USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 669 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 26 TYR OH : rot -149:sc= 0.338 USER MOD Set 1.2: A 96 TYR OH : rot 180:sc= -1.24 USER MOD Single : A 23 MET CE :methyl -174:sc= 0 (180deg=-0.0189) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 175:sc= -1.16 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 160:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -133:sc= -1.14 (180deg=-4.54!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.147 K(o=-0.15,f=-4.8!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.0184 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.0191 X(o=-0.019,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot -77:sc= 0.685 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 6.153 8.948 -4.725 1.00 0.00 N ATOM 2 CA MET A 23 5.979 7.511 -4.607 1.00 0.00 C ATOM 3 C MET A 23 6.776 6.956 -3.425 1.00 0.00 C ATOM 4 O MET A 23 7.994 7.115 -3.364 1.00 0.00 O ATOM 5 CB MET A 23 6.442 6.833 -5.899 1.00 0.00 C ATOM 6 CG MET A 23 6.161 5.329 -5.859 1.00 0.00 C ATOM 7 SD MET A 23 7.452 4.444 -6.717 1.00 0.00 S ATOM 8 CE MET A 23 7.101 4.933 -8.397 1.00 0.00 C ATOM 0 HA MET A 23 4.922 7.305 -4.436 1.00 0.00 H new ATOM 0 HB2 MET A 23 5.931 7.280 -6.752 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.509 7.004 -6.042 1.00 0.00 H new ATOM 0 HG2 MET A 23 6.101 4.989 -4.825 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.196 5.119 -6.320 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.750 4.384 -9.079 1.00 0.00 H new ATOM 0 HE2 MET A 23 6.060 4.712 -8.630 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.279 6.003 -8.509 1.00 0.00 H new ATOM 18 N ARG A 24 6.058 6.317 -2.514 1.00 0.00 N ATOM 19 CA ARG A 24 6.682 5.738 -1.337 1.00 0.00 C ATOM 20 C ARG A 24 6.743 4.214 -1.463 1.00 0.00 C ATOM 21 O ARG A 24 5.727 3.569 -1.721 1.00 0.00 O ATOM 22 CB ARG A 24 5.914 6.109 -0.067 1.00 0.00 C ATOM 23 CG ARG A 24 6.488 5.384 1.152 1.00 0.00 C ATOM 24 CD ARG A 24 7.951 5.777 1.383 1.00 0.00 C ATOM 25 NE ARG A 24 8.087 6.477 2.680 1.00 0.00 N ATOM 26 CZ ARG A 24 7.897 7.792 2.847 1.00 0.00 C ATOM 27 NH1 ARG A 24 7.560 8.559 1.800 1.00 0.00 N ATOM 28 NH2 ARG A 24 8.043 8.342 4.061 1.00 0.00 N ATOM 0 H ARG A 24 5.048 6.187 -2.567 1.00 0.00 H new ATOM 0 HA ARG A 24 7.693 6.140 -1.266 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.963 7.187 0.090 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.862 5.851 -0.186 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.898 5.627 2.036 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.415 4.306 1.007 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.581 4.888 1.372 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.295 6.422 0.574 1.00 0.00 H new ATOM 0 HE ARG A 24 8.341 5.923 3.498 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.448 8.141 0.876 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.415 9.561 1.927 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.299 7.759 4.858 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.898 9.344 4.188 1.00 0.00 H new ATOM 42 N GLU A 25 7.943 3.685 -1.275 1.00 0.00 N ATOM 43 CA GLU A 25 8.148 2.249 -1.364 1.00 0.00 C ATOM 44 C GLU A 25 7.952 1.598 0.006 1.00 0.00 C ATOM 45 O GLU A 25 8.501 2.066 1.003 1.00 0.00 O ATOM 46 CB GLU A 25 9.532 1.928 -1.932 1.00 0.00 C ATOM 47 CG GLU A 25 10.633 2.571 -1.086 1.00 0.00 C ATOM 48 CD GLU A 25 11.998 1.954 -1.402 1.00 0.00 C ATOM 49 OE1 GLU A 25 12.160 1.494 -2.553 1.00 0.00 O ATOM 50 OE2 GLU A 25 12.848 1.957 -0.484 1.00 0.00 O ATOM 0 H GLU A 25 8.782 4.224 -1.062 1.00 0.00 H new ATOM 0 HA GLU A 25 7.406 1.837 -2.048 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.675 0.848 -1.962 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.600 2.287 -2.959 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.662 3.644 -1.275 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.407 2.440 -0.028 1.00 0.00 H new ATOM 57 N TYR A 26 7.170 0.530 0.012 1.00 0.00 N ATOM 58 CA TYR A 26 6.895 -0.190 1.244 1.00 0.00 C ATOM 59 C TYR A 26 7.489 -1.598 1.201 1.00 0.00 C ATOM 60 O TYR A 26 7.561 -2.214 0.138 1.00 0.00 O ATOM 61 CB TYR A 26 5.371 -0.295 1.342 1.00 0.00 C ATOM 62 CG TYR A 26 4.654 1.057 1.344 1.00 0.00 C ATOM 63 CD1 TYR A 26 5.030 2.036 2.241 1.00 0.00 C ATOM 64 CD2 TYR A 26 3.629 1.296 0.450 1.00 0.00 C ATOM 65 CE1 TYR A 26 4.354 3.307 2.244 1.00 0.00 C ATOM 66 CE2 TYR A 26 2.954 2.568 0.453 1.00 0.00 C ATOM 67 CZ TYR A 26 3.350 3.510 1.350 1.00 0.00 C ATOM 68 OH TYR A 26 2.711 4.712 1.353 1.00 0.00 O ATOM 0 H TYR A 26 6.717 0.145 -0.817 1.00 0.00 H new ATOM 0 HA TYR A 26 7.334 0.329 2.096 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.003 -0.889 0.505 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.112 -0.834 2.253 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.831 1.849 2.941 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.334 0.529 -0.251 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.638 4.082 2.941 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.152 2.769 -0.241 1.00 0.00 H new ATOM 0 HH TYR A 26 1.778 4.587 1.082 1.00 0.00 H new ATOM 78 N PRO A 27 7.909 -2.082 2.401 1.00 0.00 N ATOM 79 CA PRO A 27 8.495 -3.408 2.510 1.00 0.00 C ATOM 80 C PRO A 27 7.420 -4.493 2.410 1.00 0.00 C ATOM 81 O PRO A 27 6.228 -4.200 2.496 1.00 0.00 O ATOM 82 CB PRO A 27 9.219 -3.410 3.846 1.00 0.00 C ATOM 83 CG PRO A 27 8.628 -2.257 4.643 1.00 0.00 C ATOM 84 CD PRO A 27 7.839 -1.384 3.680 1.00 0.00 C ATOM 0 HA PRO A 27 9.187 -3.630 1.697 1.00 0.00 H new ATOM 0 HB2 PRO A 27 9.077 -4.357 4.366 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.292 -3.280 3.709 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.981 -2.632 5.436 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.418 -1.679 5.123 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.807 -1.265 4.009 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.269 -0.385 3.609 1.00 0.00 H new ATOM 92 N VAL A 28 7.881 -5.722 2.230 1.00 0.00 N ATOM 93 CA VAL A 28 6.973 -6.851 2.118 1.00 0.00 C ATOM 94 C VAL A 28 7.323 -7.889 3.187 1.00 0.00 C ATOM 95 O VAL A 28 8.494 -8.200 3.395 1.00 0.00 O ATOM 96 CB VAL A 28 7.016 -7.418 0.697 1.00 0.00 C ATOM 97 CG1 VAL A 28 6.476 -8.850 0.662 1.00 0.00 C ATOM 98 CG2 VAL A 28 6.251 -6.519 -0.275 1.00 0.00 C ATOM 0 H VAL A 28 8.870 -5.961 2.159 1.00 0.00 H new ATOM 0 HA VAL A 28 5.945 -6.534 2.296 1.00 0.00 H new ATOM 0 HB VAL A 28 8.058 -7.445 0.378 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.517 -9.230 -0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.082 -9.483 1.310 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.443 -8.858 1.010 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.297 -6.945 -1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.210 -6.445 0.040 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.700 -5.526 -0.282 1.00 0.00 H new ATOM 108 N LYS A 29 6.285 -8.395 3.836 1.00 0.00 N ATOM 109 CA LYS A 29 6.468 -9.391 4.879 1.00 0.00 C ATOM 110 C LYS A 29 6.781 -10.743 4.236 1.00 0.00 C ATOM 111 O LYS A 29 6.289 -11.048 3.152 1.00 0.00 O ATOM 112 CB LYS A 29 5.256 -9.420 5.811 1.00 0.00 C ATOM 113 CG LYS A 29 5.467 -10.413 6.955 1.00 0.00 C ATOM 114 CD LYS A 29 6.044 -9.714 8.188 1.00 0.00 C ATOM 115 CE LYS A 29 7.541 -9.451 8.017 1.00 0.00 C ATOM 116 NZ LYS A 29 8.186 -9.248 9.335 1.00 0.00 N ATOM 0 H LYS A 29 5.315 -8.134 3.660 1.00 0.00 H new ATOM 0 HA LYS A 29 7.319 -9.131 5.509 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.081 -8.424 6.217 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.365 -9.695 5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.519 -10.885 7.211 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.142 -11.206 6.633 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.522 -8.772 8.354 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.878 -10.331 9.071 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.007 -10.291 7.503 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.693 -8.571 7.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.202 -9.071 9.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.752 -8.432 9.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.057 -10.099 9.919 1.00 0.00 H new ATOM 130 N LYS A 30 7.601 -11.518 4.934 1.00 0.00 N ATOM 131 CA LYS A 30 7.986 -12.830 4.444 1.00 0.00 C ATOM 132 C LYS A 30 6.789 -13.776 4.537 1.00 0.00 C ATOM 133 O LYS A 30 6.424 -14.218 5.627 1.00 0.00 O ATOM 134 CB LYS A 30 9.227 -13.334 5.183 1.00 0.00 C ATOM 135 CG LYS A 30 10.453 -12.485 4.839 1.00 0.00 C ATOM 136 CD LYS A 30 10.892 -11.644 6.039 1.00 0.00 C ATOM 137 CE LYS A 30 12.309 -11.104 5.842 1.00 0.00 C ATOM 138 NZ LYS A 30 12.714 -10.273 6.996 1.00 0.00 N ATOM 0 H LYS A 30 8.008 -11.262 5.833 1.00 0.00 H new ATOM 0 HA LYS A 30 8.269 -12.776 3.393 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.051 -13.306 6.258 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.415 -14.374 4.918 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.272 -13.133 4.525 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.223 -11.832 3.997 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.199 -10.814 6.179 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.852 -12.249 6.945 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.006 -11.933 5.721 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.355 -10.513 4.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.679 -9.915 6.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.059 -9.471 7.