USER MOD reduce.3.24.130724 H: found=0, std=0, add=929, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 948 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 81 ASN : amide:sc= -8.43! C(o=-13!,f=-7.4!) USER MOD Set 1.2: A 98 HIS : no HD1:sc= -4.47! K(o=-13!,f=-7.4) USER MOD Set 2.1: A 35 LYS NZ :NH3+ 154:sc= 1.04 (180deg=-0.754) USER MOD Set 2.2: A 39 SER OG : rot 147:sc= 0.229 USER MOD Single : A 4 THR OG1 : rot 125:sc= -3.49! USER MOD Single : A 6 LYS NZ :NH3+ 169:sc= 0.292! (180deg=-0.121) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 46:sc= -2.81! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0189) USER MOD Single : A 18 SER OG : rot -58:sc= -3.72! USER MOD Single : A 27 ASN : amide:sc= 0.177 K(o=0.18,f=-2.8!) USER MOD Single : A 33 CYS SG : rot -94:sc= -0.639! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -118:sc= -1.92 (180deg=-4.66!) USER MOD Single : A 49 TYR OH : rot 120:sc= -6.73! USER MOD Single : A 56 THR OG1 : rot 123:sc= 0.00152 USER MOD Single : A 59 GLN : amide:sc=-0.00158 X(o=-0.0016,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 156:sc= -0.573 (180deg=-2.04!) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.071) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0555 USER MOD Single : A 91 MET CE :methyl -167:sc= -5.18! (180deg=-5.5!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 30:sc= -0.0287 USER MOD Single : A 96 GLN : amide:sc= -3.58! C(o=-3.6!,f=-9.6!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -113:sc= -0.292 (180deg=-1.67!) USER MOD Single : A 106 TYR OH : rot -153:sc= 0.03 USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.01! USER MOD Single : A 109 TYR OH : rot 50:sc= -1.51 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -1.44! C(o=-1.4!,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 69 N THR A 4 -11.063 -5.047 3.729 1.00 53.15 N ATOM 70 CA THR A 4 -11.185 -4.713 5.138 1.00 1.20 C ATOM 71 C THR A 4 -10.487 -3.384 5.433 1.00 34.02 C ATOM 72 O THR A 4 -11.134 -2.340 5.501 1.00 52.13 O ATOM 73 CB THR A 4 -10.630 -5.884 5.950 1.00 73.15 C ATOM 74 OG1 THR A 4 -9.364 -6.152 5.354 1.00 53.12 O ATOM 75 CG2 THR A 4 -11.424 -7.174 5.735 1.00 74.44 C ATOM 0 HA THR A 4 -12.227 -4.567 5.422 1.00 1.20 H new ATOM 0 HB THR A 4 -10.637 -5.626 7.009 1.00 73.15 H new ATOM 0 HG1 THR A 4 -8.666 -6.119 6.041 1.00 53.12 H new ATOM 0 HG21 THR A 4 -10.988 -7.974 6.334 1.00 74.44 H new ATOM 0 HG22 THR A 4 -12.460 -7.018 6.036 1.00 74.44 H new ATOM 0 HG23 THR A 4 -11.390 -7.451 4.681 1.00 74.44 H new ATOM 83 N PHE A 5 -9.176 -3.465 5.600 1.00 11.00 N ATOM 84 CA PHE A 5 -8.381 -2.283 5.887 1.00 22.31 C ATOM 85 C PHE A 5 -8.434 -1.292 4.721 1.00 41.51 C ATOM 86 O PHE A 5 -8.389 -0.082 4.929 1.00 44.32 O ATOM 87 CB PHE A 5 -6.938 -2.748 6.079 1.00 64.21 C ATOM 88 CG PHE A 5 -5.900 -1.634 5.934 1.00 65.11 C ATOM 89 CD1 PHE A 5 -5.432 -1.296 4.702 1.00 10.12 C ATOM 90 CD2 PHE A 5 -5.443 -0.982 7.038 1.00 75.11 C ATOM 91 CE1 PHE A 5 -4.470 -0.261 4.568 1.00 0.14 C ATOM 92 CE2 PHE A 5 -4.479 0.051 6.903 1.00 33.11 C ATOM 93 CZ PHE A 5 -4.013 0.390 5.671 1.00 2.25 C ATOM 0 H PHE A 5 -8.643 -4.333 5.542 1.00 11.00 H new ATOM 0 HA PHE A 5 -8.767 -1.782 6.775 1.00 22.31 H new ATOM 0 HB2 PHE A 5 -6.840 -3.195 7.068 1.00 64.21 H new ATOM 0 HB3 PHE A 5 -6.720 -3.531 5.352 1.00 64.21 H new ATOM 0 HD1 PHE A 5 -5.792 -1.815 3.826 1.00 10.12 H new ATOM 0 HD2 PHE A 5 -5.814 -1.251 8.016 1.00 75.11 H new ATOM 0 HE1 PHE A 5 -4.101 0.010 3.590 1.00 0.14 H new ATOM 0 HE2 PHE A 5 -4.115 0.568 7.779 1.00 33.11 H new ATOM 0 HZ PHE A 5 -3.280 1.176 5.569 1.00 2.25 H new ATOM 103 N LYS A 6 -8.528 -1.845 3.521 1.00 54.43 N ATOM 104 CA LYS A 6 -8.587 -1.026 2.322 1.00 61.10 C ATOM 105 C LYS A 6 -10.004 -0.471 2.158 1.00 23.11 C ATOM 106 O LYS A 6 -10.182 0.669 1.735 1.00 53.24 O ATOM 107 CB LYS A 6 -8.091 -1.814 1.108 1.00 72.11 C ATOM 108 CG LYS A 6 -8.310 -1.027 -0.184 1.00 41.42 C ATOM 109 CD LYS A 6 -9.034 -1.878 -1.229 1.00 55.05 C ATOM 110 CE LYS A 6 -9.041 -1.183 -2.594 1.00 11.24 C ATOM 111 NZ LYS A 6 -8.545 -2.101 -3.644 1.00 41.43 N ATOM 0 H LYS A 6 -8.565 -2.850 3.353 1.00 54.43 H new ATOM 0 HA LYS A 6 -7.917 -0.171 2.412 1.00 61.10 H new ATOM 0 HB2 LYS A 6 -7.031 -2.040 1.225 1.00 72.11 H new ATOM 0 HB3 LYS A 6 -8.616 -2.768 1.050 1.00 72.11 H new ATOM 0 HG2 LYS A 6 -8.893 -0.130 0.027 1.00 41.42 H new ATOM 0 HG3 LYS A 6 -7.350 -0.697 -0.580 1.00 41.42 H new ATOM 0 HD2 LYS A 6 -8.546 -2.849 -1.314 1.00 55.05 H new ATOM 0 HD3 LYS A 6 -10.058 -2.063 -0.906 1.00 55.05 H new ATOM 0 HE2 LYS A 6 -10.052 -0.855 -2.837 1.00 11.24 H new ATOM 0 HE3 LYS A 6 -8.416 -0.290 -2.558 1.00 11.24 H new ATOM 0 HZ1 LYS A 6 -8.728 -1.688 -4.581 1.00 41.43 H new ATOM 0 HZ2 LYS A 6 -7.522 -2.246 -3.523 1.00 41.43 H new ATOM 0 HZ3 LYS A 6 -9.036 -3.015 -3.566 1.00 41.43 H new ATOM 125 N SER A 7 -10.974 -1.304 2.501 1.00 32.24 N ATOM 126 CA SER A 7 -12.370 -0.911 2.397 1.00 10.10 C ATOM 127 C SER A 7 -12.695 0.149 3.452 1.00 13.42 C ATOM 128 O SER A 7 -13.640 0.920 3.291 1.00 63.35 O ATOM 129 CB SER A 7 -13.295 -2.120 2.556 1.00 44.33 C ATOM 130 OG SER A 7 -14.580 -1.747 3.045 1.00 52.21 O ATOM 0 H SER A 7 -10.822 -2.250 2.851 1.00 32.24 H new ATOM 0 HA SER A 7 -12.534 -0.489 1.405 1.00 10.10 H new ATOM 0 HB2 SER A 7 -13.404 -2.622 1.595 1.00 44.33 H new ATOM 0 HB3 SER A 7 -12.841 -2.837 3.240 1.00 44.33 H new ATOM 0 HG SER A 7 -15.142 -2.545 3.131 1.00 52.21 H new ATOM 136 N GLU A 8 -11.894 0.152 4.507 1.00 33.03 N ATOM 137 CA GLU A 8 -12.084 1.105 5.587 1.00 53.01 C ATOM 138 C GLU A 8 -12.356 2.501 5.023 1.00 75.05 C ATOM 139 O GLU A 8 -13.392 3.098 5.310 1.00 11.10 O ATOM 140 CB GLU A 8 -10.876 1.119 6.526 1.00 50.33 C ATOM 141 CG GLU A 8 -11.037 2.186 7.611 1.00 33.05 C ATOM 142 CD GLU A 8 -12.077 1.760 8.649 1.00 44.11 C ATOM 143 OE1 GLU A 8 -13.278 1.994 8.455 1.00 71.32 O ATOM 144 OE2 GLU A 8 -11.597 1.164 9.689 1.00 31.12 O ATOM 0 H GLU A 8 -11.112 -0.490 4.637 1.00 33.03 H new ATOM 0 HA GLU A 8 -12.952 0.795 6.169 1.00 53.01 H new ATOM 0 HB2 GLU A 8 -10.759 0.139 6.989 1.00 50.33 H new ATOM 0 HB3 GLU A 8 -9.968 1.311 5.954 1.00 50.33 H new ATOM 0 HG2 GLU A 8 -10.079 2.359 8.101 1.00 33.05 H new ATOM 0 HG3 GLU A 8 -11.337 3.130 7.156 1.00 33.05 H new ATOM 152 N TYR A 9 -11.408 2.978 4.231 1.00 11.51 N ATOM 153 CA TYR A 9 -11.533 4.293 3.624 1.00 34.03 C ATOM 154 C TYR A 9 -11.506 4.197 2.098 1.00 13.04 C ATOM 155 O TYR A 9 -11.136 3.162 1.544 1.00 20.14 O ATOM 156 CB TYR A 9 -10.317 5.093 4.095 1.00 23.45 C ATOM 157 CG TYR A 9 -9.034 4.267 4.201 1.00 45.31 C ATOM 158 CD1 TYR A 9 -8.863 3.388 5.250 1.00 32.35 C ATOM 159 CD2 TYR A 9 -8.045 4.401 3.246 1.00 31.32 C ATOM 160 CE1 TYR A 9 -7.655 2.610 5.351 1.00 14.04 C ATOM 161 CE2 TYR A 9 -6.837 3.625 3.346 1.00 14.01 C ATOM 162 CZ TYR A 9 -6.701 2.767 4.393 1.00 24.23 C ATOM 163 OH TYR A 9 -5.561 2.034 4.487 1.00 62.13 O ATOM 0 H TYR A 9 -10.550 2.479 3.995 1.00 11.51 H new ATOM 0 HA TYR A 9 -12.476 4.759 3.910 1.00 34.03 H new ATOM 0 HB2 TYR A 9 -10.149 5.920 3.405 1.00 23.45 H new ATOM 0 HB3 TYR A 9 -10.537 5.530 5.069 1.00 23.45 H new ATOM 0 HD1 TYR A 9 -9.636 3.283 5.997 1.00 32.35 H new ATOM 0 HD2 TYR A 9 -8.178 5.088 2.424 1.00 31.32 H new ATOM 0 HE1 TYR A 9 -7.510 1.918 6.168 1.00 14.04 H new ATOM 0 HE2 TYR A 9 -6.056 3.722 2.606 1.00 14.01 H new ATOM 0 HH TYR A 9 -5.787 1.102 4.688 1.00 62.13 H new ATOM 173 N PRO A 10 -11.909 5.318 1.442 1.00 21.33 N ATOM 174 CA PRO A 10 -11.933 5.370 -0.008 1.00 5.43 C ATOM 175 C PRO A 10 -10.519 5.506 -0.577 1.00 23.30 C ATOM 176 O PRO A 10 -9.563 5.709 0.170 1.00 24.20 O ATOM 177 CB PRO A 10 -12.825 6.554 -0.346 1.00 2.54 C ATOM 178 CG PRO A 10 -12.889 7.398 0.916 1.00 23.32 C ATOM 179 CD PRO A 10 -12.351 6.563 2.066 1.00 44.44 C ATOM 0 HA PRO A 10 -12.322 4.455 -0.454 1.00 5.43 H new ATOM 0 HB2 PRO A 10 -12.416 7.126 -1.179 1.00 2.54 H new ATOM 0 HB3 PRO A 10 -13.819 6.222 -0.645 1.00 2.54 H new ATOM 0 HG2 PRO A 10 -12.300 8.307 0.797 1.00 23.32 H new ATOM 0 HG3 PRO A 10 -13.915 7.707 1.116 1.00 23.32 H new ATOM 0 HD2 PRO A 10 -11.527 7.068 2.571 1.00 44.44 H new ATOM 0 HD3 PRO A 10 -13.120 6.379 2.816 1.00 44.44 H new ATOM 187 N PHE A 11 -10.430 5.388 -1.894 1.00 12.11 N ATOM 188 CA PHE A 11 -9.149 5.495 -2.570 1.00 25.15 C ATOM 189 C PHE A 11 -8.461 6.821 -2.234 1.00 3.34 C ATOM 190 O PHE A 11 -7.326 6.833 -1.765 1.00 13.02 O ATOM 191 CB PHE A 11 -9.432 5.448 -4.074 1.00 73.12 C ATOM 192 CG PHE A 11 -8.233 5.828 -4.945 1.00 53.51 C ATOM 193 CD1 PHE A 11 -7.934 7.138 -5.155 1.00 3.24 C ATOM 194 CD2 PHE A 11 -7.465 4.857 -5.506 1.00 64.31 C ATOM 195 CE1 