 VAL A 21 -2.271 9.435 3.677 1.00 1.00 H new ATOM 0 HG23 VAL A 21 -4.041 9.252 3.628 1.00 1.00 H new ATOM 309 N GLU A 22 -5.264 6.414 5.082 1.00 1.00 N ATOM 310 CA GLU A 22 -6.547 6.010 4.565 1.00 1.00 C ATOM 311 C GLU A 22 -6.901 6.908 3.385 1.00 1.00 C ATOM 312 O GLU A 22 -6.739 8.132 3.435 1.00 1.00 O ATOM 313 CB GLU A 22 -7.616 6.163 5.667 1.00 1.00 C ATOM 314 CG GLU A 22 -8.949 5.503 5.283 1.00 1.00 C ATOM 315 CD GLU A 22 -10.082 5.739 6.270 1.00 1.00 C ATOM 316 OE1 GLU A 22 -9.813 6.302 7.343 1.00 1.00 O ATOM 317 OE2 GLU A 22 -11.237 5.353 5.973 1.00 1.00 O ATOM 0 H GLU A 22 -5.243 6.499 6.098 1.00 1.00 H new ATOM 0 HA GLU A 22 -6.510 4.969 4.244 1.00 1.00 H new ATOM 0 HB2 GLU A 22 -7.247 5.720 6.592 1.00 1.00 H new ATOM 0 HB3 GLU A 22 -7.781 7.222 5.865 1.00 1.00 H new ATOM 0 HG2 GLU A 22 -9.254 5.874 4.305 1.00 1.00 H new ATOM 0 HG3 GLU A 22 -8.791 4.429 5.181 1.00 1.00 H new ATOM 324 N ASN A 23 -7.415 6.289 2.335 1.00 1.00 N ATOM 325 CA ASN A 23 -7.825 6.942 1.102 1.00 1.00 C ATOM 326 C ASN A 23 -6.736 7.274 0.116 1.00 1.00 C ATOM 327 O ASN A 23 -7.043 7.592 -1.017 1.00 1.00 O ATOM 328 CB ASN A 23 -8.748 8.110 1.337 1.00 1.00 C ATOM 329 CG ASN A 23 -10.059 7.660 1.909 1.00 1.00 C ATOM 330 OD1 ASN A 23 -10.582 6.594 1.543 1.00 1.00 O ATOM 331 ND2 ASN A 23 -10.577 8.430 2.856 1.00 1.00 N ATOM 0 H ASN A 23 -7.564 5.280 2.317 1.00 1.00 H new ATOM 0 HA ASN A 23 -8.390 6.156 0.600 1.00 1.00 H new ATOM 0 HB2 ASN A 23 -8.276 8.819 2.017 1.00 1.00 H new ATOM 0 HB3 ASN A 23 -8.920 8.636 0.398 1.00 1.00 H new ATOM 0 HD21 ASN A 23 -11.443 8.156 3.319 1.00 1.00 H new ATOM 0 HD22 ASN A 23 -10.109 9.297 3.121 1.00 1.00 H new ATOM 338 N ASP A 24 -5.480 7.124 0.493 1.00 1.00 N ATOM 339 CA ASP A 24 -4.419 7.246 -0.499 1.00 1.00 C ATOM 340 C ASP A 24 -4.521 6.088 -1.481 1.00 1.00 C ATOM 341 O ASP A 24 -4.906 4.987 -1.112 1.00 1.00 O ATOM 342 CB ASP A 24 -3.037 7.176 0.154 1.00 1.00 C ATOM 343 CG ASP A 24 -2.644 8.405 0.894 1.00 1.00 C ATOM 344 OD1 ASP A 24 -3.306 9.463 0.749 1.00 1.00 O ATOM 345 OD2 ASP A 24 -1.619 8.338 1.634 1.00 1.00 O ATOM 0 H ASP A 24 -5.172 6.924 1.445 1.00 1.00 H new ATOM 0 HA ASP A 24 -4.536 8.208 -0.998 1.00 1.00 H new ATOM 0 HB2 ASP A 24 -3.016 6.330 0.841 1.00 1.00 H new ATOM 0 HB3 ASP A 24 -2.293 6.978 -0.618 1.00 1.00 H new ATOM 350 N LYS A 25 -4.156 6.328 -2.726 1.00 1.00 N ATOM 351 CA LYS A 25 -4.118 5.297 -3.743 1.00 1.00 C ATOM 352 C LYS A 25 -2.711 4.721 -3.910 1.00 1.00 C ATOM 353 O LYS A 25 -1.717 5.439 -3.814 1.00 1.00 O ATOM 354 CB LYS A 25 -4.609 5.850 -5.070 1.00 1.00 C ATOM 355 CG LYS A 25 -6.088 6.168 -5.059 1.00 1.00 C ATOM 356 CD LYS A 25 -6.506 6.701 -6.437 1.00 1.00 C ATOM 357 CE LYS A 25 -8.005 6.981 -6.519 1.00 1.00 C ATOM 358 NZ LYS A 25 -8.384 7.544 -7.867 1.00 1.00 N ATOM 0 H LYS A 25 -3.876 7.250 -3.061 1.00 1.00 H new ATOM 0 HA LYS A 25 -4.776 4.491 -3.419 1.00 1.00 H new ATOM 0 HB2 LYS A 25 -4.049 6.753 -5.312 1.00 1.00 H new ATOM 0 HB3 LYS A 25 -4.403 5.127 -5.859 1.00 1.00 H new ATOM 0 HG2 LYS A 25 -6.661 5.274 -4.813 1.00 1.00 H new ATOM 0 HG3 LYS A 25 -6.306 6.908 -4.289 1.00 1.00 H new ATOM 0 HD2 LYS A 25 -5.955 7.617 -6.652 1.00 1.00 H new ATOM 0 HD3 LYS A 25 -6.231 5.976 -7.203 1.00 1.00 H new ATOM 0 HE2 LYS A 25 -8.560 6.060 -6.338 1.00 1.00 H new ATOM 0 HE3 LYS A 25 -8.289 7.684 -5.736 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 -9.408 7.724 -7.893 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 -7.872 8.435 -8.028 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 -8.134 6.862 -8.611 1.00 1.00 H new ATOM 372 N ILE A 26 -2.647 3.412 -4.082 1.00 1.00 N ATOM 373 CA ILE A 26 -1.400 2.690 -4.298 1.00 1.00 C ATOM 374 C ILE A 26 -1.566 2.086 -5.687 1.00 1.00 C ATOM 375 O ILE A 26 -2.536 1.374 -5.949 1.00 1.00 O ATOM 376 CB ILE A 26 -1.196 1.589 -3.255 1.00 1.00 C ATOM 377 CG1 ILE A 26 -1.015 2.167 -1.871 1.00 1.00 C ATOM 378 CG2 ILE A 26 0.062 0.804 -3.626 1.00 1.00 C ATOM 379 CD1 ILE A 26 -2.269 2.481 -1.057 1.00 1.00 C ATOM 0 H ILE A 26 -3.470 2.810 -4.076 1.00 1.00 H new ATOM 0 HA ILE A 26 -0.529 3.340 -4.212 1.00 1.00 H new ATOM 0 HB ILE A 26 -2.078 0.948 -3.246 1.00 1.00 H new ATOM 0 HG12 ILE A 26 -0.408 1.469 -1.294 1.00 1.00 H new ATOM 0 HG13 ILE A 26 -0.439 3.087 -1.966 1.00 1.00 H new ATOM 0 HG21 ILE A 26 0.226 0.013 -2.894 1.00 1.00 H new ATOM 0 HG22 ILE A 26 -0.063 0.363 -4.615 1.00 1.00 H new ATOM 0 HG23 ILE A 26 0.921 1.475 -3.634 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -1.981 2.889 -0.088 1.00 1.00 H new ATOM 0 HD12 ILE A 26 -2.877 3.211 -1.592 1.00 1.00 H new ATOM 0 HD13 ILE A 26 -2.845 1.568 -0.910 1.00 1.00 H new ATOM 391 N ILE A 27 -0.627 2.363 -6.574 1.00 1.00 N ATOM 392 CA ILE A 27 -0.735 1.999 -7.974 1.00 1.00 C ATOM 393 C ILE A 27 0.331 0.992 -8.386 1.00 1.00 C ATOM 394 O ILE A 27 1.315 0.755 -7.668 1.00 1.00 O ATOM 395 CB ILE A 27 -0.692 3.261 -8.884 1.00 1.00 C ATOM 396 CG1 ILE A 27 0.705 3.854 -8.952 1.00 1.00 C ATOM 397 CG2 ILE A 27 -1.699 4.302 -8.402 1.00 1.00 C ATOM 398 CD1 ILE A 27 0.812 4.958 -10.013 1.00 1.00 C ATOM 0 H ILE A 27 0.238 2.850 -6.341 1.00 1.00 H new ATOM 0 HA ILE A 27 -1.703 1.515 -8.107 1.00 1.00 H new ATOM 0 HB ILE A 27 -0.966 2.953 -9.893 1.00 1.00 H new ATOM 0 HG12 ILE A 27 0.973 4.261 -7.977 1.00 1.00 H new ATOM 0 HG13 ILE A 27 1.423 3.065 -9.177 1.00 1.00 H new ATOM 0 HG21 ILE A 27 -1.655 5.178 -9.050 1.00 1.00 H new ATOM 0 HG22 ILE A 27 -2.703 3.878 -8.432 1.00 1.00 H new ATOM 0 HG23 ILE A 27 -1.459 4.595 -7.380 1.00 1.00 H new ATOM 0 HD11 ILE A 27 1.828 5.353 -10.026 1.00 1.00 H new ATOM 0 HD12 ILE A 27 0.570 4.546 -10.993 1.00 1.00 H new ATOM 0 HD13 ILE A 27 0.114 5.761 -9.775 1.00 1.00 H new ATOM 410 N ASN A 28 0.141 0.386 -9.546 1.00 1.00 N ATOM 411 CA ASN A 28 1.085 -0.589 -10.099 1.00 1.00 C ATOM 412 C ASN A 28 1.420 -1.662 -9.080 1.00 1.00 C ATOM 413 O ASN A 28 2.584 -2.002 -8.848 1.00 1.00 O ATOM 414 CB ASN A 28 2.351 0.072 -10.609 1.00 1.00 C ATOM 415 CG ASN A 28 2.068 1.080 -11.728 1.00 1.00 C ATOM 416 OD1 ASN A 28 1.192 0.852 -12.558 1.00 1.00 O ATOM 417 ND2 ASN A 28 2.693 2.253 -11.654 1.00 1.00 N ATOM 0 H ASN A 28 -0.673 0.552 -10.138 1.00 1.00 H new ATOM 0 HA ASN A 28 0.593 -1.060 -10.950 1.00 1.00 H new ATOM 0 HB2 ASN A 28 2.852 0.579 -9.784 1.00 1.00 H new ATOM 0 HB3 ASN A 28 3.036 -0.693 -10.976 1.00 1.00 H new ATOM 0 HD21 ASN A 28 2.449 3.002 -12.302 1.00 1.00 H new ATOM 0 HD22 ASN A 28 3.415 2.402 -10.950 1.00 1.00 H new ATOM 424 N ILE A 29 0.385 -2.243 -8.508 1.00 1.00 N ATOM 425 CA ILE A 29 0.585 -3.267 -7.506 1.00 1.00 C ATOM 426 C ILE A 29 1.136 -4.539 -8.133 1.00 1.00 C ATOM 427 O ILE A 29 0.630 -5.030 -9.140 1.00 1.00 O ATOM 428 CB ILE A 29 -0.720 -3.534 -6.767 1.00 1.00 C ATOM 429 CG1 ILE A 29 -1.120 -2.250 -6.049 1.00 1.00 C ATOM 430 CG2 ILE A 29 -0.602 -4.702 -5.781 1.00 1.00 C ATOM 431 CD1 ILE A 29 -2.503 -2.236 -5.479 1.00 1.00 C ATOM 0 H ILE A 29 -0.590 -2.027 -8.717 1.00 1.00 H new ATOM 0 HA ILE A 29 1.322 -2.914 -6.785 1.00 1.00 H new ATOM 0 HB ILE A 29 -1.486 -3.826 -7.485 1.00 1.00 H new ATOM 0 HG12 ILE A 29 -0.411 -2.070 -5.241 1.00 1.00 H new ATOM 0 HG13 ILE A 29 -1.025 -1.419 -6.748 1.00 1.00 H new ATOM 0 HG21 ILE A 29 -1.558 -4.853 -5.279 1.00 1.00 H new ATOM 0 HG22 ILE A 29 -0.329 -5.608 -6.322 1.00 1.00 H new ATOM 0 HG23 ILE A 29 0.165 -4.477 -5.040 1.00 1.00 H new ATOM 0 HD11 ILE A 29 -2.686 -1.279 -4.991 1.00 1.00 H new ATOM 0 HD12 ILE A 29 -3.228 -2.379 -6.280 1.00 1.00 H new ATOM 0 HD13 ILE A 29 -2.604 -3.040 -4.750 1.00 1.00 H new ATOM 443 N GLU A 30 2.196 -5.040 -7.517 1.00 1.00 N ATOM 444 CA GLU A 30 2.866 -6.253 -7.924 1.00 1.00 C ATOM 445 C GLU A 30 2.736 -7.240 -6.779 1.00 1.00 C ATOM 446 O GLU A 30 3.112 -6.950 -5.644 1.00 1.00 O ATOM 447 CB GLU A 30 4.323 -5.945 -8.308 1.00 1.00 C ATOM 448 CG GLU A 30 4.328 -5.123 -9.603 1.00 1.00 C ATOM 449 CD GLU A 30 5.676 -4.601 -10.104 1.00 1.00 C ATOM 450 OE1 GLU A 30 6.684 -4.920 -9.455 1.00 1.00 O ATOM 451 OE2 GLU A 30 5.740 -3.790 -11.053 1.00 1.00 O ATOM 0 H GLU A 30 2.620 -4.599 -6.701 1.00 1.00 H new ATOM 0 HA GLU A 30 2.416 -6.694 -8.814 1.00 1.00 H new ATOM 0 HB2 GLU A 30 4.816 -5.392 -7.508 1.00 1.00 H new ATOM 0 HB3 GLU A 30 4.881 -6.871 -8.446 1.00 1.00 H new ATOM 0 HG2 GLU A 30 3.890 -5.735 -10.392 1.00 1.00 