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.690 -10.847 7.863 1.00 0.00 H new ATOM 152 N GLY A 31 6.208 -14.062 3.382 1.00 0.00 N ATOM 153 CA GLY A 31 5.058 -14.948 3.320 1.00 0.00 C ATOM 154 C GLY A 31 3.863 -14.251 2.666 1.00 0.00 C ATOM 155 O GLY A 31 3.186 -14.833 1.820 1.00 0.00 O ATOM 0 H GLY A 31 6.512 -13.695 2.480 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.315 -15.844 2.755 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.789 -15.272 4.326 1.00 0.00 H new ATOM 159 N PHE A 32 3.638 -13.015 3.085 1.00 0.00 N ATOM 160 CA PHE A 32 2.536 -12.232 2.551 1.00 0.00 C ATOM 161 C PHE A 32 2.438 -12.389 1.033 1.00 0.00 C ATOM 162 O PHE A 32 3.403 -12.784 0.381 1.00 0.00 O ATOM 163 CB PHE A 32 2.827 -10.766 2.883 1.00 0.00 C ATOM 164 CG PHE A 32 2.277 -10.314 4.237 1.00 0.00 C ATOM 165 CD1 PHE A 32 2.482 -11.078 5.343 1.00 0.00 C ATOM 166 CD2 PHE A 32 1.585 -9.148 4.334 1.00 0.00 C ATOM 167 CE1 PHE A 32 1.973 -10.657 6.600 1.00 0.00 C ATOM 168 CE2 PHE A 32 1.076 -8.727 5.590 1.00 0.00 C ATOM 169 CZ PHE A 32 1.279 -9.491 6.697 1.00 0.00 C ATOM 0 H PHE A 32 4.200 -12.536 3.788 1.00 0.00 H new ATOM 0 HA PHE A 32 1.595 -12.569 2.986 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.905 -10.608 2.869 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.403 -10.136 2.101 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.032 -12.004 5.265 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.423 -8.542 3.455 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.137 -11.263 7.479 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.527 -7.800 5.667 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.889 -9.172 7.652 1.00 0.00 H new ATOM 179 N PRO A 33 1.228 -12.064 0.499 1.00 0.00 N ATOM 180 CA PRO A 33 0.991 -12.166 -0.931 1.00 0.00 C ATOM 181 C PRO A 33 1.671 -11.020 -1.683 1.00 0.00 C ATOM 182 O PRO A 33 1.708 -9.890 -1.196 1.00 0.00 O ATOM 183 CB PRO A 33 -0.521 -12.160 -1.079 1.00 0.00 C ATOM 184 CG PRO A 33 -1.066 -11.589 0.221 1.00 0.00 C ATOM 185 CD PRO A 33 0.063 -11.594 1.240 1.00 0.00 C ATOM 0 HA PRO A 33 1.417 -13.070 -1.365 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.827 -11.553 -1.931 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.900 -13.167 -1.252 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.437 -10.576 0.067 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.906 -12.185 0.578 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.230 -10.598 1.651 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.164 -12.251 2.079 1.00 0.00 H new ATOM 193 N THR A 34 2.190 -11.349 -2.856 1.00 0.00 N ATOM 194 CA THR A 34 2.866 -10.361 -3.680 1.00 0.00 C ATOM 195 C THR A 34 2.444 -10.508 -5.144 1.00 0.00 C ATOM 196 O THR A 34 3.216 -10.198 -6.049 1.00 0.00 O ATOM 197 CB THR A 34 4.373 -10.517 -3.462 1.00 0.00 C ATOM 198 OG1 THR A 34 4.569 -11.926 -3.386 1.00 0.00 O ATOM 199 CG2 THR A 34 4.824 -10.002 -2.094 1.00 0.00 C ATOM 0 H THR A 34 2.156 -12.287 -3.256 1.00 0.00 H new ATOM 0 HA THR A 34 2.585 -9.347 -3.395 1.00 0.00 H new ATOM 0 HB THR A 34 4.910 -9.982 -4.245 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.520 -12.117 -3.247 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.901 -10.136 -1.992 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.580 -8.943 -2.005 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.313 -10.559 -1.309 1.00 0.00 H new ATOM 207 N ASP A 35 1.220 -10.982 -5.328 1.00 0.00 N ATOM 208 CA ASP A 35 0.687 -11.174 -6.667 1.00 0.00 C ATOM 209 C ASP A 35 -0.532 -10.268 -6.859 1.00 0.00 C ATOM 210 O ASP A 35 -1.262 -9.993 -5.908 1.00 0.00 O ATOM 211 CB ASP A 35 0.239 -12.621 -6.878 1.00 0.00 C ATOM 212 CG ASP A 35 1.373 -13.620 -7.119 1.00 0.00 C ATOM 213 OD1 ASP A 35 2.175 -13.356 -8.041 1.00 0.00 O ATOM 214 OD2 ASP A 35 1.411 -14.625 -6.377 1.00 0.00 O ATOM 0 H ASP A 35 0.583 -11.238 -4.574 1.00 0.00 H new ATOM 0 HA ASP A 35 1.473 -10.932 -7.382 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.328 -12.941 -6.004 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.442 -12.655 -7.729 1.00 0.00 H new ATOM 219 N TYR A 36 -0.713 -9.831 -8.097 1.00 0.00 N ATOM 220 CA TYR A 36 -1.830 -8.963 -8.426 1.00 0.00 C ATOM 221 C TYR A 36 -3.154 -9.571 -7.957 1.00 0.00 C ATOM 222 O TYR A 36 -3.940 -8.909 -7.281 1.00 0.00 O ATOM 223 CB TYR A 36 -1.845 -8.855 -9.952 1.00 0.00 C ATOM 224 CG TYR A 36 -0.975 -7.725 -10.505 1.00 0.00 C ATOM 225 CD1 TYR A 36 0.367 -7.667 -10.184 1.00 0.00 C ATOM 226 CD2 TYR A 36 -1.530 -6.764 -11.324 1.00 0.00 C ATOM 227 CE1 TYR A 36 1.186 -6.603 -10.704 1.00 0.00 C ATOM 228 CE2 TYR A 36 -0.711 -5.699 -11.844 1.00 0.00 C ATOM 229 CZ TYR A 36 0.606 -5.672 -11.509 1.00 0.00 C ATOM 230 OH TYR A 36 1.380 -4.667 -12.000 1.00 0.00 O ATOM 0 H TYR A 36 -0.105 -10.062 -8.883 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.719 -7.994 -7.939 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.507 -9.801 -10.376 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.872 -8.705 -10.285 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.802 -8.420 -9.543 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.579 -6.810 -11.576 1.00 0.00 H new ATOM 0 HE1 TYR A 36 2.237 -6.545 -10.461 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.134 -4.940 -12.485 1.00 0.00 H new ATOM 0 HH TYR A 36 0.833 -4.077 -12.560 1.00 0.00 H new ATOM 240 N ASP A 37 -3.360 -10.823 -8.335 1.00 0.00 N ATOM 241 CA ASP A 37 -4.575 -11.528 -7.962 1.00 0.00 C ATOM 242 C ASP A 37 -4.657 -11.620 -6.438 1.00 0.00 C ATOM 243 O ASP A 37 -5.665 -11.242 -5.841 1.00 0.00 O ATOM 244 CB ASP A 37 -4.582 -12.951 -8.523 1.00 0.00 C ATOM 245 CG ASP A 37 -5.851 -13.340 -9.284 1.00 0.00 C ATOM 246 OD1 ASP A 37 -6.202 -12.593 -10.223 1.00 0.00 O ATOM 247 OD2 ASP A 37 -6.442 -14.376 -8.909 1.00 0.00 O ATOM 0 H ASP A 37 -2.706 -11.368 -8.896 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.423 -10.977 -8.369 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.727 -13.067 -9.189 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.442 -13.651 -7.699 1.00 0.00 H new ATOM 252 N SER A 38 -3.583 -12.129 -5.849 1.00 0.00 N ATOM 253 CA SER A 38 -3.521 -12.275 -4.405 1.00 0.00 C ATOM 254 C SER A 38 -3.920 -10.964 -3.726 1.00 0.00 C ATOM 255 O SER A 38 -4.796 -10.947 -2.865 1.00 0.00 O ATOM 256 CB SER A 38 -2.123 -12.703 -3.954 1.00 0.00 C ATOM 257 OG SER A 38 -1.703 -13.909 -4.586 1.00 0.00 O ATOM 0 H SER A 38 -2.750 -12.445 -6.346 1.00 0.00 H new ATOM 0 HA SER A 38 -4.223 -13.055 -4.111 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.411 -11.909 -4.179 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.117 -12.840 -2.873 1.00 0.00 H new ATOM 0 HG SER A 38 -0.776 -14.105 -4.335 1.00 0.00 H new ATOM 263 N ILE A 39 -3.257 -9.895 -4.141 1.00 0.00 N ATOM 264 CA ILE A 39 -3.529 -8.581 -3.585 1.00 0.00 C ATOM 265 C ILE A 39 -4.960 -8.168 -3.942 1.00 0.00 C ATOM 266 O ILE A 39 -5.666 -7.592 -3.118 1.00 0.00 O ATOM 267 CB ILE A 39 -2.469 -7.576 -4.037 1.00 0.00 C ATOM 268 CG1 ILE A 39 -1.150 -7.799 -3.294 1.00 0.00 C ATOM 269 CG2 ILE A 39 -2.974 -6.139 -3.886 1.00 0.00 C ATOM 270 CD1 ILE A 39 0.020 -7.171 -4.053 1.00 0.00 C ATOM 0 H ILE A 39 -2.531 -9.912 -4.857 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.465 -8.608 -2.497 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.275 -7.740 -5.097 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.214 -7.367 -2.295 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.975 -8.868 -3.169 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.200 -5.445 -4.215 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.867 -6.001 -4.495 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.214 -5.946 -2.841 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.945 -7.344 -3.503 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.096 -7.622 -5.042 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.146 -6.099 -4.155 1.00 0.00 H new ATOM 282 N LYS A 40 -5.341 -8.479 -5.172 1.00 0.00 N ATOM 283 CA LYS A 40 -6.673 -8.147 -5.648 1.00 0.00 C ATOM 284 C LYS A 40 -7.711 -8.670 -4.653 1.00 0.00 C ATOM 285 O LYS A 40 -8.721 -8.014 -4.402 1.00 0.00 O ATOM 286 CB LYS A 40 -6.876 -8.663 -7.075 1.00 0.00 C ATOM 287 CG LYS A 40 -6.655 -7.548 -8.098 1.00 0.00 C ATOM 288 CD LYS A 40 -7.196 -7.948 -9.472 1.00 0.00 C ATOM 289 CE LYS A 40 -8.676 -8.323 -9.391 1.00 0.00 C ATOM 290 NZ LYS A 40 -9.299 -8.265 -10.731 1.00 0.00 N ATOM 0 H LYS A 40 -4.751 -8.957 -5.853 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.799 -7.066 -5.703 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.185 -9.483 -7.271 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.884 -9.064 -7.181 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.149 -6.637 -7.760 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.591 -7.325 -8.173 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.064 -7.124 -10.173 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.624 -8.791 -9.860 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.781 -9.326 -8.978 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.193 -7.643 -8.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.304 -8.522 -10.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.215 -7.301 -11.