USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 668 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 18 CYS SG : rot 158:sc= -9.21! USER MOD Set 1.2: A 77 TYR OH : rot -140:sc= -4.18! USER MOD Single : A 5 LYS NZ :NH3+ -135:sc= -0.439 (180deg=-3.4!) USER MOD Single : A 6 SER OG : rot 94:sc= -4.54! USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.24 K(o=-0.24,f=-3.2!) USER MOD Single : A 22 SER OG : rot 99:sc= 0.977 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0195) USER MOD Single : A 27 HIS : no HD1:sc= -7.48! C(o=-7.5!,f=-7.9!) USER MOD Single : A 35 HIS : no HE2:sc= -10.3! C(o=-10!,f=-17!) USER MOD Single : A 37 THR OG1 : rot -0:sc= 1.49 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.52 USER MOD Single : A 57 MET CE :methyl -139:sc= -0.0793 (180deg=-0.533) USER MOD Single : A 60 ASN : amide:sc= -0.173 K(o=-0.17,f=-3.1!) USER MOD Single : A 64 THR OG1 : rot 24:sc= 0.934 USER MOD Single : A 65 TYR OH : rot -96:sc= -3.62! USER MOD Single : A 72 LYS NZ :NH3+ -142:sc= -0.0651 (180deg=-0.453) USER MOD Single : A 80 ASN : amide:sc= -4.38! C(o=-4.4!,f=-4!) USER MOD Single : A 82 THR OG1 : rot 19:sc= -7.36! USER MOD Single : A 87 ASN :FLIP amide:sc= -1.07 F(o=-2.4,f=-1.1) USER MOD Single : A 89 ASN : amide:sc= 0.213 K(o=0.21,f=-6.4!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 -15.295 -10.409 -0.611 1.00 0.00 N ATOM 14 CA ASP A 2 -13.920 -10.396 -0.063 1.00 0.00 C ATOM 15 C ASP A 2 -13.835 -9.466 1.152 1.00 0.00 C ATOM 16 O ASP A 2 -12.973 -8.615 1.216 1.00 0.00 O ATOM 17 CB ASP A 2 -12.968 -9.897 -1.143 1.00 0.00 C ATOM 18 CG ASP A 2 -11.576 -9.798 -0.545 1.00 0.00 C ATOM 19 OD1 ASP A 2 -11.418 -10.222 0.585 1.00 0.00 O ATOM 20 OD2 ASP A 2 -10.692 -9.298 -1.220 1.00 0.00 O ATOM 0 HA ASP A 2 -13.649 -11.405 0.249 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.968 -10.579 -1.993 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.292 -8.925 -1.514 1.00 0.00 H new ATOM 25 N PRO A 3 -14.706 -9.670 2.104 1.00 0.00 N ATOM 26 CA PRO A 3 -14.695 -8.877 3.337 1.00 0.00 C ATOM 27 C PRO A 3 -13.641 -9.467 4.276 1.00 0.00 C ATOM 28 O PRO A 3 -13.508 -9.067 5.416 1.00 0.00 O ATOM 29 CB PRO A 3 -16.094 -9.091 3.915 1.00 0.00 C ATOM 30 CG PRO A 3 -16.609 -10.424 3.318 1.00 0.00 C ATOM 31 CD PRO A 3 -15.776 -10.688 2.049 1.00 0.00 C ATOM 0 HA PRO A 3 -14.464 -7.822 3.188 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -16.062 -9.138 5.004 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -16.755 -8.265 3.651 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -16.495 -11.239 4.033 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -17.670 -10.357 3.078 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -15.366 -11.698 2.044 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -16.379 -10.584 1.147 1.00 0.00 H new ATOM 39 N GLU A 4 -12.922 -10.460 3.809 1.00 0.00 N ATOM 40 CA GLU A 4 -11.915 -11.130 4.671 1.00 0.00 C ATOM 41 C GLU A 4 -10.704 -11.596 3.854 1.00 0.00 C ATOM 42 O GLU A 4 -9.922 -12.405 4.311 1.00 0.00 O ATOM 43 CB GLU A 4 -12.578 -12.361 5.252 1.00 0.00 C ATOM 44 CG GLU A 4 -12.728 -12.210 6.767 1.00 0.00 C ATOM 45 CD GLU A 4 -14.195 -12.401 7.157 1.00 0.00 C ATOM 46 OE1 GLU A 4 -15.050 -12.074 6.350 1.00 0.00 O ATOM 47 OE2 GLU A 4 -14.438 -12.871 8.256 1.00 0.00 O ATOM 0 H GLU A 4 -12.995 -10.832 2.862 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.573 -10.432 5.435 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.556 -12.507 4.794 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.984 -13.246 5.024 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.106 -12.944 7.279 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -12.383 -11.225 7.081 1.00 0.00 H new ATOM 54 N LYS A 5 -10.541 -11.116 2.659 1.00 0.00 N ATOM 55 CA LYS A 5 -9.383 -11.559 1.842 1.00 0.00 C ATOM 56 C LYS A 5 -8.941 -10.396 0.972 1.00 0.00 C ATOM 57 O LYS A 5 -8.569 -10.558 -0.173 1.00 0.00 O ATOM 58 CB LYS A 5 -9.794 -12.744 0.965 1.00 0.00 C ATOM 59 CG LYS A 5 -8.586 -13.657 0.744 1.00 0.00 C ATOM 60 CD LYS A 5 -8.219 -14.355 2.055 1.00 0.00 C ATOM 61 CE LYS A 5 -7.773 -15.789 1.760 1.00 0.00 C ATOM 62 NZ LYS A 5 -8.826 -16.480 0.964 1.00 0.00 N ATOM 0 H LYS A 5 -11.157 -10.437 2.212 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.563 -11.873 2.487 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.601 -13.300 1.441 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.174 -12.387 0.008 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.814 -14.398 -0.022 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.739 -13.074 0.382 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.420 -13.810 2.559 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.075 -14.360 2.729 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.831 -15.783 1.211 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.595 -16.325 2.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.987 -17.431 1.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.710 -15.933 1.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.517 -16.559 -0.026 1.00 0.00 H new ATOM 76 N SER A 6 -8.992 -9.218 1.517 1.00 0.00 N ATOM 77 CA SER A 6 -8.585 -8.023 0.731 1.00 0.00 C ATOM 78 C SER A 6 -7.354 -7.406 1.380 1.00 0.00 C ATOM 79 O SER A 6 -7.403 -6.916 2.489 1.00 0.00 O ATOM 80 CB SER A 6 -9.705 -6.986 0.743 1.00 0.00 C ATOM 81 OG SER A 6 -10.958 -7.638 0.631 1.00 0.00 O ATOM 0 H SER A 6 -9.297 -9.029 2.472 1.00 0.00 H new ATOM 0 HA SER A 6 -8.373 -8.323 -0.295 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.667 -6.406 1.665 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.574 -6.285 -0.081 1.00 0.00 H new ATOM 0 HG SER A 6 -11.325 -7.798 1.526 1.00 0.00 H new ATOM 87 N TYR A 7 -6.246 -7.436 0.704 1.00 0.00 N ATOM 88 CA TYR A 7 -5.008 -6.852 1.301 1.00 0.00 C ATOM 89 C TYR A 7 -4.146 -6.185 0.224 1.00 0.00 C ATOM 90 O TYR A 7 -4.073 -6.636 -0.902 1.00 0.00 O ATOM 91 CB TYR A 7 -4.198 -7.959 1.983 1.00 0.00 C ATOM 92 CG TYR A 7 -4.406 -9.265 1.255 1.00 0.00 C ATOM 93 CD1 TYR A 7 -3.820 -9.469 0.001 1.00 0.00 C ATOM 94 CD2 TYR A 7 -5.190 -10.272 1.834 1.00 0.00 C ATOM 95 CE1 TYR A 7 -4.015 -10.678 -0.675 1.00 0.00 C ATOM 96 CE2 TYR A 7 -5.384 -11.482 1.158 1.00 0.00 C ATOM 97 CZ TYR A 7 -4.797 -11.685 -0.097 1.00 0.00 C ATOM 98 OH TYR A 7 -4.989 -12.878 -0.763 1.00 0.00 O ATOM 0 H TYR A 7 -6.138 -7.835 -0.229 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.300 -6.098 2.032 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.140 -7.698 1.987 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.505 -8.059 3.024 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.217 -8.692 -0.445 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.644 -10.114 2.801 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -3.562 -10.835 -1.643 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.987 -12.259 1.604 1.00 0.00 H new ATOM 0 HH TYR A 7 -5.555 -13.467 -0.222 1.00 0.00 H new ATOM 108 N ALA A 8 -3.477 -5.118 0.579 1.00 0.00 N ATOM 109 CA ALA A 8 -2.592 -4.412 -0.394 1.00 0.00 C ATOM 110 C ALA A 8 -1.181 -4.367 0.179 1.00 0.00 C ATOM 111 O ALA A 8 -0.970 -3.905 1.282 1.00 0.00 O ATOM 112 CB ALA A 8 -3.085 -2.983 -0.609 1.00 0.00 C ATOM 0 H ALA A 8 -3.507 -4.703 1.510 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.603 -4.941 -1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.433 -2.476 -1.320 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.102 -3.004 -1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.072 -2.447 0.340 1.00 0.00 H new ATOM 118 N GLU A 9 -0.212 -4.843 -0.546 1.00 0.00 N ATOM 119 CA GLU A 9 1.175 -4.820 -0.004 1.00 0.00 C ATOM 120 C GLU A 9 2.174 -4.504 -1.114 1.00 0.00 C ATOM 121 O GLU A 9 2.035 -4.929 -2.248 1.00 0.00 O ATOM 122 CB GLU A 9 1.511 -6.184 0.601 1.00 0.00 C ATOM 123 CG GLU A 9 0.452 -6.561 1.640 1.00 0.00 C ATOM 124 CD GLU A 9 1.129 -7.217 2.845 1.00 0.00 C ATOM 125 OE1 GLU A 9 1.891 -8.147 2.637 1.00 0.00 O ATOM 126 OE2 GLU A 9 0.873 -6.779 3.954 1.00 0.00 O ATOM 0 H GLU A 9 -0.315 -5.243 -1.479 1.00 0.00 H new ATOM 0 HA GLU A 9 1.238 -4.048 0.763 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.551 -6.941 -0.183 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.496 -6.154 1.066 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.095 -5.673 1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.275 -7.244 1.202 1.00 0.00 H new ATOM 133 N GLY A 10 3.182 -3.748 -0.787 1.00 0.00 N ATOM 134 CA GLY A 10 4.211 -3.397 -1.794 1.00 0.00 C ATOM 135 C GLY A 10 5.454 -2.873 -1.084 1.00 0.00 C ATOM 136 O GLY A 10 5.440 -2.665 0.114 1.00 0.00 O ATOM 0 H GLY A 10 3.336 -3.357 0.142 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.463 -4.272 -2.394 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.824 -2.642 -2.478 1.00 0.00 H new ATOM 140 N PRO A 11 6.480 -2.621 -1.854 1.00 0.00 N ATOM 141 CA PRO A 11 7.730 -2.052 -1.335 1.00 0.00 C ATOM 142 C PRO A 11 7.547 -0.540 -1.150 1.00 0.00 C ATOM 143 O PRO A 11 8.482 0.185 -0.875 1.00 0.00 O ATOM 144 CB PRO A 11 8.748 -2.351 -2.440 1.00 0.00 C ATOM 145 CG PRO A 11 7.931 -2.548 -3.740 1.00 0.00 C ATOM 146 CD PRO A 11 6.492 -2.888 -3.306 1.00 0.00 C ATOM 0 HA PRO A 11 8.039 -2.458 -0.372 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.458 -1.531 -2.547 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.326 -3.244 -2.205 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.949 -1.645 -4.350 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.353 -3.350 -4.346 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.762 -2.272 -3.830 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.246 -3.928 -3.522 1.00 0.00 H new ATOM 154 N GLY A 12 6.335 -0.064 -1.311 1.00 0.00 N ATOM 155 CA GLY A 12 6.062 1.386 -1.162 1.00 0.00 C ATOM 156 C GLY A 12 5.083 1.604 -0.012 1.00 0.00 C ATOM 157 O GLY A 12 4.196 0.811 0.174 1.00 0.00 O ATOM 0 H GLY A 12 5.519 -0.631 -1.542 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.990 1.924 -0.970 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.647 1.786 -2.087 1.00 0.00 H new ATOM 161 N LEU A 13 5.249 2.686 0.725 1.00 0.00 N ATOM 162 CA LEU A 13 4.343 3.046 1.882 1.00 0.00 C ATOM 163 C LEU A 13 5.036 2.778 3.215 1.00 0.00 C ATOM 164 O LEU A 13 4.683 3.340 4.232 1.00 0.00 O ATOM 165 CB LEU A 13 2.992 2.318 1.809 1.00 0.00 C ATOM 166 CG LEU A 13 2.876 1.162 2.829 1.00 0.00 C ATOM 167 CD1 LEU A 13 1.410 0.802 2.979 1.00 0.00 C ATOM 168 CD2 LEU A 13 3.635 -0.084 2.354 1.00 0.00 C ATOM 0 H LEU A 13 6.000 3.358 0.568 1.00 0.00 H new ATOM 0 HA LEU A 13 4.134 4.113 