H new ATOM 0 HG3 GLU A 30 3.668 -4.267 -9.461 1.00 1.00 H new ATOM 458 N PHE A 31 2.158 -8.401 -7.078 1.00 1.00 N ATOM 459 CA PHE A 31 1.874 -9.415 -6.076 1.00 1.00 C ATOM 460 C PHE A 31 3.161 -10.148 -5.729 1.00 1.00 C ATOM 461 O PHE A 31 3.366 -11.301 -6.104 1.00 1.00 O ATOM 462 CB PHE A 31 0.791 -10.357 -6.603 1.00 1.00 C ATOM 463 CG PHE A 31 -0.540 -9.667 -6.801 1.00 1.00 C ATOM 464 CD1 PHE A 31 -1.411 -9.478 -5.749 1.00 1.00 C ATOM 465 CD2 PHE A 31 -0.888 -9.179 -8.029 1.00 1.00 C ATOM 466 CE1 PHE A 31 -2.616 -8.844 -5.946 1.00 1.00 C ATOM 467 CE2 PHE A 31 -2.116 -8.529 -8.229 1.00 1.00 C ATOM 468 CZ PHE A 31 -2.961 -8.365 -7.172 1.00 1.00 C ATOM 0 H PHE A 31 1.875 -8.661 -8.023 1.00 1.00 H new ATOM 0 HA PHE A 31 1.496 -8.960 -5.161 1.00 1.00 H new ATOM 0 HB2 PHE A 31 1.118 -10.785 -7.551 1.00 1.00 H new ATOM 0 HB3 PHE A 31 0.666 -11.185 -5.906 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -1.145 -9.830 -4.763 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -0.207 -9.295 -8.859 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -3.297 -8.725 -5.116 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -2.388 -8.163 -9.208 1.00 1.00 H new ATOM 0 HZ PHE A 31 -3.903 -7.855 -7.308 1.00 1.00 H new ATOM 478 N VAL A 32 3.999 -9.508 -4.932 1.00 1.00 N ATOM 479 CA VAL A 32 5.269 -10.112 -4.530 1.00 1.00 C ATOM 480 C VAL A 32 5.113 -11.351 -3.675 1.00 1.00 C ATOM 481 O VAL A 32 5.769 -12.340 -3.944 1.00 1.00 O ATOM 482 CB VAL A 32 6.186 -9.105 -3.792 1.00 1.00 C ATOM 483 CG1 VAL A 32 7.449 -9.792 -3.295 1.00 1.00 C ATOM 484 CG2 VAL A 32 6.529 -7.919 -4.673 1.00 1.00 C ATOM 0 H VAL A 32 3.830 -8.577 -4.550 1.00 1.00 H new ATOM 0 HA VAL A 32 5.734 -10.411 -5.469 1.00 1.00 H new ATOM 0 HB VAL A 32 5.637 -8.727 -2.929 1.00 1.00 H new ATOM 0 HG11 VAL A 32 8.079 -9.067 -2.780 1.00 1.00 H new ATOM 0 HG12 VAL A 32 7.180 -10.593 -2.607 1.00 1.00 H new ATOM 0 HG13 VAL A 32 7.994 -10.209 -4.142 1.00 1.00 H new ATOM 0 HG21 VAL A 32 7.173 -7.232 -4.124 1.00 1.00 H new ATOM 0 HG22 VAL A 32 7.047 -8.267 -5.566 1.00 1.00 H new ATOM 0 HG23 VAL A 32 5.613 -7.404 -4.962 1.00 1.00 H new ATOM 494 N ASP A 33 4.237 -11.312 -2.682 1.00 1.00 N ATOM 495 CA ASP A 33 3.977 -12.439 -1.796 1.00 1.00 C ATOM 496 C ASP A 33 2.461 -12.542 -1.648 1.00 1.00 C ATOM 497 O ASP A 33 1.740 -11.723 -2.190 1.00 1.00 O ATOM 498 CB ASP A 33 4.678 -12.183 -0.459 1.00 1.00 C ATOM 499 CG ASP A 33 6.164 -12.059 -0.594 1.00 1.00 C ATOM 500 OD1 ASP A 33 6.766 -12.930 -1.276 1.00 1.00 O ATOM 501 OD2 ASP A 33 6.795 -11.110 -0.053 1.00 1.00 O ATOM 0 H ASP A 33 3.679 -10.486 -2.465 1.00 1.00 H new ATOM 0 HA ASP A 33 4.362 -13.381 -2.187 1.00 1.00 H new ATOM 0 HB2 ASP A 33 4.281 -11.270 -0.016 1.00 1.00 H new ATOM 0 HB3 ASP A 33 4.447 -12.997 0.228 1.00 1.00 H new ATOM 506 N ASP A 34 1.976 -13.557 -0.915 1.00 1.00 N ATOM 507 CA ASP A 34 0.546 -13.746 -0.705 1.00 1.00 C ATOM 508 C ASP A 34 -0.031 -12.682 0.219 1.00 1.00 C ATOM 509 O ASP A 34 -1.200 -12.338 0.131 1.00 1.00 O ATOM 510 CB ASP A 34 0.247 -15.100 -0.036 1.00 1.00 C ATOM 511 CG ASP A 34 0.925 -15.274 1.288 1.00 1.00 C ATOM 512 OD1 ASP A 34 1.970 -14.657 1.546 1.00 1.00 O ATOM 513 OD2 ASP A 34 0.472 -16.070 2.136 1.00 1.00 O ATOM 0 H ASP A 34 2.562 -14.257 -0.460 1.00 1.00 H new ATOM 0 HA ASP A 34 0.096 -13.690 -1.696 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -0.830 -15.199 0.100 1.00 1.00 H new ATOM 0 HB3 ASP A 34 0.559 -15.903 -0.704 1.00 1.00 H new ATOM 518 N ASP A 35 0.791 -12.184 1.136 1.00 1.00 N ATOM 519 CA ASP A 35 0.363 -11.209 2.140 1.00 1.00 C ATOM 520 C ASP A 35 0.947 -9.816 1.971 1.00 1.00 C ATOM 521 O ASP A 35 0.351 -8.825 2.412 1.00 1.00 O ATOM 522 CB ASP A 35 0.719 -11.745 3.536 1.00 1.00 C ATOM 523 CG ASP A 35 2.188 -12.029 3.660 1.00 1.00 C ATOM 524 OD1 ASP A 35 2.976 -12.102 2.687 1.00 1.00 O ATOM 525 OD2 ASP A 35 2.614 -12.256 4.809 1.00 1.00 O ATOM 0 H ASP A 35 1.775 -12.444 1.207 1.00 1.00 H new ATOM 0 HA ASP A 35 -0.713 -11.092 2.009 1.00 1.00 H new ATOM 0 HB2 ASP A 35 0.423 -11.018 4.292 1.00 1.00 H new ATOM 0 HB3 ASP A 35 0.154 -12.656 3.732 1.00 1.00 H new ATOM 530 N TRP A 