PHE A 11 -6.821 7.492 -5.964 1.00 60.21 C ATOM 196 CE2 PHE A 11 -6.352 5.210 -6.314 1.00 0.24 C ATOM 197 CZ PHE A 11 -6.053 6.520 -6.526 1.00 72.02 C ATOM 0 H PHE A 11 -11.225 5.219 -2.511 1.00 12.11 H new ATOM 0 HA PHE A 11 -8.492 4.685 -2.254 1.00 25.15 H new ATOM 0 HB2 PHE A 11 -9.758 4.443 -4.341 1.00 73.12 H new ATOM 0 HB3 PHE A 11 -10.259 6.121 -4.299 1.00 73.12 H new ATOM 0 HD1 PHE A 11 -8.543 7.909 -4.707 1.00 3.24 H new ATOM 0 HD2 PHE A 11 -7.701 3.817 -5.337 1.00 64.31 H new ATOM 0 HE1 PHE A 11 -6.585 8.532 -6.133 1.00 60.21 H new ATOM 0 HE2 PHE A 11 -5.743 4.438 -6.760 1.00 0.24 H new ATOM 0 HZ PHE A 11 -5.206 6.788 -7.140 1.00 72.02 H new ATOM 207 N GLU A 12 -9.179 7.905 -2.488 1.00 32.21 N ATOM 208 CA GLU A 12 -8.653 9.232 -2.219 1.00 43.50 C ATOM 209 C GLU A 12 -7.866 9.234 -0.908 1.00 41.32 C ATOM 210 O GLU A 12 -6.927 10.013 -0.745 1.00 72.13 O ATOM 211 CB GLU A 12 -9.775 10.271 -2.186 1.00 61.12 C ATOM 212 CG GLU A 12 -9.859 11.031 -3.512 1.00 72.25 C ATOM 213 CD GLU A 12 -11.087 11.942 -3.547 1.00 53.25 C ATOM 214 OE1 GLU A 12 -11.976 11.753 -4.391 1.00 30.14 O ATOM 215 OE2 GLU A 12 -11.101 12.873 -2.654 1.00 20.32 O ATOM 0 H GLU A 12 -10.122 7.891 -2.878 1.00 32.21 H new ATOM 0 HA GLU A 12 -7.975 9.504 -3.028 1.00 43.50 H new ATOM 0 HB2 GLU A 12 -10.726 9.778 -1.985 1.00 61.12 H new ATOM 0 HB3 GLU A 12 -9.601 10.973 -1.371 1.00 61.12 H new ATOM 0 HG2 GLU A 12 -8.957 11.626 -3.651 1.00 72.25 H new ATOM 0 HG3 GLU A 12 -9.904 10.322 -4.339 1.00 72.25 H new ATOM 223 N LYS A 13 -8.276 8.355 -0.006 1.00 5.43 N ATOM 224 CA LYS A 13 -7.620 8.246 1.286 1.00 64.41 C ATOM 225 C LYS A 13 -6.374 7.369 1.148 1.00 40.34 C ATOM 226 O LYS A 13 -5.292 7.746 1.596 1.00 3.22 O ATOM 227 CB LYS A 13 -8.606 7.751 2.347 1.00 65.01 C ATOM 228 CG LYS A 13 -7.887 7.450 3.664 1.00 14.12 C ATOM 229 CD LYS A 13 -7.720 8.718 4.500 1.00 72.31 C ATOM 230 CE LYS A 13 -8.923 8.932 5.421 1.00 2.41 C ATOM 231 NZ LYS A 13 -8.520 9.677 6.635 1.00 34.20 N ATOM 0 H LYS A 13 -9.055 7.711 -0.144 1.00 5.43 H new ATOM 0 HA LYS A 13 -7.285 9.225 1.627 1.00 64.41 H new ATOM 0 HB2 LYS A 13 -9.376 8.504 2.513 1.00 65.01 H new ATOM 0 HB3 LYS A 13 -9.110 6.853 1.990 1.00 65.01 H new ATOM 0 HG2 LYS A 13 -8.452 6.709 4.230 1.00 14.12 H new ATOM 0 HG3 LYS A 13 -6.909 7.015 3.457 1.00 14.12 H new ATOM 0 HD2 LYS A 13 -6.810 8.648 5.096 1.00 72.31 H new ATOM 0 HD3 LYS A 13 -7.604 9.579 3.842 1.00 72.31 H new ATOM 0 HE2 LYS A 13 -9.701 9.482 4.891 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -9.349 7.969 5.703 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -9.348 9.814 7.249 1.00 34.20 H new ATOM 0 HZ2 LYS A 13 -7.794 9.138 7.148 1.00 34.20 H new ATOM 0 HZ3 LYS A 13 -8.135 10.604 6.362 1.00 34.20 H new ATOM 245 N ARG A 14 -6.567 6.214 0.525 1.00 61.35 N ATOM 246 CA ARG A 14 -5.471 5.281 0.323 1.00 70.54 C ATOM 247 C ARG A 14 -4.326 5.962 -0.428 1.00 72.40 C ATOM 248 O ARG A 14 -3.167 5.578 -0.281 1.00 21.25 O ATOM 249 CB ARG A 14 -5.933 4.054 -0.466 1.00 65.45 C ATOM 250 CG ARG A 14 -7.082 3.342 0.248 1.00 13.40 C ATOM 251 CD ARG A 14 -7.923 2.530 -0.738 1.00 22.22 C ATOM 252 NE ARG A 14 -9.358 2.642 -0.392 1.00 41.21 N ATOM 253 CZ ARG A 14 -10.363 2.205 -1.181 1.00 43.14 C ATOM 254 NH1 ARG A 14 -10.097 1.621 -2.370 1.00 33.03 N ATOM 255 NH2 ARG A 14 -11.608 2.357 -0.773 1.00 2.22 N ATOM 0 H ARG A 14 -7.465 5.904 0.154 1.00 61.35 H new ATOM 0 HA ARG A 14 -5.123 4.958 1.304 1.00 70.54 H new ATOM 0 HB2 ARG A 14 -6.253 4.358 -1.463 1.00 65.45 H new ATOM 0 HB3 ARG A 14 -5.098 3.365 -0.595 1.00 65.45 H new ATOM 0 HG2 ARG A 14 -6.683 2.683 1.019 1.00 13.40 H new ATOM 0 HG3 ARG A 14 -7.712 4.076 0.751 1.00 13.40 H new ATOM 0 HD2 ARG A 14 -7.756 2.890 -1.753 1.00 22.22 H new ATOM 0 HD3 ARG A 14 -7.616 1.484 -0.716 1.00 22.22 H new ATOM 0 HE ARG A 14 -9.603 3.076 0.498 1.00 41.21 H new ATOM 0 HH11 ARG A 14 -9.131 1.507 -2.678 1.00 33.03 H new ATOM 0 HH12 ARG A 14 -10.862 1.294 -2.960 1.00 33.03 H new ATOM 0 HH21 ARG A 14 -11.800 2.799 0.126 1.00 2.22 H new ATOM 0 HH22 ARG A 14 -12.379 2.033 -1.357 1.00 2.22 H new ATOM 269 N LYS A 15 -4.690 6.961 -1.219 1.00 2.20 N ATOM 270 CA LYS A 15 -3.707 7.698 -1.993 1.00 31.35 C ATOM 271 C LYS A 15 -3.067 8.771 -1.109 1.00 5.31 C ATOM 272 O LYS A 15 -1.849 8.948 -1.125 1.00 31.23 O ATOM 273 CB LYS A 15 -4.339 8.254 -3.272 1.00 63.02 C ATOM 274 CG LYS A 15 -4.706 9.730 -3.105 1.00 33.43 C ATOM 275 CD LYS A 15 -5.523 10.230 -4.298 1.00 1.00 C ATOM 276 CE LYS A 15 -5.776 11.735 -4.199 1.00 21.04 C ATOM 277 NZ LYS A 15 -6.650 12.189 -5.304 1.00 61.42 N ATOM 0 H LYS A 15 -5.652 7.277 -1.340 1.00 2.20 H new ATOM 0 HA LYS A 15 -2.907 7.035 -2.321 1.00 31.35 H new ATOM 0 HB2 LYS A 15 -3.645 8.140 -4.104 1.00 63.02 H new ATOM 0 HB3 LYS A 15 -5.231 7.679 -3.521 1.00 63.02 H new ATOM 0 HG2 LYS A 15 -5.277 9.865 -2.186 1.00 33.43 H new ATOM 0 HG3 LYS A 15 -3.798 10.325 -3.006 1.00 33.43 H new ATOM 0 HD2 LYS A 15 -4.994 10.007 -5.224 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -6.475 9.700 -4.339 1.00 1.00 H new ATOM 0 HE2 LYS A 15 -6.240 11.969 -3.241 1.00 21.04 H new ATOM 0 HE3 LYS A 15 -4.828 12.272 -4.234 1.00 21.04 H new ATOM 0 HZ1 LYS A 15 -6.852 13.203 -5.192 1.00 61.42 H new ATOM 0 HZ2 LYS A 15 -6.171 12.030 -6.213 1.00 61.42 H new ATOM 0 HZ3 LYS A 15 -7.541 11.654 -5.284 1.00 61.42 H new ATOM 291 N ALA A 16 -3.914 9.457 -0.357 1.00 43.45 N ATOM 292 CA ALA A 16 -3.447 10.505 0.533 1.00 33.41 C ATOM 293 C ALA A 16 -2.522 9.897 1.589 1.00 52.13 C ATOM 294 O ALA A 16 -1.610 10.562 2.079 1.00 11.03 O ATOM 295 CB ALA A 16 -4.648 11.223 1.152 1.00 50.03 C ATOM 0 H ALA A 16 -4.923 9.307 -0.346 1.00 43.45 H new ATOM 0 HA ALA A 16 -2.872 11.249 -0.019 1.00 33.41 H new ATOM 0 HB1 ALA A 16 -4.297 12.010 1.820 1.00 50.03 H new ATOM 0 HB2 ALA A 16 -5.256 11.663 0.361 1.00 50.03 H new ATOM 0 HB3 ALA A 16 -5.248 10.509 1.716 1.00 50.03 H new ATOM 301 N GLU A 17 -2.791 8.641 1.912 1.00 45.42 N ATOM 302 CA GLU A 17 -1.995 7.935 2.901 1.00 11.22 C ATOM 303 C GLU A 17 -0.620 7.588 2.329 1.00 13.51 C ATOM 304 O GLU A 17 0.405 8.001 2.871 1.00 44.12 O ATOM 305 CB GLU A 17 -2.718 6.678 3.392 1.00 32.21 C ATOM 306 CG GLU A 17 -1.758 5.752 4.142 1.00 41.44 C ATOM 307 CD GLU A 17 -1.284 6.393 5.447 1.00 1.55 C ATOM 308 OE1 GLU A 17 -0.209 6.044 5.955 1.00 64.25 O ATOM 309 OE2 GLU A 17 -2.077 7.286 5.935 1.00 63.21 O ATOM 0 H GLU A 17 -3.550 8.094 1.506 1.00 45.42 H new ATOM 0 HA GLU A 17 -1.854 8.592 3.759 1.00 11.22 H new ATOM 0 HB2 GLU A 17 -3.543 6.960 4.047 1.00 32.21 H new ATOM 0 HB3 GLU A 17 -3.152 6.149 2.544 1.00 32.21 H new ATOM 0 HG2 GLU A 17 -2.254 4.805 4.357 1.00 41.44 H new ATOM 0 HG3 GLU A 17 -0.899 5.525 3.511 1.00 41.44 H new ATOM 317 N SER A 18 -0.641 6.833 1.239 1.00 32.43 N ATOM 318 CA SER A 18 0.591 6.426 0.587 1.00 63.41 C ATOM 319 C SER A 18 1.421 7.658 0.221 1.00 73.40 C ATOM 320 O SER A 18 2.621 7.552 -0.028 1.00 73.04 O ATOM 321 CB SER A 18 0.303 5.591 -0.662 1.00 72.20 C ATOM 322 OG SER A 18 -0.889 4.821 -0.526 1.00 23.24 O ATOM 0 H SER A 18 -1.492 6.493 0.792 1.00 32.43 H new ATOM 0 HA SER A 18 1.158 5.807 1.283 1.00 63.41 H new ATOM 0 HB2 SER A 18 0.213 6.250 -1.526 1.00 72.20 H new ATOM 0 HB3 SER A 18 1.144 4.926 -0.855 1.00 72.20 H new ATOM 0 HG SER A 18 -0.813 4.237 0.257 1.00 23.24 H new ATOM 328 N GLU A 19 0.748 8.800 0.198 1.00 72.31 N ATOM 329 CA GLU A 19 1.409 10.051 -0.133 1.00 1.34 C ATOM 330 C GLU A 19 2.362 10.463 0.990 1.00 3.30 C ATOM 331 O GLU A 19 3.405 11.063 0.736 1.00 22.02 O ATOM 332 CB GLU A 19 0.386 11.154 -0.415 1.00 51.31 C ATOM 333 CG GLU A 19 -0.160 11.043 -1.841 1.00 25.43 C ATOM 334 CD GLU A 19 0.680 11.874 -2.814 1.00 10.12 C ATOM 335 OE1 GLU A 19 1.660 11.366 -3.377 1.00 65.44 O ATOM 336 OE2 GLU A 19 0.280 13.090 -2.977 1.00 13.54 O ATOM 0 H GLU A 19 -0.248 8.885 0.403 1.00 72.31 H new ATOM 0 HA GLU A 19 1.993 9.900 -1.041 1.00 1.34 H new ATOM 0 HB2 GLU A 19 -0.435 11.085 0.299 1.00 51.31 H new ATOM 0 HB3 GLU A 19 0.850 12.130 -0.274 1.00 51.31 H new ATOM 0 HG2 GLU A 19 -0.160 9.999 -2.154 1.00 25.43 H new ATOM 0 HG3 GLU A 19 -1.195 11.383 -1.866 1.00 25.43 H new ATOM 344 N ARG A 20 1.969 10.124 2.210 1.00 64.42 N ATOM 345 CA ARG A 20 2.774 10.450 3.374 1.00 61.32 C ATOM 346 C ARG A 20 3.762 9.320 3.671 1.00 72.54 C ATOM 347 O ARG A 20 4.892 9.570 4.087 1.00 12.42 O ATOM 348 CB ARG A 20 1.896 10.688 4.603 1.00 21.21 C ATOM 349 CG ARG A 20 0.721 11.609 4.268 1.00 4.23 C ATOM 350 CD ARG A 20 -0.258 11.698 5.441 1.00 54.55 C ATOM 351 NE ARG A 20 -0.493 10.351 6.007 1.00 51.32 N ATOM 352 CZ ARG A 20 -0.860 10.120 7.285 1.00 55.13 C ATOM 353 NH1 