1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.189 3.034 1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.851 1.923 0.803 1.00 0.00 H new ATOM 0 HG LEU A 13 3.307 1.490 3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.307 -0.013 3.696 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.857 1.671 3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.012 0.489 2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.532 -0.877 3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.223 -0.421 1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.690 0.159 2.227 1.00 0.00 H new ATOM 180 N ASP A 14 6.024 1.947 3.217 1.00 0.00 N ATOM 181 CA ASP A 14 6.752 1.667 4.488 1.00 0.00 C ATOM 182 C ASP A 14 7.174 2.995 5.111 1.00 0.00 C ATOM 183 O ASP A 14 7.445 3.094 6.291 1.00 0.00 O ATOM 184 CB ASP A 14 8.007 0.859 4.192 1.00 0.00 C ATOM 185 CG ASP A 14 7.701 -0.209 3.138 1.00 0.00 C ATOM 186 OD1 ASP A 14 7.199 0.150 2.087 1.00 0.00 O ATOM 187 OD2 ASP A 14 7.977 -1.367 3.402 1.00 0.00 O ATOM 0 H ASP A 14 6.366 1.444 2.398 1.00 0.00 H new ATOM 0 HA ASP A 14 6.103 1.110 5.164 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.799 1.518 3.836 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.371 0.388 5.105 1.00 0.00 H new ATOM 192 N GLY A 15 7.228 4.015 4.307 1.00 0.00 N ATOM 193 CA GLY A 15 7.628 5.366 4.811 1.00 0.00 C ATOM 194 C GLY A 15 9.139 5.459 4.980 1.00 0.00 C ATOM 195 O GLY A 15 9.902 5.153 4.086 1.00 0.00 O ATOM 0 H GLY A 15 7.011 3.976 3.311 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.288 6.133 4.115 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.139 5.562 5.765 1.00 0.00 H new ATOM 199 N GLY A 16 9.569 5.888 6.134 1.00 0.00 N ATOM 200 CA GLY A 16 11.032 6.019 6.393 1.00 0.00 C ATOM 201 C GLY A 16 11.660 7.078 5.491 1.00 0.00 C ATOM 202 O GLY A 16 12.307 7.993 5.961 1.00 0.00 O ATOM 0 H GLY A 16 8.968 6.155 6.913 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.197 6.283 7.438 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.521 5.059 6.226 1.00 0.00 H new ATOM 206 N GLU A 17 11.511 6.957 4.204 1.00 0.00 N ATOM 207 CA GLU A 17 12.146 7.955 3.310 1.00 0.00 C ATOM 208 C GLU A 17 11.159 8.490 2.276 1.00 0.00 C ATOM 209 O GLU A 17 10.322 7.779 1.756 1.00 0.00 O ATOM 210 CB GLU A 17 13.301 7.296 2.578 1.00 0.00 C ATOM 211 CG GLU A 17 14.484 7.129 3.532 1.00 0.00 C ATOM 212 CD GLU A 17 15.456 6.092 2.967 1.00 0.00 C ATOM 213 OE1 GLU A 17 16.158 6.420 2.025 1.00 0.00 O ATOM 214 OE2 GLU A 17 15.482 4.989 3.487 1.00 0.00 O ATOM 0 H GLU A 17 10.983 6.219 3.738 1.00 0.00 H new ATOM 0 HA GLU A 17 12.492 8.788 3.923 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.993 6.325 2.191 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.595 7.902 1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 17 14.993 8.083 3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.131 6.814 4.514 1.00 0.00 H new ATOM 221 N CYS A 18 11.278 9.749 1.977 1.00 0.00 N ATOM 222 CA CYS A 18 10.371 10.385 0.963 1.00 0.00 C ATOM 223 C CYS A 18 10.970 10.216 -0.430 1.00 0.00 C ATOM 224 O CYS A 18 10.282 10.323 -1.426 1.00 0.00 O ATOM 225 CB CYS A 18 10.223 11.892 1.216 1.00 0.00 C ATOM 226 SG CYS A 18 8.732 12.228 2.193 1.00 0.00 S ATOM 0 H CYS A 18 11.967 10.377 2.390 1.00 0.00 H new ATOM 0 HA CYS A 18 9.397 9.901 1.042 1.00 0.00 H new ATOM 0 HB2 CYS A 18 11.101 12.267 1.741 1.00 0.00 H new ATOM 0 HB3 CYS A 18 10.170 12.423 0.266 1.00 0.00 H new ATOM 0 HG CYS A 18 8.849 13.381 2.781 1.00 0.00 H new ATOM 232 N PHE A 19 12.247 9.968 -0.515 1.00 0.00 N ATOM 233 CA PHE A 19 12.873 9.813 -1.856 1.00 0.00 C ATOM 234 C PHE A 19 12.792 8.364 -2.295 1.00 0.00 C ATOM 235 O PHE A 19 13.385 7.957 -3.275 1.00 0.00 O ATOM 236 CB PHE A 19 14.314 10.302 -1.811 1.00 0.00 C ATOM 237 CG PHE A 19 14.243 11.798 -1.794 1.00 0.00 C ATOM 238 CD1 PHE A 19 13.798 12.475 -2.935 1.00 0.00 C ATOM 239 CD2 PHE A 19 14.553 12.505 -0.631 1.00 0.00 C ATOM 240 CE1 PHE A 19 13.671 13.863 -2.915 1.00 0.00 C ATOM 241 CE2 PHE A 19 14.413 13.893 -0.607 1.00 0.00 C ATOM 242 CZ PHE A 19 13.974 14.571 -1.751 1.00 0.00 C ATOM 0 H PHE A 19 12.879 9.867 0.279 1.00 0.00 H new ATOM 0 HA PHE A 19 12.335 10.417 -2.586 1.00 0.00 H new ATOM 0 HB2 PHE A 19 14.826 9.926 -0.925 1.00 0.00 H new ATOM 0 HB3 PHE A 19 14.873 9.948 -2.677 1.00 0.00 H new ATOM 0 HD1 PHE A 19 13.553 11.923 -3.830 1.00 0.00 H new ATOM 0 HD2 PHE A 19 14.900 11.980 0.247 1.00 0.00 H new ATOM 0 HE1 PHE A 19 13.339 14.389 -3.798 1.00 0.00 H new ATOM 0 HE2 PHE A 19 14.643 14.444 0.293 1.00 0.00 H new ATOM 0 HZ PHE A 19 13.870 15.646 -1.732 1.00 0.00 H new ATOM 252 N GLN A 20 12.003 7.599 -1.608 1.00 0.00 N ATOM 253 CA GLN A 20 11.803 6.193 -2.005 1.00 0.00 C ATOM 254 C GLN A 20 10.488 6.177 -2.772 1.00 0.00 C ATOM 255 O GLN A 20 9.540 6.819 -2.364 1.00 0.00 O ATOM 256 CB GLN A 20 11.698 5.307 -0.761 1.00 0.00 C ATOM 257 CG GLN A 20 12.701 4.157 -0.863 1.00 0.00 C ATOM 258 CD GLN A 20 12.893 3.520 0.515 1.00 0.00 C ATOM 259 OE1 GLN A 20 12.425 4.041 1.508 1.00 0.00 O ATOM 260 NE2 GLN A 20 13.565 2.407 0.616 1.00 0.00 N ATOM 0 H GLN A 20 11.484 7.893 -0.781 1.00 0.00 H new ATOM 0 HA GLN A 20 12.630 5.815 -2.605 1.00 0.00 H new ATOM 0 HB2 GLN A 20 11.895 5.896 0.135 1.00 0.00 H new ATOM 0 HB3 GLN A 20 10.686 4.913 -0.667 1.00 0.00 H new ATOM 0 HG2 GLN A 20 12.344 3.411 -1.573 1.00 0.00 H new ATOM 0 HG3 GLN A 20 13.655 4.525 -1.241 1.00 0.00 H new ATOM 0 HE21 GLN A 20 13.957 1.971 -0.218 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.698 1.973 1.529 1.00 0.00 H new ATOM 269 N PRO A 21 10.458 5.482 -3.864 1.00 0.00 N ATOM 270 CA PRO A 21 9.252 5.424 -4.694 1.00 0.00 C ATOM 271 C PRO A 21 8.181 4.633 -3.961 1.00 0.00 C ATOM 272 O PRO A 21 8.449 3.592 -3.395 1.00 0.00 O ATOM 273 CB PRO A 21 9.724 4.724 -5.971 1.00 0.00 C ATOM 274 CG PRO A 21 11.009 3.954 -5.591 1.00 0.00 C ATOM 275 CD PRO A 21 11.587 4.672 -4.356 1.00 0.00 C ATOM 0 HA PRO A 21 8.810 6.395 -4.916 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.960 4.044 -6.347 1.00 0.00 H new ATOM 0 HB3 PRO A 21 9.923 5.448 -6.761 1.00 0.00 H new ATOM 0 HG2 PRO A 21 10.786 2.911 -5.367 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.724 3.958 -6.414 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.929 3.962 -3.603 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.442 5.295 -4.618 1.00 0.00 H new ATOM 283 N SER A 22 6.967 5.108 -3.948 1.00 0.00 N ATOM 284 CA SER A 22 5.925 4.350 -3.227 1.00 0.00 C ATOM 285 C SER A 22 5.046 3.636 -4.230 1.00 0.00 C ATOM 286 O SER A 22 4.275 4.251 -4.931 1.00 0.00 O ATOM 287 CB SER A 22 5.044 5.302 -2.466 1.00 0.00 C ATOM 288 OG SER A 22 5.832 6.335 -1.891 1.00 0.00 O ATOM 0 H SER A 22 6.661 5.971 -4.397 1.00 0.00 H new ATOM 0 HA SER A 22 6.408 3.644 -2.551 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.296 5.731 -3.133 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.504 4.767 -1.685 1.00 0.00 H new ATOM 0 HG SER A 22 5.790 7.133 -2.459 1.00 0.00 H new ATOM 294 N LYS A 23 5.131 2.344 -4.283 1.00 0.00 N ATOM 295 CA LYS A 23 4.276 1.587 -5.213 1.00 0.00 C ATOM 296 C LYS A 23 3.924 0.257 -4.574 1.00 0.00 C ATOM 297 O LYS A 23 4.775 -0.468 -4.105 1.00 0.00 O ATOM 298 CB LYS A 23 5.007 1.311 -6.516 1.00 0.00 C ATOM 299 CG LYS A 23 5.505 2.617 -7.140 1.00 0.00 C ATOM 300 CD LYS A 23 7.017 2.736 -6.946 1.00 0.00 C ATOM 301 CE LYS A 23 7.717 1.614 -7.714 1.00 0.00 C ATOM 302 NZ LYS A 23 8.178 2.129 -9.034 1.00 0.00 N ATOM 0 H LYS A 23 5.763 1.778 -3.716 1.00 0.00 H new ATOM 0 HA LYS A 23 3.382 2.174 -5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.850 0.644 -6.333 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.342 0.800 -7.212 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.262 2.640 -8.202 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.001 3.467 -6.679 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.365 3.706 -7.300 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.265 2.676 -5.886 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.566 1.241 -7.141 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.035 0.776 -7.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.654 1.367 -9.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.360 2.465 -9.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.843 2.915 -8.887 1.00 0.00 H new ATOM 316 N PHE A 24 2.677 -0.066 -4.558 1.00 0.00 N ATOM 317 CA PHE A 24 2.246 -1.359 -3.954 1.00 0.00 C ATOM 318 C PHE A 24 1.150 -1.966 -4.818 1.00 0.00 C ATOM 319 O PHE A 24 0.489 -1.277 -5.576 1.00 0.00 O ATOM 320 CB PHE A 24 1.718 -1.170 -2.519 1.00 0.00 C ATOM 321 CG PHE A 24 1.734 0.284 -2.143 1.00 0.00 C ATOM 322 CD1 PHE A 24 2.952 0.955 -2.064 1.00 0.00 C ATOM 323 CD2 PHE A 24 0.538 0.961 -1.884 1.00 0.00 C ATOM 324 CE1 PHE A 24 2.985 2.308 -1.731 1.00 0.00 C ATOM 325 CE2 PHE A 24 0.569 2.317 -1.544 1.00 0.00 C ATOM 326 CZ PHE A 24 1.796 2.990 -1.471 1.00 0.00 C ATOM 0 H PHE A 24 1.923 0.507 -4.938 1.00 0.00 H new ATOM 0 HA PHE A 24 3.111 -2.020 -3.908 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.703 -1.561 -2.444 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.331 -1.740 -1.821 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.873 0.426 -2.261 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.405 0.439 -1.946 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.930 2.828 -1.674 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.351 2.844 -1.338 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.821 4.038 -1.213 1.00 0.00 H new ATOM 336 N LYS A 25 0.945 -3.248 -4.716 1.00 0.00 N ATOM 337 CA LYS A 25 -0.113 -3.883 -5.543 1.00 0.00 C ATOM 338 C LYS A 25 -1.202 -4.399 -4.612 1.00 0.00 C ATOM 339 O LYS A 25 -0.935 -4.858 -3.517 1.00 0.00 O ATOM 340 CB LYS A 25 0.484 -5.044 -6.343 1.00 0.00 C ATOM 341 CG LYS A 25 1.851 -4.633 -6.891 1.00 0.00 C ATOM 342 CD LYS A 25 2.374 -5.726 -7.824 1.00 0.00 C ATOM 343 CE LYS A 25 3.878 -5.546 -8.032 1.00 0.00 C ATOM 344 NZ LYS A 25 4.123 -4.329 -8.856 1.00 0.00 N ATOM 0 H LYS A 25 1.460 -3.878 -4.101 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.532 -3.159 -6.241 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.584 -5.924 -5.708 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.182 -5.316 -7.162 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.770 -3.688 -7.429 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.551 -4.474 -6.071 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.170 -6.709 -7.399 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.856 -5.679 -8.782 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.381 -5.454 -7.069 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.295 -6.423 -8.