36 2.128 -9.751 1.385 1.00 1.00 N ATOM 531 CA TRP A 36 2.822 -8.499 1.191 1.00 1.00 C ATOM 532 C TRP A 36 2.852 -8.217 -0.297 1.00 1.00 C ATOM 533 O TRP A 36 3.268 -9.077 -1.077 1.00 1.00 O ATOM 534 CB TRP A 36 4.245 -8.601 1.716 1.00 1.00 C ATOM 535 CG TRP A 36 4.352 -8.327 3.173 1.00 1.00 C ATOM 536 CD1 TRP A 36 4.324 -9.234 4.188 1.00 1.00 C ATOM 537 CD2 TRP A 36 4.447 -7.042 3.780 1.00 1.00 C ATOM 538 NE1 TRP A 36 4.418 -8.585 5.397 1.00 1.00 N ATOM 539 CE2 TRP A 36 4.508 -7.234 5.175 1.00 1.00 C ATOM 540 CE3 TRP A 36 4.550 -5.748 3.287 1.00 1.00 C ATOM 541 CZ2 TRP A 36 4.630 -6.165 6.076 1.00 1.00 C ATOM 542 CZ3 TRP A 36 4.688 -4.706 4.180 1.00 1.00 C ATOM 543 CH2 TRP A 36 4.731 -4.918 5.549 1.00 1.00 C ATOM 0 H TRP A 36 2.630 -10.566 1.032 1.00 1.00 H new ATOM 0 HA TRP A 36 2.313 -7.699 1.729 1.00 1.00 H new ATOM 0 HB2 TRP A 36 4.630 -9.600 1.511 1.00 1.00 H new ATOM 0 HB3 TRP A 36 4.877 -7.898 1.173 1.00 1.00 H new ATOM 0 HD1 TRP A 36 4.240 -10.303 4.063 1.00 1.00 H new ATOM 0 HE1 TRP A 36 4.420 -9.036 6.312 1.00 1.00 H new ATOM 0 HE3 TRP A 36 4.523 -5.561 2.224 1.00 1.00 H new ATOM 0 HZ2 TRP A 36 4.643 -6.328 7.144 1.00 1.00 H new ATOM 0 HZ3 TRP A 36 4.765 -3.697 3.802 1.00 1.00 H new ATOM 0 HH2 TRP A 36 4.847 -4.073 6.211 1.00 1.00 H new ATOM 554 N TRP A 37 2.419 -7.018 -0.680 1.00 1.00 N ATOM 555 CA TRP A 37 2.392 -6.597 -2.055 1.00 1.00 C ATOM 556 C TRP A 37 3.322 -5.413 -2.204 1.00 1.00 C ATOM 557 O TRP A 37 3.614 -4.712 -1.247 1.00 1.00 O ATOM 558 CB TRP A 37 0.996 -6.219 -2.519 1.00 1.00 C ATOM 559 CG TRP A 37 -0.023 -7.320 -2.358 1.00 1.00 C ATOM 560 CD1 TRP A 37 0.229 -8.620 -2.044 1.00 1.00 C ATOM 561 CD2 TRP A 37 -1.445 -7.220 -2.520 1.00 1.00 C ATOM 562 NE1 TRP A 37 -0.943 -9.340 -2.010 1.00 1.00 N ATOM 563 CE2 TRP A 37 -1.985 -8.503 -2.290 1.00 1.00 C ATOM 564 CE3 TRP A 37 -2.310 -6.180 -2.823 1.00 1.00 C ATOM 565 CZ2 TRP A 37 -3.340 -8.768 -2.369 1.00 1.00 C ATOM 566 CZ3 TRP A 37 -3.673 -6.463 -2.916 1.00 1.00 C ATOM 567 CH2 TRP A 37 -4.162 -7.739 -2.677 1.00 1.00 C ATOM 0 H TRP A 37 2.076 -6.313 -0.028 1.00 1.00 H new ATOM 0 HA TRP A 37 2.714 -7.431 -2.678 1.00 1.00 H new ATOM 0 HB2 TRP A 37 0.663 -5.345 -1.960 1.00 1.00 H new ATOM 0 HB3 TRP A 37 1.039 -5.929 -3.569 1.00 1.00 H new ATOM 0 HD1 TRP A 37 1.210 -9.028 -1.849 1.00 1.00 H new ATOM 0 HE1 TRP A 37 -1.021 -10.337 -1.808 1.00 1.00 H new ATOM 0 HE3 TRP A 37 -1.939 -5.178 -2.983 1.00 1.00 H new ATOM 0 HZ2 TRP A 37 -3.728 -9.760 -2.191 1.00 1.00 H new ATOM 0 HZ3 TRP A 37 -4.361 -5.673 -3.179 1.00 1.00 H new ATOM 0 HH2 TRP A 37 -5.226 -7.915 -2.738 1.00 1.00 H new ATOM 578 N LEU A 38 3.792 -5.216 -3.418 1.00 1.00 N ATOM 579 CA LEU A 38 4.661 -4.116 -3.750 1.00 1.00 C ATOM 580 C LEU A 38 3.852 -3.085 -4.551 1.00 1.00 C ATOM 581 O LEU A 38 3.238 -3.444 -5.555 1.00 1.00 O ATOM 582 CB LEU A 38 5.785 -4.616 -4.613 1.00 1.00 C ATOM 583 CG LEU A 38 6.968 -3.767 -5.105 1.00 1.00 C ATOM 584 CD1 LEU A 38 7.776 -3.226 -3.935 1.00 1.00 C ATOM 585 CD2 LEU A 38 7.874 -4.501 -6.052 1.00 1.00 C ATOM 0 H LEU A 38 3.577 -5.824 -4.208 1.00 1.00 H new ATOM 0 HA LEU A 38 5.062 -3.669 -2.840 1.00 1.00 H new ATOM 0 HB2 LEU A 38 6.224 -5.456 -4.075 1.00 1.00 H new ATOM 0 HB3 LEU A 38 5.316 -5.022 -5.509 1.00 1.00 H new ATOM 0 HG LEU A 38 6.527 -2.938 -5.660 1.00 1.00 H new ATOM 0 HD11 LEU A 38 8.607 -2.629 -4.312 1.00 1.00 H new ATOM 0 HD12 LEU A 38 7.137 -2.604 -3.308 1.00 1.00 H new ATOM 0 HD13 LEU A 38 8.164 -4.057 -3.346 1.00 1.00 H new ATOM 0 HD21 LEU A 38 8.687 -3.844 -6.360 1.00 1.00 H new ATOM 0 HD22 LEU A 38 8.286 -5.379 -5.555 1.00 1.00 H new ATOM 0 HD23 LEU A 38 7.307 -4.813 -6.929 1.00 1.00 H new ATOM 597 N GLY A 39 3.878 -1.830 -4.142 1.00 1.00 N ATOM 598 CA GLY A 39 3.172 -0.821 -4.886 1.00 1.00 C ATOM 599 C GLY A 39 3.833 0.532 -4.768 1.00 1.00 C ATOM 600 O GLY A 39 4.765 0.717 -3.979 1.00 1.00 O ATOM 0 H GLY A 39 4.372 -1.496 -3.314 1.00 1.00 H new ATOM 0 HA2 GLY A 39 3.124 -1.111 -5.936 1.00 1.00 H new ATOM 0 HA3 GLY A 39 2.145 -0.756 -4.526 1.00 1.00 H new ATOM 604 N GLU A 40 3.324 1.464 -5.550 1.00 1.00 N ATOM 605 CA GLU A 40 3.821 2.824 -5.615 1.00 1.00 