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.816 -8.931 -11.367 1.00 0.00 H new ATOM 304 N ARG A 41 -7.425 -9.846 -4.113 1.00 0.00 N ATOM 305 CA ARG A 41 -8.322 -10.465 -3.150 1.00 0.00 C ATOM 306 C ARG A 41 -8.181 -9.788 -1.784 1.00 0.00 C ATOM 307 O ARG A 41 -9.170 -9.596 -1.078 1.00 0.00 O ATOM 308 CB ARG A 41 -8.028 -11.959 -3.005 1.00 0.00 C ATOM 309 CG ARG A 41 -8.732 -12.765 -4.098 1.00 0.00 C ATOM 310 CD ARG A 41 -7.892 -12.803 -5.377 1.00 0.00 C ATOM 311 NE ARG A 41 -8.362 -13.896 -6.258 1.00 0.00 N ATOM 312 CZ ARG A 41 -9.430 -13.807 -7.061 1.00 0.00 C ATOM 313 NH1 ARG A 41 -10.146 -12.675 -7.100 1.00 0.00 N ATOM 314 NH2 ARG A 41 -9.782 -14.849 -7.826 1.00 0.00 N ATOM 0 H ARG A 41 -6.586 -10.386 -4.323 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.341 -10.342 -3.517 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.953 -12.129 -3.059 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.357 -12.304 -2.025 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.913 -13.781 -3.747 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.706 -12.323 -4.311 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.964 -11.848 -5.898 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.841 -12.952 -5.128 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.839 -14.772 -6.253 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.877 -11.881 -6.518 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.959 -12.607 -7.712 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.236 -15.710 -7.797 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.596 -14.781 -8.438 1.00 0.00 H new ATOM 328 N LYS A 42 -6.945 -9.446 -1.453 1.00 0.00 N ATOM 329 CA LYS A 42 -6.662 -8.798 -0.185 1.00 0.00 C ATOM 330 C LYS A 42 -7.343 -7.428 -0.156 1.00 0.00 C ATOM 331 O LYS A 42 -7.739 -6.950 0.906 1.00 0.00 O ATOM 332 CB LYS A 42 -5.154 -8.739 0.063 1.00 0.00 C ATOM 333 CG LYS A 42 -4.722 -9.807 1.070 1.00 0.00 C ATOM 334 CD LYS A 42 -4.989 -9.347 2.505 1.00 0.00 C ATOM 335 CE LYS A 42 -3.738 -9.502 3.372 1.00 0.00 C ATOM 336 NZ LYS A 42 -4.081 -10.130 4.668 1.00 0.00 N ATOM 0 H LYS A 42 -6.128 -9.606 -2.042 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.074 -9.379 0.640 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.621 -8.884 -0.877 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.881 -7.751 0.435 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.260 -10.735 0.875 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.661 -10.022 0.945 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.308 -8.305 2.503 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.806 -9.929 2.931 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.000 -10.111 2.850 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.283 -8.526 3.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.221 -10.228 5.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.769 -9.534 5.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.494 -11.070 4.500 1.00 0.00 H new ATOM 350 N ILE A 43 -7.460 -6.834 -1.335 1.00 0.00 N ATOM 351 CA ILE A 43 -8.086 -5.529 -1.458 1.00 0.00 C ATOM 352 C ILE A 43 -9.590 -5.665 -1.211 1.00 0.00 C ATOM 353 O ILE A 43 -10.145 -4.982 -0.351 1.00 0.00 O ATOM 354 CB ILE A 43 -7.738 -4.893 -2.805 1.00 0.00 C ATOM 355 CG1 ILE A 43 -6.232 -4.654 -2.927 1.00 0.00 C ATOM 356 CG2 ILE A 43 -8.542 -3.611 -3.029 1.00 0.00 C ATOM 357 CD1 ILE A 43 -5.799 -4.624 -4.393 1.00 0.00 C ATOM 0 H ILE A 43 -7.131 -7.233 -2.214 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.699 -4.847 -0.701 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.017 -5.591 -3.594 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.970 -3.711 -2.447 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.692 -5.441 -2.400 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.276 -3.179 -3.994 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.607 -3.843 -3.017 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.317 -2.897 -2.237 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.724 -4.453 -4.451 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.041 -5.577 -4.863 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.323 -3.821 -4.911 1.00 0.00 H new ATOM 369 N SER A 44 -10.206 -6.552 -1.979 1.00 0.00 N ATOM 370 CA SER A 44 -11.634 -6.785 -1.855 1.00 0.00 C ATOM 371 C SER A 44 -11.940 -7.447 -0.511 1.00 0.00 C ATOM 372 O SER A 44 -13.010 -7.237 0.059 1.00 0.00 O ATOM 373 CB SER A 44 -12.152 -7.650 -3.005 1.00 0.00 C ATOM 374 OG SER A 44 -13.570 -7.572 -3.135 1.00 0.00 O ATOM 0 H SER A 44 -9.742 -7.118 -2.689 1.00 0.00 H new ATOM 0 HA SER A 44 -12.144 -5.823 -1.903 1.00 0.00 H new ATOM 0 HB2 SER A 44 -11.684 -7.332 -3.937 1.00 0.00 H new ATOM 0 HB3 SER A 44 -11.860 -8.687 -2.839 1.00 0.00 H new ATOM 0 HG SER A 44 -13.862 -8.137 -3.881 1.00 0.00 H new ATOM 380 N GLU A 45 -10.983 -8.235 -0.043 1.00 0.00 N ATOM 381 CA GLU A 45 -11.137 -8.929 1.223 1.00 0.00 C ATOM 382 C GLU A 45 -11.301 -7.923 2.365 1.00 0.00 C ATOM 383 O GLU A 45 -11.884 -8.242 3.399 1.00 0.00 O ATOM 384 CB GLU A 45 -9.955 -9.865 1.482 1.00 0.00 C ATOM 385 CG GLU A 45 -10.179 -11.228 0.823 1.00 0.00 C ATOM 386 CD GLU A 45 -10.234 -12.342 1.871 1.00 0.00 C ATOM 387 OE1 GLU A 45 -9.180 -12.582 2.498 1.00 0.00 O ATOM 388 OE2 GLU A 45 -11.328 -12.928 2.020 1.00 0.00 O ATOM 0 H GLU A 45 -10.098 -8.408 -0.519 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.038 -9.540 1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.040 -9.416 1.095 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.818 -9.994 2.556 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.109 -11.213 0.255 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.376 -11.430 0.115 1.00 0.00 H new ATOM 395 N LEU A 46 -10.774 -6.729 2.137 1.00 0.00 N ATOM 396 CA LEU A 46 -10.854 -5.674 3.134 1.00 0.00 C ATOM 397 C LEU A 46 -12.140 -4.875 2.921 1.00 0.00 C ATOM 398 O LEU A 46 -12.647 -4.248 3.851 1.00 0.00 O ATOM 399 CB LEU A 46 -9.587 -4.818 3.110 1.00 0.00 C ATOM 400 CG LEU A 46 -9.605 -3.618 2.160 1.00 0.00 C ATOM 401 CD1 LEU A 46 -9.706 -2.304 2.937 1.00 0.00 C ATOM 402 CD2 LEU A 46 -8.393 -3.640 1.225 1.00 0.00 C ATOM 0 H LEU A 46 -10.290 -6.469 1.278 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.905 -6.099 4.136 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.400 -4.454 4.120 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.746 -5.457 2.840 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.495 -3.691 1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.717 -1.468 2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.624 -2.298 3.524 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.849 -2.209 3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.430 -2.777 0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.477 -3.604 1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.407 -4.555 0.632 1.00 0.00 H new ATOM 414 N GLY A 47 -12.634 -4.922 1.692 1.00 0.00 N ATOM 415 CA GLY A 47 -13.851 -4.209 1.346 1.00 0.00 C ATOM 416 C GLY A 47 -13.563 -3.081 0.354 1.00 0.00 C ATOM 417 O GLY A 47 -14.230 -2.048 0.372 1.00 0.00 O ATOM 0 H GLY A 47 -12.213 -5.444 0.923 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.573 -4.902 0.914 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.305 -3.798 2.248 1.00 0.00 H new ATOM 421 N PHE A 48 -12.568 -3.316 -0.488 1.00 0.00 N ATOM 422 CA PHE A 48 -12.183 -2.332 -1.487 1.00 0.00 C ATOM 423 C PHE A 48 -12.352 -2.891 -2.900 1.00 0.00 C ATOM 424 O PHE A 48 -12.704 -4.057 -3.074 1.00 0.00 O ATOM 425 CB PHE A 48 -10.706 -2.010 -1.250 1.00 0.00 C ATOM 426 CG PHE A 48 -10.455 -1.084 -0.059 1.00 0.00 C ATOM 427 CD1 PHE A 48 -11.502 -0.511 0.591 1.00 0.00 C ATOM 428 CD2 PHE A 48 -9.183 -0.833 0.350 1.00 0.00 C ATOM 429 CE1 PHE A 48 -11.269 0.349 1.696 1.00 0.00 C ATOM 430 CE2 PHE A 48 -8.948 0.026 1.456 1.00 0.00 C ATOM 431 CZ PHE A 48 -9.996 0.600 2.106 1.00 0.00 C ATOM 0 H PHE A 48 -12.016 -4.174 -0.500 1.00 0.00 H new ATOM 0 HA PHE A 48 -12.812 -1.446 -1.399 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.162 -2.942 -1.094 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -10.296 -1.549 -2.149 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -12.513 -0.710 0.266 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.351 -1.287 -0.167 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -12.102 0.804 2.211 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.937 0.224 1.781 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.818 1.254 2.947 1.00 0.00 H new ATOM 441 N ASP A 49 -12.090 -2.034 -3.876 1.00 0.00 N ATOM 442 CA ASP A 49 -12.208 -2.427 -5.270 1.00 0.00 C ATOM 443 C ASP A 49 -10.842 -2.299 -5.949 1.00 0.00 C ATOM 444 O ASP A 49 -9.952 -1.621 -5.439 1.00 0.00 O ATOM 445 CB ASP A 49 -13.193 -1.525 -6.016 1.00 0.00 C ATOM 446 CG ASP A 49 -14.487 -2.208 -6.462 1.00 0.00 C ATOM 447 OD1 ASP A 49 -15.182 -2.742 -5.571 1.00 0.00 O ATOM 448 OD2 ASP A 49 -14.752 -2.181 -7.682 1.00 0.00 O ATOM 0 H ASP A 49 -11.796 -1.068 -3.729 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.567 -3.456 -5.301 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.448 -0.682 -5.374 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.694 -1.117 -6.895 1.00 0.00 H new ATOM 453 N VAL A 50 -10.720 -2.963 -7.090 1.00 0.00 N ATOM 454 CA VAL A 50 -9.479 -2.932 -7.843 1.00 0.00 C ATOM 455 C VAL A 50 -9.794 -2.804 -9.334 1.00 0.00 C ATOM 456 O VAL A 50 -10.639 -3.529 -9.859 1.00 0.00 O ATOM 457 CB VAL A 50 -8.637 -4.168 -7.516 1.00 0.00 C ATOM 458 CG1 VAL A 50 -9.498 -5.432 -7.509 1.00 0.00 C ATOM 459 CG2 VAL A 50 -7.465 -4.306 -8.489 1.00 0.00 C ATOM 0 H VAL A 50 -11.460 -3.525 -7.510 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.884 -2.064 -7.560 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.226 -4.038 -6.515 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.875 -6.295 -7.274 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.281 -5.334 -6.757 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.952 -5.569 -8.491 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.883 -5.192 -8.234 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.846 -4.402 -9.506 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.830 -3.423 -8.421 1.00 0.00 H new ATOM 469 N LYS A 51 -9.101 -1.875 -9.976 1.00 0.00 N ATOM 470 CA LYS A 51 -9.297 -1.642 -11.397 1.00 0.00 C ATOM 471 C LYS A 51 -8.034 -2.049 -12.156 1.00 0.00 C ATOM 472 O LYS A 51 -6.922 -1.869 -11.660 1.00 0.00 O ATOM 473 CB LYS A 51 -9.727 -0.195 -11.648 1.00 0.00 C ATOM 474 CG LYS A 51 -10.851 0.217 -10.693 1.00 0.00 C ATOM 475 CD LYS A 51 -12.147 -0.523 -11.023 1.00 0.00 C ATOM 476 CE LYS A 51 -13.364 0.376 -10.797 1.00 0.00 C ATOM 477 NZ LYS A 51 -14.617 -0.397 -10.950 1.00 0.00 N ATOM 0 H LYS A 51 -8.403 -1.274 -9.538 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.109 -2.262 -11.776 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.873 0.470 -11.518 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.063 -0.085 -12.679 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.557 0.003 -9.665 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.015 1.293 -10.760 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.125 -0.858 -12.060 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.229 -1.415 -10.402 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.320 0.814 -9.800 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.350 1.202 -11.