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.138 -4.253 -9.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.587 -4.398 -9.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.815 -3.486 -8.330 1.00 0.00 H new ATOM 358 N ILE A 26 -2.433 -4.298 -5.023 1.00 0.00 N ATOM 359 CA ILE A 26 -3.537 -4.747 -4.152 1.00 0.00 C ATOM 360 C ILE A 26 -4.067 -6.074 -4.662 1.00 0.00 C ATOM 361 O ILE A 26 -4.032 -6.355 -5.840 1.00 0.00 O ATOM 362 CB ILE A 26 -4.652 -3.705 -4.187 1.00 0.00 C ATOM 363 CG1 ILE A 26 -4.029 -2.307 -4.200 1.00 0.00 C ATOM 364 CG2 ILE A 26 -5.538 -3.860 -2.951 1.00 0.00 C ATOM 365 CD1 ILE A 26 -5.113 -1.267 -4.478 1.00 0.00 C ATOM 0 H ILE A 26 -2.717 -3.922 -5.928 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.179 -4.868 -3.129 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.258 -3.846 -5.082 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.551 -2.102 -3.242 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.252 -2.251 -4.963 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.333 -3.115 -2.978 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.976 -4.858 -2.940 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.937 -3.717 -2.053 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.669 -0.272 -4.487 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.571 -1.469 -5.446 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.874 -1.317 -3.699 1.00 0.00 H new ATOM 377 N HIS A 27 -4.560 -6.889 -3.785 1.00 0.00 N ATOM 378 CA HIS A 27 -5.103 -8.200 -4.215 1.00 0.00 C ATOM 379 C HIS A 27 -6.380 -8.503 -3.437 1.00 0.00 C ATOM 380 O HIS A 27 -6.364 -8.683 -2.229 1.00 0.00 O ATOM 381 CB HIS A 27 -4.073 -9.297 -3.946 1.00 0.00 C ATOM 382 CG HIS A 27 -2.726 -8.829 -4.408 1.00 0.00 C ATOM 383 ND1 HIS A 27 -2.115 -7.711 -3.870 1.00 0.00 N ATOM 384 CD2 HIS A 27 -1.865 -9.308 -5.362 1.00 0.00 C ATOM 385 CE1 HIS A 27 -0.942 -7.552 -4.499 1.00 0.00 C ATOM 386 NE2 HIS A 27 -0.736 -8.499 -5.419 1.00 0.00 N ATOM 0 H HIS A 27 -4.612 -6.705 -2.783 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.325 -8.165 -5.282 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.044 -9.533 -2.882 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.353 -10.212 -4.468 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.038 -10.180 -5.975 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.246 -6.754 -4.287 1.00 0.00 H new ATOM 0 HE2 HIS A 27 0.074 -8.605 -6.030 1.00 0.00 H new ATOM 394 N ALA A 28 -7.486 -8.552 -4.119 1.00 0.00 N ATOM 395 CA ALA A 28 -8.776 -8.842 -3.430 1.00 0.00 C ATOM 396 C ALA A 28 -9.225 -10.278 -3.738 1.00 0.00 C ATOM 397 O ALA A 28 -9.034 -10.772 -4.825 1.00 0.00 O ATOM 398 CB ALA A 28 -9.837 -7.859 -3.930 1.00 0.00 C ATOM 0 H ALA A 28 -7.556 -8.404 -5.126 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.645 -8.735 -2.353 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.785 -8.063 -3.432 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.522 -6.839 -3.708 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.961 -7.974 -5.007 1.00 0.00 H new ATOM 404 N VAL A 29 -9.825 -10.950 -2.785 1.00 0.00 N ATOM 405 CA VAL A 29 -10.301 -12.349 -3.026 1.00 0.00 C ATOM 406 C VAL A 29 -11.733 -12.484 -2.491 1.00 0.00 C ATOM 407 O VAL A 29 -11.998 -12.291 -1.322 1.00 0.00 O ATOM 408 CB VAL A 29 -9.370 -13.343 -2.318 1.00 0.00 C ATOM 409 CG1 VAL A 29 -10.117 -14.647 -2.013 1.00 0.00 C ATOM 410 CG2 VAL A 29 -8.181 -13.649 -3.231 1.00 0.00 C ATOM 0 H VAL A 29 -10.006 -10.589 -1.848 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.291 -12.568 -4.094 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.025 -12.904 -1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.445 -15.343 -1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.969 -14.436 -1.367 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.469 -15.091 -2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.514 -14.355 -2.736 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.541 -14.083 -4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.640 -12.727 -3.445 1.00 0.00 H new ATOM 420 N ASP A 30 -12.647 -12.819 -3.356 1.00 0.00 N ATOM 421 CA ASP A 30 -14.076 -12.980 -2.954 1.00 0.00 C ATOM 422 C ASP A 30 -14.381 -14.483 -2.882 1.00 0.00 C ATOM 423 O ASP A 30 -13.488 -15.290 -3.039 1.00 0.00 O ATOM 424 CB ASP A 30 -14.945 -12.282 -4.004 1.00 0.00 C ATOM 425 CG ASP A 30 -15.734 -11.142 -3.366 1.00 0.00 C ATOM 426 OD1 ASP A 30 -15.119 -10.154 -3.006 1.00 0.00 O ATOM 427 OD2 ASP A 30 -16.943 -11.268 -3.267 1.00 0.00 O ATOM 0 H ASP A 30 -12.463 -12.992 -4.344 1.00 0.00 H new ATOM 0 HA ASP A 30 -14.281 -12.535 -1.980 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -14.317 -11.894 -4.806 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -15.630 -13.000 -4.454 1.00 0.00 H new ATOM 432 N PRO A 31 -15.613 -14.826 -2.615 1.00 0.00 N ATOM 433 CA PRO A 31 -16.021 -16.236 -2.482 1.00 0.00 C ATOM 434 C PRO A 31 -16.202 -16.946 -3.835 1.00 0.00 C ATOM 435 O PRO A 31 -17.047 -17.809 -3.964 1.00 0.00 O ATOM 436 CB PRO A 31 -17.355 -16.149 -1.735 1.00 0.00 C ATOM 437 CG PRO A 31 -17.906 -14.725 -1.982 1.00 0.00 C ATOM 438 CD PRO A 31 -16.710 -13.856 -2.415 1.00 0.00 C ATOM 0 HA PRO A 31 -15.261 -16.825 -1.968 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -18.053 -16.903 -2.099 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -17.215 -16.331 -0.669 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.676 -14.736 -2.754 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -18.367 -14.326 -1.078 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.928 -13.306 -3.331 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.456 -13.119 -1.653 1.00 0.00 H new ATOM 446 N ASP A 32 -15.426 -16.626 -4.845 1.00 0.00 N ATOM 447 CA ASP A 32 -15.605 -17.340 -6.143 1.00 0.00 C ATOM 448 C ASP A 32 -14.244 -17.796 -6.678 1.00 0.00 C ATOM 449 O ASP A 32 -14.111 -18.158 -7.830 1.00 0.00 O ATOM 450 CB ASP A 32 -16.259 -16.402 -7.157 1.00 0.00 C ATOM 451 CG ASP A 32 -17.732 -16.779 -7.327 1.00 0.00 C ATOM 452 OD1 ASP A 32 -17.991 -17.869 -7.811 1.00 0.00 O ATOM 453 OD2 ASP A 32 -18.574 -15.972 -6.972 1.00 0.00 O ATOM 0 H ASP A 32 -14.693 -15.917 -4.826 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.241 -18.211 -5.986 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -16.174 -15.369 -6.820 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.743 -16.468 -8.115 1.00 0.00 H new ATOM 458 N GLY A 33 -13.224 -17.755 -5.864 1.00 0.00 N ATOM 459 CA GLY A 33 -11.878 -18.150 -6.346 1.00 0.00 C ATOM 460 C GLY A 33 -11.416 -17.046 -7.278 1.00 0.00 C ATOM 461 O GLY A 33 -10.760 -17.275 -8.275 1.00 0.00 O ATOM 0 H GLY A 33 -13.269 -17.465 -4.887 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.186 -18.269 -5.512 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.917 -19.107 -6.867 1.00 0.00 H new ATOM 465 N VAL A 34 -11.802 -15.839 -6.965 1.00 0.00 N ATOM 466 CA VAL A 34 -11.446 -14.690 -7.826 1.00 0.00 C ATOM 467 C VAL A 34 -11.374 -13.435 -6.967 1.00 0.00 C ATOM 468 O VAL A 34 -11.621 -13.472 -5.778 1.00 0.00 O ATOM 469 CB VAL A 34 -12.538 -14.514 -8.885 1.00 0.00 C ATOM 470 CG1 VAL A 34 -11.903 -14.043 -10.189 1.00 0.00 C ATOM 471 CG2 VAL A 34 -13.254 -15.847 -9.123 1.00 0.00 C ATOM 0 H VAL A 34 -12.354 -15.604 -6.140 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.484 -14.862 -8.309 1.00 0.00 H new ATOM 0 HB VAL A 34 -13.261 -13.776 -8.537 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -12.677 -13.916 -10.946 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -11.397 -13.092 -10.025 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -11.180 -14.784 -10.530 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -14.029 -15.714 -9.877 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -12.535 -16.590 -9.469 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -13.708 -16.187 -8.192 1.00 0.00 H new ATOM 481 N HIS A 35 -11.058 -12.318 -7.554 1.00 0.00 N ATOM 482 CA HIS A 35 -10.998 -11.067 -6.757 1.00 0.00 C ATOM 483 C HIS A 35 -12.355 -10.365 -6.840 1.00 0.00 C ATOM 484 O HIS A 35 -12.456 -9.208 -7.184 1.00 0.00 O ATOM 485 CB HIS A 35 -9.887 -10.173 -7.301 1.00 0.00 C ATOM 486 CG HIS A 35 -8.601 -10.955 -7.319 1.00 0.00 C ATOM 487 ND1 HIS A 35 -7.403 -10.423 -6.872 1.00 0.00 N ATOM 488 CD2 HIS A 35 -8.316 -12.237 -7.718 1.00 0.00 C ATOM 489 CE1 HIS A 35 -6.460 -11.371 -7.012 1.00 0.00 C ATOM 490 NE2 HIS A 35 -6.963 -12.498 -7.523 1.00 0.00 N ATOM 0 H HIS A 35 -10.840 -12.218 -8.545 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.778 -11.289 -5.713 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -10.135 -9.831 -8.306 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -9.780 -9.284 -6.680 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -7.262 -9.482 -6.503 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.033 -12.937 -8.122 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.422 -11.238 -6.744 1.00 0.00 H new ATOM 498 N ARG A 36 -13.397 -11.086 -6.523 1.00 0.00 N ATOM 499 CA ARG A 36 -14.775 -10.533 -6.562 1.00 0.00 C ATOM 500 C ARG A 36 -15.159 -10.244 -8.026 1.00 0.00 C ATOM 501 O ARG A 36 -15.213 -9.122 -8.480 1.00 0.00 O ATOM 502 CB ARG A 36 -14.858 -9.297 -5.631 1.00 0.00 C ATOM 503 CG ARG A 36 -14.910 -7.982 -6.406 1.00 0.00 C ATOM 504 CD ARG A 36 -14.804 -6.810 -5.424 1.00 0.00 C ATOM 505 NE ARG A 36 -16.160 -6.445 -4.914 1.00 0.00 N ATOM 506 CZ ARG A 36 -17.205 -6.516 -5.697 1.00 0.00 C ATOM 507 NH1 ARG A 36 -17.775 -7.667 -5.924 1.00 0.00 N ATOM 508 NH2 ARG A 36 -17.688 -5.432 -6.246 1.00 0.00 N ATOM 0 H ARG A 36 -13.345 -12.062 -6.231 1.00 0.00 H new ATOM 0 HA ARG A 36 -15.505 -11.249 -6.185 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -15.744 -9.379 -5.002 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.995 -9.289 -4.966 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.095 -7.940 -7.129 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -15.840 -7.916 -6.970 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.154 -7.080 -4.592 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.349 -5.951 -5.918 1.00 0.00 H new ATOM 0 HE ARG A 36 -16.272 -6.138 -3.948 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -17.406 -8.513 -5.491 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -18.590 -7.721 -6.535 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -17.250 -4.529 -6.064 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -18.503 -5.489 -6.856 1.00 0.00 H new ATOM 522 N THR A 37 -15.421 -11.283 -8.781 1.00 0.00 N ATOM 