C ATOM 606 C GLU A 40 2.705 3.785 -5.241 1.00 1.00 C ATOM 607 O GLU A 40 1.563 3.613 -5.652 1.00 1.00 O ATOM 608 CB GLU A 40 4.292 3.107 -7.032 1.00 1.00 C ATOM 609 CG GLU A 40 4.839 4.508 -7.242 1.00 1.00 C ATOM 610 CD GLU A 40 5.252 4.805 -8.674 1.00 1.00 C ATOM 611 OE1 GLU A 40 4.838 4.038 -9.573 1.00 1.00 O ATOM 612 OE2 GLU A 40 6.040 5.770 -8.877 1.00 1.00 O ATOM 0 H GLU A 40 2.535 1.292 -6.173 1.00 1.00 H new ATOM 0 HA GLU A 40 4.651 2.953 -4.921 1.00 1.00 H new ATOM 0 HB2 GLU A 40 5.064 2.385 -7.296 1.00 1.00 H new ATOM 0 HB3 GLU A 40 3.459 2.948 -7.717 1.00 1.00 H new ATOM 0 HG2 GLU A 40 4.083 5.231 -6.936 1.00 1.00 H new ATOM 0 HG3 GLU A 40 5.700 4.652 -6.590 1.00 1.00 H new ATOM 619 N LEU A 41 3.032 4.829 -4.465 1.00 1.00 N ATOM 620 CA LEU A 41 2.003 5.785 -4.092 1.00 1.00 C ATOM 621 C LEU A 41 1.636 6.707 -5.234 1.00 1.00 C ATOM 622 O LEU A 41 2.506 7.331 -5.845 1.00 1.00 O ATOM 623 CB LEU A 41 2.415 6.638 -2.912 1.00 1.00 C ATOM 624 CG LEU A 41 2.672 5.913 -1.602 1.00 1.00 C ATOM 625 CD1 LEU A 41 2.912 6.915 -0.469 1.00 1.00 C ATOM 626 CD2 LEU A 41 1.583 4.961 -1.246 1.00 1.00 C ATOM 0 H LEU A 41 3.965 5.021 -4.100 1.00 1.00 H new ATOM 0 HA LEU A 41 1.138 5.181 -3.820 1.00 1.00 H new ATOM 0 HB2 LEU A 41 3.321 7.180 -3.184 1.00 1.00 H new ATOM 0 HB3 LEU A 41 1.637 7.382 -2.742 1.00 1.00 H new ATOM 0 HG LEU A 41 3.573 5.316 -1.743 1.00 1.00 H new ATOM 0 HD11 LEU A 41 3.094 6.376 0.461 1.00 1.00 H new ATOM 0 HD12 LEU A 41 3.779 7.532 -0.706 1.00 1.00 H new ATOM 0 HD13 LEU A 41 2.034 7.551 -0.354 1.00 1.00 H new ATOM 0 HD21 LEU A 41 1.821 4.472 -0.301 1.00 1.00 H new ATOM 0 HD22 LEU A 41 0.643 5.504 -1.147 1.00 1.00 H new ATOM 0 HD23 LEU A 41 1.487 4.209 -2.029 1.00 1.00 H new ATOM 638 N GLU A 42 0.342 6.869 -5.471 1.00 1.00 N ATOM 639 CA GLU A 42 -0.099 7.853 -6.433 1.00 1.00 C ATOM 640 C GLU A 42 0.407 9.247 -6.047 1.00 1.00 C ATOM 641 O GLU A 42 0.757 10.066 -6.909 1.00 1.00 O ATOM 642 CB GLU A 42 -1.640 7.876 -6.457 1.00 1.00 C ATOM 643 CG GLU A 42 -2.206 8.943 -7.375 1.00 1.00 C ATOM 644 CD GLU A 42 -3.658 9.365 -7.091 1.00 1.00 C ATOM 645 OE1 GLU A 42 -4.181 9.144 -5.981 1.00 1.00 O ATOM 646 OE2 GLU A 42 -4.301 9.895 -8.031 1.00 1.00 O ATOM 0 H GLU A 42 -0.403 6.341 -5.018 1.00 1.00 H new ATOM 0 HA GLU A 42 0.297 7.588 -7.413 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -2.007 6.900 -6.775 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -2.011 8.042 -5.445 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -1.571 9.826 -7.310 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -2.146 8.582 -8.402 1.00 1.00 H new ATOM 653 N LYS A 43 0.413 9.557 -4.761 1.00 1.00 N ATOM 654 CA LYS A 43 0.648 10.954 -4.398 1.00 1.00 C ATOM 655 C LYS A 43 2.069 11.439 -4.531 1.00 1.00 C ATOM 656 O LYS A 43 2.298 12.647 -4.632 1.00 1.00 O ATOM 657 CB LYS A 43 0.110 11.248 -2.998 1.00 1.00 C ATOM 658 CG LYS A 43 0.914 10.637 -1.891 1.00 1.00 C ATOM 659 CD LYS A 43 0.159 10.748 -0.552 1.00 1.00 C ATOM 660 CE LYS A 43 0.961 10.246 0.609 1.00 1.00 C ATOM 661 NZ LYS A 43 0.176 10.409 1.858 1.00 1.00 N ATOM 0 H LYS A 43 0.268 8.908 -3.988 1.00 1.00 H new ATOM 0 HA LYS A 43 0.094 11.523 -5.145 1.00 1.00 H new ATOM 0 HB2 LYS A 43 0.075 12.328 -2.854 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -0.915 10.884 -2.931 1.00 1.00 H new ATOM 0 HG2 LYS A 43 1.116 9.590 -2.116 1.00 1.00 H new ATOM 0 HG3 LYS A 43 1.879 11.139 -1.814 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -0.112 11.789 -0.378 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -0.771 10.183 -0.617 1.00 1.00 H new ATOM 0 HE2 LYS A 43 1.217 9.197 0.462 1.00 1.00 H new ATOM 0 HE3 LYS A 43 1.899 10.796 0.682 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 0.732 10.061 2.665 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -0.047 11.415 1.999 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -0.708 9.866 1.786 1.00 1.00 H new ATOM 675 N ASP A 44 3.054 10.540 -4.527 1.00 1.00 N ATOM 676 CA ASP A 44 4.445 10.977 -4.535 1.00 1.00 C ATOM 677 C ASP A 44 5.416 10.098 -5.294 1.00 1.00 C ATOM 678 O ASP A 44 6.595 10.404 -5.307 1.00 1.00 O ATOM 