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.432 0.229 -10.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.665 -0.794 -11.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.635 -1.170 -10.254 1.00 0.00 H new ATOM 491 N SER A 52 -8.245 -2.591 -13.347 1.00 0.00 N ATOM 492 CA SER A 52 -7.136 -3.025 -14.179 1.00 0.00 C ATOM 493 C SER A 52 -6.965 -2.071 -15.363 1.00 0.00 C ATOM 494 O SER A 52 -7.683 -2.175 -16.357 1.00 0.00 O ATOM 495 CB SER A 52 -7.348 -4.455 -14.677 1.00 0.00 C ATOM 496 OG SER A 52 -7.018 -5.422 -13.681 1.00 0.00 O ATOM 0 H SER A 52 -9.168 -2.739 -13.755 1.00 0.00 H new ATOM 0 HA SER A 52 -6.229 -3.010 -13.574 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.388 -4.584 -14.977 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.737 -4.625 -15.564 1.00 0.00 H new ATOM 0 HG SER A 52 -7.168 -6.323 -14.037 1.00 0.00 H new ATOM 502 N GLU A 53 -6.011 -1.162 -15.218 1.00 0.00 N ATOM 503 CA GLU A 53 -5.738 -0.191 -16.263 1.00 0.00 C ATOM 504 C GLU A 53 -4.485 -0.591 -17.045 1.00 0.00 C ATOM 505 O GLU A 53 -3.373 -0.228 -16.667 1.00 0.00 O ATOM 506 CB GLU A 53 -5.595 1.217 -15.679 1.00 0.00 C ATOM 507 CG GLU A 53 -6.761 2.108 -16.109 1.00 0.00 C ATOM 508 CD GLU A 53 -6.586 3.533 -15.578 1.00 0.00 C ATOM 509 OE1 GLU A 53 -5.782 3.693 -14.635 1.00 0.00 O ATOM 510 OE2 GLU A 53 -7.259 4.431 -16.128 1.00 0.00 O ATOM 0 H GLU A 53 -5.418 -1.078 -14.392 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.583 -0.179 -16.951 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.557 1.161 -14.591 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.654 1.658 -16.009 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.827 2.127 -17.197 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.698 1.691 -15.740 1.00 0.00 H new ATOM 517 N GLY A 54 -4.708 -1.332 -18.119 1.00 0.00 N ATOM 518 CA GLY A 54 -3.611 -1.785 -18.957 1.00 0.00 C ATOM 519 C GLY A 54 -2.910 -2.994 -18.336 1.00 0.00 C ATOM 520 O GLY A 54 -3.479 -4.083 -18.277 1.00 0.00 O ATOM 0 H GLY A 54 -5.633 -1.631 -18.429 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.988 -2.047 -19.946 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.894 -0.975 -19.093 1.00 0.00 H new ATOM 524 N ASP A 55 -1.684 -2.763 -17.889 1.00 0.00 N ATOM 525 CA ASP A 55 -0.900 -3.819 -17.275 1.00 0.00 C ATOM 526 C ASP A 55 -0.633 -3.466 -15.810 1.00 0.00 C ATOM 527 O ASP A 55 -0.050 -4.260 -15.072 1.00 0.00 O ATOM 528 CB ASP A 55 0.451 -3.982 -17.975 1.00 0.00 C ATOM 529 CG ASP A 55 0.377 -4.510 -19.410 1.00 0.00 C ATOM 530 OD1 ASP A 55 0.198 -5.738 -19.553 1.00 0.00 O ATOM 531 OD2 ASP A 55 0.499 -3.673 -20.330 1.00 0.00 O ATOM 0 H ASP A 55 -1.215 -1.859 -17.940 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.464 -4.748 -17.359 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.957 -3.017 -17.985 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.069 -4.660 -17.386 1.00 0.00 H new ATOM 536 N LEU A 56 -1.072 -2.274 -15.433 1.00 0.00 N ATOM 537 CA LEU A 56 -0.888 -1.806 -14.070 1.00 0.00 C ATOM 538 C LEU A 56 -2.145 -2.114 -13.256 1.00 0.00 C ATOM 539 O LEU A 56 -3.218 -2.327 -13.819 1.00 0.00 O ATOM 540 CB LEU A 56 -0.497 -0.326 -14.061 1.00 0.00 C ATOM 541 CG LEU A 56 0.754 0.043 -14.861 1.00 0.00 C ATOM 542 CD1 LEU A 56 1.523 1.176 -14.181 1.00 0.00 C ATOM 543 CD2 LEU A 56 1.633 -1.186 -15.100 1.00 0.00 C ATOM 0 H LEU A 56 -1.555 -1.618 -16.048 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.062 -2.334 -13.594 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.335 0.253 -14.448 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.347 -0.017 -13.027 1.00 0.00 H new ATOM 0 HG LEU A 56 0.441 0.409 -15.839 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.408 1.420 -14.769 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.884 2.056 -14.106 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.827 0.862 -13.182 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.515 -0.897 -15.671 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.941 -1.605 -14.142 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.069 -1.934 -15.658 1.00 0.00 H new ATOM 555 N ILE A 57 -1.971 -2.133 -11.942 1.00 0.00 N ATOM 556 CA ILE A 57 -3.079 -2.413 -11.045 1.00 0.00 C ATOM 557 C ILE A 57 -3.487 -1.125 -10.328 1.00 0.00 C ATOM 558 O ILE A 57 -2.632 -0.347 -9.907 1.00 0.00 O ATOM 559 CB ILE A 57 -2.721 -3.558 -10.095 1.00 0.00 C ATOM 560 CG1 ILE A 57 -3.915 -4.493 -9.890 1.00 0.00 C ATOM 561 CG2 ILE A 57 -2.178 -3.022 -8.769 1.00 0.00 C ATOM 562 CD1 ILE A 57 -3.643 -5.491 -8.762 1.00 0.00 C ATOM 0 H ILE A 57 -1.080 -1.959 -11.478 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.948 -2.754 -11.607 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.926 -4.146 -10.553 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.804 -3.907 -9.656 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.123 -5.032 -10.815 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.932 -3.857 -8.113 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.282 -2.430 -8.955 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.933 -2.397 -8.293 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.507 -6.143 -8.637 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.768 -6.091 -9.011 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.460 -4.950 -7.834 1.00 0.00 H new ATOM 574 N ILE A 58 -4.794 -0.939 -10.210 1.00 0.00 N ATOM 575 CA ILE A 58 -5.325 0.242 -9.551 1.00 0.00 C ATOM 576 C ILE A 58 -6.150 -0.186 -8.336 1.00 0.00 C ATOM 577 O ILE A 58 -6.916 -1.145 -8.407 1.00 0.00 O ATOM 578 CB ILE A 58 -6.101 1.107 -10.547 1.00 0.00 C ATOM 579 CG1 ILE A 58 -5.263 1.392 -11.795 1.00 0.00 C ATOM 580 CG2 ILE A 58 -6.600 2.392 -9.884 1.00 0.00 C ATOM 581 CD1 ILE A 58 -4.055 2.267 -11.454 1.00 0.00 C ATOM 0 H ILE A 58 -5.500 -1.586 -10.560 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.514 0.870 -9.182 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.980 0.550 -10.871 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.925 0.453 -12.233 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.878 1.890 -12.545 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.148 2.989 -10.613 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.258 2.140 -9.053 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.750 2.964 -9.513 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.475 2.455 -12.358 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.398 3.215 -11.039 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.430 1.755 -10.722 1.00 0.00 H new ATOM 593 N ALA A 59 -5.964 0.546 -7.247 1.00 0.00 N ATOM 594 CA ALA A 59 -6.681 0.255 -6.018 1.00 0.00 C ATOM 595 C ALA A 59 -7.790 1.291 -5.822 1.00 0.00 C ATOM 596 O ALA A 59 -7.621 2.459 -6.167 1.00 0.00 O ATOM 597 CB ALA A 59 -5.696 0.227 -4.846 1.00 0.00 C ATOM 0 H ALA A 59 -5.327 1.340 -7.191 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.152 -0.727 -6.072 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.234 0.009 -3.924 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.946 -0.544 -5.020 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.206 1.197 -4.759 1.00 0.00 H new ATOM 603 N SER A 60 -8.900 0.825 -5.267 1.00 0.00 N ATOM 604 CA SER A 60 -10.037 1.696 -5.021 1.00 0.00 C ATOM 605 C SER A 60 -10.289 1.814 -3.518 1.00 0.00 C ATOM 606 O SER A 60 -10.883 0.924 -2.912 1.00 0.00 O ATOM 607 CB SER A 60 -11.290 1.179 -5.730 1.00 0.00 C ATOM 608 OG SER A 60 -11.602 1.946 -6.890 1.00 0.00 O ATOM 0 H SER A 60 -9.036 -0.145 -4.981 1.00 0.00 H new ATOM 0 HA SER A 60 -9.806 2.682 -5.423 1.00 0.00 H new ATOM 0 HB2 SER A 60 -11.142 0.137 -6.013 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.134 1.205 -5.040 1.00 0.00 H new ATOM 0 HG SER A 60 -12.407 1.583 -7.315 1.00 0.00 H new ATOM 614 N ILE A 61 -9.824 2.921 -2.957 1.00 0.00 N ATOM 615 CA ILE A 61 -9.992 3.168 -1.535 1.00 0.00 C ATOM 616 C ILE A 61 -10.731 4.493 -1.335 1.00 0.00 C ATOM 617 O ILE A 61 -10.652 5.385 -2.178 1.00 0.00 O ATOM 618 CB ILE A 61 -8.642 3.103 -0.818 1.00 0.00 C ATOM 619 CG1 ILE A 61 -7.800 4.345 -1.118 1.00 0.00 C ATOM 620 CG2 ILE A 61 -7.900 1.810 -1.162 1.00 0.00 C ATOM 621 CD1 ILE A 61 -6.460 4.290 -0.381 1.00 0.00 C ATOM 0 H ILE A 61 -9.331 3.657 -3.462 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.606 2.389 -1.083 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.827 3.092 0.256 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.626 4.420 -2.191 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.346 5.240 -0.820 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.944 1.789 -0.639 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.500 0.953 -0.855 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.727 1.765 -2.237 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.881 5.184 -0.611 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.637 4.239 0.693 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.906 3.407 -0.699 1.00 0.00 H new ATOM 633 N PRO A 62 -11.452 4.580 -0.185 1.00 0.00 N ATOM 634 CA PRO A 62 -12.204 5.781 0.135 1.00 0.00 C ATOM 635 C PRO A 62 -11.274 6.906 0.593 1.00 0.00 C ATOM 636 O PRO A 62 -10.347 6.674 1.368 1.00 0.00 O ATOM 637 CB PRO A 62 -13.190 5.351 1.210 1.00 0.00 C ATOM 638 CG PRO A 62 -12.644 4.052 1.781 1.00 0.00 C ATOM 639 CD PRO A 62 -11.568 3.543 0.835 1.00 0.00 C ATOM 0 HA PRO A 62 -12.728 6.192 -0.728 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -13.279 6.112 1.986 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -14.186 5.205 0.791 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.231 4.216 2.776 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -13.441 3.316 1.884 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.622 3.392 1.355 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.847 2.585 0.396 1.00 0.00 H new ATOM 647 N GLY A 63 -11.551 8.101 0.092 1.00 0.00 N ATOM 648 CA GLY A 63 -10.752 9.262 0.439 1.00 