523 CA THR A 37 -15.796 -11.092 -10.216 1.00 0.00 C ATOM 524 C THR A 37 -14.944 -9.973 -10.834 1.00 0.00 C ATOM 525 O THR A 37 -15.363 -8.835 -10.899 1.00 0.00 O ATOM 526 CB THR A 37 -17.275 -10.706 -10.305 1.00 0.00 C ATOM 527 OG1 THR A 37 -17.433 -9.352 -9.902 1.00 0.00 O ATOM 528 CG2 THR A 37 -18.101 -11.611 -9.392 1.00 0.00 C ATOM 0 H THR A 37 -15.391 -12.253 -8.466 1.00 0.00 H new ATOM 0 HA THR A 37 -15.621 -12.021 -10.759 1.00 0.00 H new ATOM 0 HB THR A 37 -17.619 -10.824 -11.333 1.00 0.00 H new ATOM 0 HG1 THR A 37 -16.561 -8.980 -9.655 1.00 0.00 H new ATOM 0 HG21 THR A 37 -19.153 -11.333 -9.459 1.00 0.00 H new ATOM 0 HG22 THR A 37 -17.980 -12.649 -9.702 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.760 -11.498 -8.363 1.00 0.00 H new ATOM 536 N ASP A 38 -13.751 -10.276 -11.280 1.00 0.00 N ATOM 537 CA ASP A 38 -12.892 -9.215 -11.879 1.00 0.00 C ATOM 538 C ASP A 38 -13.726 -8.341 -12.817 1.00 0.00 C ATOM 539 O ASP A 38 -14.840 -8.677 -13.168 1.00 0.00 O ATOM 540 CB ASP A 38 -11.753 -9.864 -12.669 1.00 0.00 C ATOM 541 CG ASP A 38 -10.410 -9.386 -12.116 1.00 0.00 C ATOM 542 OD1 ASP A 38 -10.083 -8.229 -12.327 1.00 0.00 O ATOM 543 OD2 ASP A 38 -9.731 -10.184 -11.491 1.00 0.00 O ATOM 0 H ASP A 38 -13.338 -11.208 -11.255 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.479 -8.597 -11.082 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.821 -10.950 -12.600 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.836 -9.606 -13.725 1.00 0.00 H new ATOM 548 N GLY A 39 -13.193 -7.223 -13.229 1.00 0.00 N ATOM 549 CA GLY A 39 -13.953 -6.329 -14.148 1.00 0.00 C ATOM 550 C GLY A 39 -14.652 -5.228 -13.343 1.00 0.00 C ATOM 551 O GLY A 39 -14.655 -4.077 -13.731 1.00 0.00 O ATOM 0 H GLY A 39 -12.265 -6.890 -12.969 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.277 -5.884 -14.879 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.690 -6.907 -14.706 1.00 0.00 H new ATOM 555 N GLY A 40 -15.249 -5.565 -12.229 1.00 0.00 N ATOM 556 CA GLY A 40 -15.945 -4.524 -11.420 1.00 0.00 C ATOM 557 C GLY A 40 -15.714 -4.780 -9.928 1.00 0.00 C ATOM 558 O GLY A 40 -16.630 -5.108 -9.201 1.00 0.00 O ATOM 0 H GLY A 40 -15.284 -6.510 -11.847 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.575 -3.535 -11.689 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -17.013 -4.535 -11.638 1.00 0.00 H new ATOM 562 N ASP A 41 -14.501 -4.631 -9.457 1.00 0.00 N ATOM 563 CA ASP A 41 -14.239 -4.863 -8.009 1.00 0.00 C ATOM 564 C ASP A 41 -14.412 -3.544 -7.258 1.00 0.00 C ATOM 565 O ASP A 41 -13.939 -2.512 -7.689 1.00 0.00 O ATOM 566 CB ASP A 41 -12.806 -5.379 -7.802 1.00 0.00 C ATOM 567 CG ASP A 41 -12.452 -6.402 -8.885 1.00 0.00 C ATOM 568 OD1 ASP A 41 -12.750 -6.148 -10.040 1.00 0.00 O ATOM 569 OD2 ASP A 41 -11.876 -7.420 -8.541 1.00 0.00 O ATOM 0 H ASP A 41 -13.688 -4.361 -10.010 1.00 0.00 H new ATOM 0 HA ASP A 41 -14.940 -5.608 -7.632 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.103 -4.546 -7.834 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.715 -5.835 -6.816 1.00 0.00 H new ATOM 574 N GLY A 42 -15.069 -3.563 -6.131 1.00 0.00 N ATOM 575 CA GLY A 42 -15.246 -2.300 -5.360 1.00 0.00 C ATOM 576 C GLY A 42 -13.942 -1.994 -4.627 1.00 0.00 C ATOM 577 O GLY A 42 -13.915 -1.826 -3.425 1.00 0.00 O ATOM 0 H GLY A 42 -15.489 -4.393 -5.712 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.505 -1.480 -6.030 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -16.066 -2.402 -4.649 1.00 0.00 H new ATOM 581 N PHE A 43 -12.857 -1.936 -5.348 1.00 0.00 N ATOM 582 CA PHE A 43 -11.544 -1.664 -4.710 1.00 0.00 C ATOM 583 C PHE A 43 -11.231 -0.172 -4.767 1.00 0.00 C ATOM 584 O PHE A 43 -10.727 0.326 -5.755 1.00 0.00 O ATOM 585 CB PHE A 43 -10.458 -2.429 -5.466 1.00 0.00 C ATOM 586 CG PHE A 43 -9.662 -3.288 -4.513 1.00 0.00 C ATOM 587 CD1 PHE A 43 -9.466 -2.885 -3.186 1.00 0.00 C ATOM 588 CD2 PHE A 43 -9.111 -4.490 -4.968 1.00 0.00 C ATOM 589 CE1 PHE A 43 -8.720 -3.690 -2.318 1.00 0.00 C ATOM 590 CE2 PHE A 43 -8.364 -5.293 -4.101 1.00 0.00 C ATOM 591 CZ PHE A 43 -8.169 -4.893 -2.775 1.00 0.00 C ATOM 0 H PHE A 43 -12.826 -2.067 -6.359 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.578 -1.983 -3.668 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -10.912 -3.053 -6.236 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.796 -1.728 -5.974 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.889 -1.956 -2.834 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.263 -4.799 -5.992 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.569 -3.383 -1.294 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.938 -6.220 -4.454 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.593 -5.512 -2.103 1.00 0.00 H new ATOM 601 N VAL A 44 -11.485 0.538 -3.710 1.00 0.00 N ATOM 602 CA VAL A 44 -11.154 1.988 -3.710 1.00 0.00 C ATOM 603 C VAL A 44 -9.892 2.173 -2.864 1.00 0.00 C ATOM 604 O VAL A 44 -9.894 1.963 -1.667 1.00 0.00 O ATOM 605 CB VAL A 44 -12.336 2.833 -3.163 1.00 0.00 C ATOM 606 CG1 VAL A 44 -13.348 1.951 -2.426 1.00 0.00 C ATOM 607 CG2 VAL A 44 -11.831 3.924 -2.203 1.00 0.00 C ATOM 0 H VAL A 44 -11.904 0.183 -2.851 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.975 2.336 -4.727 1.00 0.00 H new ATOM 0 HB VAL A 44 -12.823 3.300 -4.019 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.165 2.568 -2.053 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -13.743 1.201 -3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.857 1.455 -1.589 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.677 4.503 -1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.314 3.459 -1.363 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.143 4.584 -2.732 1.00 0.00 H new ATOM 617 N VAL A 45 -8.813 2.559 -3.482 1.00 0.00 N ATOM 618 CA VAL A 45 -7.547 2.753 -2.729 1.00 0.00 C ATOM 619 C VAL A 45 -7.088 4.189 -2.900 1.00 0.00 C ATOM 620 O VAL A 45 -7.309 4.807 -3.923 1.00 0.00 O ATOM 621 CB VAL A 45 -6.478 1.812 -3.273 1.00 0.00 C ATOM 622 CG1 VAL A 45 -5.288 1.769 -2.309 1.00 0.00 C ATOM 623 CG2 VAL A 45 -7.067 0.413 -3.425 1.00 0.00 C ATOM 0 H VAL A 45 -8.754 2.749 -4.482 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.711 2.538 -1.673 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.138 2.171 -4.244 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.526 1.095 -2.701 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.868 2.770 -2.204 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.622 1.411 -1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.305 -0.262 -3.814 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.408 0.054 -2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.909 0.446 -4.116 1.00 0.00 H new ATOM 633 N THR A 46 -6.452 4.734 -1.910 1.00 0.00 N ATOM 634 CA THR A 46 -5.989 6.134 -2.037 1.00 0.00 C ATOM 635 C THR A 46 -4.887 6.429 -1.027 1.00 0.00 C ATOM 636 O THR A 46 -5.007 6.159 0.154 1.00 0.00 O ATOM 637 CB THR A 46 -7.161 7.090 -1.803 1.00 0.00 C ATOM 638 OG1 THR A 46 -8.291 6.351 -1.359 1.00 0.00 O ATOM 639 CG2 THR A 46 -7.501 7.808 -3.110 1.00 0.00 C ATOM 0 H THR A 46 -6.234 4.275 -1.025 1.00 0.00 H new ATOM 0 HA THR A 46 -5.593 6.276 -3.042 1.00 0.00 H new ATOM 0 HB THR A 46 -6.887 7.825 -1.046 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.042 6.962 -1.207 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.336 8.489 -2.944 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.634 8.373 -3.451 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.776 7.074 -3.867 1.00 0.00 H new ATOM 647 N ILE A 47 -3.829 7.016 -1.493 1.00 0.00 N ATOM 648 CA ILE A 47 -2.713 7.392 -0.596 1.00 0.00 C ATOM 649 C ILE A 47 -2.518 8.890 -0.687 1.00 0.00 C ATOM 650 O ILE A 47 -2.825 9.508 -1.687 1.00 0.00 O ATOM 651 CB ILE A 47 -1.402 6.727 -1.031 1.00 0.00 C ATOM 652 CG1 ILE A 47 -1.307 5.307 -0.450 1.00 0.00 C ATOM 653 CG2 ILE A 47 -0.213 7.584 -0.548 1.00 0.00 C ATOM 654 CD1 ILE A 47 0.143 5.035 -0.031 1.00 0.00 C ATOM 0 H ILE A 47 -3.688 7.255 -2.475 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.958 7.070 0.416 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.376 6.654 -2.118 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.972 5.206 0.408 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.629 4.575 -1.191 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.722 7.115 -0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.281 8.580 -0.986 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.239 7.663 0.539 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.220 4.029 0.383 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.795 5.121 -0.900 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.446 5.761 0.723 1.00 0.00 H new ATOM 666 N GLU A 48 -1.956 9.475 0.319 1.00 0.00 N ATOM 667 CA GLU A 48 -1.696 10.926 0.220 1.00 0.00 C ATOM 668 C GLU A 48 -0.831 11.404 1.386 1.00 0.00 C ATOM 669 O GLU A 48 -0.835 10.843 2.466 1.00 0.00 O ATOM 670 CB GLU A 48 -3.019 11.694 0.205 1.00 0.00 C ATOM 671 CG GLU A 48 -4.066 10.937 1.023 1.00 0.00 C ATOM 672 CD GLU A 48 -5.399 11.687 0.960 1.00 0.00 C ATOM 673 OE1 GLU A 48 -5.382 12.898 1.111 1.00 0.00 O ATOM 674 OE2 GLU A 48 -6.412 11.038 0.763 1.00 0.00 O ATOM 0 H GLU A 48 -1.670 9.025 1.189 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.158 11.116 -0.709 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.875 12.693 0.617 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.366 11.819 -0.821 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.186 9.926 0.634 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.737 10.843 2.058 1.00 0.00 H new ATOM 681 N GLY A 49 -0.097 12.453 1.154 1.00 0.00 N ATOM 682 CA GLY A 49 0.787 13.032 2.201 1.00 0.00 C ATOM 683 C GLY A 49 1.051 14.497 1.839 1.00 0.00 C ATOM 684 O GLY A 49 0.409 15.034 0.960 1.00 0.00 O ATOM 0 H GLY A 49 -0.072 12.945 0.261 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.315 12.961 3.181 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.724 12.478 2.258 1.00 0.00 H new ATOM 688 N PRO A 50 1.985 15.102 2.518 1.00 0.00 N ATOM 689 CA PRO A 50 2.345 16.508 2.271 1.00 0.00 C ATOM 690 C PRO A 50 3.210 16.622 1.010 1.00 0.00 C ATOM 691 O PRO A 50 4.398 16.867 1.084 1.00 0.00 O ATOM 692 CB PRO A 50 3.141 16.898 3.518 1.00 0.00 C ATOM 693 CG PRO A 50 3.668 15.577 4.130 1.00 0.00 C ATOM 694 CD PRO A 50 2.766 14.451 3.588 1.00 0.00 C ATOM 0 HA PRO A 50 1.481 17.152 2.106 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.965 17.563 3.260 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.511 17.432 4.230 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.708 15.408 3.851 