679 CB ASP A 44 4.950 11.214 -3.101 1.00 1.00 C ATOM 680 CG ASP A 44 5.027 9.980 -2.243 1.00 1.00 C ATOM 681 OD1 ASP A 44 4.929 8.831 -2.754 1.00 1.00 O ATOM 682 OD2 ASP A 44 5.193 10.092 -1.001 1.00 1.00 O ATOM 0 H ASP A 44 2.918 9.529 -4.518 1.00 1.00 H new ATOM 0 HA ASP A 44 4.425 11.911 -5.096 1.00 1.00 H new ATOM 0 HB2 ASP A 44 5.940 11.666 -3.151 1.00 1.00 H new ATOM 0 HB3 ASP A 44 4.294 11.936 -2.615 1.00 1.00 H new ATOM 687 N GLY A 45 4.968 8.996 -5.888 1.00 1.00 N ATOM 688 CA GLY A 45 5.890 8.155 -6.632 1.00 1.00 C ATOM 689 C GLY A 45 6.772 7.258 -5.794 1.00 1.00 C ATOM 690 O GLY A 45 7.585 6.543 -6.359 1.00 1.00 O ATOM 0 H GLY A 45 4.000 8.674 -5.869 1.00 1.00 H new ATOM 0 HA2 GLY A 45 5.315 7.532 -7.317 1.00 1.00 H new ATOM 0 HA3 GLY A 45 6.527 8.795 -7.242 1.00 1.00 H new ATOM 694 N SER A 46 6.640 7.258 -4.470 1.00 1.00 N ATOM 695 CA SER A 46 7.456 6.369 -3.623 1.00 1.00 C ATOM 696 C SER A 46 6.995 4.931 -3.841 1.00 1.00 C ATOM 697 O SER A 46 5.851 4.689 -4.169 1.00 1.00 O ATOM 698 CB SER A 46 7.387 6.757 -2.148 1.00 1.00 C ATOM 699 OG SER A 46 6.100 6.702 -1.616 1.00 1.00 O ATOM 0 H SER A 46 5.987 7.852 -3.959 1.00 1.00 H new ATOM 0 HA SER A 46 8.502 6.468 -3.912 1.00 1.00 H new ATOM 0 HB2 SER A 46 8.036 6.094 -1.576 1.00 1.00 H new ATOM 0 HB3 SER A 46 7.778 7.767 -2.028 1.00 1.00 H new ATOM 0 HG SER A 46 5.579 7.465 -1.942 1.00 1.00 H new ATOM 705 N LYS A 47 7.909 3.978 -3.676 1.00 1.00 N ATOM 706 CA LYS A 47 7.609 2.578 -3.921 1.00 1.00 C ATOM 707 C LYS A 47 8.059 1.764 -2.747 1.00 1.00 C ATOM 708 O LYS A 47 9.033 2.108 -2.070 1.00 1.00 O ATOM 709 CB LYS A 47 8.338 2.072 -5.166 1.00 1.00 C ATOM 710 CG LYS A 47 7.927 2.790 -6.423 1.00 1.00 C ATOM 711 CD LYS A 47 8.445 2.133 -7.680 1.00 1.00 C ATOM 712 CE LYS A 47 8.145 3.003 -8.893 1.00 1.00 C ATOM 713 NZ LYS A 47 8.195 2.274 -10.202 1.00 1.00 N ATOM 0 H LYS A 47 8.866 4.155 -3.372 1.00 1.00 H new ATOM 0 HA LYS A 47 6.534 2.480 -4.072 1.00 1.00 H new ATOM 0 HB2 LYS A 47 9.412 2.188 -5.023 1.00 1.00 H new ATOM 0 HB3 LYS A 47 8.146 1.006 -5.284 1.00 1.00 H new ATOM 0 HG2 LYS A 47 6.839 2.837 -6.467 1.00 1.00 H new ATOM 0 HG3 LYS A 47 8.289 3.817 -6.382 1.00 1.00 H new ATOM 0 HD2 LYS A 47 9.520 1.971 -7.597 1.00 1.00 H new ATOM 0 HD3 LYS A 47 7.983 1.153 -7.803 1.00 1.00 H new ATOM 0 HE2 LYS A 47 7.155 3.444 -8.774 1.00 1.00 H new ATOM 0 HE3 LYS A 47 8.859 3.826 -8.921 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 7.980 2.935 -10.976 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 9.145 1.875 -10.341 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 7.494 1.505 -10.198 1.00 1.00 H new ATOM 727 N GLY A 48 7.375 0.659 -2.491 1.00 1.00 N ATOM 728 CA GLY A 48 7.749 -0.198 -1.389 1.00 1.00 C ATOM 729 C GLY A 48 6.686 -1.211 -1.052 1.00 1.00 C ATOM 730 O GLY A 48 5.563 -1.169 -1.567 1.00 1.00 O ATOM 0 H GLY A 48 6.568 0.342 -3.028 1.00 1.00 H new ATOM 0 HA2 GLY A 48 8.675 -0.718 -1.636 1.00 1.00 H new ATOM 0 HA3 GLY A 48 7.952 0.415 -0.511 1.00 1.00 H new ATOM 734 N LEU A 49 7.047 -2.110 -0.154 1.00 1.00 N ATOM 735 CA LEU A 49 6.177 -3.155 0.312 1.00 1.00 C ATOM 736 C LEU A 49 5.100 -2.615 1.234 1.00 1.00 C ATOM 737 O LEU A 49 5.352 -1.742 2.079 1.00 1.00 O ATOM 738 CB LEU A 49 6.994 -4.184 1.089 1.00 1.00 C ATOM 739 CG LEU A 49 7.969 -5.024 0.286 1.00 1.00 C ATOM 740 CD1 LEU A 49 8.866 -5.778 1.231 1.00 1.00 C ATOM 741 CD2 LEU A 49 7.211 -5.988 -0.618 1.00 1.00 C ATOM 0 H LEU A 49 7.972 -2.128 0.275 1.00 1.00 H new ATOM 0 HA LEU A 49 5.703 -3.605 -0.560 1.00 1.00 H new ATOM 0 HB2 LEU A 49 7.554 -3.660 1.864 1.00 1.00 H new ATOM 0 HB3 LEU A 49 6.302 -4.857 1.595 1.00 1.00 H new ATOM 0 HG LEU A 49 8.578 -4.376 -0.344 1.00 1.00 H new ATOM 0 HD11 LEU A 49 9.569 -6.384 0.660 1.00 1.00 H new ATOM 0 HD12 LEU A 49 9.417 -5.071 1.852 1.00 1.00 H new ATOM 0 HD13 LEU A 49 8.262 -6.426 1.867 1.00 1.00 H new ATOM 0 HD21 LEU A 49 7.921 -6.586 -1.189 1.00 1.00 H new ATOM 0 HD22 LEU A 49 6.590 -6.646 -0.009 1.00 1.00 H new ATOM 0 HD23 LEU A 49 6.578 -5.423 -1.303 1.00 1.00 H new ATOM 753 N PHE A 50 3.902 -3.172 1.110 1.00 1.00 N ATOM 754 CA PHE A 50 2.807 -2.766 