ARG A 20 -1.038 11.148 8.143 1.00 61.44 N ATOM 354 NH2 ARG A 20 -1.044 8.874 7.685 1.00 74.03 N ATOM 0 H ARG A 20 1.103 9.627 2.417 1.00 64.42 H new ATOM 0 HA ARG A 20 3.322 11.366 3.151 1.00 61.32 H new ATOM 0 HB2 ARG A 20 1.521 9.735 4.976 1.00 21.21 H new ATOM 0 HB3 ARG A 20 2.493 11.130 5.401 1.00 21.21 H new ATOM 0 HG2 ARG A 20 1.093 12.604 4.024 1.00 4.23 H new ATOM 0 HG3 ARG A 20 0.203 11.236 3.385 1.00 4.23 H new ATOM 0 HD2 ARG A 20 0.141 12.360 6.209 1.00 54.55 H new ATOM 0 HD3 ARG A 20 -1.201 12.131 5.106 1.00 54.55 H new ATOM 0 HE ARG A 20 -0.370 9.546 5.392 1.00 51.32 H new ATOM 0 HH11 ARG A 20 -0.895 12.107 7.826 1.00 61.44 H new ATOM 0 HH12 ARG A 20 -1.315 10.965 9.107 1.00 61.44 H new ATOM 0 HH21 ARG A 20 -0.909 8.103 7.031 1.00 74.03 H new ATOM 0 HH22 ARG A 20 -1.321 8.683 8.648 1.00 74.03 H new ATOM 368 N ILE A 21 3.299 8.099 3.446 1.00 62.20 N ATOM 369 CA ILE A 21 4.125 6.929 3.684 1.00 14.54 C ATOM 370 C ILE A 21 5.398 7.029 2.841 1.00 33.24 C ATOM 371 O ILE A 21 6.406 6.395 3.153 1.00 12.23 O ATOM 372 CB ILE A 21 3.325 5.648 3.439 1.00 70.13 C ATOM 373 CG1 ILE A 21 2.508 5.266 4.676 1.00 52.51 C ATOM 374 CG2 ILE A 21 4.239 4.509 2.982 1.00 40.52 C ATOM 375 CD1 ILE A 21 1.480 4.184 4.341 1.00 64.42 C ATOM 0 H ILE A 21 2.361 7.895 3.101 1.00 62.20 H new ATOM 0 HA ILE A 21 4.435 6.888 4.728 1.00 14.54 H new ATOM 0 HB ILE A 21 2.618 5.837 2.632 1.00 70.13 H new ATOM 0 HG12 ILE A 21 3.175 4.909 5.461 1.00 52.51 H new ATOM 0 HG13 ILE A 21 1.999 6.147 5.067 1.00 52.51 H new ATOM 0 HG21 ILE A 21 3.645 3.610 2.815 1.00 40.52 H new ATOM 0 HG22 ILE A 21 4.737 4.792 2.055 1.00 40.52 H new ATOM 0 HG23 ILE A 21 4.987 4.312 3.750 1.00 40.52 H new ATOM 0 HD11 ILE A 21 0.913 3.931 5.237 1.00 64.42 H new ATOM 0 HD12 ILE A 21 0.800 4.553 3.574 1.00 64.42 H new ATOM 0 HD13 ILE A 21 1.994 3.296 3.973 1.00 64.42 H new ATOM 387 N ALA A 22 5.311 7.830 1.789 1.00 53.32 N ATOM 388 CA ALA A 22 6.445 8.022 0.900 1.00 24.25 C ATOM 389 C ALA A 22 7.478 8.920 1.583 1.00 24.12 C ATOM 390 O ALA A 22 8.670 8.831 1.294 1.00 11.34 O ATOM 391 CB ALA A 22 5.957 8.602 -0.430 1.00 5.11 C ATOM 0 H ALA A 22 4.474 8.353 1.532 1.00 53.32 H new ATOM 0 HA ALA A 22 6.929 7.070 0.684 1.00 24.25 H new ATOM 0 HB1 ALA A 22 6.807 8.746 -1.097 1.00 5.11 H new ATOM 0 HB2 ALA A 22 5.248 7.913 -0.889 1.00 5.11 H new ATOM 0 HB3 ALA A 22 5.469 9.560 -0.252 1.00 5.11 H new ATOM 397 N ASP A 23 6.984 9.762 2.478 1.00 25.10 N ATOM 398 CA ASP A 23 7.850 10.674 3.205 1.00 52.05 C ATOM 399 C ASP A 23 8.305 10.011 4.505 1.00 73.32 C ATOM 400 O ASP A 23 9.304 10.419 5.097 1.00 52.31 O ATOM 401 CB ASP A 23 7.111 11.965 3.567 1.00 42.33 C ATOM 402 CG ASP A 23 7.956 13.011 4.296 1.00 74.04 C ATOM 403 OD1 ASP A 23 8.295 12.847 5.477 1.00 25.13 O ATOM 404 OD2 ASP A 23 8.273 14.044 3.591 1.00 10.42 O ATOM 0 H ASP A 23 5.995 9.832 2.716 1.00 25.10 H new ATOM 0 HA ASP A 23 8.701 10.912 2.566 1.00 52.05 H new ATOM 0 HB2 ASP A 23 6.719 12.410 2.653 1.00 42.33 H new ATOM 0 HB3 ASP A 23 6.254 11.712 4.192 1.00 42.33 H new ATOM 410 N ARG A 24 7.554 8.999 4.912 1.00 2.03 N ATOM 411 CA ARG A 24 7.868 8.275 6.131 1.00 72.20 C ATOM 412 C ARG A 24 8.793 7.096 5.824 1.00 42.41 C ATOM 413 O ARG A 24 9.622 6.720 6.652 1.00 42.21 O ATOM 414 CB ARG A 24 6.597 7.756 6.806 1.00 3.23 C ATOM 415 CG ARG A 24 6.247 8.596 8.035 1.00 41.44 C ATOM 416 CD ARG A 24 4.751 8.518 8.346 1.00 53.35 C ATOM 417 NE ARG A 24 4.441 7.242 9.028 1.00 3.11 N ATOM 418 CZ ARG A 24 4.490 7.068 10.365 1.00 64.41 C ATOM 419 NH1 ARG A 24 4.835 8.090 11.177 1.00 24.30 N ATOM 420 NH2 ARG A 24 4.193 5.884 10.869 1.00 54.54 N ATOM 0 H ARG A 24 6.727 8.663 4.418 1.00 2.03 H new ATOM 0 HA ARG A 24 8.368 8.967 6.809 1.00 72.20 H new ATOM 0 HB2 ARG A 24 5.769 7.779 6.097 1.00 3.23 H new ATOM 0 HB3 ARG A 24 6.736 6.716 7.100 1.00 3.23 H new ATOM 0 HG2 ARG A 24 6.819 8.246 8.894 1.00 41.44 H new ATOM 0 HG3 ARG A 24 6.533 9.634 7.864 1.00 41.44 H new ATOM 0 HD2 ARG A 24 4.458 9.357 8.977 1.00 53.35 H new ATOM 0 HD3 ARG A 24 4.175 8.596 7.424 1.00 53.35 H new ATOM 0 HE ARG A 24 4.174 6.444 8.451 1.00 3.11 H new ATOM 0 HH11 ARG A 24 5.061 9.002 10.781 1.00 24.30 H new ATOM 0 HH12 ARG A 24 4.870 7.950 12.187 1.00 24.30 H new ATOM 0 HH21 ARG A 24 3.931 5.117 10.250 1.00 54.54 H new ATOM 0 HH22 ARG A 24 4.225 5.736 11.878 1.00 54.54 H new ATOM 434 N PHE A 25 8.621 6.544 4.633 1.00 64.32 N ATOM 435 CA PHE A 25 9.429 5.415 4.206 1.00 21.45 C ATOM 436 C PHE A 25 9.548 5.369 2.681 1.00 22.31 C ATOM 437 O PHE A 25 8.766 4.695 2.013 1.00 4.20 O ATOM 438 CB PHE A 25 8.718 4.148 4.687 1.00 21.33 C ATOM 439 CG PHE A 25 8.056 4.290 6.059 1.00 40.00 C ATOM 440 CD1 PHE A 25 8.821 4.361 7.181 1.00 31.32 C ATOM 441 CD2 PHE A 25 6.699 4.345 6.157 1.00 62.14 C ATOM 442 CE1 PHE A 25 8.207 4.492 8.454 1.00 64.13 C ATOM 443 CE2 PHE A 25 6.086 4.477 7.429 1.00 33.12 C ATOM 444 CZ PHE A 25 6.851 4.547 8.551 1.00 35.34 C ATOM 0 H PHE A 25 7.933 6.858 3.949 1.00 64.32 H new ATOM 0 HA PHE A 25 10.434 5.501 4.620 1.00 21.45 H new ATOM 0 HB2 PHE A 25 7.959 3.869 3.956 1.00 21.33 H new ATOM 0 HB3 PHE A 25 9.439 3.331 4.725 1.00 21.33 H new ATOM 0 HD1 PHE A 25 9.897 4.318 7.103 1.00 31.32 H new ATOM 0 HD2 PHE A 25 6.090 4.288 5.267 1.00 62.14 H new ATOM 0 HE1 PHE A 25 8.815 4.548 9.345 1.00 64.13 H new ATOM 0 HE2 PHE A 25 5.010 4.522 7.507 1.00 33.12 H new ATOM 0 HZ PHE A 25 6.382 4.646 9.519 1.00 35.34 H new ATOM 454 N PRO A 26 10.560 6.116 2.161 1.00 41.11 N ATOM 455 CA PRO A 26 10.791 6.168 0.728 1.00 13.25 C ATOM 456 C PRO A 26 11.443 4.876 0.231 1.00 62.02 C ATOM 457 O PRO A 26 11.446 4.600 -0.968 1.00 74.20 O ATOM 458 CB PRO A 26 11.663 7.395 0.515 1.00 14.12 C ATOM 459 CG PRO A 26 12.270 7.715 1.871 1.00 11.53 C ATOM 460 CD PRO A 26 11.506 6.927 2.922 1.00 22.31 C ATOM 0 HA PRO A 26 9.867 6.248 0.155 1.00 13.25 H new ATOM 0 HB2 PRO A 26 12.440 7.199 -0.224 1.00 14.12 H new ATOM 0 HB3 PRO A 26 11.074 8.233 0.143 1.00 14.12 H new ATOM 0 HG2 PRO A 26 13.327 7.449 1.888 1.00 11.53 H new ATOM 0 HG3 PRO A 26 12.207 8.784 2.075 1.00 11.53 H new ATOM 0 HD2 PRO A 26 12.176 6.303 3.514 1.00 22.31 H new ATOM 0 HD3 PRO A 26 10.990 7.590 3.617 1.00 22.31 H new ATOM 468 N ASN A 27 11.980 4.120 1.177 1.00 3.54 N ATOM 469 CA ASN A 27 12.632 2.864 0.850 1.00 53.31 C ATOM 470 C ASN A 27 11.779 1.702 1.361 1.00 42.04 C ATOM 471 O ASN A 27 12.284 0.803 2.031 1.00 41.30 O ATOM 472 CB ASN A 27 14.007 2.769 1.516 1.00 71.12 C ATOM 473 CG ASN A 27 13.998 3.439 2.891 1.00 53.14 C ATOM 474 OD1 ASN A 27 13.031 3.382 3.632 1.00 72.44 O ATOM 475 ND2 ASN A 27 15.127 4.076 3.189 1.00 54.31 N ATOM 0 H ASN A 27 11.977 4.353 2.170 1.00 3.54 H new ATOM 0 HA ASN A 27 12.750 2.817 -0.233 1.00 53.31 H new ATOM 0 HB2 ASN A 27 14.293 1.722 1.619 1.00 71.12 H new ATOM 0 HB3 ASN A 27 14.756 3.243 0.881 1.00 71.12 H new ATOM 0 HD21 ASN A 27 15.221 4.556 4.084 1.00 54.31 H new ATOM 0 HD22 ASN A 27 15.899 4.085 2.522 1.00 54.31 H new ATOM 482 N ARG A 28 10.499 1.757 1.022 1.00 14.04 N ATOM 483 CA ARG A 28 9.569 0.721 1.437 1.00 70.34 C ATOM 484 C ARG A 28 8.684 0.299 0.263 1.00 20.11 C ATOM 485 O ARG A 28 8.843 0.799 -0.849 1.00 11.54 O ATOM 486 CB ARG A 28 8.683 1.203 2.588 1.00 32.42 C ATOM 487 CG ARG A 28 9.405 1.069 3.929 1.00 75.13 C ATOM 488 CD ARG A 28 9.787 -0.386 4.205 1.00 41.41 C ATOM 489 NE ARG A 28 9.692 -0.670 5.654 1.00 33.42 N ATOM 490 CZ ARG A 28 10.479 -0.099 6.589 1.00 25.54 C ATOM 491 NH1 ARG A 28 11.430 0.792 6.235 1.00 25.31 N ATOM 492 NH2 ARG A 28 10.308 -0.426 7.858 1.00 71.52 N ATOM 0 H ARG A 28 10.084 2.504 0.464 1.00 14.04 H new ATOM 0 HA ARG A 28 10.156 -0.132 1.778 1.00 70.34 H new ATOM 0 HB2 ARG A 28 8.402 2.244 2.424 1.00 32.42 H new ATOM 0 HB3 ARG A 28 7.760 0.623 2.608 1.00 32.42 H new ATOM 0 HG2 ARG A 28 10.301 1.689 3.927 1.00 75.13 H new ATOM 0 HG3 ARG A 28 8.764 1.438 4.729 1.00 75.13 H new ATOM 0 HD2 ARG A 28 9.128 -1.055 3.651 1.00 41.41 H new ATOM 0 HD3 ARG A 28 10.801 -0.577 3.855 1.00 41.41 H new ATOM 0 HE ARG A 28 8.988 -1.339 5.965 1.00 33.42 H new ATOM 0 HH11 ARG A 28 11.558 1.038 5.254 1.00 25.31 H new ATOM 0 HH12 ARG A 28 12.020 1.219 6.949 1.00 25.31 H new ATOM 0 HH21 ARG A 28 9.589 -1.101 8.118 1.00 71.52 H new ATOM 0 HH22 ARG A 28 10.895 -0.003 8.577 1.00 71.52 H new ATOM 506 N ILE A 29 7.772 -0.619 0.550 1.00 73.21 N ATOM 507 CA ILE A 29 6.862 -1.113 -0.470 1.00 73.02 C ATOM 508 C ILE A 29 5.502 -1.408 0.167 1.00 4.10 C ATOM 509 O ILE A 29 5.304 -2.472 0.751 1.00 71.12 O ATOM 510 CB ILE A 29 7.473 -2.313 -1.197 1.00 63.20 C ATOM 511 CG1 ILE A 29 8.794 -1.931 -1.870 1.00 33.13 C ATOM 512 CG2 ILE A 29 6.477 -2.916 -2.190 1.00 31.31 C ATOM 513 CD1 ILE A 29 8.562 -0.926 -3.000 1.00 4.23 C ATOM 0 H ILE A 29 7.644 -1.033 1.473 1.00 73.21 H new ATOM 0 HA ILE A 29 6.699 -0.354 -1.236 1.00 73.02 H new ATOM 0 HB ILE A 29 7.698 -3.083 -0.459 1.00 63.20 H new ATOM 0 HG12 ILE A 29 9.472 -1.503 -1.132 1.00 33.13 H new ATOM 0 HG13 ILE A 29 9.276 -2.825 -2.266 1.00 33.13 H new ATOM 0 HG21 ILE A 29 6.935 -3.767 -2.694 1.00 31.31 H new ATOM 0 HG22 ILE A 29 5.586 -3.247 -1.656 1.00 31.31 H new ATOM 0 HG23 ILE A 29 6.199 -2.164 -2.929 1.00 31.31 H new ATOM 0 HD11 ILE A 29 9.516 -0.671 -3.462 1.00 4.23 H new ATOM 0 HD12 ILE A 29 7.903 -1.366 -3.748 1.00 4.23 H new ATOM 0 HD13 ILE A 29 8.102 -0.024 -2.596 1.00 4.23 H new ATOM 525 N PRO A 30 4.577 -0.420 0.030 1.00 11.44 N ATOM 526 CA PRO A 30 3.242 -0.563 0.585 1.00 41.20 C ATOM 527 C PRO A 30 2.398 -1.520 -0.259 1.00 64.02 C ATOM 528 O PRO A 30 2.236 -1.316 -1.462 1.00 31.24 O ATOM 529 CB PRO A 30 2.680 0.848 0.625 1.00 23.13 C ATOM 530 CG PRO A 30 3.533 1.665 -0.332 1.00 14.13 C ATOM 531 CD PRO A 30 4.778 0.854 -0.654 1.00 23.23 C ATOM 0 HA PRO A 30 3.245 -1.004 1.582 1.00 41.20 H new ATOM 0 HB2 PRO A 30 1.633 0.860 0.322 1.00 23.13 H new ATOM 0 HB3 PRO A 30 2.724 1.257 1.634 1.00 23.13 H new ATOM 0 HG2 PRO A 30 2.977 1.889 -1.242 1.00 14.13 H new ATOM 0 HG3 PRO A 30 3.805 2.619 0.119 1.00 14.13 H new ATOM 0 HD2 PRO A 30 4.892 0.713 -1.729 1.00 23.23 H new ATOM 0 HD3 PRO A 30 5.679 1.355 -0.301 1.00 23.23 H new ATOM 539 N VAL A 31 1.879 -2.543 0.404 1.00 35.55 N ATOM 540 CA VAL A 31 1.055 -3.531 -0.270 1.00 53.01 C ATOM 541 C VAL A 31 -0.194 -3.807 0.572 1.00 30.13 C ATOM 542 O VAL A 31 -0.312 -3.315 1.693 1.00 73.51 O ATOM 543 CB VAL A 31 1.875 -4.791 -0.553 1.00 32.41 C ATOM 544 CG1 VAL A 31 3.369 -4.469 -0.625 1.00 75.34 C ATOM 545 CG2 VAL A 31 1.598 -5.873 0.493 1.00 45.11 C ATOM 0 H VAL A 31 2.013 -2.709 1.401 1.00 35.55 H new ATOM 0 HA VAL A 31 0.720 -3.154 -1.236 1.00 53.01 H new ATOM 0 HB VAL A 31 1.568 -5.178 -1.525 1.00 32.41 H new ATOM 0 HG11 VAL A 31 3.929 -5.382 -0.827 1.00 75.34 H new ATOM 0 HG12 VAL A 31 3.548 -3.749 -1.424 1.00 75.34 H new ATOM 0 HG13 VAL A 31 3.696 -4.046 0.325 1.00 75.34 H new ATOM 0 HG21 VAL A 31 2.194 -6.758 0.268 1.00 45.11 H new ATOM 0 HG22 VAL A 31 1.863 -5.499 1.482 1.00 45.11 H new ATOM 0 HG23 VAL A 31 0.540 -6.134 0.475 1.00 45.11 H new ATOM 555 N ILE A 32 -1.094 -4.590 -0.003 1.00 65.24 N ATOM 556 CA ILE A 32 -2.329 -4.936 0.679 1.00 51.12 C ATOM 557 C ILE A 32 -2.631 -6.420 0.457 1.00 43.11 C ATOM 558 O ILE A 32 -3.081 -6.812 -0.620 1.00 14.33 O ATOM 559 CB ILE A 32 -3.462 -4.006 0.241 1.00 11.34 C ATOM 560 CG1 ILE A 32 -3.000 -2.548 0.229 1.00 25.11 C ATOM 561 CG2 ILE A 32 -4.704 -4.207 1.114 1.00 63.41 C ATOM 562 CD1 ILE A 32 -2.920 -1.985 1.650 1.00 50.14 C ATOM 0 H ILE A 32 -0.993 -4.995 -0.934 1.00 65.24 H new ATOM 0 HA ILE A 32 -2.224 -4.789 1.754 1.00 51.12 H new ATOM 0 HB ILE A 32 -3.741 -4.264 -0.781 1.00 11.34 H new ATOM 0 HG12 ILE A 32 -2.023 -2.476 -0.250 1.00 25.11 H new ATOM 0 HG13 ILE A 32 -3.691 -1.949 -0.365 1.00 25.11 H new ATOM 0 HG21 ILE A 32 -5.495 -3.534 0.782 1.00 63.41 H new ATOM 0 HG22 ILE A 32 -5.046 -5.239 1.029 1.00 63.41 H new ATOM 0 HG23 ILE A 32 -4.457 -3.991 2.153 1.00 63.41 H new ATOM 0 HD11 ILE A 32 -2.589 -0.947 1.612 1.00 50.14 H new ATOM 0 HD12 ILE A 32 -3.903 -2.035 2.117 1.00 50.14 H new ATOM 0 HD13 ILE A 32 -2.210 -2.571 2.234 1.00 50.14 H new ATOM 574 N CYS A 33 -2.371 -7.206 1.491 1.00 2.21 N ATOM 575 CA CYS A 33 -2.609 -8.638 1.422 1.00 35.42 C ATOM 576 C CYS A 33 -4.116 -8.880 1.536 1.00 3.32 C ATOM 577 O CYS A 33 -4.761 -8.374 2.452 1.00 43.20 O ATOM 578 CB CYS A 33 -1.826 -9.394 2.498 1.00 33.30 C ATOM 579 SG CYS A 33 -1.212 -10.981 1.824 1.00 13.01 S ATOM 0 H CYS A 33 -1.998 -6.878 2.382 1.00 2.21 H new ATOM 0 HA CYS A 33 -2.251 -9.024 0.467 1.00 35.42 H new ATOM 0 HB2 CYS A 33 -0.989 -8.788 2.844 1.00 33.30 H new ATOM 0 HB3 CYS A 33 -2.464 -9.579 3.362 1.00 33.30 H new ATOM 0 HG CYS A 33 -2.055 -11.929 2.108 1.00 13.01 H new ATOM 585 N GLU A 34 -4.631 -9.656 0.594 1.00 15.11 N ATOM 586 CA GLU A 34 -6.050 -9.971 0.577 1.00 60.01 C ATOM 587 C GLU A 34 -6.256 -11.485 0.656 1.00 42.00 C ATOM 588 O GLU A 34 -5.327 -12.256 0.424 1.00 21.50 O ATOM 589 CB GLU A 34 -6.725 -9.388 -0.666 1.00 74.13 C ATOM 590 CG GLU A 34 -8.213 -9.131 -0.411 1.00 21.12 C ATOM 591 CD GLU A 34 -9.058 -10.333 -0.837 1.00 33.02 C ATOM 592 OE1 GLU A 34 -9.959 -10.753 -0.094 1.00 61.31 O ATOM 593 OE2 GLU A 34 -8.754 -10.834 -1.986 1.00 64.42 O ATOM 0 H GLU A 34 -4.092 -10.076 -0.163 1.00 15.11 H new ATOM 0 HA GLU A 34 -6.516 -9.514 1.450 1.00 60.01 H new ATOM 0 HB2 GLU A 34 -6.234 -8.456 -0.948 1.00 74.13 H new ATOM 0 HB3 GLU A 34 -6.609 -10.076 -1.504 1.00 74.13 H new ATOM 0 HG2 GLU A 34 -8.374 -8.926 0.647 1.00 21.12 H new ATOM 0 HG3 GLU A 34 -8.532 -8.245 -0.960 1.00 21.12 H new ATOM 601 N LYS A 35 -7.483 -11.866 0.983 1.00 12.15 N ATOM 602 CA LYS A 35 -7.825 -13.274 1.096 1.00 74.11 C ATOM 603 C LYS A 35 -8.957 -13.599 0.118 1.00 65.13 C ATOM 604 O LYS A 35 -10.081 -13.129 0.287 1.00 52.34 O ATOM 605 CB LYS A 35 -8.144 -13.633 2.547 1.00 54.43 C ATOM 606 CG LYS A 35 -7.668 -15.050 2.879 1.00 11.23 C ATOM 607 CD LYS A 35 -8.564 -16.097 2.214 1.00 11.40 C ATOM 608 CE LYS A 35 -9.667 -16.561 3.169 1.00 71.14 C ATOM 609 NZ LYS A 35 -10.483 -17.623 2.540 1.00 23.43 N ATOM 0 H LYS A 35 -8.252 -11.224 1.173 1.00 12.15 H new ATOM 0 HA LYS A 35 -6.974 -13.896 0.818 1.00 74.11 H new ATOM 0 HB2 LYS A 35 -7.665 -12.918 3.216 1.00 54.43 H new ATOM 0 HB3 LYS A 35 -9.218 -13.557 2.716 1.00 54.43 H new ATOM 0 HG2 LYS A 35 -6.639 -15.180 2.544 1.00 11.23 H new ATOM 0 HG3 LYS A 35 -7.672 -15.195 3.959 1.00 11.23 H new ATOM 0 HD2 LYS A 35 -9.011 -15.678 1.312 1.00 11.40 H new ATOM 0 HD3 LYS A 35 -7.963 -16.952 1.904 1.00 11.40 H new ATOM 0 HE2 LYS A 35 -9.224 -16.933 4.093 1.00 71.14 H new ATOM 0 HE3 LYS A 35 -10.302 -15.717 3.438 1.00 71.14 H new ATOM 0 HZ1 LYS A 35 -10.906 -18.219 3.279 1.00 23.43 H new ATOM 0 HZ2 LYS A 35 -11.238 -17.190 1.971 1.00 23.43 H new ATOM 0 HZ3 LYS A 35 -9.879 -18.207 1.927 1.00 23.43 H new ATOM 623 N ALA A 36 -8.620 -14.400 -0.882 1.00 44.15 N ATOM 624 CA ALA A 36 -9.593 -14.793 -1.885 1.00 42.21 C ATOM 625 C ALA A 36 -10.845 -15.337 -1.191 1.00 35.03 C ATOM 626 O ALA A 36 -10.820 -15.620 0.006 1.00 61.54 O ATOM 627 CB ALA A 36 -8.964 -15.814 -2.836 1.00 55.13 C ATOM 0 H ALA A 36 -7.686 -14.787 -1.019 1.00 44.15 H new ATOM 0 HA ALA A 36 -9.895 -13.933 -2.483 1.00 42.21 H new ATOM 0 HB1 ALA A 36 -9.695 -16.109 -3.589 1.00 55.13 H new ATOM 0 HB2 ALA A 36 -8.098 -15.369 -3.326 1.00 55.13 H new ATOM 0 HB3 ALA A 36 -8.651 -16.692 -2.271 1.00 55.13 H new ATOM 633 N GLU A 37 -11.907 -15.466 -1.972 1.00 33.15 N ATOM 634 CA GLU A 37 -13.164 -15.970 -1.448 1.00 72.10 C ATOM 635 C GLU A 37 -13.246 -17.487 -1.635 1.00 21.01 C ATOM 636 O GLU A 37 -13.581 -18.214 -0.701 1.00 64.00 O ATOM 637 CB GLU A 37 -14.354 -15.271 -2.107 1.00 2.12 C ATOM 638 CG GLU A 37 -14.466 -15.654 -3.584 1.00 54.13 C ATOM 639 CD GLU A 37 -15.500 -14.783 -4.300 1.00 3.31 C ATOM 640 OE1 GLU A 37 -15.525 -13.559 -4.100 1.00 60.30 O ATOM 641 OE2 GLU A 37 -16.299 -15.421 -5.088 1.00 23.54 O ATOM 0 H GLU A 37 -11.923 -15.230 -2.964 1.00 33.15 H new ATOM 0 HA GLU A 37 -13.204 -15.752 -0.381 1.00 72.10 H new ATOM 0 HB2 GLU A 37 -15.273 -15.542 -1.587 1.00 2.12 H new ATOM 0 HB3 GLU A 37 -14.242 -14.191 -2.015 1.00 2.12 H new ATOM 0 HG2 GLU A 37 -13.495 -15.543 -4.067 1.00 54.13 H new ATOM 0 HG3 GLU A 37 -14.747 -16.704 -3.671 1.00 54.13 H new ATOM 649 N LYS A 38 -12.939 -17.919 -2.849 1.00 32.50 N ATOM 650 CA LYS A 38 -12.974 -19.335 -3.171 1.00 70.13 C ATOM 651 C LYS A 38 -12.060 -20.096 -2.209 1.00 34.33 C ATOM 652 O LYS A 38 -12.236 -21.294 -1.997 1.00 61.34 O ATOM 653 CB LYS A 38 -12.635 -19.557 -4.647 1.00 31.21 C ATOM 654 CG LYS A 38 -13.637 -18.839 -5.553 1.00 30.31 C ATOM 655 CD LYS A 38 -13.281 -19.039 -7.029 1.00 62.11 C ATOM 656 CE LYS A 38 -13.932 -17.963 -7.898 1.00 24.23 C ATOM 657 NZ LYS A 38 -15.404 -18.126 -7.913 1.00 2.33 N ATOM 0 H LYS A 38 -12.665 -17.313 -3.622 1.00 32.50 H new ATOM 0 HA LYS A 38 -13.980 -19.732 -3.035 1.00 70.13 H new ATOM 0 HB2 LYS A 38 -11.628 -19.193 -4.851 1.00 31.21 H new ATOM 0 HB3 LYS A 38 -12.639 -20.624 -4.868 1.00 31.21 H new ATOM 0 HG2 LYS A 38 -14.641 -19.217 -5.363 1.00 30.31 H new ATOM 0 HG3 LYS A 38 -13.648 -17.775 -5.318 1.00 30.31 H new ATOM 0 HD2 LYS A 38 -12.199 -19.007 -7.154 1.00 62.11 H new ATOM 0 HD3 LYS A 38 -13.611 -20.025 -7.356 1.00 62.11 H new ATOM 0 HE2 LYS A 38 -13.674 -16.975 -7.517 1.00 24.23 H new ATOM 0 HE3 LYS A 38 -13.543 -18.024 -8.915 1.00 24.23 H new ATOM 0 HZ1 LYS A 38 -15.829 -17.387 -8.508 1.00 2.33 H new ATOM 0 HZ2 LYS A 38 -15.646 -19.062 -8.298 1.00 2.33 H new ATOM 0 HZ3 LYS A 38 -15.772 -18.045 -6.944 1.00 2.33 H new ATOM 671 N SER A 39 -11.103 -19.367 -1.651 1.00 31.52 N ATOM 672 CA SER A 39 -10.161 -19.958 -0.716 1.00 23.13 C ATOM 673 C SER A 39 -10.915 -20.584 0.460 1.00 61.22 C ATOM 674 O SER A 39 -12.038 -20.187 0.764 1.00 52.33 O ATOM 675 CB SER A 39 -9.159 -18.918 -0.213 1.00 23.31 C ATOM 676 OG SER A 39 -8.729 -19.192 1.118 1.00 4.43 O ATOM 0 H SER A 39 -10.960 -18.373 -1.829 1.00 31.52 H new ATOM 0 HA SER A 39 -9.603 -20.736 -1.237 1.00 23.13 H new ATOM 0 HB2 SER A 39 -8.294 -18.897 -0.876 1.00 23.31 H new ATOM 0 HB3 SER A 39 -9.614 -17.928 -0.251 1.00 23.31 H new ATOM 0 HG SER A 39 -7.798 -18.906 1.226 1.00 4.43 H new ATOM 682 N ASP A 40 -10.264 -21.550 1.091 1.00 65.12 N ATOM 683 CA ASP A 40 -10.858 -22.234 2.227 1.00 2.54 C ATOM 684 C ASP A 40 -10.029 -21.947 3.481 1.00 55.42 C ATOM 685 O ASP A 40 -10.188 -22.613 4.502 1.00 54.00 O ATOM 686 CB ASP A 40 -10.876 -23.749 2.011 1.00 11.34 C ATOM 687 CG ASP A 40 -11.893 -24.242 0.980 1.00 55.40 C ATOM 688 OD1 ASP A 40 -12.894 -24.886 1.327 1.00 20.22 O ATOM 689 OD2 ASP A 40 -11.622 -23.936 -0.244 1.00 14.32 O ATOM 0 H ASP A 40 -9.331 -21.875 0.837 1.00 65.12 H new ATOM 0 HA ASP A 40 -11.880 -21.873 2.340 1.00 2.54 H new ATOM 0 HB2 ASP A 40 -9.881 -24.069 1.700 1.00 11.34 H new ATOM 0 HB3 ASP A 40 -11.083 -24.235 2.965 1.00 11.34 H new ATOM 695 N ILE A 41 -9.161 -20.952 3.361 1.00 65.22 N ATOM 696 CA ILE A 41 -8.307 -20.568 4.471 1.00 75.43 C ATOM 697 C ILE A 41 -9.006 -19.485 5.297 1.00 34.44 C ATOM 698 O ILE A 41 -9.960 -18.865 4.831 1.00 24.44 O ATOM 699 CB ILE A 41 -6.922 -20.156 3.965 1.00 1.44 C ATOM 700 CG1 ILE A 41 -6.837 -18.640 3.773 1.00 4.10 C ATOM 701 CG2 ILE A 41 -6.555 -20.918 2.689 1.00 21.52 C ATOM 702 CD1 ILE A 41 -5.739 -18.276 2.770 1.00 2.30 C ATOM 0 H ILE A 41 -9.032 -20.401 2.512 1.00 65.22 H new ATOM 0 HA ILE A 41 -8.140 -21.417 5.133 1.00 75.43 H new ATOM 0 HB ILE A 41 -6.187 -20.426 4.723 1.00 1.44 H new ATOM 0 HG12 ILE A 41 -7.796 -18.260 3.422 1.00 4.10 H new ATOM 0 HG13 ILE A 41 -6.635 -18.159 4.730 1.00 4.10 H new ATOM 0 HG21 ILE A 41 -5.567 -20.607 2.351 1.00 21.52 H new ATOM 0 HG22 ILE A 41 -6.548 -21.989 2.894 1.00 21.52 H new ATOM 0 HG23 ILE A 41 -7.289 -20.702 1.913 1.00 21.52 H new ATOM 0 HD11 ILE A 41 -5.699 -17.193 2.651 1.00 2.30 H new ATOM 0 HD12 ILE A 41 -4.778 -18.637 3.136 1.00 2.30 H new ATOM 0 HD13 ILE A 41 -5.957 -18.739 1.808 1.00 2.30 H new ATOM 714 N PRO A 42 -8.490 -19.288 6.540 1.00 50.44 N ATOM 715 CA PRO A 42 -9.054 -18.291 7.434 1.00 24.42 C ATOM 716 C PRO A 42 -8.654 -16.879 7.005 1.00 24.50 C ATOM 717 O PRO A 42 -7.478 -16.610 6.762 1.00 43.12 O ATOM 718 CB PRO A 42 -8.537 -18.662 8.814 1.00 64.40 C ATOM 719 CG PRO A 42 -7.336 -19.566 8.580 1.00 30.21 C ATOM 720 CD PRO A 42 -7.360 -20.004 7.123 1.00 32.44 C ATOM 0 HA PRO A 42 -10.144 -18.284 7.420 1.00 24.42 H new ATOM 0 HB2 PRO A 42 -8.253 -17.773 9.377 1.00 64.40 H new ATOM 0 HB3 PRO A 42 -9.305 -19.174 9.394 1.00 64.40 H new ATOM 0 HG2 PRO A 42 -6.410 -19.037 8.804 1.00 30.21 H new ATOM 0 HG3 PRO A 42 -7.376 -20.433 9.240 1.00 30.21 H new ATOM 0 HD2 PRO A 42 -6.428 -19.751 6.618 1.00 32.44 H new ATOM 0 HD3 PRO A 42 -7.487 -21.083 7.036 1.00 32.44 H new ATOM 728 N GLU A 43 -9.654 -16.013 6.924 1.00 42.44 N ATOM 729 CA GLU A 43 -9.419 -14.635 6.528 1.00 50.22 C ATOM 730 C GLU A 43 -8.513 -13.937 7.544 1.00 11.31 C ATOM 731 O GLU A 43 -8.569 -14.233 8.736 1.00 21.42 O ATOM 732 CB GLU A 43 -10.740 -13.881 6.363 1.00 1.13 C ATOM 733 CG GLU A 43 -10.510 -12.501 5.741 1.00 32.10 C ATOM 734 CD GLU A 43 -11.821 -11.721 5.635 1.00 74.43 C ATOM 735 OE1 GLU A 43 -12.341 -11.529 4.527 1.00 70.25 O ATOM 736 OE2 GLU A 43 -12.303 -11.309 6.760 1.00 12.44 O ATOM 0 H GLU A 43 -10.628 -16.239 7.126 1.00 42.44 H new ATOM 0 HA GLU A 43 -8.914 -14.636 5.562 1.00 50.22 H new ATOM 0 HB2 GLU A 43 -11.417 -14.459 5.734 1.00 1.13 H new ATOM 0 HB3 GLU A 43 -11.223 -13.770 7.334 1.00 1.13 H new ATOM 0 HG2 GLU A 43 -9.797 -11.940 6.346 1.00 32.10 H new ATOM 0 HG3 GLU A 43 -10.069 -12.614 4.751 1.00 32.10 H new ATOM 744 N ILE A 44 -7.698 -13.027 7.034 1.00 60.22 N ATOM 745 CA ILE A 44 -6.779 -12.284 7.882 1.00 23.32 C ATOM 746 C ILE A 44 -7.567 -11.272 8.716 1.00 4.52 C ATOM 747 O ILE A 44 -8.767 -11.092 8.510 1.00 3.42 O ATOM 748 CB ILE A 44 -5.665 -11.655 7.044 1.00 42.45 C ATOM 749 CG1 ILE A 44 -4.519 -11.167 7.934 1.00 43.41 C ATOM 750 CG2 ILE A 44 -6.213 -10.541 6.152 1.00 73.53 C ATOM 751 CD1 ILE A 44 -3.177 -11.279 7.208 1.00 33.21 C ATOM 0 H ILE A 44 -7.654 -12.786 6.044 1.00 60.22 H new ATOM 0 HA ILE A 44 -6.280 -12.955 8.581 1.00 23.32 H new ATOM 0 HB ILE A 44 -5.257 -12.422 6.386 1.00 42.45 H new ATOM 0 HG12 ILE A 44 -4.695 -10.131 8.224 1.00 43.41 H new ATOM 0 HG13 ILE A 44 -4.491 -11.755 8.852 1.00 43.41 H new ATOM 0 HG21 ILE A 44 -5.400 -10.111 5.567 1.00 73.53 H new ATOM 0 HG22 ILE A 44 -6.967 -10.951 5.480 1.00 73.53 H new ATOM 0 HG23 ILE A 44 -6.663 -9.766 6.773 1.00 73.53 H new ATOM 0 HD11 ILE A 44 -2.379 -10.926 7.862 1.00 33.21 H new ATOM 0 HD12 ILE A 44 -2.994 -12.320 6.941 1.00 33.21 H new ATOM 0 HD13 ILE A 44 -3.201 -10.671 6.304 1.00 33.21 H new ATOM 763 N ASP A 45 -6.862 -10.637 9.640 1.00 33.03 N ATOM 764 CA ASP A 45 -7.481 -9.647 10.505 1.00 71.14 C ATOM 765 C ASP A 45 -7.723 -8.362 9.713 1.00 0.43 C ATOM 766 O ASP A 45 -8.802 -7.775 9.788 1.00 74.13 O ATOM 767 CB ASP A 45 -6.573 -9.309 11.691 1.00 41.02 C ATOM 768 CG ASP A 45 -6.456 -10.406 12.750 1.00 61.43 C ATOM 769 OD1 ASP A 45 -5.609 -11.305 12.648 1.00 63.25 O ATOM 770 OD2 ASP A 45 -7.294 -10.312 13.728 1.00 2.34 O ATOM 0 H ASP A 45 -5.868 -10.789 9.809 1.00 33.03 H new ATOM 0 HA ASP A 45 -8.419 -10.061 10.874 1.00 71.14 H new ATOM 0 HB2 ASP A 45 -5.576 -9.083 11.313 1.00 41.02 H new ATOM 0 HB3 ASP A 45 -6.946 -8.403 12.168 1.00 41.02 H new ATOM 776 N LYS A 46 -6.702 -7.962 8.970 1.00 54.04 N ATOM 777 CA LYS A 46 -6.789 -6.756 8.162 1.00 51.14 C ATOM 778 C LYS A 46 -5.842 -6.878 6.968 1.00 4.32 C ATOM 779 O LYS A 46 -4.930 -7.702 6.975 1.00 25.51 O ATOM 780 CB LYS A 46 -6.540 -5.517 9.023 1.00 35.22 C ATOM 781 CG LYS A 46 -5.073 -5.435 9.454 1.00 72.31 C ATOM 782 CD LYS A 46 -4.665 -6.677 10.249 1.00 10.44 C ATOM 783 CE LYS A 46 -3.592 -6.337 11.285 1.00 5.34 C ATOM 784 NZ LYS A 46 -4.217 -5.913 12.558 1.00 3.44 N ATOM 0 H LYS A 46 -5.809 -8.452 8.910 1.00 54.04 H new ATOM 0 HA LYS A 46 -7.795 -6.638 7.759 1.00 51.14 H new ATOM 0 HB2 LYS A 46 -6.809 -4.621 8.464 1.00 35.22 H new ATOM 0 HB3 LYS A 46 -7.181 -5.547 9.904 1.00 35.22 H new ATOM 0 HG2 LYS A 46 -4.437 -5.337 8.574 1.00 72.31 H new ATOM 0 HG3 LYS A 46 -4.918 -4.543 10.061 1.00 72.31 H new ATOM 0 HD2 LYS A 46 -5.538 -7.096 10.749 1.00 10.44 H new ATOM 0 HD3 LYS A 46 -4.289 -7.441 9.569 1.00 10.44 H new ATOM 0 HE2 LYS A 46 -2.956 -7.205 11.457 1.00 5.34 H new ATOM 0 HE3 LYS A 46 -2.950 -5.542 10.905 1.00 5.34 H new ATOM 0 HZ1 LYS A 46 -3.475 -5.686 13.250 1.00 3.44 H new ATOM 0 HZ2 LYS A 46 -4.805 -5.072 12.393 1.00 3.44 H new ATOM 0 HZ3 LYS A 46 -4.810 -6.683 12.927 1.00 3.44 H new ATOM 798 N ARG A 47 -6.090 -6.043 5.969 1.00 22.33 N ATOM 799 CA ARG A 47 -5.270 -6.046 4.769 1.00 73.31 C ATOM 800 C ARG A 47 -4.395 -4.792 4.722 1.00 10.15 C ATOM 801 O ARG A 47 -4.834 -3.742 4.257 1.00 4.24 O ATOM 802 CB ARG A 47 -6.137 -6.103 3.511 1.00 1.04 C ATOM 803 CG ARG A 47 -7.230 -7.167 3.644 1.00 52.44 C ATOM 804 CD ARG A 47 -8.410 -6.860 2.721 1.00 32.42 C ATOM 805 NE ARG A 47 -9.646 -7.463 3.264 1.00 24.35 N ATOM 806 CZ ARG A 47 -9.872 -8.791 3.339 1.00 51.53 C ATOM 807 NH1 ARG A 47 -8.943 -9.669 2.906 1.00 63.21 N ATOM 808 NH2 ARG A 47 -11.015 -9.220 3.844 1.00 1.01 N ATOM 0 H ARG A 47 -6.847 -5.360 5.966 1.00 22.33 H new ATOM 0 HA ARG A 47 -4.637 -6.933 4.801 1.00 73.31 H new ATOM 0 HB2 ARG A 47 -6.593 -5.129 3.335 1.00 1.04 H new ATOM 0 HB3 ARG A 47 -5.513 -6.324 2.645 1.00 1.04 H new ATOM 0 HG2 ARG A 47 -6.820 -8.147 3.401 1.00 52.44 H new ATOM 0 HG3 ARG A 47 -7.574 -7.212 4.677 1.00 52.44 H new ATOM 0 HD2 ARG A 47 -8.534 -5.782 2.622 1.00 32.42 H new ATOM 0 HD3 ARG A 47 -8.213 -7.251 1.723 1.00 32.42 H new ATOM 0 HE ARG A 47 -10.374 -6.835 3.604 1.00 24.35 H new ATOM 0 HH11 ARG A 47 -8.062 -9.330 2.519 1.00 63.21 H new ATOM 0 HH12 ARG A 47 -9.121 -10.671 2.966 1.00 63.21 H new ATOM 0 HH21 ARG A 47 -11.712 -8.550 4.170 1.00 1.01 H new ATOM 0 HH22 ARG A 