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.632 15.613 5.219 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.355 13.619 3.202 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.118 14.049 4.367 1.00 0.00 H new ATOM 702 N ALA A 51 2.628 16.442 -0.148 1.00 0.00 N ATOM 703 CA ALA A 51 3.428 16.537 -1.402 1.00 0.00 C ATOM 704 C ALA A 51 2.498 16.850 -2.580 1.00 0.00 C ATOM 705 O ALA A 51 1.297 16.928 -2.413 1.00 0.00 O ATOM 706 CB ALA A 51 4.140 15.205 -1.644 1.00 0.00 C ATOM 0 H ALA A 51 1.638 16.234 -0.278 1.00 0.00 H new ATOM 0 HA ALA A 51 4.167 17.333 -1.309 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.727 15.268 -2.560 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.800 14.987 -0.804 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.401 14.410 -1.740 1.00 0.00 H new ATOM 712 N PRO A 52 3.083 17.019 -3.741 1.00 0.00 N ATOM 713 CA PRO A 52 2.329 17.325 -4.973 1.00 0.00 C ATOM 714 C PRO A 52 1.626 16.069 -5.502 1.00 0.00 C ATOM 715 O PRO A 52 0.438 16.074 -5.757 1.00 0.00 O ATOM 716 CB PRO A 52 3.408 17.811 -5.945 1.00 0.00 C ATOM 717 CG PRO A 52 4.750 17.239 -5.428 1.00 0.00 C ATOM 718 CD PRO A 52 4.547 16.920 -3.935 1.00 0.00 C ATOM 0 HA PRO A 52 1.541 18.063 -4.822 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.203 17.465 -6.958 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.438 18.900 -5.980 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.028 16.342 -5.981 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.556 17.960 -5.564 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.916 15.925 -3.686 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.082 17.626 -3.300 1.00 0.00 H new ATOM 726 N VAL A 53 2.344 14.993 -5.653 1.00 0.00 N ATOM 727 CA VAL A 53 1.711 13.737 -6.147 1.00 0.00 C ATOM 728 C VAL A 53 1.198 12.951 -4.934 1.00 0.00 C ATOM 729 O VAL A 53 1.852 12.048 -4.454 1.00 0.00 O ATOM 730 CB VAL A 53 2.756 12.903 -6.889 1.00 0.00 C ATOM 731 CG1 VAL A 53 3.013 13.517 -8.266 1.00 0.00 C ATOM 732 CG2 VAL A 53 4.058 12.892 -6.088 1.00 0.00 C ATOM 0 H VAL A 53 3.343 14.927 -5.456 1.00 0.00 H new ATOM 0 HA VAL A 53 0.888 13.966 -6.824 1.00 0.00 H new ATOM 0 HB VAL A 53 2.391 11.883 -7.007 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.758 12.923 -8.796 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.085 13.529 -8.838 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.379 14.537 -8.147 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.804 12.298 -6.615 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.422 13.913 -5.972 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.877 12.458 -5.105 1.00 0.00 H new ATOM 742 N ASP A 54 0.054 13.310 -4.408 1.00 0.00 N ATOM 743 CA ASP A 54 -0.455 12.602 -3.202 1.00 0.00 C ATOM 744 C ASP A 54 -1.434 11.467 -3.583 1.00 0.00 C ATOM 745 O ASP A 54 -1.153 10.317 -3.309 1.00 0.00 O ATOM 746 CB ASP A 54 -1.120 13.629 -2.275 1.00 0.00 C ATOM 747 CG ASP A 54 -0.041 14.363 -1.470 1.00 0.00 C ATOM 748 OD1 ASP A 54 0.920 13.722 -1.076 1.00 0.00 O ATOM 749 OD2 ASP A 54 -0.195 15.556 -1.259 1.00 0.00 O ATOM 0 H ASP A 54 -0.543 14.058 -4.761 1.00 0.00 H new ATOM 0 HA ASP A 54 0.378 12.129 -2.681 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.700 14.342 -2.861 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.816 13.130 -1.601 1.00 0.00 H new ATOM 754 N PRO A 55 -2.554 11.799 -4.191 1.00 0.00 N ATOM 755 CA PRO A 55 -3.563 10.787 -4.591 1.00 0.00 C ATOM 756 C PRO A 55 -3.139 10.046 -5.867 1.00 0.00 C ATOM 757 O PRO A 55 -3.189 10.594 -6.951 1.00 0.00 O ATOM 758 CB PRO A 55 -4.814 11.622 -4.871 1.00 0.00 C ATOM 759 CG PRO A 55 -4.318 13.051 -5.186 1.00 0.00 C ATOM 760 CD PRO A 55 -2.930 13.187 -4.534 1.00 0.00 C ATOM 0 HA PRO A 55 -3.705 10.023 -3.827 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.376 11.211 -5.710 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.482 11.623 -4.010 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.258 13.212 -6.262 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -5.007 13.797 -4.790 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.211 13.637 -5.218 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.966 13.821 -3.648 1.00 0.00 H new ATOM 768 N VAL A 56 -2.719 8.811 -5.761 1.00 0.00 N ATOM 769 CA VAL A 56 -2.299 8.072 -6.974 1.00 0.00 C ATOM 770 C VAL A 56 -2.748 6.612 -6.908 1.00 0.00 C ATOM 771 O VAL A 56 -2.072 5.778 -6.337 1.00 0.00 O ATOM 772 CB VAL A 56 -0.791 8.083 -7.034 1.00 0.00 C ATOM 773 CG1 VAL A 56 -0.339 7.629 -8.424 1.00 0.00 C ATOM 774 CG2 VAL A 56 -0.274 9.497 -6.762 1.00 0.00 C ATOM 0 H VAL A 56 -2.651 8.290 -4.887 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.747 8.548 -7.846 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.391 7.405 -6.280 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.750 7.635 -8.473 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.705 6.620 -8.614 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.740 8.308 -9.177 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.815 9.501 -6.806 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.670 10.180 -7.513 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.598 9.819 -5.772 1.00 0.00 H new ATOM 784 N MET A 57 -3.859 6.279 -7.496 1.00 0.00 N ATOM 785 CA MET A 57 -4.296 4.853 -7.462 1.00 0.00 C ATOM 786 C MET A 57 -4.893 4.438 -8.812 1.00 0.00 C ATOM 787 O MET A 57 -5.651 5.166 -9.422 1.00 0.00 O ATOM 788 CB MET A 57 -5.317 4.649 -6.342 1.00 0.00 C ATOM 789 CG MET A 57 -6.654 5.278 -6.742 1.00 0.00 C ATOM 790 SD MET A 57 -7.668 4.047 -7.602 1.00 0.00 S ATOM 791 CE MET A 57 -8.593 5.201 -8.646 1.00 0.00 C ATOM 0 H MET A 57 -4.478 6.919 -7.993 1.00 0.00 H new ATOM 0 HA MET A 57 -3.427 4.225 -7.268 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.449 3.585 -6.146 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.954 5.100 -5.419 1.00 0.00 H new ATOM 0 HG2 MET A 57 -7.177 5.641 -5.857 1.00 0.00 H new ATOM 0 HG3 MET A 57 -6.484 6.140 -7.387 1.00 0.00 H new ATOM 0 HE1 MET A 57 -9.638 4.893 -8.691 1.00 0.00 H new ATOM 0 HE2 MET A 57 -8.528 6.204 -8.225 1.00 0.00 H new ATOM 0 HE3 MET A 57 -8.171 5.201 -9.651 1.00 0.00 H new ATOM 801 N VAL A 58 -4.539 3.266 -9.283 1.00 0.00 N ATOM 802 CA VAL A 58 -5.065 2.791 -10.596 1.00 0.00 C ATOM 803 C VAL A 58 -5.503 1.322 -10.494 1.00 0.00 C ATOM 804 O VAL A 58 -5.039 0.572 -9.650 1.00 0.00 O ATOM 805 CB VAL A 58 -3.984 2.893 -11.674 1.00 0.00 C ATOM 806 CG1 VAL A 58 -4.619 3.366 -12.983 1.00 0.00 C ATOM 807 CG2 VAL A 58 -2.899 3.887 -11.245 1.00 0.00 C ATOM 0 H VAL A 58 -3.907 2.619 -8.812 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.916 3.419 -10.862 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.529 1.913 -11.816 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.852 3.440 -13.754 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.381 2.652 -13.297 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.078 4.343 -12.833 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.136 3.950 -12.021 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.345 4.870 -11.094 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.443 3.549 -10.314 1.00 0.00 H new ATOM 817 N ASP A 59 -6.386 0.911 -11.367 1.00 0.00 N ATOM 818 CA ASP A 59 -6.870 -0.498 -11.364 1.00 0.00 C ATOM 819 C ASP A 59 -6.583 -1.127 -12.733 1.00 0.00 C ATOM 820 O ASP A 59 -6.898 -0.561 -13.762 1.00 0.00 O ATOM 821 CB ASP A 59 -8.381 -0.498 -11.104 1.00 0.00 C ATOM 822 CG ASP A 59 -8.931 -1.925 -11.190 1.00 0.00 C ATOM 823 OD1 ASP A 59 -8.520 -2.650 -12.081 1.00 0.00 O ATOM 824 OD2 ASP A 59 -9.762 -2.264 -10.365 1.00 0.00 O ATOM 0 H ASP A 59 -6.796 1.501 -12.091 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.363 -1.071 -10.588 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.588 -0.079 -10.119 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.883 0.138 -11.833 1.00 0.00 H new ATOM 829 N ASN A 60 -5.975 -2.284 -12.759 1.00 0.00 N ATOM 830 CA ASN A 60 -5.660 -2.927 -14.073 1.00 0.00 C ATOM 831 C ASN A 60 -6.825 -3.803 -14.550 1.00 0.00 C ATOM 832 O ASN A 60 -7.004 -4.005 -15.735 1.00 0.00 O ATOM 833 CB ASN A 60 -4.397 -3.780 -13.934 1.00 0.00 C ATOM 834 CG ASN A 60 -3.194 -2.867 -13.691 1.00 0.00 C ATOM 835 OD1 ASN A 60 -3.354 -1.693 -13.424 1.00 0.00 O ATOM 836 ND2 ASN A 60 -1.989 -3.358 -13.775 1.00 0.00 N ATOM 0 H ASN A 60 -5.684 -2.810 -11.935 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.497 -2.142 -14.812 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.508 -4.482 -13.108 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.243 -4.371 -14.836 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.181 -2.756 -13.616 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.855 -4.344 -13.999 1.00 0.00 H new ATOM 843 N GLY A 61 -7.632 -4.312 -13.661 1.00 0.00 N ATOM 844 CA GLY A 61 -8.779 -5.148 -14.110 1.00 0.00 C ATOM 845 C GLY A 61 -8.417 -6.640 -14.069 1.00 0.00 C ATOM 846 O GLY A 61 -8.837 -7.408 -14.912 1.00 0.00 O ATOM 0 H GLY A 61 -7.548 -4.187 -12.652 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.643 -4.961 -13.472 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.065 -4.866 -15.123 1.00 0.00 H new ATOM 850 N ASP A 62 -7.648 -7.064 -13.099 1.00 0.00 N ATOM 851 CA ASP A 62 -7.280 -8.505 -13.020 1.00 0.00 C ATOM 852 C ASP A 62 -7.303 -8.961 -11.558 1.00 0.00 C ATOM 853 O ASP A 62 -6.606 -9.878 -11.174 1.00 0.00 O ATOM 854 CB ASP A 62 -5.874 -8.707 -13.591 1.00 0.00 C ATOM 855 CG ASP A 62 -4.958 -7.582 -13.104 1.00 0.00 C ATOM 856 OD1 ASP A 62 -5.366 -6.855 -12.213 1.00 0.00 O ATOM 857 OD2 ASP A 62 -3.863 -7.468 -13.630 1.00 0.00 O ATOM 0 H ASP A 62 -7.261 -6.475 -12.362 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.996 -9.091 -13.596 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.478 -9.673 -13.278 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.910 -8.715 -14.680 1.00 0.00 H new ATOM 862 N GLY A 63 -8.100 -8.325 -10.737 1.00 0.00 N ATOM 863 CA GLY A 63 -8.164 -8.724 -9.301 1.00 0.00 C ATOM 864 C GLY A 63 -7.003 -8.084 -8.529 1.00 0.00 C ATOM 865 O GLY A 63 -6.967 -8.096 -7.304 1.00 0.00 O ATOM 0 H GLY A 63 -8.707 -7.549 -11.000 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.115 -8.411 -8.870 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.116 -9.809 -9.214 1.00 0.00 H new ATOM 869 N THR A 64 -6.055 -7.523 -9.238 1.00 0.00 N ATOM 870 CA THR A 64 -4.896 -6.883 -8.565 1.00 0.00 C ATOM 871 C THR A 64 -4.811 -5.417 -9.006 1.00 0.00 C ATOM 872 O THR A 64 -4.771 -5.123 -10.184 1.00 0.00 O ATOM 873 CB THR A 64 -3.610 -7.607 -8.968 1.00 0.00 C ATOM 874 OG1 THR A 