0.00 C ATOM 649 C GLY A 63 -9.735 9.576 -0.659 1.00 0.00 C ATOM 650 O GLY A 63 -9.303 10.719 -0.803 1.00 0.00 O ATOM 0 H GLY A 63 -12.319 8.289 -0.552 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.403 10.123 0.594 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.232 9.082 1.380 1.00 0.00 H new ATOM 654 N ILE A 64 -9.382 8.541 -1.407 1.00 0.00 N ATOM 655 CA ILE A 64 -8.425 8.692 -2.490 1.00 0.00 C ATOM 656 C ILE A 64 -9.157 8.602 -3.830 1.00 0.00 C ATOM 657 O ILE A 64 -10.281 8.107 -3.895 1.00 0.00 O ATOM 658 CB ILE A 64 -7.285 7.679 -2.343 1.00 0.00 C ATOM 659 CG1 ILE A 64 -6.238 8.173 -1.343 1.00 0.00 C ATOM 660 CG2 ILE A 64 -6.669 7.347 -3.703 1.00 0.00 C ATOM 661 CD1 ILE A 64 -6.428 7.513 0.023 1.00 0.00 C ATOM 0 H ILE A 64 -9.742 7.594 -1.284 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.956 9.675 -2.448 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.699 6.753 -1.943 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.239 7.955 -1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -6.311 9.256 -1.241 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.862 6.626 -3.571 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.433 6.922 -4.354 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.272 8.256 -4.155 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.670 7.882 0.714 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -7.419 7.753 0.408 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.330 6.432 -0.078 1.00 0.00 H new ATOM 673 N SER A 65 -8.490 9.090 -4.866 1.00 0.00 N ATOM 674 CA SER A 65 -9.064 9.072 -6.201 1.00 0.00 C ATOM 675 C SER A 65 -8.601 7.822 -6.952 1.00 0.00 C ATOM 676 O SER A 65 -9.416 6.980 -7.326 1.00 0.00 O ATOM 677 CB SER A 65 -8.685 10.333 -6.981 1.00 0.00 C ATOM 678 OG SER A 65 -9.056 10.242 -8.354 1.00 0.00 O ATOM 0 H SER A 65 -7.558 9.500 -4.808 1.00 0.00 H new ATOM 0 HA SER A 65 -10.150 9.050 -6.107 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.171 11.198 -6.530 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.610 10.497 -6.906 1.00 0.00 H new ATOM 0 HG SER A 65 -9.101 11.141 -8.741 1.00 0.00 H new ATOM 684 N ARG A 66 -7.293 7.741 -7.152 1.00 0.00 N ATOM 685 CA ARG A 66 -6.712 6.608 -7.853 1.00 0.00 C ATOM 686 C ARG A 66 -5.252 6.420 -7.438 1.00 0.00 C ATOM 687 O ARG A 66 -4.504 7.391 -7.329 1.00 0.00 O ATOM 688 CB ARG A 66 -6.783 6.804 -9.369 1.00 0.00 C ATOM 689 CG ARG A 66 -6.249 8.181 -9.770 1.00 0.00 C ATOM 690 CD ARG A 66 -7.117 8.807 -10.862 1.00 0.00 C ATOM 691 NE ARG A 66 -7.102 10.283 -10.736 1.00 0.00 N ATOM 692 CZ ARG A 66 -6.027 11.046 -10.977 1.00 0.00 C ATOM 693 NH1 ARG A 66 -4.875 10.480 -11.357 1.00 0.00 N ATOM 694 NH2 ARG A 66 -6.106 12.377 -10.837 1.00 0.00 N ATOM 0 H ARG A 66 -6.620 8.441 -6.841 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.287 5.721 -7.585 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.204 6.026 -9.867 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.815 6.698 -9.705 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.227 8.835 -8.898 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.223 8.088 -10.125 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.748 8.514 -11.845 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.139 8.437 -10.782 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.963 10.747 -10.448 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.815 9.467 -11.463 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.057 11.061 -11.540 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.984 12.808 -10.547 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.288 12.959 -11.020 1.00 0.00 H new ATOM 708 N ILE A 67 -4.890 5.165 -7.214 1.00 0.00 N ATOM 709 CA ILE A 67 -3.533 4.837 -6.814 1.00 0.00 C ATOM 710 C ILE A 67 -3.046 3.630 -7.617 1.00 0.00 C ATOM 711 O ILE A 67 -3.845 2.792 -8.031 1.00 0.00 O ATOM 712 CB ILE A 67 -3.456 4.639 -5.298 1.00 0.00 C ATOM 713 CG1 ILE A 67 -4.461 3.586 -4.831 1.00 0.00 C ATOM 714 CG2 ILE A 67 -3.633 5.970 -4.563 1.00 0.00 C ATOM 715 CD1 ILE A 67 -5.770 4.240 -4.383 1.00 0.00 C ATOM 0 H ILE A 67 -5.514 4.363 -7.302 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.859 5.663 -7.040 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.462 4.265 -5.051 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.659 2.883 -5.640 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.036 3.012 -4.007 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.574 5.802 -3.488 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.846 6.660 -4.866 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.605 6.396 -4.811 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.468 3.470 -4.056 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.571 4.924 -3.558 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.204 4.793 -5.216 1.00 0.00 H new ATOM 727 N GLU A 68 -1.737 3.579 -7.813 1.00 0.00 N ATOM 728 CA GLU A 68 -1.134 2.488 -8.560 1.00 0.00 C ATOM 729 C GLU A 68 -0.346 1.573 -7.619 1.00 0.00 C ATOM 730 O GLU A 68 0.371 2.050 -6.739 1.00 0.00 O ATOM 731 CB GLU A 68 -0.241 3.020 -9.683 1.00 0.00 C ATOM 732 CG GLU A 68 -0.932 2.890 -11.042 1.00 0.00 C ATOM 733 CD GLU A 68 -0.153 3.633 -12.127 1.00 0.00 C ATOM 734 OE1 GLU A 68 1.038 3.917 -11.876 1.00 0.00 O ATOM 735 OE2 GLU A 68 -0.766 3.901 -13.182 1.00 0.00 O ATOM 0 H GLU A 68 -1.077 4.276 -7.468 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.931 1.904 -9.020 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.003 4.065 -9.494 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.700 2.470 -9.696 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.020 1.837 -11.310 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.944 3.289 -10.979 1.00 0.00 H new ATOM 742 N ILE A 69 -0.505 0.276 -7.837 1.00 0.00 N ATOM 743 CA ILE A 69 0.182 -0.710 -7.020 1.00 0.00 C ATOM 744 C ILE A 69 1.085 -1.564 -7.912 1.00 0.00 C ATOM 745 O ILE A 69 0.671 -2.003 -8.984 1.00 0.00 O ATOM 746 CB ILE A 69 -0.824 -1.524 -6.204 1.00 0.00 C ATOM 747 CG1 ILE A 69 -2.139 -0.761 -6.036 1.00 0.00 C ATOM 748 CG2 ILE A 69 -0.227 -1.940 -4.856 1.00 0.00 C ATOM 749 CD1 ILE A 69 -1.976 0.407 -5.061 1.00 0.00 C ATOM 0 H ILE A 69 -1.100 -0.115 -8.568 1.00 0.00 H new ATOM 0 HA ILE A 69 0.826 -0.219 -6.290 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.050 -2.438 -6.753 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.473 -0.387 -7.004 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.912 -1.438 -5.672 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.962 -2.517 -4.295 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.661 -2.549 -5.024 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.045 -1.050 -4.288 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.926 0.932 -4.960 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.666 0.028 -4.087 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.220 1.095 -5.440 1.00 0.00 H new ATOM 761 N LYS A 70 2.304 -1.776 -7.436 1.00 0.00 N ATOM 762 CA LYS A 70 3.270 -2.570 -8.177 1.00 0.00 C ATOM 763 C LYS A 70 3.904 -3.599 -7.239 1.00 0.00 C ATOM 764 O LYS A 70 4.932 -3.328 -6.619 1.00 0.00 O ATOM 765 CB LYS A 70 4.285 -1.665 -8.875 1.00 0.00 C ATOM 766 CG LYS A 70 3.933 -1.483 -10.353 1.00 0.00 C ATOM 767 CD LYS A 70 2.983 -0.300 -10.548 1.00 0.00 C ATOM 768 CE LYS A 70 3.757 1.019 -10.619 1.00 0.00 C ATOM 769 NZ LYS A 70 2.845 2.139 -10.942 1.00 0.00 N ATOM 0 H LYS A 70 2.645 -1.412 -6.546 1.00 0.00 H new ATOM 0 HA LYS A 70 2.776 -3.127 -8.973 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.311 -0.693 -8.381 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.283 -2.095 -8.785 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.843 -1.322 -10.930 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.470 -2.393 -10.735 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.408 -0.438 -11.464 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.269 -0.263 -9.725 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.252 1.209 -9.667 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.538 0.949 -11.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.263 2.721 -11.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.931 1.761 -11.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.699 2.723 -10.094 1.00 0.00 H new ATOM 783 N PRO A 71 3.250 -4.788 -7.162 1.00 0.00 N ATOM 784 CA PRO A 71 3.740 -5.859 -6.308 1.00 0.00 C ATOM 785 C PRO A 71 4.965 -6.534 -6.926 1.00 0.00 C ATOM 786 O PRO A 71 4.973 -6.845 -8.116 1.00 0.00 O ATOM 787 CB PRO A 71 2.560 -6.802 -6.145 1.00 0.00 C ATOM 788 CG PRO A 71 1.603 -6.475 -7.281 1.00 0.00 C ATOM 789 CD PRO A 71 2.030 -5.145 -7.880 1.00 0.00 C ATOM 0 HA PRO A 71 4.083 -5.501 -5.337 1.00 0.00 H new ATOM 0 HB2 PRO A 71 2.882 -7.842 -6.193 1.00 0.00 H new ATOM 0 HB3 PRO A 71 2.079 -6.662 -5.177 1.00 0.00 H new ATOM 0 HG2 PRO A 71 1.626 -7.259 -8.037 1.00 0.00 H new ATOM 0 HG3 PRO A 71 0.579 -6.417 -6.913 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.213 -5.234 -8.951 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.258 -4.386 -7.750 1.00 0.00 H new ATOM 797 N ASP A 72 5.972 -6.740 -6.090 1.00 0.00 N ATOM 798 CA ASP A 72 7.200 -7.373 -6.539 1.00 0.00 C ATOM 799 C ASP A 72 7.714 -8.314 -5.447 1.00 0.00 C ATOM 800 O ASP A 72 7.474 -8.084 -4.263 1.00 0.00 O ATOM 801 CB ASP A 72 8.287 -6.333 -6.815 1.00 0.00 C ATOM 802 CG ASP A 72 9.021 -6.500 -8.147 1.00 0.00 C ATOM 803 OD1 ASP A 72 8.445 -7.173 -9.030 1.00 0.00 O ATOM 804 OD2 ASP A 72 10.139 -5.953 -8.253 1.00 0.00 O ATOM 0 H ASP A 72 5.962 -6.480 -5.104 1.00 0.00 H new ATOM 0 HA ASP A 72 6.981 -7.919 -7.457 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.835 -5.342 -6.789 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.018 -6.371 -6.008 1.00 0.00 H new ATOM 809 N LYS A 73 8.408 -9.353 -5.885 1.00 0.00 N ATOM 810 CA LYS A 73 8.956 -10.330 -4.958 1.00 0.00 C ATOM 811 C LYS A 73 9.874 -9.621 -3.960 1.00 0.00 C ATOM 812 O LYS A 73 9.839 -9.910 -2.765 1.00 0.00 O ATOM 813 CB LYS A 73 9.640 -11.467 -5.722 1.00 0.00 C ATOM 814 CG LYS A 73 8.608 -12.367 -6.403 1.00 0.00 C ATOM 815 CD LYS A 73 9.147 -13.789 -6.574 1.00 0.00 C ATOM 816 CE LYS A 73 8.545 -14.460 -7.810 1.00 0.00 C ATOM 817 NZ LYS A 73 9.227 -13.993 -9.037 1.00 0.00 N ATOM 0 H LYS A 73 8.604 -9.540 -6.868 1.00 0.00 H new ATOM 0 HA LYS A 73 8.158 -10.798 -4.381 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.316 -11.053 -6.470 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.247 -12.058 -5.036 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.693 -12.390 -5.811 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.347 -11.954 -7.377 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.233 -13.761 -6.664 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.915 -14.378 -5.687 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.638 -15.543 -7.725 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.480 -14.235 -7.