1.957 1.00 1.00 C ATOM 755 C PHE A 50 1.972 -3.992 2.263 1.00 1.00 C ATOM 756 O PHE A 50 1.809 -4.857 1.382 1.00 1.00 O ATOM 757 CB PHE A 50 1.961 -1.673 1.300 1.00 1.00 C ATOM 758 CG PHE A 50 1.210 -2.129 0.086 1.00 1.00 C ATOM 759 CD1 PHE A 50 1.786 -2.033 -1.160 1.00 1.00 C ATOM 760 CD2 PHE A 50 -0.092 -2.592 0.159 1.00 1.00 C ATOM 761 CE1 PHE A 50 1.105 -2.411 -2.288 1.00 1.00 C ATOM 762 CE2 PHE A 50 -0.769 -2.972 -0.984 1.00 1.00 C ATOM 763 CZ PHE A 50 -0.168 -2.878 -2.211 1.00 1.00 C ATOM 0 H PHE A 50 3.673 -3.900 0.434 1.00 1.00 H new ATOM 0 HA PHE A 50 3.198 -2.339 2.880 1.00 1.00 H new ATOM 0 HB2 PHE A 50 1.250 -1.290 2.032 1.00 1.00 H new ATOM 0 HB3 PHE A 50 2.611 -0.843 1.022 1.00 1.00 H new ATOM 0 HD1 PHE A 50 2.793 -1.653 -1.251 1.00 1.00 H new ATOM 0 HD2 PHE A 50 -0.584 -2.657 1.118 1.00 1.00 H new ATOM 0 HE1 PHE A 50 1.587 -2.336 -3.251 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -1.779 -3.346 -0.909 1.00 1.00 H new ATOM 0 HZ PHE A 50 -0.699 -3.171 -3.105 1.00 1.00 H new ATOM 773 N PRO A 51 1.454 -4.104 3.488 1.00 1.00 N ATOM 774 CA PRO A 51 0.647 -5.271 3.836 1.00 1.00 C ATOM 775 C PRO A 51 -0.615 -5.259 3.002 1.00 1.00 C ATOM 776 O PRO A 51 -1.283 -4.246 2.830 1.00 1.00 O ATOM 777 CB PRO A 51 0.360 -5.068 5.336 1.00 1.00 C ATOM 778 CG PRO A 51 1.365 -4.096 5.818 1.00 1.00 C ATOM 779 CD PRO A 51 1.632 -3.202 4.642 1.00 1.00 C ATOM 0 HA PRO A 51 1.126 -6.232 3.648 1.00 1.00 H new ATOM 0 HB2 PRO A 51 -0.651 -4.693 5.492 1.00 1.00 H new ATOM 0 HB3 PRO A 51 0.437 -6.010 5.879 1.00 1.00 H new ATOM 0 HG2 PRO A 51 0.989 -3.528 6.669 1.00 1.00 H new ATOM 0 HG3 PRO A 51 2.275 -4.598 6.147 1.00 1.00 H new ATOM 0 HD2 PRO A 51 0.938 -2.362 4.608 1.00 1.00 H new ATOM 0 HD3 PRO A 51 2.638 -2.783 4.675 1.00 1.00 H new ATOM 787 N SER A 52 -0.941 -6.415 2.434 1.00 1.00 N ATOM 788 CA SER A 52 -2.096 -6.514 1.556 1.00 1.00 C ATOM 789 C SER A 52 -3.436 -6.336 2.261 1.00 1.00 C ATOM 790 O SER A 52 -4.460 -6.105 1.608 1.00 1.00 O ATOM 791 CB SER A 52 -2.061 -7.850 0.836 1.00 1.00 C ATOM 792 OG SER A 52 -2.154 -8.890 1.774 1.00 1.00 O ATOM 0 H SER A 52 -0.427 -7.286 2.565 1.00 1.00 H new ATOM 0 HA SER A 52 -2.023 -5.686 0.851 1.00 1.00 H new ATOM 0 HB2 SER A 52 -2.884 -7.913 0.124 1.00 1.00 H new ATOM 0 HB3 SER A 52 -1.138 -7.943 0.264 1.00 1.00 H new ATOM 0 HG SER A 52 -1.390 -8.848 2.386 1.00 1.00 H new ATOM 798 N ASN A 53 -3.460 -6.414 3.588 1.00 1.00 N ATOM 799 CA ASN A 53 -4.720 -6.268 4.295 1.00 1.00 C ATOM 800 C ASN A 53 -5.056 -4.805 4.653 1.00 1.00 C ATOM 801 O ASN A 53 -6.036 -4.536 5.329 1.00 1.00 O ATOM 802 CB ASN A 53 -4.759 -7.191 5.551 1.00 1.00 C ATOM 803 CG ASN A 53 -4.872 -8.731 5.189 1.00 1.00 C ATOM 804 OD1 ASN A 53 -5.246 -9.070 4.087 1.00 1.00 O ATOM 805 ND2 ASN A 53 -4.532 -9.624 6.127 1.00 1.00 N ATOM 0 H ASN A 53 -2.644 -6.573 4.179 1.00 1.00 H new ATOM 0 HA ASN A 53 -5.502 -6.588 3.606 1.00 1.00 H new ATOM 0 HB2 ASN A 53 -3.858 -7.028 6.142 1.00 1.00 H new ATOM 0 HB3 ASN A 53 -5.606 -6.908 6.176 1.00 1.00 H new ATOM 0 HD21 ASN A 53 -4.584 -10.622 5.924 1.00 1.00 H new ATOM 0 HD22 ASN A 53 -4.221 -9.306 7.045 1.00 1.00 H new ATOM 812 N TYR A 54 -4.270 -3.833 4.198 1.00 1.00 N ATOM 813 CA TYR A 54 -4.571 -2.436 4.497 1.00 1.00 C ATOM 814 C TYR A 54 -5.232 -1.694 3.331 1.00 1.00 C ATOM 815 O TYR A 54 -5.513 -0.514 3.474 1.00 1.00 O ATOM 816 CB TYR A 54 -3.332 -1.659 4.963 1.00 1.00 C ATOM 817 CG TYR A 54 -3.020 -1.870 6.412 1.00 1.00 C ATOM 818 CD1 TYR A 54 -2.519 -3.084 6.871 1.00 1.00 C ATOM 819 CD2 TYR A 54 -3.233 -0.877 7.327 1.00 1.00 C ATOM 820 CE1 TYR A 54 -2.253 -3.284 8.210 1.00 1.00 C ATOM 821 CE2 TYR A 54 -2.968 -1.070 8.664 1.00 1.00 C ATOM 822 CZ TYR A 54 -2.480 -2.280 9.099 1.00 1.00 C ATOM 823 OH TYR A 54 -2.236 -2.456 10.450 1.00 1.00 O ATOM 0 H TYR A 54 -3.435 -3.982 3.631 1.00 1.00 H new ATOM 0 HA TYR A 54 -5.290 -2.478 5.315 1.00 1.00 H new ATOM 0 HB2 TYR A 54 -2.473 -1.962 4.364 1.00 1.00 H new ATOM 0 HB3 TYR A 54 -3.487 -0.595 4.782 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -2.335 -3.883 6.168 1.00 1.00 H new ATOM 0 HD2 TYR A 54 -3.616 0.077 6.995 