64 -3.487 -7.593 -10.383 1.00 0.00 O ATOM 875 CG2 THR A 64 -3.660 -9.053 -8.474 1.00 0.00 C ATOM 0 H THR A 64 -6.039 -7.483 -10.257 1.00 0.00 H new ATOM 0 HA THR A 64 -5.021 -6.939 -7.484 1.00 0.00 H new ATOM 0 HB THR A 64 -2.753 -7.103 -8.522 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.002 -6.844 -10.749 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.743 -9.568 -8.762 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.757 -9.063 -7.388 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.516 -9.560 -8.919 1.00 0.00 H new ATOM 883 N TYR A 65 -4.786 -4.492 -8.083 1.00 0.00 N ATOM 884 CA TYR A 65 -4.712 -3.057 -8.479 1.00 0.00 C ATOM 885 C TYR A 65 -3.449 -2.442 -7.888 1.00 0.00 C ATOM 886 O TYR A 65 -2.892 -2.955 -6.944 1.00 0.00 O ATOM 887 CB TYR A 65 -5.969 -2.342 -7.989 1.00 0.00 C ATOM 888 CG TYR A 65 -7.159 -3.125 -8.489 1.00 0.00 C ATOM 889 CD1 TYR A 65 -7.101 -3.726 -9.751 1.00 0.00 C ATOM 890 CD2 TYR A 65 -8.306 -3.270 -7.699 1.00 0.00 C ATOM 891 CE1 TYR A 65 -8.180 -4.465 -10.228 1.00 0.00 C ATOM 892 CE2 TYR A 65 -9.389 -4.014 -8.180 1.00 0.00 C ATOM 893 CZ TYR A 65 -9.325 -4.611 -9.444 1.00 0.00 C ATOM 894 OH TYR A 65 -10.391 -5.343 -9.920 1.00 0.00 O ATOM 0 H TYR A 65 -4.813 -4.667 -7.079 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.663 -2.956 -9.563 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.978 -2.284 -6.901 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.999 -1.319 -8.363 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.215 -3.616 -10.358 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.354 -2.810 -6.723 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.131 -4.925 -11.204 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.276 -4.128 -7.575 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.047 -4.739 -10.326 1.00 0.00 H new ATOM 904 N ASP A 66 -2.959 -1.373 -8.449 1.00 0.00 N ATOM 905 CA ASP A 66 -1.705 -0.794 -7.908 1.00 0.00 C ATOM 906 C ASP A 66 -1.901 0.673 -7.560 1.00 0.00 C ATOM 907 O ASP A 66 -2.740 1.357 -8.110 1.00 0.00 O ATOM 908 CB ASP A 66 -0.594 -0.926 -8.952 1.00 0.00 C ATOM 909 CG ASP A 66 -0.845 0.060 -10.094 1.00 0.00 C ATOM 910 OD1 ASP A 66 -0.439 1.204 -9.961 1.00 0.00 O ATOM 911 OD2 ASP A 66 -1.439 -0.343 -11.080 1.00 0.00 O ATOM 0 H ASP A 66 -3.366 -0.883 -9.246 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.430 -1.335 -7.002 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.375 -0.729 -8.494 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.563 -1.945 -9.338 1.00 0.00 H new ATOM 916 N VAL A 67 -1.116 1.154 -6.646 1.00 0.00 N ATOM 917 CA VAL A 67 -1.216 2.574 -6.237 1.00 0.00 C ATOM 918 C VAL A 67 0.215 3.116 -6.087 1.00 0.00 C ATOM 919 O VAL A 67 1.118 2.372 -5.746 1.00 0.00 O ATOM 920 CB VAL A 67 -1.986 2.642 -4.915 1.00 0.00 C ATOM 921 CG1 VAL A 67 -3.165 1.668 -4.963 1.00 0.00 C ATOM 922 CG2 VAL A 67 -1.088 2.232 -3.776 1.00 0.00 C ATOM 0 H VAL A 67 -0.400 0.616 -6.158 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.748 3.177 -6.972 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.337 3.663 -4.766 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.714 1.715 -4.023 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.828 1.939 -5.785 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.794 0.655 -5.116 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.643 2.283 -2.839 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.740 1.212 -3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.232 2.905 -3.728 1.00 0.00 H new ATOM 932 N GLU A 68 0.461 4.380 -6.360 1.00 0.00 N ATOM 933 CA GLU A 68 1.873 4.864 -6.241 1.00 0.00 C ATOM 934 C GLU A 68 1.966 6.366 -5.994 1.00 0.00 C ATOM 935 O GLU A 68 1.509 7.166 -6.768 1.00 0.00 O ATOM 936 CB GLU A 68 2.621 4.581 -7.536 1.00 0.00 C ATOM 937 CG GLU A 68 2.224 3.208 -8.085 1.00 0.00 C ATOM 938 CD GLU A 68 2.914 2.979 -9.431 1.00 0.00 C ATOM 939 OE1 GLU A 68 4.004 3.495 -9.611 1.00 0.00 O ATOM 940 OE2 GLU A 68 2.339 2.294 -10.260 1.00 0.00 O ATOM 0 H GLU A 68 -0.229 5.073 -6.650 1.00 0.00 H new ATOM 0 HA GLU A 68 2.305 4.337 -5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.396 5.354 -8.271 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.696 4.613 -7.358 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.509 2.426 -7.381 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.142 3.151 -8.204 1.00 0.00 H new ATOM 947 N PHE A 69 2.654 6.746 -4.971 1.00 0.00 N ATOM 948 CA PHE A 69 2.869 8.202 -4.701 1.00 0.00 C ATOM 949 C PHE A 69 4.355 8.398 -4.371 1.00 0.00 C ATOM 950 O PHE A 69 5.029 7.479 -3.938 1.00 0.00 O ATOM 951 CB PHE A 69 2.002 8.705 -3.531 1.00 0.00 C ATOM 952 CG PHE A 69 2.551 8.192 -2.235 1.00 0.00 C ATOM 953 CD1 PHE A 69 2.605 6.818 -1.991 1.00 0.00 C ATOM 954 CD2 PHE A 69 3.000 9.098 -1.270 1.00 0.00 C ATOM 955 CE1 PHE A 69 3.107 6.353 -0.775 1.00 0.00 C ATOM 956 CE2 PHE A 69 3.501 8.631 -0.058 1.00 0.00 C ATOM 957 CZ PHE A 69 3.551 7.251 0.185 1.00 0.00 C ATOM 0 H PHE A 69 3.086 6.114 -4.297 1.00 0.00 H new ATOM 0 HA PHE A 69 2.579 8.777 -5.581 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.983 9.795 -3.523 1.00 0.00 H new ATOM 0 HB3 PHE A 69 0.973 8.370 -3.659 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.260 6.119 -2.739 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.958 10.160 -1.464 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.150 5.292 -0.581 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.849 9.327 0.691 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.937 6.885 1.125 1.00 0.00 H new ATOM 967 N GLU A 70 4.892 9.568 -4.583 1.00 0.00 N ATOM 968 CA GLU A 70 6.340 9.763 -4.277 1.00 0.00 C ATOM 969 C GLU A 70 6.608 11.236 -3.900 1.00 0.00 C ATOM 970 O GLU A 70 6.552 12.108 -4.743 1.00 0.00 O ATOM 971 CB GLU A 70 7.161 9.356 -5.504 1.00 0.00 C ATOM 972 CG GLU A 70 6.869 10.299 -6.673 1.00 0.00 C ATOM 973 CD GLU A 70 8.119 11.119 -6.992 1.00 0.00 C ATOM 974 OE1 GLU A 70 8.344 12.108 -6.314 1.00 0.00 O ATOM 975 OE2 GLU A 70 8.832 10.743 -7.908 1.00 0.00 O ATOM 0 H GLU A 70 4.403 10.385 -4.948 1.00 0.00 H new ATOM 0 HA GLU A 70 6.630 9.142 -3.429 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.224 9.381 -5.264 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.922 8.331 -5.786 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.564 9.726 -7.549 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.041 10.962 -6.421 1.00 0.00 H new ATOM 982 N PRO A 71 6.873 11.469 -2.630 1.00 0.00 N ATOM 983 CA PRO A 71 7.132 12.828 -2.096 1.00 0.00 C ATOM 984 C PRO A 71 8.564 13.315 -2.388 1.00 0.00 C ATOM 985 O PRO A 71 9.244 12.813 -3.260 1.00 0.00 O ATOM 986 CB PRO A 71 6.926 12.661 -0.589 1.00 0.00 C ATOM 987 CG PRO A 71 7.129 11.157 -0.282 1.00 0.00 C ATOM 988 CD PRO A 71 6.932 10.403 -1.609 1.00 0.00 C ATOM 0 HA PRO A 71 6.481 13.573 -2.553 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.636 13.270 -0.030 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.928 12.986 -0.295 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.125 10.976 0.122 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.415 10.815 0.467 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.754 9.714 -1.801 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.016 9.812 -1.598 1.00 0.00 H new ATOM 996 N LYS A 72 9.007 14.310 -1.651 1.00 0.00 N ATOM 997 CA LYS A 72 10.383 14.879 -1.854 1.00 0.00 C ATOM 998 C LYS A 72 11.009 15.262 -0.503 1.00 0.00 C ATOM 999 O LYS A 72 12.058 14.776 -0.145 1.00 0.00 O ATOM 1000 CB LYS A 72 10.308 16.126 -2.739 1.00 0.00 C ATOM 1001 CG LYS A 72 8.918 16.765 -2.632 1.00 0.00 C ATOM 1002 CD LYS A 72 8.852 18.005 -3.527 1.00 0.00 C ATOM 1003 CE LYS A 72 9.194 19.248 -2.703 1.00 0.00 C ATOM 1004 NZ LYS A 72 8.076 19.544 -1.763 1.00 0.00 N ATOM 0 H LYS A 72 8.468 14.757 -0.909 1.00 0.00 H new ATOM 0 HA LYS A 72 11.000 14.121 -2.336 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.071 16.843 -2.436 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.515 15.859 -3.775 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.153 16.048 -2.930 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.712 17.039 -1.598 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.549 17.904 -4.359 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.855 18.104 -3.957 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.117 19.086 -2.147 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.364 20.099 -3.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.944 20.573 -1.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.201 19.106 -2.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.302 19.160 -0.823 1.00 0.00 H new ATOM 1018 N GLU A 73 10.394 16.132 0.255 1.00 0.00 N ATOM 1019 CA GLU A 73 10.997 16.525 1.550 1.00 0.00 C ATOM 1020 C GLU A 73 10.544 15.541 2.629 1.00 0.00 C ATOM 1021 O GLU A 73 10.422 14.360 2.383 1.00 0.00 O ATOM 1022 CB GLU A 73 10.526 17.943 1.888 1.00 0.00 C ATOM 1023 CG GLU A 73 9.004 17.944 2.058 1.00 0.00 C ATOM 1024 CD GLU A 73 8.628 18.779 3.284 1.00 0.00 C ATOM 1025 OE1 GLU A 73 8.582 18.218 4.366 1.00 0.00 O ATOM 1026 OE2 GLU A 73 8.393 19.965 3.119 1.00 0.00 O ATOM 0 H GLU A 73 9.506 16.581 0.030 1.00 0.00 H new ATOM 0 HA GLU A 73 12.085 16.507 1.494 1.00 0.00 H new ATOM 0 HB2 GLU A 73 11.006 18.289 2.803 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.815 18.633 1.096 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.528 18.353 1.167 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.640 16.923 2.174 1.00 0.00 H new ATOM 1033 N ALA A 74 10.290 16.004 3.817 1.00 0.00 N ATOM 1034 CA ALA A 74 9.843 15.074 4.887 1.00 0.00 C ATOM 1035 C ALA A 74 8.318 15.024 4.868 1.00 0.00 C ATOM 1036 O ALA A 74 7.659 16.038 4.739 1.00 0.00 O ATOM 1037 CB ALA A 74 10.348 15.564 6.244 1.00 0.00 C ATOM 0 H ALA A 74 10.372 16.982 4.094 1.00 0.00 H new ATOM 0 HA ALA A 74 10.246 14.075 4.717 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.017 14.879 7.024 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.437 15.604 6.234 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.950 16.559 6.443 1.00 0.00 H new ATOM 1043 N GLY A 75 7.749 13.856 4.950 1.00 0.00 N ATOM 1044 CA GLY A 75 6.268 13.759 4.886 1.00 0.00 C ATOM 1045 C GLY A 75 5.788 12.436 5.479 1.00 0.00 C ATOM 1046 O GLY A 75 6.531 11.485 5.602 1.00 0.00 O ATOM 0 H GLY A 75 8.242 12.970 5.058 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.820 14.591 5.430 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.938 13.840 3.850 1.00 0.00 H new ATOM 1050 N ASP A 76 4.540 12.375 5.836 1.00 0.00 N ATOM 1051 CA ASP