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.806 -14.458 -9.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.117 -12.963 -9.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.238 -14.229 -8.983 1.00 0.00 H new ATOM 831 N ARG A 74 10.676 -8.706 -4.488 1.00 0.00 N ATOM 832 CA ARG A 74 11.601 -7.953 -3.658 1.00 0.00 C ATOM 833 C ARG A 74 10.833 -7.057 -2.687 1.00 0.00 C ATOM 834 O ARG A 74 10.880 -7.262 -1.475 1.00 0.00 O ATOM 835 CB ARG A 74 12.530 -7.090 -4.513 1.00 0.00 C ATOM 836 CG ARG A 74 13.807 -6.735 -3.748 1.00 0.00 C ATOM 837 CD ARG A 74 14.918 -7.747 -4.037 1.00 0.00 C ATOM 838 NE ARG A 74 16.149 -7.041 -4.455 1.00 0.00 N ATOM 839 CZ ARG A 74 16.241 -6.275 -5.551 1.00 0.00 C ATOM 840 NH1 ARG A 74 15.174 -6.111 -6.345 1.00 0.00 N ATOM 841 NH2 ARG A 74 17.400 -5.672 -5.852 1.00 0.00 N ATOM 0 H ARG A 74 10.704 -8.470 -5.480 1.00 0.00 H new ATOM 0 HA ARG A 74 12.203 -8.669 -3.098 1.00 0.00 H new ATOM 0 HB2 ARG A 74 12.787 -7.623 -5.429 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.014 -6.177 -4.809 1.00 0.00 H new ATOM 0 HG2 ARG A 74 14.138 -5.736 -4.030 1.00 0.00 H new ATOM 0 HG3 ARG A 74 13.600 -6.712 -2.678 1.00 0.00 H new ATOM 0 HD2 ARG A 74 15.116 -8.346 -3.148 1.00 0.00 H new ATOM 0 HD3 ARG A 74 14.600 -8.435 -4.820 1.00 0.00 H new ATOM 0 HE ARG A 74 16.980 -7.144 -3.872 1.00 0.00 H new ATOM 0 HH11 ARG A 74 14.292 -6.569 -6.115 1.00 0.00 H new ATOM 0 HH12 ARG A 74 15.244 -5.528 -7.179 1.00 0.00 H new ATOM 0 HH21 ARG A 74 18.212 -5.796 -5.247 1.00 0.00 H new ATOM 0 HH22 ARG A 74 17.470 -5.089 -6.686 1.00 0.00 H new ATOM 855 N LYS A 75 10.142 -6.079 -3.253 1.00 0.00 N ATOM 856 CA LYS A 75 9.364 -5.149 -2.453 1.00 0.00 C ATOM 857 C LYS A 75 8.210 -4.598 -3.293 1.00 0.00 C ATOM 858 O LYS A 75 8.074 -4.941 -4.467 1.00 0.00 O ATOM 859 CB LYS A 75 10.268 -4.063 -1.863 1.00 0.00 C ATOM 860 CG LYS A 75 11.200 -3.486 -2.932 1.00 0.00 C ATOM 861 CD LYS A 75 12.664 -3.591 -2.496 1.00 0.00 C ATOM 862 CE LYS A 75 13.495 -2.455 -3.095 1.00 0.00 C ATOM 863 NZ LYS A 75 14.309 -1.800 -2.046 1.00 0.00 N ATOM 0 H LYS A 75 10.105 -5.910 -4.258 1.00 0.00 H new ATOM 0 HA LYS A 75 8.920 -5.662 -1.600 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.657 -3.266 -1.440 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.858 -4.480 -1.047 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.057 -4.020 -3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.946 -2.442 -3.117 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.727 -3.558 -1.408 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.073 -4.551 -2.810 1.00 0.00 H new ATOM 0 HE2 LYS A 75 14.145 -2.846 -3.878 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.837 -1.723 -3.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.867 -1.031 -2.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.682 -1.410 -1.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.950 -2.498 -1.618 1.00 0.00 H new ATOM 877 N ILE A 76 7.410 -3.752 -2.662 1.00 0.00 N ATOM 878 CA ILE A 76 6.273 -3.151 -3.337 1.00 0.00 C ATOM 879 C ILE A 76 6.347 -1.629 -3.196 1.00 0.00 C ATOM 880 O ILE A 76 7.030 -1.117 -2.310 1.00 0.00 O ATOM 881 CB ILE A 76 4.965 -3.753 -2.821 1.00 0.00 C ATOM 882 CG1 ILE A 76 4.536 -3.092 -1.510 1.00 0.00 C ATOM 883 CG2 ILE A 76 5.075 -5.273 -2.687 1.00 0.00 C ATOM 884 CD1 ILE A 76 3.094 -3.463 -1.153 1.00 0.00 C ATOM 0 H ILE A 76 7.527 -3.468 -1.689 1.00 0.00 H new ATOM 0 HA ILE A 76 6.302 -3.374 -4.404 1.00 0.00 H new ATOM 0 HB ILE A 76 4.184 -3.550 -3.554 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.204 -3.402 -0.707 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.625 -2.009 -1.599 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.131 -5.675 -2.318 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.299 -5.709 -3.661 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.873 -5.520 -1.986 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.815 -2.980 -0.217 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.425 -3.130 -1.947 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.014 -4.544 -1.041 1.00 0.00 H new ATOM 896 N LEU A 77 5.636 -0.950 -4.082 1.00 0.00 N ATOM 897 CA LEU A 77 5.614 0.504 -4.068 1.00 0.00 C ATOM 898 C LEU A 77 4.228 0.991 -4.498 1.00 0.00 C ATOM 899 O LEU A 77 3.516 0.295 -5.218 1.00 0.00 O ATOM 900 CB LEU A 77 6.754 1.066 -4.918 1.00 0.00 C ATOM 901 CG LEU A 77 7.307 0.135 -5.999 1.00 0.00 C ATOM 902 CD1 LEU A 77 8.012 -1.071 -5.376 1.00 0.00 C ATOM 903 CD2 LEU A 77 6.207 -0.285 -6.977 1.00 0.00 C ATOM 0 H LEU A 77 5.070 -1.378 -4.815 1.00 0.00 H new ATOM 0 HA LEU A 77 5.787 0.878 -3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.406 1.981 -5.398 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.572 1.346 -4.254 1.00 0.00 H new ATOM 0 HG LEU A 77 8.054 0.684 -6.572 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.396 -1.716 -6.166 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.839 -0.728 -4.754 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.305 -1.629 -4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.627 -0.946 -7.735 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.419 -0.808 -6.435 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.791 0.600 -7.458 1.00 0.00 H new ATOM 915 N VAL A 78 3.887 2.187 -4.036 1.00 0.00 N ATOM 916 CA VAL A 78 2.600 2.775 -4.363 1.00 0.00 C ATOM 917 C VAL A 78 2.806 4.229 -4.794 1.00 0.00 C ATOM 918 O VAL A 78 3.717 4.901 -4.314 1.00 0.00 O ATOM 919 CB VAL A 78 1.643 2.632 -3.179 1.00 0.00 C ATOM 920 CG1 VAL A 78 0.202 2.448 -3.658 1.00 0.00 C ATOM 921 CG2 VAL A 78 2.069 1.482 -2.265 1.00 0.00 C ATOM 0 H VAL A 78 4.480 2.763 -3.439 1.00 0.00 H new ATOM 0 HA VAL A 78 2.140 2.249 -5.199 1.00 0.00 H new ATOM 0 HB VAL A 78 1.688 3.554 -2.599 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.458 2.349 -2.796 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.099 3.314 -4.248 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.135 1.550 -4.272 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.371 1.402 -1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.068 0.549 -2.829 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.071 1.674 -1.882 1.00 0.00 H new ATOM 931 N ASN A 79 1.941 4.672 -5.697 1.00 0.00 N ATOM 932 CA ASN A 79 2.016 6.034 -6.199 1.00 0.00 C ATOM 933 C ASN A 79 0.606 6.625 -6.269 1.00 0.00 C ATOM 934 O ASN A 79 -0.292 6.028 -6.861 1.00 0.00 O ATOM 935 CB ASN A 79 2.615 6.070 -7.606 1.00 0.00 C ATOM 936 CG ASN A 79 3.103 7.477 -7.957 1.00 0.00 C ATOM 937 OD1 ASN A 79 2.608 8.476 -7.462 1.00 0.00 O ATOM 938 ND2 ASN A 79 4.100 7.500 -8.836 1.00 0.00 N ATOM 0 H ASN A 79 1.186 4.112 -6.093 1.00 0.00 H new ATOM 0 HA ASN A 79 2.649 6.609 -5.523 1.00 0.00 H new ATOM 0 HB2 ASN A 79 3.445 5.367 -7.670 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.868 5.748 -8.332 1.00 0.00 H new ATOM 0 HD21 ASN A 79 4.496 8.391 -9.134 1.00 0.00 H new ATOM 0 HD22 ASN A 79 4.469 6.626 -9.212 1.00 0.00 H new ATOM 945 N THR A 80 0.456 7.790 -5.657 1.00 0.00 N ATOM 946 CA THR A 80 -0.829 8.469 -5.644 1.00 0.00 C ATOM 947 C THR A 80 -0.892 9.513 -6.759 1.00 0.00 C ATOM 948 O THR A 80 0.138 9.928 -7.285 1.00 0.00 O ATOM 949 CB THR A 80 -1.038 9.057 -4.247 1.00 0.00 C ATOM 950 OG1 THR A 80 0.081 9.917 -4.060 1.00 0.00 O ATOM 951 CG2 THR A 80 -0.890 8.008 -3.142 1.00 0.00 C ATOM 0 H THR A 80 1.203 8.281 -5.166 1.00 0.00 H new ATOM 0 HA THR A 80 -1.645 7.776 -5.846 1.00 0.00 H new ATOM 0 HB THR A 80 -2.028 9.509 -4.189 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.024 10.341 -3.178 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.048 8.478 -2.171 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.628 7.219 -3.288 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.111 7.579 -3.179 1.00 0.00 H new ATOM 959 N GLY A 81 -2.113 9.911 -7.085 1.00 0.00 N ATOM 960 CA GLY A 81 -2.325 10.900 -8.129 1.00 0.00 C ATOM 961 C GLY A 81 -2.794 12.230 -7.534 1.00 0.00 C ATOM 962 O GLY A 81 -2.047 13.207 -7.525 1.00 0.00 O ATOM 0 H GLY A 81 -2.966 9.567 -6.645 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.400 11.052 -8.685 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.067 10.533 -8.838 1.00 0.00 H new ATOM 966 N ASP A 82 -4.029 12.224 -7.056 1.00 0.00 N ATOM 967 CA ASP A 82 -4.606 13.420 -6.462 1.00 0.00 C ATOM 968 C ASP A 82 -5.365 13.036 -5.190 1.00 0.00 C ATOM 969 O ASP A 82 -6.100 12.049 -5.175 1.00 0.00 O ATOM 970 CB ASP A 82 -5.597 14.086 -7.420 1.00 0.00 C ATOM 971 CG ASP A 82 -6.053 15.487 -7.005 1.00 0.00 C ATOM 972 OD1 ASP A 82 -6.418 15.636 -5.819 1.00 0.00 O ATOM 973 OD2 ASP A 82 -6.027 16.375 -7.883 1.00 0.00 O ATOM 0 H ASP A 82 -4.646 11.412 -7.067 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.794 14.113 -6.242 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.140 14.146 -8.408 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.475 13.447 -7.513 1.00 0.00 H new ATOM 978 N TYR A 83 -5.162 13.836 -4.155 1.00 0.00 N ATOM 979 CA TYR A 83 -5.818 13.594 -2.881 1.00 0.00 C ATOM 980 C TYR A 83 -6.904 14.636 -2.615 1.00 0.00 C ATOM 981 O TYR A 83 -6.886 15.720 -3.200 1.00 0.00 O ATOM 982 CB TYR A 83 -4.730 13.725 -1.814 1.00 0.00 C ATOM 983 CG TYR A 83 -4.226 12.387 -1.269 1.00 0.00 C ATOM 984 CD1 TYR A 83 -3.776 11.414 -2.138 1.00 0.00 C ATOM 985 CD2 TYR A 83 -4.221 12.154 0.091 1.00 0.00 C ATOM 986 CE1 TYR A 83 -3.302 10.155 -1.624 1.00 0.00 C ATOM 987 CE2 TYR A 83 -3.747 10.895 0.605 1.00 0.00 C ATOM 988 CZ TYR A 83 -3.312 9.958 -0.279 1.00 0.00 C ATOM 989 OH TYR A 83 -2.863 8.768 0.205 1.00 0.00 O ATOM 0 H TYR A 83 -4.552 14.653 -4.172 1.00 0.00 H new ATOM 0 HA TYR A 83 -6.293 12.613 -2.876 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -3.888 14.274 -2.235 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -5.117 14.320 -0.987 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -3.779 11.597 -3.202 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.573 12.916 0.770 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -2.947 9.385 -2.292 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.737 10.700 1.667 1.00 0.00 H new ATOM 0 HH TYR A 83 -2.927 8.767 1.183 1.00 0.00 H new ATOM 1044 N ASP A 88 -9.270 15.404 5.433 1.00 0.00 N ATOM 1045 CA ASP A 88 -8.083 15.432 6.270 1.00 0.00 C ATOM 1046 C ASP A 88 -6.993 14.570 5.629 1.00 0.00 C ATOM 1047 O ASP A 88 -7.068 13.343 5.663 1.00 0.00 O ATOM 1048 CB ASP A 88 -8.376 14.868 7.661 1.00 0.00 C ATOM 1049 CG ASP A 88 -8.951 15.874 8.660 1.00 0.00 C ATOM 1050 OD1 ASP A 88 -8.304 16.930 8.838 1.00 0.00 O ATOM 1051 OD2 ASP A 88 -10.023 15.568 9.223 1.00 0.00 O ATOM 0 HA ASP A 88 -7.760 16.469 6.363 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.076 14.039 7.560 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.453 14.458 8.072 1.00 0.00 H new ATOM 1056 N LYS A 89 -6.005 15.248 5.061 1.00 0.00 N ATOM 1057 CA LYS A 89 -4.901 14.558 4.416 1.00 0.00 C ATOM 1058 C LYS A 89 -4.319 13.521 5.379 1.00 0.00 C ATOM 1059 O LYS A 89 -3.792 12.496 4.947 1.00 0.00 O ATOM 1060 CB LYS A 89 -3.871 15.565 3.900 1.00 0.00 C ATOM 1061 CG LYS A 89 -3.181 16.287 5.059 1.00 0.00 C ATOM 1062 CD LYS A 89 -3.980 17.519 5.489 1.00 0.00 C ATOM 1063 CE LYS A 89 -3.050 18.631 5.979 1.00 0.00 C ATOM 1064 NZ LYS A 89 -3.806 19.886 6.183 1.00 0.00 N ATOM 0 H LYS A 89 -5.947 16.266 5.034 1.00 0.00 H new ATOM 0 HA LYS A 89 -5.251 14.015 3.538 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -3.126 15.050 3.293 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.361 16.293 3.254 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.072 15.606 5.903 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.177 16.586 4.760 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -4.576 17.881 4.651 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -4.677 17.247 6.282 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.574 18.330 6.912 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -2.253 18.793 5.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -3.160 20.630 6.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -4.240 20.180 5.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -4.550 19.731 6.893 1.00 0.00 H new ATOM 1078 N LEU A 90 -4.434 13.823 6.663 1.00 0.00 N ATOM 1079 CA LEU A 90 -3.925 12.931 7.690 1.00 0.00 C ATOM 1080 C LEU A 90 -4.893 11.757 7.865 1.00 0.00 C ATOM 1081 O LEU A 90 -4.480 10.655 8.218 1.00 0.00 O ATOM 1082 CB LEU A 90 -3.653 13.701 8.984 1.00 0.00 C ATOM 1083 CG LEU A 90 -2.189 13.778 9.423 1.00 0.00 C ATOM 1084 CD1 LEU A 90 -1.696 15.226 9.434 1.00 0.00 C ATOM 1085 CD2 LEU A 90 -1.985 13.092 10.776 1.00 0.00 C ATOM 0 H LEU A 90 -4.873 14.674 7.016 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.965 12.512 7.388 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.030 14.717 8.865 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.229 13.239 9.786 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.585 13.238 8.694 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.653 15.253 9.749 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.783 15.648 8.433 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.300 15.811 10.128 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.936 13.161 11.065 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.602 13.582 11.529 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.272 12.043 10.699 1.00 0.00 H new ATOM 1097 N ALA A 91 -6.163 12.037 7.610 1.00 0.00 N ATOM 1098 CA ALA A 91 -7.193 11.020 7.734 1.00 0.00 C ATOM 1099 C ALA A 91 -7.071 10.032 6.571 1.00 0.00 C ATOM 1100 O ALA A 91 -6.998 8.823 6.785 1.00 0.00 O ATOM 1101 CB ALA A 91 -8.568 11.688 7.790 1.00 0.00 C ATOM 0 H ALA A 91 -6.502 12.954 7.318 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.067 10.458 8.659 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.340 10.924 7.883 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.613 12.356 8.650 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.732 12.260 6.877 1.00 0.00 H new ATOM 1107 N VAL A 92 -7.054 10.584 5.367 1.00 0.00 N ATOM 1108 CA VAL A 92 -6.944 9.768 4.172 1.00 0.00 C ATOM 1109 C VAL A 92 -5.641 8.968 4.224 1.00 0.00 C ATOM 1110 O VAL A 92 -5.601 7.812 3.805 1.00 0.00 O ATOM 1111 CB VAL A 92 -7.054 10.647 2.924 1.00 0.00 C ATOM 1112 CG1 VAL A 92 -8.499 11.099 2.699 1.00 0.00 C ATOM 1113 CG2 VAL A 92 -6.112 11.849 3.016 1.00 0.00 C ATOM 0 H VAL A 92 -7.115 11.587 5.194 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.765 9.052 4.123 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.751 10.049 2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.550 11.722 1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -9.137 10.225 2.569 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.840 11.672 3.562 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.210 12.457 2.117 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.371 12.448 3.889 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.084 11.499 3.108 1.00 0.00 H new ATOM 1123 N VAL A 93 -4.608 9.613 4.743 1.00 0.00 N ATOM 1124 CA VAL A 93 -3.306 8.976 4.857 1.00 0.00 C ATOM 1125 C VAL A 93 -3.388 7.839 5.877 1.00 0.00 C ATOM 1126 O VAL A 93 -2.764 6.794 5.697 1.00 0.00 O ATOM 1127 CB VAL A 93 -2.242 10.019 5.206 1.00 0.00 C ATOM 1128 CG1 VAL A 93 -1.122 9.399 6.045 1.00 0.00 C ATOM 1129 CG2 VAL A 93 -1.682 10.676 3.943 1.00 0.00 C ATOM 0 H VAL A 93 -4.645 10.571 5.090 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.010 8.537 3.904 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.718 10.796 5.804 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.379 10.161 6.280 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.538 9.001 6.970 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.650 8.593 5.483 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.928 11.413 4.220 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.229 9.915 3.307 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.489 11.169 3.401 1.00 0.00 H new ATOM 1139 N ARG A 94 -4.160 8.081 6.925 1.00 0.00 N ATOM 1140 CA ARG A 94 -4.331 7.091 7.974 1.00 0.00 C ATOM 1141 C ARG A 94 -5.055 5.858 7.427 1.00 0.00 C ATOM 1142 O ARG A 94 -4.823 4.742 7.889 1.00 0.00 O ATOM 1143 CB ARG A 94 -5.129 7.663 9.148 1.00 0.00 C ATOM 1144 CG ARG A 94 -4.281 8.644 9.959 1.00 0.00 C ATOM 1145 CD ARG A 94 -3.912 8.053 11.321 1.00 0.00 C ATOM 1146 NE ARG A 94 -2.556 8.498 11.715 1.00 0.00 N ATOM 1147 CZ ARG A 94 -1.923 8.088 12.822 1.00 0.00 C ATOM 1148 NH1 ARG A 94 -2.519 7.221 13.653 1.00 0.00 N ATOM 1149 NH2 ARG A 94 -0.694 8.542 13.099 1.00 0.00 N ATOM 0 H ARG A 94 -4.675 8.949 7.071 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.339 6.808 8.327 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -6.020 8.168 8.775 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -5.469 6.852 9.792 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -3.374 8.889 9.407 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -4.830 9.575 10.099 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -4.639 8.365 12.071 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -3.948 6.965 11.276 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.074 9.158 11.105 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -3.455 6.874 13.442 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -2.037 6.909 14.496 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -0.239 9.201 12.467 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -0.213 8.229 13.942 1.00 0.00 H new ATOM 1163 N THR A 95 -5.917 6.102 6.451 1.00 0.00 N ATOM 1164 CA THR A 95 -6.677 5.026 5.837 1.00 0.00 C ATOM 1165 C THR A 95 -5.873 4.386 4.705 1.00 0.00 C ATOM 1166 O THR A 95 -5.989 3.186 4.457 1.00 0.00 O ATOM 1167 CB THR A 95 -8.021 5.598 5.380 1.00 0.00 C ATOM 1168 OG1 THR A 95 -8.792 5.668 6.576 1.00 0.00 O ATOM 1169 CG2 THR A 95 -8.799 4.624 4.492 1.00 0.00 C ATOM 0 H THR A 95 -6.106 7.029 6.070 1.00 0.00 H new ATOM 0 HA THR A 95 -6.874 4.224 6.548 1.00 0.00 H new ATOM 0 HB THR A 95 -7.855 6.530 4.839 1.00 0.00 H new ATOM 0 HG1 THR A 95 -9.680 6.030 6.372 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.744 5.078 4.195 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.212 4.394 3.603 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.995 3.705 5.045 1.00 0.00 H new ATOM 1177 N TYR A 96 -5.074 5.213 4.046 1.00 0.00 N ATOM 1178 CA TYR A 96 -4.251 4.742 2.945 1.00 0.00 C ATOM 1179 C TYR A 96 -3.096 3.880 3.456 1.00 0.00 C ATOM 1180 O TYR A 96 -2.702 2.914 2.803 1.00 0.00 O ATOM 1181 CB TYR A 96 -3.680 5.996 2.280 1.00 0.00 C ATOM 1182 CG TYR A 96 -2.546 5.715 1.292 1.00 0.00 C ATOM 1183 CD1 TYR A 96 -2.821 5.125 0.075 1.00 0.00 C ATOM 1184 CD2 TYR A 96 -1.248 6.049 1.618 1.00 0.00 C ATOM 1185 CE1 TYR A 96 -1.754 4.860 -0.855 1.00 0.00 C ATOM 1186 CE2 TYR A 96 -0.180 5.784 0.690 1.00 0.00 C ATOM 1187 CZ TYR A 96 -0.487 5.203 -0.502 1.00 0.00 C ATOM 1188 OH TYR A 96 0.522 4.952 -1.379 1.00 0.00 O ATOM 0 H TYR A 96 -4.979 6.207 4.254 1.00 0.00 H new ATOM 0 HA TYR A 96 -4.839 4.135 2.257 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.483 6.515 1.757 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.315 6.671 3.054 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -3.837 