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -1.866 -4.233 8.551 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -3.143 -0.272 9.371 1.00 1.00 H new ATOM 0 HH TYR A 54 -2.455 -1.631 10.932 1.00 1.00 H new ATOM 833 N VAL A 55 -5.445 -2.352 2.196 1.00 1.00 N ATOM 834 CA VAL A 55 -6.038 -1.695 1.032 1.00 1.00 C ATOM 835 C VAL A 55 -7.066 -2.579 0.351 1.00 1.00 C ATOM 836 O VAL A 55 -7.125 -3.787 0.575 1.00 1.00 O ATOM 837 CB VAL A 55 -4.959 -1.285 -0.030 1.00 1.00 C ATOM 838 CG1 VAL A 55 -3.940 -0.314 0.556 1.00 1.00 C ATOM 839 CG2 VAL A 55 -4.261 -2.494 -0.579 1.00 1.00 C ATOM 0 H VAL A 55 -5.217 -3.336 2.056 1.00 1.00 H new ATOM 0 HA VAL A 55 -6.522 -0.797 1.416 1.00 1.00 H new ATOM 0 HB VAL A 55 -5.481 -0.781 -0.844 1.00 1.00 H new ATOM 0 HG11 VAL A 55 -3.207 -0.051 -0.207 1.00 1.00 H new ATOM 0 HG12 VAL A 55 -4.450 0.588 0.895 1.00 1.00 H new ATOM 0 HG13 VAL A 55 -3.433 -0.783 1.399 1.00 1.00 H new ATOM 0 HG21 VAL A 55 -3.518 -2.183 -1.313 1.00 1.00 H new ATOM 0 HG22 VAL A 55 -3.768 -3.029 0.232 1.00 1.00 H new ATOM 0 HG23 VAL A 55 -4.990 -3.150 -1.056 1.00 1.00 H new ATOM 849 N SER A 56 -7.864 -1.964 -0.505 1.00 1.00 N ATOM 850 CA SER A 56 -8.872 -2.636 -1.296 1.00 1.00 C ATOM 851 C SER A 56 -8.700 -2.221 -2.759 1.00 1.00 C ATOM 852 O SER A 56 -8.567 -1.043 -3.016 1.00 1.00 O ATOM 853 CB SER A 56 -10.242 -2.227 -0.789 1.00 1.00 C ATOM 854 OG SER A 56 -10.478 -0.882 -1.084 1.00 1.00 O ATOM 0 H SER A 56 -7.825 -0.958 -0.671 1.00 1.00 H new ATOM 0 HA SER A 56 -8.771 -3.718 -1.215 1.00 1.00 H new ATOM 0 HB2 SER A 56 -11.010 -2.849 -1.249 1.00 1.00 H new ATOM 0 HB3 SER A 56 -10.304 -2.388 0.287 1.00 1.00 H new ATOM 0 HG SER A 56 -10.540 -0.370 -0.251 1.00 1.00 H new ATOM 860 N LEU A 57 -8.668 -3.180 -3.685 1.00 1.00 N ATOM 861 CA LEU A 57 -8.455 -2.831 -5.100 1.00 1.00 C ATOM 862 C LEU A 57 -9.542 -1.885 -5.603 1.00 1.00 C ATOM 863 O LEU A 57 -10.712 -1.982 -5.227 1.00 1.00 O ATOM 864 CB LEU A 57 -8.374 -4.060 -5.993 1.00 1.00 C ATOM 865 CG LEU A 57 -7.296 -5.066 -5.625 1.00 1.00 C ATOM 866 CD1 LEU A 57 -7.183 -6.094 -6.746 1.00 1.00 C ATOM 867 CD2 LEU A 57 -5.953 -4.446 -5.397 1.00 1.00 C ATOM 0 H LEU A 57 -8.782 -4.176 -3.496 1.00 1.00 H new ATOM 0 HA LEU A 57 -7.493 -2.322 -5.153 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -9.340 -4.565 -5.975 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -8.205 -3.732 -7.019 1.00 1.00 H new ATOM 0 HG LEU A 57 -7.595 -5.525 -4.683 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -6.412 -6.823 -6.495 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -8.138 -6.604 -6.870 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -6.917 -5.591 -7.676 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -5.233 -5.222 -5.138 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -5.628 -3.938 -6.305 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -6.018 -3.726 -4.582 1.00 1.00 H new ATOM 879 N GLY A 58 -9.130 -0.937 -6.434 1.00 1.00 N ATOM 880 CA GLY A 58 -10.062 0.016 -7.032 1.00 1.00 C ATOM 881 C GLY A 58 -10.582 1.045 -6.054 1.00 1.00 C ATOM 882 O GLY A 58 -10.014 1.230 -4.960 1.00 1.00 O ATOM 0 H GLY A 58 -8.157 -0.805 -6.711 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -9.566 0.528 -7.857 1.00 1.00 H new ATOM 0 HA3 GLY A 58 -10.905 -0.529 -7.456 1.00 1.00 H new ATOM 886 N ASN A 59 -11.660 1.724 -6.464 1.00 1.00 N ATOM 887 CA ASN A 59 -12.271 2.802 -5.690 1.00 1.00 C ATOM 888 C ASN A 59 -13.203 2.258 -4.620 1.00 1.00 C ATOM 889 O ASN A 59 -14.004 3.060 -4.086 1.00 1.00 O ATOM 890 CB ASN A 59 -12.994 3.807 -6.622 1.00 1.00 C ATOM 891 CG ASN A 59 -12.391 5.199 -6.565 1.00 1.00 C ATOM 892 OD1 ASN A 59 -11.873 5.643 -5.544 1.00 1.00 O ATOM 893 ND2 ASN A 59 -12.456 5.901 -7.691 1.00 1.00 N ATOM 894 OXT ASN A 59 -13.155 1.049 -4.355 1.00 1.00 O ATOM 0 H ASN A 59 -12.133 1.537 -7.348 1.00 1.00 H new ATOM 0 HA ASN A 59 -11.475 3.340 -5.176 1.00 1.00 H new ATOM 0 HB2 ASN A 59 -12.952 3.440 -7.647 1.00 1.00 H new ATOM 0 HB3 ASN A 59 -14.047 3.860 -6.345 1.00 1.00 H new ATOM 0 HD21 ASN A 59 -12.067 6.843 -7.728 1.00 1.00 H new ATOM 0 HD22 ASN A 59 -12.894 5.498 -8.519 1.00 1.00 H new