A 76 3.972 11.126 6.406 1.00 0.00 C ATOM 1052 C ASP A 76 2.960 10.599 5.406 1.00 0.00 C ATOM 1053 O ASP A 76 2.452 11.331 4.581 1.00 0.00 O ATOM 1054 CB ASP A 76 3.278 11.433 7.736 1.00 0.00 C ATOM 1055 CG ASP A 76 2.251 12.549 7.527 1.00 0.00 C ATOM 1056 OD1 ASP A 76 1.603 12.546 6.493 1.00 0.00 O ATOM 1057 OD2 ASP A 76 2.132 13.388 8.404 1.00 0.00 O ATOM 0 H ASP A 76 3.880 13.148 5.756 1.00 0.00 H new ATOM 0 HA ASP A 76 4.755 10.390 6.591 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.787 10.538 8.118 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.013 11.735 8.482 1.00 0.00 H new ATOM 1062 N TYR A 77 2.687 9.334 5.435 1.00 0.00 N ATOM 1063 CA TYR A 77 1.737 8.783 4.441 1.00 0.00 C ATOM 1064 C TYR A 77 0.491 8.270 5.116 1.00 0.00 C ATOM 1065 O TYR A 77 0.536 7.511 6.061 1.00 0.00 O ATOM 1066 CB TYR A 77 2.353 7.605 3.702 1.00 0.00 C ATOM 1067 CG TYR A 77 3.735 7.944 3.241 1.00 0.00 C ATOM 1068 CD1 TYR A 77 4.061 9.263 2.938 1.00 0.00 C ATOM 1069 CD2 TYR A 77 4.679 6.927 3.079 1.00 0.00 C ATOM 1070 CE1 TYR A 77 5.336 9.574 2.465 1.00 0.00 C ATOM 1071 CE2 TYR A 77 5.955 7.232 2.607 1.00 0.00 C ATOM 1072 CZ TYR A 77 6.287 8.558 2.296 1.00 0.00 C ATOM 1073 OH TYR A 77 7.549 8.863 1.828 1.00 0.00 O ATOM 0 H TYR A 77 3.075 8.661 6.096 1.00 0.00 H new ATOM 0 HA TYR A 77 1.498 9.592 3.751 1.00 0.00 H new ATOM 0 HB2 TYR A 77 2.384 6.733 4.356 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.732 7.339 2.846 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.328 10.045 3.069 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.421 5.906 3.319 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.590 10.597 2.229 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.687 6.448 2.481 1.00 0.00 H new ATOM 0 HH TYR A 77 7.842 8.169 1.201 1.00 0.00 H new ATOM 1083 N VAL A 78 -0.622 8.636 4.579 1.00 0.00 N ATOM 1084 CA VAL A 78 -1.902 8.134 5.108 1.00 0.00 C ATOM 1085 C VAL A 78 -2.464 7.238 4.030 1.00 0.00 C ATOM 1086 O VAL A 78 -2.518 7.606 2.861 1.00 0.00 O ATOM 1087 CB VAL A 78 -2.854 9.282 5.401 1.00 0.00 C ATOM 1088 CG1 VAL A 78 -2.731 10.332 4.300 1.00 0.00 C ATOM 1089 CG2 VAL A 78 -4.287 8.751 5.463 1.00 0.00 C ATOM 0 H VAL A 78 -0.702 9.271 3.785 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.764 7.598 6.047 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.602 9.737 6.359 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.412 11.157 4.507 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.708 10.706 4.267 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.985 9.884 3.340 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.971 9.573 5.673 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.548 8.297 4.507 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.364 8.004 6.253 1.00 0.00 H new ATOM 1099 N ILE A 79 -2.819 6.049 4.388 1.00 0.00 N ATOM 1100 CA ILE A 79 -3.313 5.104 3.355 1.00 0.00 C ATOM 1101 C ILE A 79 -4.814 4.906 3.427 1.00 0.00 C ATOM 1102 O ILE A 79 -5.458 5.100 4.438 1.00 0.00 O ATOM 1103 CB ILE A 79 -2.615 3.746 3.508 1.00 0.00 C ATOM 1104 CG1 ILE A 79 -1.672 3.755 4.719 1.00 0.00 C ATOM 1105 CG2 ILE A 79 -1.807 3.446 2.244 1.00 0.00 C ATOM 1106 CD1 ILE A 79 -0.802 2.496 4.702 1.00 0.00 C ATOM 0 H ILE A 79 -2.791 5.687 5.341 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.080 5.541 2.384 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.374 2.979 3.659 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.042 4.645 4.696 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.250 3.797 5.642 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.310 2.482 2.350 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.475 3.417 1.383 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.059 4.225 2.097 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.133 2.504 5.563 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.439 1.613 4.746 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.213 2.473 3.785 1.00 0.00 H new ATOM 1118 N ASN A 80 -5.360 4.498 2.327 1.00 0.00 N ATOM 1119 CA ASN A 80 -6.803 4.230 2.246 1.00 0.00 C ATOM 1120 C ASN A 80 -6.993 3.114 1.221 1.00 0.00 C ATOM 1121 O ASN A 80 -6.730 3.277 0.046 1.00 0.00 O ATOM 1122 CB ASN A 80 -7.529 5.490 1.805 1.00 0.00 C ATOM 1123 CG ASN A 80 -6.901 6.712 2.479 1.00 0.00 C ATOM 1124 OD1 ASN A 80 -5.788 7.086 2.169 1.00 0.00 O ATOM 1125 ND2 ASN A 80 -7.572 7.353 3.397 1.00 0.00 N ATOM 0 H ASN A 80 -4.849 4.336 1.459 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.208 3.931 3.213 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.474 5.592 0.721 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.585 5.422 2.065 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.161 8.168 3.853 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.507 7.039 3.658 1.00 0.00 H new ATOM 1132 N LEU A 81 -7.432 1.980 1.665 1.00 0.00 N ATOM 1133 CA LEU A 81 -7.633 0.824 0.752 1.00 0.00 C ATOM 1134 C LEU A 81 -8.958 0.197 1.125 1.00 0.00 C ATOM 1135 O LEU A 81 -9.166 -0.176 2.256 1.00 0.00 O ATOM 1136 CB LEU A 81 -6.495 -0.182 0.957 1.00 0.00 C ATOM 1137 CG LEU A 81 -6.722 -1.486 0.178 1.00 0.00 C ATOM 1138 CD1 LEU A 81 -7.348 -2.514 1.113 1.00 0.00 C ATOM 1139 CD2 LEU A 81 -7.641 -1.268 -1.023 1.00 0.00 C ATOM 0 H LEU A 81 -7.666 1.798 2.641 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.635 1.132 -0.293 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.554 0.268 0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.400 -0.408 2.019 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.760 -1.839 -0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.514 -3.445 0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.678 -2.698 1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.300 -2.136 1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.780 -2.211 -1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.607 -0.899 -0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.192 -0.538 -1.697 1.00 0.00 H new ATOM 1151 N THR A 82 -9.879 0.125 0.219 1.00 0.00 N ATOM 1152 CA THR A 82 -11.211 -0.418 0.599 1.00 0.00 C ATOM 1153 C THR A 82 -11.762 -1.386 -0.445 1.00 0.00 C ATOM 1154 O THR A 82 -11.743 -1.122 -1.631 1.00 0.00 O ATOM 1155 CB THR A 82 -12.159 0.773 0.748 1.00 0.00 C ATOM 1156 OG1 THR A 82 -11.888 1.732 -0.270 1.00 0.00 O ATOM 1157 CG2 THR A 82 -11.941 1.424 2.110 1.00 0.00 C ATOM 0 H THR A 82 -9.777 0.412 -0.754 1.00 0.00 H new ATOM 0 HA THR A 82 -11.117 -0.980 1.528 1.00 0.00 H new ATOM 0 HB THR A 82 -13.189 0.426 0.661 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.392 1.304 -0.999 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.615 2.273 2.219 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.142 0.697 2.897 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.909 1.767 2.188 1.00 0.00 H new ATOM 1165 N LEU A 83 -12.286 -2.499 0.004 1.00 0.00 N ATOM 1166 CA LEU A 83 -12.882 -3.484 -0.961 1.00 0.00 C ATOM 1167 C LEU A 83 -14.199 -4.015 -0.389 1.00 0.00 C ATOM 1168 O LEU A 83 -14.265 -5.132 0.070 1.00 0.00 O ATOM 1169 CB LEU A 83 -11.914 -4.656 -1.197 1.00 0.00 C ATOM 1170 CG LEU A 83 -12.399 -5.553 -2.363 1.00 0.00 C ATOM 1171 CD1 LEU A 83 -13.366 -6.615 -1.834 1.00 0.00 C ATOM 1172 CD2 LEU A 83 -13.122 -4.712 -3.421 1.00 0.00 C ATOM 0 H LEU A 83 -12.329 -2.770 0.986 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.065 -2.984 -1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.919 -4.271 -1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.829 -5.251 -0.287 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.529 -6.031 -2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -13.704 -7.243 -2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -12.859 -7.232 -1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.225 -6.128 -1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -13.456 -5.358 -4.233 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -13.984 -4.222 -2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.440 -3.958 -3.814 1.00 0.00 H new ATOM 1184 N ASP A 84 -15.231 -3.198 -0.412 1.00 0.00 N ATOM 1185 CA ASP A 84 -16.583 -3.580 0.120 1.00 0.00 C ATOM 1186 C ASP A 84 -17.190 -2.358 0.799 1.00 0.00 C ATOM 1187 O ASP A 84 -18.390 -2.232 0.939 1.00 0.00 O ATOM 1188 CB ASP A 84 -16.519 -4.738 1.126 1.00 0.00 C ATOM 1189 CG ASP A 84 -16.532 -6.074 0.383 1.00 0.00 C ATOM 1190 OD1 ASP A 84 -16.231 -6.073 -0.798 1.00 0.00 O ATOM 1191 OD2 ASP A 84 -16.846 -7.073 1.010 1.00 0.00 O ATOM 0 H ASP A 84 -15.189 -2.252 -0.790 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.193 -3.919 -0.718 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -15.615 -4.657 1.730 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -17.366 -4.684 1.810 1.00 0.00 H new ATOM 1196 N GLY A 85 -16.349 -1.462 1.241 1.00 0.00 N ATOM 1197 CA GLY A 85 -16.836 -0.245 1.938 1.00 0.00 C ATOM 1198 C GLY A 85 -16.032 -0.043 3.230 1.00 0.00 C ATOM 1199 O GLY A 85 -16.287 0.874 3.985 1.00 0.00 O ATOM 0 H GLY A 85 -15.335 -1.525 1.146 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.730 0.625 1.291 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.897 -0.344 2.168 1.00 0.00 H new ATOM 1203 N ASP A 86 -15.054 -0.881 3.493 1.00 0.00 N ATOM 1204 CA ASP A 86 -14.248 -0.709 4.729 1.00 0.00 C ATOM 1205 C ASP A 86 -12.776 -0.630 4.329 1.00 0.00 C ATOM 1206 O ASP A 86 -12.434 -0.848 3.186 1.00 0.00 O ATOM 1207 CB ASP A 86 -14.464 -1.905 5.657 1.00 0.00 C ATOM 1208 CG ASP A 86 -14.282 -3.201 4.867 1.00 0.00 C ATOM 1209 OD1 ASP A 86 -13.151 -3.646 4.749 1.00 0.00 O ATOM 1210 OD2 ASP A 86 -15.274 -3.728 4.392 1.00 0.00 O ATOM 0 H ASP A 86 -14.786 -1.670 2.904 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.548 0.199 5.252 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.756 -1.869 6.485 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -15.464 -1.867 6.090 1.00 0.00 H new ATOM 1215 N ASN A 87 -11.896 -0.324 5.240 1.00 0.00 N ATOM 1216 CA ASN A 87 -10.465 -0.244 4.855 1.00 0.00 C ATOM 1217 C ASN A 87 -9.723 -1.471 5.376 1.00 0.00 C ATOM 1218 O ASN A 87 -10.098 -2.055 6.373 1.00 0.00 O ATOM 1219 CB ASN A 87 -9.846 1.023 5.446 1.00 0.00 C ATOM 1220 CG ASN A 87 -10.548 2.252 4.862 1.00 0.00 C ATOM 1221 OD1 ASN A 87 -11.818 2.437 5.099 1.00 0.00 O flip ATOM 1222 ND2 ASN A 87 -9.934 3.051 4.183 1.00 0.00 N flip ATOM 0 H ASN A 87 -12.103 -0.129 6.220 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.385 -0.212 3.768 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.944 1.016 6.532 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.780 1.059 5.222 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -8.941 