4.862 -0.180 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -1.033 6.510 2.571 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -1.956 4.399 -1.811 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.841 6.040 0.934 1.00 0.00 H new ATOM 0 HH TYR A 96 1.372 5.250 -0.994 1.00 0.00 H new ATOM 1198 N ASN A 97 -2.584 4.258 4.617 1.00 0.00 N ATOM 1199 CA ASN A 97 -1.481 3.531 5.223 1.00 0.00 C ATOM 1200 C ASN A 97 -2.015 2.255 5.876 1.00 0.00 C ATOM 1201 O ASN A 97 -1.366 1.211 5.828 1.00 0.00 O ATOM 1202 CB ASN A 97 -0.800 4.367 6.307 1.00 0.00 C ATOM 1203 CG ASN A 97 0.651 4.677 5.929 1.00 0.00 C ATOM 1204 OD1 ASN A 97 1.524 3.824 5.962 1.00 0.00 O ATOM 1205 ND2 ASN A 97 0.858 5.940 5.570 1.00 0.00 N ATOM 0 H ASN A 97 -2.913 5.059 5.155 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.759 3.299 4.440 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.349 5.298 6.452 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.826 3.830 7.255 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.793 6.247 5.300 1.00 0.00 H new ATOM 0 HD22 ASN A 97 0.082 6.602 5.565 1.00 0.00 H new ATOM 1212 N ASP A 98 -3.193 2.380 6.471 1.00 0.00 N ATOM 1213 CA ASP A 98 -3.821 1.249 7.132 1.00 0.00 C ATOM 1214 C ASP A 98 -3.946 0.090 6.141 1.00 0.00 C ATOM 1215 O ASP A 98 -3.777 -1.070 6.512 1.00 0.00 O ATOM 1216 CB ASP A 98 -5.226 1.609 7.621 1.00 0.00 C ATOM 1217 CG ASP A 98 -5.841 0.614 8.607 1.00 0.00 C ATOM 1218 OD1 ASP A 98 -5.812 -0.594 8.286 1.00 0.00 O ATOM 1219 OD2 ASP A 98 -6.326 1.084 9.660 1.00 0.00 O ATOM 0 H ASP A 98 -3.728 3.247 6.509 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.203 0.970 7.985 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -5.190 2.591 8.093 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.884 1.695 6.757 1.00 0.00 H new ATOM 1224 N PHE A 99 -4.244 0.444 4.900 1.00 0.00 N ATOM 1225 CA PHE A 99 -4.395 -0.553 3.853 1.00 0.00 C ATOM 1226 C PHE A 99 -3.080 -1.293 3.607 1.00 0.00 C ATOM 1227 O PHE A 99 -3.039 -2.523 3.638 1.00 0.00 O ATOM 1228 CB PHE A 99 -4.791 0.194 2.578 1.00 0.00 C ATOM 1229 CG PHE A 99 -4.619 -0.626 1.298 1.00 0.00 C ATOM 1230 CD1 PHE A 99 -3.397 -0.715 0.708 1.00 0.00 C ATOM 1231 CD2 PHE A 99 -5.687 -1.265 0.750 1.00 0.00 C ATOM 1232 CE1 PHE A 99 -3.237 -1.475 -0.481 1.00 0.00 C ATOM 1233 CE2 PHE A 99 -5.527 -2.026 -0.438 1.00 0.00 C ATOM 1234 CZ PHE A 99 -4.305 -2.115 -1.028 1.00 0.00 C ATOM 0 H PHE A 99 -4.385 1.407 4.595 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.146 -1.288 4.145 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.832 0.506 2.660 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.192 1.101 2.500 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.549 -0.208 1.143 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -6.657 -1.194 1.219 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.267 -1.545 -0.951 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.375 -2.534 -0.873 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.183 -2.694 -1.931 1.00 0.00 H new ATOM 1244 N ILE A 100 -2.034 -0.514 3.371 1.00 0.00 N ATOM 1245 CA ILE A 100 -0.719 -1.081 3.121 1.00 0.00 C ATOM 1246 C ILE A 100 -0.282 -1.901 4.336 1.00 0.00 C ATOM 1247 O ILE A 100 0.426 -2.897 4.196 1.00 0.00 O ATOM 1248 CB ILE A 100 0.273 0.017 2.731 1.00 0.00 C ATOM 1249 CG1 ILE A 100 -0.246 0.826 1.540 1.00 0.00 C ATOM 1250 CG2 ILE A 100 1.662 -0.567 2.466 1.00 0.00 C ATOM 1251 CD1 ILE A 100 -0.258 -0.020 0.265 1.00 0.00 C ATOM 0 H ILE A 100 -2.070 0.505 3.348 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.754 -1.763 2.272 1.00 0.00 H new ATOM 0 HB ILE A 100 0.369 0.705 3.571 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.253 1.186 1.751 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.382 1.705 1.392 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.347 0.235 2.191 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.026 -1.063 3.366 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.604 -1.290 1.652 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.631 0.579 -0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.754 -0.358 0.043 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.906 -0.885 0.408 1.00 0.00 H new ATOM 1263 N GLU A 101 -0.722 -1.452 5.503 1.00 0.00 N ATOM 1264 CA GLU A 101 -0.384 -2.130 6.742 1.00 0.00 C ATOM 1265 C GLU A 101 -0.800 -3.602 6.670 1.00 0.00 C ATOM 1266 O GLU A 101 -0.050 -4.483 7.085 1.00 0.00 O ATOM 1267 CB GLU A 101 -1.033 -1.436 7.942 1.00 0.00 C ATOM 1268 CG GLU A 101 -0.312 -1.803 9.241 1.00 0.00 C ATOM 1269 CD GLU A 101 -1.216 -2.644 10.148 1.00 0.00 C ATOM 1270 OE1 GLU A 101 -1.271 -3.870 9.912 1.00 0.00 O ATOM 1271 OE2 GLU A 101 -1.827 -2.041 11.056 1.00 0.00 O ATOM 0 H GLU A 101 -1.310 -0.626 5.616 1.00 0.00 H new ATOM 0 HA GLU A 101 0.697 -2.082 6.877 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.007 -0.356 7.800 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.082 -1.724 8.010 1.00 0.00 H new ATOM 0 HG2 GLU A 101 0.598 -2.358 9.012 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -0.009 -0.895 9.763 1.00 0.00 H new ATOM 1278 N LYS A 102 -1.996 -3.821 6.142 1.00 0.00 N ATOM 1279 CA LYS A 102 -2.520 -5.170 6.012 1.00 0.00 C ATOM 1280 C LYS A 102 -2.087 -5.751 4.664 1.00 0.00 C ATOM 1281 O LYS A 102 -2.048 -6.970 4.493 1.00 0.00 O ATOM 1282 CB LYS A 102 -4.033 -5.180 6.228 1.00 0.00 C ATOM 1283 CG LYS A 102 -4.446 -6.318 7.163 1.00 0.00 C ATOM 1284 CD LYS A 102 -4.134 -5.973 8.620 1.00 0.00 C ATOM 1285 CE LYS A 102 -3.219 -7.024 9.249 1.00 0.00 C ATOM 1286 NZ LYS A 102 -4.005 -7.972 10.069 1.00 0.00 N ATOM 0 H LYS A 102 -2.616 -3.087 5.800 1.00 0.00 H new ATOM 0 HA LYS A 102 -2.107 -5.816 6.787 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.350 -4.226 6.649 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.540 -5.290 5.269 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -5.512 -6.515 7.053 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -3.923 -7.232 6.882 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -3.658 -4.994 8.671 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -5.062 -5.907 9.188 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -2.686 -7.565 8.467 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -2.466 -6.536 9.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -3.368 -8.679 10.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.494 -7.453 10.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -4.707 -8.451 9.469 1.00 0.00 H new ATOM 1300 N LEU A 103 -1.775 -4.854 3.740 1.00 0.00 N ATOM 1301 CA LEU A 103 -1.347 -5.264 2.414 1.00 0.00 C ATOM 1302 C LEU A 103 0.062 -5.857 2.497 1.00 0.00 C ATOM 1303 O LEU A 103 0.352 -6.866 1.858 1.00 0.00 O ATOM 1304 CB LEU A 103 -1.466 -4.098 1.429 1.00 0.00 C ATOM 1305 CG LEU A 103 -2.234 -4.387 0.138 1.00 0.00 C ATOM 1306 CD1 LEU A 103 -1.756 -5.691 -0.505 1.00 0.00 C ATOM 1307 CD2 LEU A 103 -3.744 -4.392 0.387 1.00 0.00 C ATOM 0 H LEU A 103 -1.810 -3.845 3.884 1.00 0.00 H new ATOM 0 HA LEU A 103 -2.000 -6.047 2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.952 -3.266 1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.461 -3.768 1.165 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.026 -3.584 -0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.318 -5.873 -1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.695 -5.613 -0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.914 -6.518 0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.266 -4.600 -0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -3.990 -5.161 1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.053 -3.418 0.767 1.00 0.00 H new ATOM 1319 N THR A 104 0.898 -5.204 3.289 1.00 0.00 N ATOM 1320 CA THR A 104 2.269 -5.654 3.464 1.00 0.00 C ATOM 1321 C THR A 104 2.444 -6.310 4.835 1.00 0.00 C ATOM 1322 O THR A 104 3.192 -7.276 4.973 1.00 0.00 O ATOM 1323 CB THR A 104 3.192 -4.454 3.243 1.00 0.00 C ATOM 1324 OG1 THR A 104 2.747 -3.492 4.195 1.00 0.00 O ATOM 1325 CG2 THR A 104 2.957 -3.776 1.891 1.00 0.00 C ATOM 0 H THR A 104 0.653 -4.366 3.817 1.00 0.00 H new ATOM 0 HA THR A 104 2.529 -6.422 2.735 1.00 0.00 H new ATOM 0 HB THR A 104 4.230 -4.778 3.312 1.00 0.00 H new ATOM 0 HG1 THR A 104 1.921 -3.073 3.875 1.00 0.00 H new ATOM 0 HG21 THR A 104 3.637 -2.931 1.785 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.139 -4.491 1.089 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.928 -3.422 1.835 1.00 0.00 H new ATOM 1333 N GLY A 105 1.741 -5.757 5.813 1.00 0.00 N ATOM 1334 CA GLY A 105 1.810 -6.278 7.169 1.00 0.00 C ATOM 1335 C GLY A 105 2.545 -5.305 8.093 1.00 0.00 C ATOM 1336 O GLY A 105 2.206 -5.183 9.268 1.00 0.00 O ATOM 0 H GLY A 105 1.122 -4.955 5.694 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.803 -6.453 7.547 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.322 -7.240 7.167 1.00 0.00 H new ATOM 1340 N TYR A 106 3.540 -4.638 7.525 1.00 0.00 N ATOM 1341 CA TYR A 106 4.327 -3.680 8.282 1.00 0.00 C ATOM 1342 C TYR A 106 3.465 -2.498 8.734 1.00 0.00 C ATOM 1343 O TYR A 106 2.544 -2.092 8.029 1.00 0.00 O ATOM 1344 CB TYR A 106 5.408 -3.172 7.327 1.00 0.00 C ATOM 1345 CG TYR A 106 6.610 -4.108 7.194 1.00 0.00 C ATOM 1346 CD1 TYR A 106 6.589 -5.131 6.269 1.00 0.00 C ATOM 1347 CD2 TYR A 106 7.716 -3.928 7.997 1.00 0.00 C ATOM 1348 CE1 TYR A 106 7.721 -6.013 6.143 1.00 0.00 C ATOM 1349 CE2 TYR A 106 8.849 -4.810 7.873 1.00 0.00 C ATOM 1350 CZ TYR A 106 8.795 -5.808 6.951 1.00 0.00 C ATOM 1351 OH TYR A 106 9.865 -6.641 6.833 1.00 0.00 O ATOM 0 H TYR A 106 3.819 -4.743 6.549 1.00 0.00 H new ATOM 0 HA TYR A 106 4.744 -4.147 9.174 1.00 0.00 H new ATOM 0 HB2 TYR A 106 4.967 -3.022 6.342 1.00 0.00 H new ATOM 0 HB3 TYR A 106 5.755 -2.198 7.672 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.723 -5.271 5.639 1.00 0.00 H new ATOM 0 HD2 TYR A 106 7.733 -3.125 8.720 1.00 0.00 H new ATOM 0 HE1 TYR A 106 7.717 -6.818 5.423 1.00 0.00 H new ATOM 0 HE2 TYR A 106 9.721 -4.681 8.498 1.00 0.00 H new ATOM 0 HH TYR A 106 10.559 -6.375 7.472 1.00 0.00 H new