47 -11.201 -10.221 3.907 1.00 1.01 H new ATOM 822 N LYS A 48 -3.172 -4.943 5.209 1.00 32.22 N ATOM 823 CA LYS A 48 -2.231 -3.836 5.228 1.00 13.13 C ATOM 824 C LYS A 48 -0.831 -4.366 5.540 1.00 65.41 C ATOM 825 O LYS A 48 -0.554 -4.774 6.667 1.00 32.21 O ATOM 826 CB LYS A 48 -2.705 -2.747 6.192 1.00 2.52 C ATOM 827 CG LYS A 48 -1.565 -1.786 6.536 1.00 31.03 C ATOM 828 CD LYS A 48 -1.050 -1.075 5.284 1.00 5.15 C ATOM 829 CE LYS A 48 0.479 -1.040 5.263 1.00 62.34 C ATOM 830 NZ LYS A 48 0.963 -0.058 4.265 1.00 61.43 N ATOM 0 H LYS A 48 -2.811 -5.816 5.594 1.00 32.22 H new ATOM 0 HA LYS A 48 -2.181 -3.363 4.247 1.00 13.13 H new ATOM 0 HB2 LYS A 48 -3.530 -2.193 5.744 1.00 2.52 H new ATOM 0 HB3 LYS A 48 -3.087 -3.205 7.104 1.00 2.52 H new ATOM 0 HG2 LYS A 48 -1.912 -1.049 7.260 1.00 31.03 H new ATOM 0 HG3 LYS A 48 -0.750 -2.336 7.007 1.00 31.03 H new ATOM 0 HD2 LYS A 48 -1.418 -1.586 4.394 1.00 5.15 H new ATOM 0 HD3 LYS A 48 -1.441 -0.058 5.252 1.00 5.15 H new ATOM 0 HE2 LYS A 48 0.856 -0.778 6.252 1.00 62.34 H new ATOM 0 HE3 LYS A 48 0.868 -2.030 5.025 1.00 62.34 H new ATOM 0 HZ1 LYS A 48 1.517 -0.549 3.535 1.00 61.43 H new ATOM 0 HZ2 LYS A 48 0.150 0.416 3.822 1.00 61.43 H new ATOM 0 HZ3 LYS A 48 1.562 0.650 4.736 1.00 61.43 H new ATOM 844 N TYR A 49 0.016 -4.347 4.520 1.00 55.14 N ATOM 845 CA TYR A 49 1.380 -4.821 4.672 1.00 61.12 C ATOM 846 C TYR A 49 2.358 -3.936 3.898 1.00 45.23 C ATOM 847 O TYR A 49 2.327 -3.896 2.669 1.00 72.34 O ATOM 848 CB TYR A 49 1.405 -6.230 4.076 1.00 0.44 C ATOM 849 CG TYR A 49 0.807 -7.303 4.988 1.00 32.21 C ATOM 850 CD1 TYR A 49 -0.556 -7.525 4.989 1.00 4.35 C ATOM 851 CD2 TYR A 49 1.628 -8.047 5.810 1.00 44.50 C ATOM 852 CE1 TYR A 49 -1.120 -8.535 5.848 1.00 40.03 C ATOM 853 CE2 TYR A 49 1.065 -9.056 6.668 1.00 10.22 C ATOM 854 CZ TYR A 49 -0.282 -9.250 6.644 1.00 11.31 C ATOM 855 OH TYR A 49 -0.815 -10.203 7.455 1.00 30.03 O ATOM 0 H TYR A 49 -0.217 -4.011 3.586 1.00 55.14 H new ATOM 0 HA TYR A 49 1.677 -4.805 5.721 1.00 61.12 H new ATOM 0 HB2 TYR A 49 0.859 -6.224 3.133 1.00 0.44 H new ATOM 0 HB3 TYR A 49 2.436 -6.497 3.845 1.00 0.44 H new ATOM 0 HD1 TYR A 49 -1.199 -6.942 4.346 1.00 4.35 H new ATOM 0 HD2 TYR A 49 2.694 -7.872 5.810 1.00 44.50 H new ATOM 0 HE1 TYR A 49 -2.184 -8.720 5.859 1.00 40.03 H new ATOM 0 HE2 TYR A 49 1.697 -9.646 7.316 1.00 10.22 H new ATOM 0 HH TYR A 49 -0.434 -11.077 7.227 1.00 30.03 H new ATOM 865 N LEU A 50 3.204 -3.245 4.647 1.00 74.33 N ATOM 866 CA LEU A 50 4.188 -2.363 4.048 1.00 43.30 C ATOM 867 C LEU A 50 5.548 -3.064 4.024 1.00 30.44 C ATOM 868 O LEU A 50 6.411 -2.781 4.853 1.00 14.21 O ATOM 869 CB LEU A 50 4.206 -1.011 4.766 1.00 73.54 C ATOM 870 CG LEU A 50 5.360 -0.074 4.403 1.00 22.24 C ATOM 871 CD1 LEU A 50 5.352 0.255 2.909 1.00 24.21 C ATOM 872 CD2 LEU A 50 5.332 1.190 5.267 1.00 4.24 C ATOM 0 H LEU A 50 3.227 -3.279 5.666 1.00 74.33 H new ATOM 0 HA LEU A 50 3.923 -2.145 3.014 1.00 43.30 H new ATOM 0 HB2 LEU A 50 3.268 -0.498 4.556 1.00 73.54 H new ATOM 0 HB3 LEU A 50 4.236 -1.193 5.840 1.00 73.54 H new ATOM 0 HG LEU A 50 6.297 -0.590 4.614 1.00 22.24 H new ATOM 0 HD11 LEU A 50 6.183 0.922 2.679 1.00 24.21 H new ATOM 0 HD12 LEU A 50 5.455 -0.665 2.333 1.00 24.21 H new ATOM 0 HD13 LEU A 50 4.412 0.742 2.649 1.00 24.21 H new ATOM 0 HD21 LEU A 50 6.162 1.839 4.989 1.00 4.24 H new ATOM 0 HD22 LEU A 50 4.391 1.717 5.110 1.00 4.24 H new ATOM 0 HD23 LEU A 50 5.423 0.915 6.318 1.00 4.24 H new ATOM 884 N VAL A 51 5.698 -3.962 3.063 1.00 34.04 N ATOM 885 CA VAL A 51 6.938 -4.707 2.920 1.00 63.40 C ATOM 886 C VAL A 51 8.023 -3.780 2.369 1.00 40.31 C ATOM 887 O VAL A 51 7.721 -2.808 1.677 1.00 53.13 O ATOM 888 CB VAL A 51 6.709 -5.944 2.049 1.00 5.34 C ATOM 889 CG1 VAL A 51 5.839 -6.972 2.774 1.00 22.24 C ATOM 890 CG2 VAL A 51 6.095 -5.558 0.701 1.00 42.33 C ATOM 0 H VAL A 51 4.981 -4.191 2.375 1.00 34.04 H new ATOM 0 HA VAL A 51 7.280 -5.069 3.890 1.00 63.40 H new ATOM 0 HB VAL A 51 7.679 -6.403 1.857 1.00 5.34 H new ATOM 0 HG11 VAL A 51 5.692 -7.841 2.133 1.00 22.24 H new ATOM 0 HG12 VAL A 51 6.332 -7.281 3.696 1.00 22.24 H new ATOM 0 HG13 VAL A 51 4.872 -6.528 3.011 1.00 22.24 H new ATOM 0 HG21 VAL A 51 5.942 -6.455 0.101 1.00 42.33 H new ATOM 0 HG22 VAL A 51 5.137 -5.064 0.865 1.00 42.33 H new ATOM 0 HG23 VAL A 51 6.768 -4.880 0.176 1.00 42.33 H new ATOM 900 N PRO A 52 9.296 -4.121 2.704 1.00 31.35 N ATOM 901 CA PRO A 52 10.428 -3.331 2.251 1.00 52.22 C ATOM 902 C PRO A 52 10.714 -3.582 0.769 1.00 45.42 C ATOM 903 O PRO A 52 10.039 -4.390 0.131 1.00 24.12 O ATOM 904 CB PRO A 52 11.579 -3.736 3.155 1.00 72.44 C ATOM 905 CG PRO A 52 11.176 -5.067 3.771 1.00 72.05 C ATOM 906 CD PRO A 52 9.690 -5.265 3.521 1.00 62.34 C ATOM 0 HA PRO A 52 10.246 -2.258 2.319 1.00 52.22 H new ATOM 0 HB2 PRO A 52 12.505 -3.832 2.589 1.00 72.44 H new ATOM 0 HB3 PRO A 52 11.753 -2.985 3.926 1.00 72.44 H new ATOM 0 HG2 PRO A 52 11.749 -5.882 3.329 1.00 72.05 H new ATOM 0 HG3 PRO A 52 11.387 -5.072 4.840 1.00 72.05 H new ATOM 0 HD2 PRO A 52 9.497 -6.205 3.005 1.00 62.34 H new ATOM 0 HD3 PRO A 52 9.132 -5.295 4.457 1.00 62.34 H new ATOM 914 N ALA A 53 11.714 -2.876 0.264 1.00 53.20 N ATOM 915 CA ALA A 53 12.098 -3.013 -1.132 1.00 13.10 C ATOM 916 C ALA A 53 13.167 -4.100 -1.258 1.00 64.41 C ATOM 917 O ALA A 53 13.881 -4.160 -2.258 1.00 65.24 O ATOM 918 CB ALA A 53 12.575 -1.661 -1.665 1.00 72.45 C ATOM 0 H ALA A 53 12.271 -2.207 0.796 1.00 53.20 H new ATOM 0 HA ALA A 53 11.244 -3.319 -1.737 1.00 13.10 H new ATOM 0 HB1 ALA A 53 12.863 -1.763 -2.711 1.00 72.45 H new ATOM 0 HB2 ALA A 53 11.769 -0.932 -1.580 1.00 72.45 H new ATOM 0 HB3 ALA A 53 13.433 -1.323 -1.084 1.00 72.45 H new ATOM 924 N ASP A 54 13.244 -4.932 -0.229 1.00 11.31 N ATOM 925 CA ASP A 54 14.215 -6.012 -0.212 1.00 24.43 C ATOM 926 C ASP A 54 13.480 -7.350 -0.090 1.00 24.43 C ATOM 927 O ASP A 54 13.870 -8.335 -0.714 1.00 72.41 O ATOM 928 CB ASP A 54 15.163 -5.883 0.982 1.00 32.13 C ATOM 929 CG ASP A 54 15.553 -4.448 1.345 1.00 4.14 C ATOM 930 OD1 ASP A 54 15.009 -3.481 0.793 1.00 20.21 O ATOM 931 OD2 ASP A 54 16.468 -4.345 2.247 1.00 61.44 O ATOM 0 H ASP A 54 12.650 -4.879 0.598 1.00 11.31 H new ATOM 0 HA ASP A 54 14.791 -5.962 -1.136 1.00 24.43 H new ATOM 0 HB2 ASP A 54 14.695 -6.347 1.850 1.00 32.13 H new ATOM 0 HB3 ASP A 54 16.071 -6.448 0.769 1.00 32.13 H new ATOM 937 N LEU A 55 12.432 -7.341 0.719 1.00 53.33 N ATOM 938 CA LEU A 55 11.638 -8.540 0.932 1.00 33.10 C ATOM 939 C LEU A 55 11.064 -9.009 -0.406 1.00 55.22 C ATOM 940 O LEU A 55 10.519 -8.209 -1.166 1.00 73.35 O ATOM 941 CB LEU A 55 10.578 -8.297 2.007 1.00 22.25 C ATOM 942 CG LEU A 55 10.095 -9.536 2.764 1.00 42.04 C ATOM 943 CD1 LEU A 55 10.701 -9.593 4.167 1.00 33.21 C ATOM 944 CD2 LEU A 55 8.565 -9.596 2.797 1.00 41.11 C ATOM 0 H LEU A 55 12.113 -6.522 1.236 1.00 53.33 H new ATOM 0 HA LEU A 55 12.262 -9.349 1.312 1.00 33.10 H new ATOM 0 HB2 LEU A 55 10.979 -7.587 2.730 1.00 22.25 H new ATOM 0 HB3 LEU A 55 9.716 -7.823 1.538 1.00 22.25 H new ATOM 0 HG LEU A 55 10.441 -10.420 2.228 1.00 42.04 H new ATOM 0 HD11 LEU A 55 10.341 -10.483 4.683 1.00 33.21 H new ATOM 0 HD12 LEU A 55 11.788 -9.631 4.093 1.00 33.21 H new ATOM 0 HD13 LEU A 55 10.407 -8.705 4.727 1.00 33.21 H new ATOM 0 HD21 LEU A 55 8.247 -10.486 3.341 1.00 41.11 H new ATOM 0 HD22 LEU A 55 8.177 -8.708 3.296 1.00 41.11 H new ATOM 0 HD23 LEU A 55 8.180 -9.637 1.778 1.00 41.11 H new ATOM 956 N THR A 56 11.202 -10.303 -0.653 1.00 33.54 N ATOM 957 CA THR A 56 10.704 -10.887 -1.886 1.00 20.24 C ATOM 958 C THR A 56 9.275 -11.399 -1.692 1.00 22.22 C ATOM 959 O THR A 56 8.669 -11.179 -0.644 1.00 33.44 O ATOM 960 CB THR A 56 11.685 -11.977 -2.323 1.00 3.12 C ATOM 961 OG1 THR A 56 11.297 -13.119 -1.566 1.00 4.55 O ATOM 962 CG2 THR A 56 13.116 -11.694 -1.865 1.00 24.15 C ATOM 0 H THR A 56 11.652 -10.964 -0.020 1.00 33.54 H new ATOM 0 HA THR A 56 10.646 -10.144 -2.681 1.00 20.24 H new ATOM 0 HB THR A 56 11.663 -12.070 -3.409 1.00 3.12 H new ATOM 0 HG1 THR A 56 11.086 -13.858 -2.174 1.00 4.55 H new ATOM 0 HG21 THR A 56 13.771 -12.498 -2.201 1.00 24.15 H new ATOM 0 HG22 THR A 56 13.454 -10.749 -2.290 1.00 24.15 H new ATOM 0 HG23 THR A 56 13.145 -11.634 -0.777 1.00 24.15 H new ATOM 970 N VAL A 57 8.778 -12.072 -2.719 1.00 60.44 N ATOM 971 CA VAL A 57 7.431 -12.617 -2.676 1.00 24.01 C ATOM 972 C VAL A 57 7.413 -13.848 -1.767 1.00 24.23 C ATOM 973 O VAL A 57 6.489 -14.027 -0.976 1.00 23.23 O ATOM 974 CB VAL A 57 6.940 -12.913 -4.094 1.00 35.30 C ATOM 975 CG1 VAL A 57 5.871 -14.007 -4.087 1.00 34.23 C ATOM 976 CG2 VAL A 57 6.420 -11.642 -4.771 1.00 3.30 C ATOM 0 H VAL A 57 9.284 -12.253 -3.586 1.00 60.44 H new ATOM 0 HA VAL A 57 6.738 -11.890 -2.253 1.00 24.01 H new ATOM 0 HB VAL A 57 7.789 -13.278 -4.673 1.00 35.30 H new ATOM 0 HG11 VAL A 57 5.539 -14.198 -5.108 1.00 34.23 H new ATOM 0 HG12 VAL A 57 6.288 -14.921 -3.664 1.00 34.23 H new ATOM 0 HG13 VAL A 57 5.023 -13.683 -3.484 1.00 34.23 H new ATOM 0 HG21 VAL A 57 6.077 -11.880 -5.778 1.00 3.30 H new ATOM 0 HG22 VAL A 57 5.591 -11.235 -4.192 1.00 3.30 H new ATOM 0 HG23 VAL A 57 7.221 -10.905 -4.826 1.00 3.30 H new ATOM 986 N GLY A 58 8.445 -14.667 -1.914 1.00 11.12 N ATOM 987 CA GLY A 58 8.559 -15.876 -1.116 1.00 42.23 C ATOM 988 C GLY A 58 8.942 -15.547 0.328 1.00 73.23 C ATOM 989 O GLY A 58 8.984 -16.433 1.179 1.00 60.02 O ATOM 0 H GLY A 58 9.209 -14.517 -2.573 1.00 11.12 H new ATOM 0 HA2 GLY A 58 7.612 -16.416 -1.131 1.00 42.23 H new ATOM 0 HA3 GLY A 58 9.309 -16.535 -1.553 1.00 42.23 H new ATOM 993 N GLN A 59 9.213 -14.271 0.558 1.00 64.11 N ATOM 994 CA GLN A 59 9.592 -13.814 1.885 1.00 61.51 C ATOM 995 C GLN A 59 8.380 -13.222 2.608 1.00 64.21 C ATOM 996 O GLN A 59 8.342 -13.188 3.837 1.00 44.31 O ATOM 997 CB GLN A 59 10.735 -12.801 1.810 1.00 30.41 C ATOM 998 CG GLN A 59 12.052 -13.485 1.436 1.00 65.32 C ATOM 999 CD GLN A 59 12.836 -13.886 2.687 1.00 74.31 C ATOM 1000 OE1 GLN A 59 12.916 -15.046 3.057 1.00 74.53 O ATOM 1001 NE2 GLN A 59 13.407 -12.863 3.318 1.00 1.14 N ATOM 0 H GLN A 59 9.178 -13.539 -0.152 1.00 64.11 H new ATOM 0 HA GLN A 59 9.948 -14.671 2.456 1.00 61.51 H new ATOM 0 HB2 GLN A 59 10.498 -12.034 1.073 1.00 30.41 H new ATOM 0 HB3 GLN A 59 10.843 -12.298 2.771 1.00 30.41 H new ATOM 0 HG2 GLN A 59 11.848 -14.369 0.831 1.00 65.32 H new ATOM 0 HG3 GLN A 59 12.654 -12.813 0.825 1.00 65.32 H new ATOM 0 HE21 GLN A 59 13.301 -11.916 2.954 1.00 1.14 H new ATOM 0 HE22 GLN A 59 13.951 -13.026 4.165 1.00 1.14 H new ATOM 1010 N PHE A 60 7.422 -12.768 1.815 1.00 0.21 N ATOM 1011 CA PHE A 60 6.211 -12.178 2.363 1.00 52.15 C ATOM 1012 C PHE A 60 5.236 -13.260 2.830 1.00 43.15 C ATOM 1013 O PHE A 60 4.603 -13.122 3.875 1.00 50.40 O ATOM 1014 CB PHE A 60 5.560 -11.370 1.241 1.00 50.40 C ATOM 1015 CG PHE A 60 4.280 -10.643 1.660 1.00 73.03 C ATOM 1016 CD1 PHE A 60 3.988 -10.487 2.979 1.00 61.34 C ATOM 1017 CD2 PHE A 60 3.436 -10.152 0.714 1.00 51.21 C ATOM 1018 CE1 PHE A 60 2.801 -9.812 3.369 1.00 62.21 C ATOM 1019 CE2 PHE A 60 2.248 -9.477 1.103 1.00 1.22 C ATOM 1020 CZ PHE A 60 1.955 -9.321 2.423 1.00 23.01 C ATOM 0 H PHE A 60 7.459 -12.796 0.796 1.00 0.21 H new ATOM 0 HA PHE A 60 6.457 -11.555 3.223 1.00 52.15 H new ATOM 0 HB2 PHE A 60 6.277 -10.637 0.871 1.00 50.40 H new ATOM 0 HB3 PHE A 60 5.331 -12.039 0.411 1.00 50.40 H new ATOM 0 HD1 PHE A 60 4.659 -10.877 3.730 1.00 61.34 H new ATOM 0 HD2 PHE A 60 3.669 -10.275 -0.333 1.00 51.21 H new ATOM 0 HE1 PHE A 60 2.570 -9.688 4.417 1.00 62.21 H new ATOM 0 HE2 PHE A 60 1.577 -9.088 0.351 1.00 1.22 H new ATOM 0 HZ PHE A 60 1.052 -8.808 2.719 1.00 23.01 H new ATOM 1030 N VAL A 61 5.148 -14.315 2.033 1.00 32.35 N ATOM 1031 CA VAL A 61 4.261 -15.421 2.351 1.00 5.44 C ATOM 1032 C VAL A 61 4.562 -15.921 3.766 1.00 71.34 C ATOM 1033 O VAL A 61 3.668 -16.393 4.465 1.00 5.54 O ATOM 1034 CB VAL A 61 4.389 -16.517 1.291 1.00 43.14 C ATOM 1035 CG1 VAL A 61 3.505 -17.717 1.633 1.00 42.22 C ATOM 1036 CG2 VAL A 61 4.061 -15.974 -0.101 1.00 73.01 C ATOM 0 H VAL A 61 5.676 -14.427 1.168 1.00 32.35 H new ATOM 0 HA VAL A 61 3.222 -15.092 2.336 1.00 5.44 H new ATOM 0 HB VAL A 61 5.425 -16.856 1.283 1.00 43.14 H new ATOM 0 HG11 VAL A 61 3.615 -18.481 0.863 1.00 42.22 H new ATOM 0 HG12 VAL A 61 3.805 -18.127 2.597 1.00 42.22 H new ATOM 0 HG13 VAL A 61 2.463 -17.399 1.682 1.00 42.22 H new ATOM 0 HG21 VAL A 61 4.160 -16.773 -0.836 1.00 73.01 H new ATOM 0 HG22 VAL A 61 3.039 -15.595 -0.112 1.00 73.01 H new ATOM 0 HG23 VAL A 61 4.750 -15.167 -0.348 1.00 73.01 H new ATOM 1046 N TYR A 62 5.827 -15.799 4.145 1.00 14.20 N ATOM 1047 CA TYR A 62 6.257 -16.231 5.463 1.00 74.54 C ATOM 1048 C TYR A 62 5.494 -15.488 6.561 1.00 34.14 C ATOM 1049 O TYR A 62 5.264 -16.032 7.641 1.00 35.32 O ATOM 1050 CB TYR A 62 7.742 -15.876 5.561 1.00 44.14 C ATOM 1051 CG TYR A 62 8.181 -15.411 6.950 1.00 45.10 C ATOM 1052 CD1 TYR A 62 7.809 -16.130 8.068 1.00 22.21 C ATOM 1053 CD2 TYR A 62 8.949 -14.272 7.085 1.00 62.34 C ATOM 1054 CE1 TYR A 62 8.223 -15.692 9.375 1.00 24.10 C ATOM 1055 CE2 TYR A 62 9.362 -13.834 8.394 1.00 24.35 C ATOM 1056 CZ TYR A 62 8.979 -14.565 9.474 1.00 2.21 C ATOM 1057 OH TYR A 62 9.370 -14.152 10.710 1.00 63.13 O ATOM 0 H TYR A 62 6.567 -15.407 3.562 1.00 14.20 H new ATOM 0 HA TYR A 62 6.073 -17.297 5.595 1.00 74.54 H new ATOM 0 HB2 TYR A 62 8.333 -16.747 5.278 1.00 44.14 H new ATOM 0 HB3 TYR A 62 7.966 -15.091 4.839 1.00 44.14 H new ATOM 0 HD1 TYR A 62 7.208 -17.021 7.962 1.00 22.21 H new ATOM 0 HD2 TYR A 62 9.240 -13.710 6.210 1.00 62.34 H new ATOM 0 HE1 TYR A 62 7.940 -16.246 10.258 1.00 24.10 H new ATOM 0 HE2 TYR A 62 9.963 -12.945 8.514 1.00 24.35 H new ATOM 0 HH TYR A 62 9.905 -13.335 10.628 1.00 63.13 H new ATOM 1067 N VAL A 63 5.122 -14.256 6.247 1.00 52.24 N ATOM 1068 CA VAL A 63 4.389 -13.432 7.195 1.00 35.03 C ATOM 1069 C VAL A 63 2.899 -13.764 7.107 1.00 4.02 C ATOM 1070 O VAL A 63 2.238 -13.940 8.129 1.00 23.34 O ATOM 1071 CB VAL A 63 4.687 -11.952 6.941 1.00 11.21 C ATOM 1072 CG1 VAL A 63 3.634 -11.059 7.600 1.00 65.32 C ATOM 1073 CG2 VAL A 63 6.095 -11.587 7.420 1.00 44.31 C ATOM 0 H VAL A 63 5.314 -13.808 5.351 1.00 52.24 H new ATOM 0 HA VAL A 63 4.710 -13.645 8.215 1.00 35.03 H new ATOM 0 HB VAL A 63 4.644 -11.781 5.865 1.00 11.21 H new ATOM 0 HG11 VAL A 63 3.870 -10.013 7.404 1.00 65.32 H new ATOM 0 HG12 VAL A 63 2.651 -11.292 7.191 1.00 65.32 H new ATOM 0 HG13 VAL A 63 3.630 -11.234 8.676 1.00 65.32 H new ATOM 0 HG21 VAL A 63 6.282 -10.530 7.228 1.00 44.31 H new ATOM 0 HG22 VAL A 63 6.177 -11.782 8.489 1.00 44.31 H new ATOM 0 HG23 VAL A 63 6.829 -12.189 6.884 1.00 44.31 H new ATOM 1083 N ILE A 64 2.413 -13.841 5.877 1.00 25.51 N ATOM 1084 CA ILE A 64 1.012 -14.149 5.643 1.00 30.30 C ATOM 1085 C ILE A 64 0.694 -15.525 6.229 1.00 3.31 C ATOM 1086 O ILE A 64 -0.432 -15.776 6.658 1.00 53.34 O ATOM 1087 CB ILE A 64 0.678 -14.022 4.154 1.00 74.05 C ATOM 1088 CG1 ILE A 64 1.219 -12.712 3.581 1.00 52.44 C ATOM 1089 CG2 ILE A 64 -0.825 -14.174 3.917 1.00 22.42 C ATOM 1090 CD1 ILE A 64 0.845 -11.526 4.472 1.00 35.01 C ATOM 0 H ILE A 64 2.964 -13.695 5.031 1.00 25.51 H new ATOM 0 HA ILE A 64 0.372 -13.429 6.153 1.00 30.30 H new ATOM 0 HB ILE A 64 1.173 -14.834 3.621 1.00 74.05 H new ATOM 0 HG12 ILE A 64 2.303 -12.773 3.487 1.00 52.44 H new ATOM 0 HG13 ILE A 64 0.820 -12.558 2.578 1.00 52.44 H new ATOM 0 HG21 ILE A 64 -1.037 -14.080 2.852 1.00 22.42 H new ATOM 0 HG22 ILE A 64 -1.151 -15.153 4.267 1.00 22.42 H new ATOM 0 HG23 ILE A 64 -1.360 -13.397 4.463 1.00 22.42 H new ATOM 0 HD11 ILE A 64 1.243 -10.607 4.041 1.00 35.01 H new ATOM 0 HD12 ILE A 64 -0.240 -11.453 4.544 1.00 35.01 H new ATOM 0 HD13 ILE A 64 1.266 -11.671 5.467 1.00 35.01 H new ATOM 1102 N ARG A 65 1.704 -16.383 6.230 1.00 63.25 N ATOM 1103 CA ARG A 65 1.545 -17.727 6.758 1.00 61.31 C ATOM 1104 C ARG A 65 1.725 -17.726 8.277 1.00 12.01 C ATOM 1105 O ARG A 65 1.567 -18.759 8.925 1.00 41.52 O ATOM 1106 CB ARG A 65 2.557 -18.687 6.132 1.00 31.34 C ATOM 1107 CG ARG A 65 2.100 -20.140 6.282 1.00 61.42 C ATOM 1108 CD ARG A 65 1.341 -20.608 5.038 1.00 12.15 C ATOM 1109 NE ARG A 65 2.225 -20.542 3.853 1.00 42.22 N ATOM 1110 CZ ARG A 65 3.007 -21.559 3.434 1.00 13.14 C ATOM 1111 NH1 ARG A 65 3.022 -22.731 4.103 1.00 33.44 N ATOM 1112 NH2 ARG A 65 3.756 -21.391 2.361 1.00 34.13 N ATOM 0 H ARG A 65 2.636 -16.173 5.873 1.00 63.25 H new ATOM 0 HA ARG A 65 0.539 -18.064 6.509 1.00 61.31 H new ATOM 0 HB2 ARG A 65 2.684 -18.449 5.076 1.00 31.34 H new ATOM 0 HB3 ARG A 65 3.529 -18.557 6.607 1.00 31.34 H new ATOM 0 HG2 ARG A 65 2.965 -20.782 6.447 1.00 61.42 H new ATOM 0 HG3 ARG A 65 1.461 -20.235 7.160 1.00 61.42 H new ATOM 0 HD2 ARG A 65 0.986 -21.629 5.181 1.00 12.15 H new ATOM 0 HD3 ARG A 65 0.462 -19.983 4.882 1.00 12.15 H new ATOM 0 HE ARG A 65 2.244 -19.673 3.319 1.00 42.22 H new ATOM 0 HH11 ARG A 65 2.440 -22.853 4.931 1.00 33.44 H new ATOM 0 HH12 ARG A 65 3.616 -23.495 3.780 1.00 33.44 H new ATOM 0 HH21 ARG A 65 3.739 -20.502 1.861 1.00 34.13 H new ATOM 0 HH22 ARG A 65 4.353 -22.150 2.032 1.00 34.13 H new ATOM 1126 N LYS A 66 2.054 -16.553 8.801 1.00 55.44 N ATOM 1127 CA LYS A 66 2.257 -16.405 10.232 1.00 1.33 C ATOM 1128 C LYS A 66 0.949 -15.953 10.885 1.00 70.51 C ATOM 1129 O LYS A 66 0.516 -16.530 11.881 1.00 24.42 