2.906 3.998 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -10.411 3.866 3.798 1.00 0.00 H new ATOM 1229 N VAL A 88 -8.675 -1.874 4.709 1.00 0.00 N ATOM 1230 CA VAL A 88 -7.933 -3.073 5.184 1.00 0.00 C ATOM 1231 C VAL A 88 -7.262 -2.740 6.531 1.00 0.00 C ATOM 1232 O VAL A 88 -7.277 -1.609 6.971 1.00 0.00 O ATOM 1233 CB VAL A 88 -6.904 -3.496 4.127 1.00 0.00 C ATOM 1234 CG1 VAL A 88 -5.728 -4.235 4.775 1.00 0.00 C ATOM 1235 CG2 VAL A 88 -7.591 -4.438 3.135 1.00 0.00 C ATOM 0 H VAL A 88 -8.306 -1.431 3.868 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.614 -3.910 5.334 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.523 -2.606 3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.012 -4.525 4.006 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.240 -3.580 5.497 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.094 -5.127 5.284 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.875 -4.750 2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.964 -5.315 3.664 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.424 -3.920 2.659 1.00 0.00 H new ATOM 1245 N ASN A 89 -6.709 -3.717 7.209 1.00 0.00 N ATOM 1246 CA ASN A 89 -6.087 -3.444 8.545 1.00 0.00 C ATOM 1247 C ASN A 89 -4.668 -2.880 8.407 1.00 0.00 C ATOM 1248 O ASN A 89 -3.850 -3.017 9.295 1.00 0.00 O ATOM 1249 CB ASN A 89 -6.039 -4.740 9.356 1.00 0.00 C ATOM 1250 CG ASN A 89 -5.463 -5.863 8.492 1.00 0.00 C ATOM 1251 OD1 ASN A 89 -5.960 -6.134 7.416 1.00 0.00 O ATOM 1252 ND2 ASN A 89 -4.429 -6.532 8.919 1.00 0.00 N ATOM 0 H ASN A 89 -6.661 -4.687 6.898 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.698 -2.698 9.054 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -5.426 -4.601 10.247 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.040 -5.006 9.696 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -4.037 -7.283 8.350 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -4.012 -6.305 9.822 1.00 0.00 H new ATOM 1259 N GLY A 90 -4.373 -2.235 7.319 1.00 0.00 N ATOM 1260 CA GLY A 90 -3.012 -1.647 7.143 1.00 0.00 C ATOM 1261 C GLY A 90 -3.119 -0.401 6.263 1.00 0.00 C ATOM 1262 O GLY A 90 -2.162 0.015 5.640 1.00 0.00 O ATOM 0 H GLY A 90 -5.014 -2.087 6.539 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -2.585 -1.388 8.112 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.343 -2.376 6.685 1.00 0.00 H new ATOM 1266 N PHE A 91 -4.290 0.172 6.177 1.00 0.00 N ATOM 1267 CA PHE A 91 -4.472 1.361 5.300 1.00 0.00 C ATOM 1268 C PHE A 91 -4.916 2.619 6.039 1.00 0.00 C ATOM 1269 O PHE A 91 -4.372 3.668 5.773 1.00 0.00 O ATOM 1270 CB PHE A 91 -5.468 1.014 4.223 1.00 0.00 C ATOM 1271 CG PHE A 91 -4.670 0.582 3.041 1.00 0.00 C ATOM 1272 CD1 PHE A 91 -4.314 -0.756 2.900 1.00 0.00 C ATOM 1273 CD2 PHE A 91 -4.254 1.524 2.109 1.00 0.00 C ATOM 1274 CE1 PHE A 91 -3.541 -1.153 1.815 1.00 0.00 C ATOM 1275 CE2 PHE A 91 -3.484 1.139 1.022 1.00 0.00 C ATOM 1276 CZ PHE A 91 -3.122 -0.204 0.866 1.00 0.00 C ATOM 0 H PHE A 91 -5.126 -0.133 6.676 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.496 1.601 4.877 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.136 0.219 4.553 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -6.092 1.874 3.978 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.637 -1.483 3.631 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -4.531 2.561 2.231 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.262 -2.190 1.701 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.164 1.874 0.298 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.524 -0.510 0.021 1.00 0.00 H new ATOM 1286 N PRO A 92 -5.850 2.537 6.957 1.00 0.00 N ATOM 1287 CA PRO A 92 -6.274 3.734 7.680 1.00 0.00 C ATOM 1288 C PRO A 92 -5.174 4.137 8.659 1.00 0.00 C ATOM 1289 O PRO A 92 -5.378 4.937 9.551 1.00 0.00 O ATOM 1290 CB PRO A 92 -7.570 3.316 8.379 1.00 0.00 C ATOM 1291 CG PRO A 92 -7.540 1.774 8.457 1.00 0.00 C ATOM 1292 CD PRO A 92 -6.540 1.300 7.382 1.00 0.00 C ATOM 0 HA PRO A 92 -6.446 4.604 7.046 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.634 3.755 9.375 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -8.441 3.661 7.822 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.231 1.442 9.448 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -8.531 1.357 8.276 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.837 0.571 7.786 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -7.051 0.822 6.546 1.00 0.00 H new ATOM 1300 N LYS A 93 -3.991 3.603 8.473 1.00 0.00 N ATOM 1301 CA LYS A 93 -2.865 3.968 9.357 1.00 0.00 C ATOM 1302 C LYS A 93 -2.009 4.989 8.630 1.00 0.00 C ATOM 1303 O LYS A 93 -2.175 5.235 7.442 1.00 0.00 O ATOM 1304 CB LYS A 93 -2.035 2.722 9.676 1.00 0.00 C ATOM 1305 CG LYS A 93 -0.925 3.086 10.665 1.00 0.00 C ATOM 1306 CD LYS A 93 -0.330 1.807 11.260 1.00 0.00 C ATOM 1307 CE LYS A 93 0.618 1.166 10.245 1.00 0.00 C ATOM 1308 NZ LYS A 93 0.975 -0.207 10.698 1.00 0.00 N ATOM 0 H LYS A 93 -3.766 2.929 7.741 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.236 4.386 10.293 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.673 1.946 10.099 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.603 2.316 8.761 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.148 3.660 10.160 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.324 3.718 11.459 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.207 2.037 12.180 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.126 1.110 11.521 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.144 1.125 9.264 1.00 0.00 H new ATOM 0 HE3 LYS A 93 1.518 1.771 10.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.620 -0.643 10.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.443 -0.156 11.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.112 -0.782 10.777 1.00 0.00 H new ATOM 1322 N THR A 94 -1.109 5.597 9.329 1.00 0.00 N ATOM 1323 CA THR A 94 -0.254 6.610 8.689 1.00 0.00 C ATOM 1324 C THR A 94 1.201 6.228 8.850 1.00 0.00 C ATOM 1325 O THR A 94 1.674 5.975 9.941 1.00 0.00 O ATOM 1326 CB THR A 94 -0.503 7.962 9.345 1.00 0.00 C ATOM 1327 OG1 THR A 94 -1.895 8.241 9.331 1.00 0.00 O ATOM 1328 CG2 THR A 94 0.251 9.037 8.573 1.00 0.00 C ATOM 0 H THR A 94 -0.929 5.435 10.320 1.00 0.00 H new ATOM 0 HA THR A 94 -0.492 6.668 7.627 1.00 0.00 H new ATOM 0 HB THR A 94 -0.152 7.946 10.377 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.059 9.110 9.754 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.077 10.008 9.037 1.00 0.00 H new ATOM 0 HG22 THR A 94 1.318 8.814 8.587 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.102 9.060 7.542 1.00 0.00 H new ATOM 1336 N VAL A 95 1.927 6.209 7.776 1.00 0.00 N ATOM 1337 CA VAL A 95 3.366 5.868 7.890 1.00 0.00 C ATOM 1338 C VAL A 95 4.140 7.186 7.873 1.00 0.00 C ATOM 1339 O VAL A 95 3.669 8.172 7.340 1.00 0.00 O ATOM 1340 CB VAL A 95 3.790 4.939 6.744 1.00 0.00 C ATOM 1341 CG1 VAL A 95 5.306 4.820 6.682 1.00 0.00 C ATOM 1342 CG2 VAL A 95 3.212 3.550 6.980 1.00 0.00 C ATOM 0 H VAL A 95 1.593 6.412 6.834 1.00 0.00 H new ATOM 0 HA VAL A 95 3.574 5.329 8.814 1.00 0.00 H new ATOM 0 HB VAL A 95 3.420 5.358 5.808 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.586 4.157 5.863 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.742 5.805 6.516 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.678 4.412 7.622 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.512 2.888 6.167 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.586 3.156 7.925 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.124 3.610 7.017 1.00 0.00 H new ATOM 1352 N THR A 96 5.282 7.252 8.497 1.00 0.00 N ATOM 1353 CA THR A 96 5.991 8.561 8.540 1.00 0.00 C ATOM 1354 C THR A 96 7.367 8.522 7.872 1.00 0.00 C ATOM 1355 O THR A 96 8.159 7.622 8.067 1.00 0.00 O ATOM 1356 CB THR A 96 6.162 8.986 10.000 1.00 0.00 C ATOM 1357 OG1 THR A 96 4.883 9.250 10.566 1.00 0.00 O ATOM 1358 CG2 THR A 96 7.033 10.243 10.066 1.00 0.00 C ATOM 0 H THR A 96 5.747 6.477 8.969 1.00 0.00 H new ATOM 0 HA THR A 96 5.382 9.274 7.984 1.00 0.00 H new ATOM 0 HB THR A 96 6.646 8.187 10.562 1.00 0.00 H new ATOM 0 HG1 THR A 96 4.989 9.521 11.502 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.155 10.547 11.106 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.010 10.032 9.632 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.554 11.047 9.507 1.00 0.00 H new ATOM 1366 N VAL A 97 7.652 9.556 7.130 1.00 0.00 N ATOM 1367 CA VAL A 97 8.972 9.715 6.464 1.00 0.00 C ATOM 1368 C VAL A 97 9.550 11.051 6.955 1.00 0.00 C ATOM 1369 O VAL A 97 8.866 12.056 6.958 1.00 0.00 O ATOM 1370 CB VAL A 97 8.792 9.744 4.936 1.00 0.00 C ATOM 1371 CG1 VAL A 97 9.951 10.475 4.302 1.00 0.00 C ATOM 1372 CG2 VAL A 97 8.803 8.331 4.359 1.00 0.00 C ATOM 0 H VAL A 97 7.001 10.321 6.953 1.00 0.00 H new ATOM 0 HA VAL A 97 9.638 8.886 6.703 1.00 0.00 H new ATOM 0 HB VAL A 97 7.841 10.235 4.728 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.821 10.494 3.220 1.00 0.00 H new ATOM 0 HG12 VAL A 97 9.988 11.496 4.681 1.00 0.00 H new ATOM 0 HG13 VAL A 97 10.882 9.963 4.547 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.674 8.379 3.278 1.00 0.00 H new ATOM 0 HG22 VAL A 97 9.754 7.851 4.590 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.989 7.753 4.796 1.00 0.00 H new ATOM 1382 N LYS A 98 10.778 11.079 7.399 1.00 0.00 N ATOM 1383 CA LYS A 98 11.327 12.369 7.917 1.00 0.00 C ATOM 1384 C LYS A 98 12.610 12.799 7.180 1.00 0.00 C ATOM 1385 O LYS A 98 12.608 13.817 6.516 1.00 0.00 O ATOM 1386 CB LYS A 98 11.614 12.232 9.414 1.00 0.00 C ATOM 1387 CG LYS A 98 10.488 12.882 10.218 1.00 0.00 C ATOM 1388 CD LYS A 98 10.470 12.287 11.627 1.00 0.00 C ATOM 1389 CE LYS A 98 9.563 13.123 12.530 1.00 0.00 C ATOM 1390 NZ LYS A 98 8.964 12.247 13.573 1.00 0.00 N ATOM 0 H LYS A 98 11.415 10.283 7.427 1.00 0.00 H new ATOM 0 HA LYS A 98 10.578 13.141 7.741 1.00 0.00 H new ATOM 0 HB2 LYS A 98 11.704 11.179 9.682 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.566 12.705 9.656 1.00 0.00 H new ATOM 0 HG2 LYS A 98 10.636 13.961 10.267 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.530 12.714 9.727 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.115 11.257 11.592 1.00 0.00 H new ATOM 0 HD3 LYS A 98 11.481 12.262 12.034 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.135 13.925 12.997 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.777 13.594 11.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 8.346 12.813 14.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 8.406 11.497 13.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.721 11.818 14.142 1.00 0.00 H new