O ATOM 1130 CB LYS A 66 3.439 -15.473 10.511 1.00 12.24 C ATOM 1131 CG LYS A 66 4.726 -16.270 10.728 1.00 14.13 C ATOM 1132 CD LYS A 66 5.797 -15.409 11.400 1.00 31.51 C ATOM 1133 CE LYS A 66 6.696 -16.257 12.303 1.00 71.45 C ATOM 1134 NZ LYS A 66 6.693 -17.669 11.858 1.00 62.23 N ATOM 0 H LYS A 66 2.185 -15.698 8.260 1.00 55.44 H new ATOM 0 HA LYS A 66 2.522 -17.362 10.681 1.00 1.33 H new ATOM 0 HB2 LYS A 66 3.569 -14.785 9.676 1.00 12.24 H new ATOM 0 HB3 LYS A 66 3.229 -14.867 11.393 1.00 12.24 H new ATOM 0 HG2 LYS A 66 4.517 -17.144 11.345 1.00 14.13 H new ATOM 0 HG3 LYS A 66 5.097 -16.637 9.771 1.00 14.13 H new ATOM 0 HD2 LYS A 66 6.402 -14.915 10.639 1.00 31.51 H new ATOM 0 HD3 LYS A 66 5.321 -14.624 11.988 1.00 31.51 H new ATOM 0 HE2 LYS A 66 7.713 -15.866 12.284 1.00 71.45 H new ATOM 0 HE3 LYS A 66 6.349 -16.194 13.334 1.00 71.45 H new ATOM 0 HZ1 LYS A 66 7.565 -18.136 12.179 1.00 62.23 H new ATOM 0 HZ2 LYS A 66 5.869 -18.158 12.262 1.00 62.23 H new ATOM 0 HZ3 LYS A 66 6.643 -17.706 10.820 1.00 62.23 H new ATOM 1148 N ARG A 67 0.357 -14.923 10.296 1.00 1.25 N ATOM 1149 CA ARG A 67 -0.891 -14.387 10.808 1.00 11.04 C ATOM 1150 C ARG A 67 -1.904 -15.513 11.027 1.00 10.11 C ATOM 1151 O ARG A 67 -2.280 -15.802 12.162 1.00 74.15 O ATOM 1152 CB ARG A 67 -1.486 -13.358 9.844 1.00 53.20 C ATOM 1153 CG ARG A 67 -1.027 -11.941 10.202 1.00 23.03 C ATOM 1154 CD ARG A 67 -2.018 -11.271 11.157 1.00 34.01 C ATOM 1155 NE ARG A 67 -1.609 -11.510 12.559 1.00 70.52 N ATOM 1156 CZ ARG A 67 -0.757 -10.718 13.245 1.00 73.13 C ATOM 1157 NH1 ARG A 67 -0.216 -9.627 12.661 1.00 21.20 N ATOM 1158 NH2 ARG A 67 -0.461 -11.027 14.493 1.00 2.44 N ATOM 0 H ARG A 67 0.719 -14.447 9.470 1.00 1.25 H new ATOM 0 HA ARG A 67 -0.675 -13.898 11.758 1.00 11.04 H new ATOM 0 HB2 ARG A 67 -1.186 -13.594 8.823 1.00 53.20 H new ATOM 0 HB3 ARG A 67 -2.574 -13.411 9.876 1.00 53.20 H new ATOM 0 HG2 ARG A 67 -0.040 -11.980 10.664 1.00 23.03 H new ATOM 0 HG3 ARG A 67 -0.931 -11.345 9.294 1.00 23.03 H new ATOM 0 HD2 ARG A 67 -2.059 -10.200 10.959 1.00 34.01 H new ATOM 0 HD3 ARG A 67 -3.020 -11.665 10.990 1.00 34.01 H new ATOM 0 HE ARG A 67 -1.995 -12.324 13.037 1.00 70.52 H new ATOM 0 HH11 ARG A 67 -0.450 -9.396 11.695 1.00 21.20 H new ATOM 0 HH12 ARG A 67 0.427 -9.034 13.186 1.00 21.20 H new ATOM 0 HH21 ARG A 67 -0.874 -11.853 14.925 1.00 2.44 H new ATOM 0 HH22 ARG A 67 0.181 -10.440 15.025 1.00 2.44 H new ATOM 1172 N ILE A 68 -2.314 -16.119 9.923 1.00 74.21 N ATOM 1173 CA ILE A 68 -3.276 -17.207 9.979 1.00 51.02 C ATOM 1174 C ILE A 68 -2.586 -18.463 10.518 1.00 1.12 C ATOM 1175 O ILE A 68 -3.232 -19.489 10.728 1.00 65.40 O ATOM 1176 CB ILE A 68 -3.939 -17.408 8.617 1.00 43.40 C ATOM 1177 CG1 ILE A 68 -2.900 -17.395 7.492 1.00 54.02 C ATOM 1178 CG2 ILE A 68 -5.043 -16.375 8.387 1.00 43.10 C ATOM 1179 CD1 ILE A 68 -3.425 -18.120 6.252 1.00 64.50 C ATOM 0 H ILE A 68 -1.998 -15.877 8.984 1.00 74.21 H new ATOM 0 HA ILE A 68 -4.085 -16.965 10.668 1.00 51.02 H new ATOM 0 HB ILE A 68 -4.410 -18.391 8.609 1.00 43.40 H new ATOM 0 HG12 ILE A 68 -2.648 -16.366 7.236 1.00 54.02 H new ATOM 0 HG13 ILE A 68 -1.982 -17.872 7.835 1.00 54.02 H new ATOM 0 HG21 ILE A 68 -5.498 -16.540 7.411 1.00 43.10 H new ATOM 0 HG22 ILE A 68 -5.802 -16.475 9.163 1.00 43.10 H new ATOM 0 HG23 ILE A 68 -4.617 -15.373 8.423 1.00 43.10 H new ATOM 0 HD11 ILE A 68 -2.668 -18.096 5.469 1.00 64.50 H new ATOM 0 HD12 ILE A 68 -3.653 -19.156 6.505 1.00 64.50 H new ATOM 0 HD13 ILE A 68 -4.330 -17.626 5.897 1.00 64.50 H new ATOM 1191 N MET A 69 -1.283 -18.340 10.726 1.00 12.12 N ATOM 1192 CA MET A 69 -0.498 -19.452 11.237 1.00 64.34 C ATOM 1193 C MET A 69 -0.890 -20.762 10.546 1.00 52.33 C ATOM 1194 O MET A 69 -1.042 -21.791 11.202 1.00 32.01 O ATOM 1195 CB MET A 69 -0.722 -19.584 12.745 1.00 12.53 C ATOM 1196 CG MET A 69 -2.184 -19.906 13.056 1.00 10.21 C ATOM 1197 SD MET A 69 -2.355 -20.373 14.771 1.00 12.40 S ATOM 1198 CE MET A 69 -3.883 -19.544 15.169 1.00 45.12 C ATOM 0 H MET A 69 -0.751 -17.488 10.550 1.00 12.12 H new ATOM 0 HA MET A 69 0.554 -19.255 11.033 1.00 64.34 H new ATOM 0 HB2 MET A 69 -0.080 -20.369 13.144 1.00 12.53 H new ATOM 0 HB3 MET A 69 -0.437 -18.656 13.241 1.00 12.53 H new ATOM 0 HG2 MET A 69 -2.809 -19.039 12.843 1.00 10.21 H new ATOM 0 HG3 MET A 69 -2.531 -20.715 12.414 1.00 10.21 H new ATOM 0 HE1 MET A 69 -4.138 -19.733 16.212 1.00 45.12 H new ATOM 0 HE2 MET A 69 -3.767 -18.472 15.012 1.00 45.12 H new ATOM 0 HE3 MET A 69 -4.679 -19.920 14.527 1.00 45.12 H new ATOM 1208 N LEU A 70 -1.039 -20.677 9.233 1.00 62.43 N ATOM 1209 CA LEU A 70 -1.408 -21.842 8.446 1.00 10.14 C ATOM 1210 C LEU A 70 -0.481 -23.005 8.800 1.00 2.25 C ATOM 1211 O LEU A 70 0.717 -22.810 9.002 1.00 31.43 O ATOM 1212 CB LEU A 70 -1.425 -21.499 6.955 1.00 61.22 C ATOM 1213 CG LEU A 70 -2.566 -22.110 6.139 1.00 11.33 C ATOM 1214 CD1 LEU A 70 -3.902 -21.961 6.869 1.00 30.12 C ATOM 1215 CD2 LEU A 70 -2.612 -21.514 4.730 1.00 2.24 C ATOM 0 H LEU A 70 -0.911 -19.821 8.694 1.00 62.43 H new ATOM 0 HA LEU A 70 -2.423 -22.159 8.687 1.00 10.14 H new ATOM 0 HB2 LEU A 70 -1.472 -20.415 6.852 1.00 61.22 H new ATOM 0 HB3 LEU A 70 -0.480 -21.820 6.518 1.00 61.22 H new ATOM 0 HG LEU A 70 -2.376 -23.178 6.031 1.00 11.33 H new ATOM 0 HD11 LEU A 70 -4.696 -22.403 6.268 1.00 30.12 H new ATOM 0 HD12 LEU A 70 -3.849 -22.470 7.832 1.00 30.12 H new ATOM 0 HD13 LEU A 70 -4.114 -20.904 7.028 1.00 30.12 H new ATOM 0 HD21 LEU A 70 -3.432 -21.965 4.171 1.00 2.24 H new ATOM 0 HD22 LEU A 70 -2.767 -20.437 4.795 1.00 2.24 H new ATOM 0 HD23 LEU A 70 -1.670 -21.715 4.219 1.00 2.24 H new ATOM 1227 N PRO A 71 -1.083 -24.224 8.864 1.00 43.24 N ATOM 1228 CA PRO A 71 -0.324 -25.419 9.189 1.00 13.55 C ATOM 1229 C PRO A 71 0.530 -25.866 8.001 1.00 75.31 C ATOM 1230 O PRO A 71 0.350 -25.380 6.885 1.00 21.12 O ATOM 1231 CB PRO A 71 -1.365 -26.448 9.594 1.00 61.24 C ATOM 1232 CG PRO A 71 -2.688 -25.945 9.038 1.00 24.13 C ATOM 1233 CD PRO A 71 -2.499 -24.493 8.630 1.00 33.31 C ATOM 0 HA PRO A 71 0.391 -25.257 9.996 1.00 13.55 H new ATOM 0 HB2 PRO A 71 -1.120 -27.431 9.191 1.00 61.24 H new ATOM 0 HB3 PRO A 71 -1.411 -26.551 10.678 1.00 61.24 H new ATOM 0 HG2 PRO A 71 -2.995 -26.545 8.182 1.00 24.13 H new ATOM 0 HG3 PRO A 71 -3.475 -26.032 9.787 1.00 24.13 H new ATOM 0 HD2 PRO A 71 -2.764 -24.338 7.584 1.00 33.31 H new ATOM 0 HD3 PRO A 71 -3.131 -23.830 9.221 1.00 33.31 H new ATOM 1241 N PRO A 72 1.463 -26.812 8.288 1.00 11.43 N ATOM 1242 CA PRO A 72 2.345 -27.331 7.255 1.00 73.31 C ATOM 1243 C PRO A 72 1.600 -28.297 6.333 1.00 14.34 C ATOM 1244 O PRO A 72 2.186 -28.851 5.405 1.00 14.13 O ATOM 1245 CB PRO A 72 3.487 -27.991 8.009 1.00 1.11 C ATOM 1246 CG PRO A 72 2.974 -28.226 9.421 1.00 12.50 C ATOM 1247 CD PRO A 72 1.705 -27.411 9.598 1.00 2.00 C ATOM 0 HA PRO A 72 2.721 -26.552 6.592 1.00 73.31 H new ATOM 0 HB2 PRO A 72 3.775 -28.930 7.537 1.00 1.11 H new ATOM 0 HB3 PRO A 72 4.371 -27.353 8.016 1.00 1.11 H new ATOM 0 HG2 PRO A 72 2.773 -29.285 9.583 1.00 12.50 H new ATOM 0 HG3 PRO A 72 3.724 -27.928 10.154 1.00 12.50 H new ATOM 0 HD2 PRO A 72 0.870 -28.040 9.906 1.00 2.00 H new ATOM 0 HD3 PRO A 72 1.829 -26.647 10.366 1.00 2.00 H new ATOM 1255 N GLU A 73 0.319 -28.470 6.622 1.00 4.32 N ATOM 1256 CA GLU A 73 -0.513 -29.361 5.829 1.00 33.04 C ATOM 1257 C GLU A 73 -1.313 -28.562 4.797 1.00 15.04 C ATOM 1258 O GLU A 73 -2.116 -29.126 4.057 1.00 75.11 O ATOM 1259 CB GLU A 73 -1.441 -30.184 6.723 1.00 51.24 C ATOM 1260 CG GLU A 73 -2.701 -29.393 7.083 1.00 33.54 C ATOM 1261 CD GLU A 73 -3.647 -30.232 7.945 1.00 53.33 C ATOM 1262 OE1 GLU A 73 -4.862 -29.980 7.957 1.00 25.23 O ATOM 1263 OE2 GLU A 73 -3.081 -31.174 8.619 1.00 11.00 O ATOM 0 H GLU A 73 -0.164 -28.009 7.393 1.00 4.32 H new ATOM 0 HA GLU A 73 0.137 -30.056 5.298 1.00 33.04 H new ATOM 0 HB2 GLU A 73 -1.720 -31.106 6.213 1.00 51.24 H new ATOM 0 HB3 GLU A 73 -0.915 -30.470 7.634 1.00 51.24 H new ATOM 0 HG2 GLU A 73 -2.424 -28.485 7.619 1.00 33.54 H new ATOM 0 HG3 GLU A 73 -3.212 -29.082 6.172 1.00 33.54 H new ATOM 1271 N LYS A 74 -1.064 -27.260 4.782 1.00 15.22 N ATOM 1272 CA LYS A 74 -1.750 -26.379 3.853 1.00 74.24 C ATOM 1273 C LYS A 74 -0.716 -25.594 3.042 1.00 4.24 C ATOM 1274 O LYS A 74 0.487 -25.780 3.219 1.00 22.52 O ATOM 1275 CB LYS A 74 -2.750 -25.491 4.596 1.00 43.43 C ATOM 1276 CG LYS A 74 -4.004 -26.280 4.979 1.00 13.23 C ATOM 1277 CD LYS A 74 -5.223 -25.783 4.199 1.00 31.31 C ATOM 1278 CE LYS A 74 -5.022 -25.963 2.694 1.00 43.12 C ATOM 1279 NZ LYS A 74 -5.060 -27.398 2.333 1.00 72.20 N ATOM 0 H LYS A 74 -0.397 -26.795 5.398 1.00 15.22 H new ATOM 0 HA LYS A 74 -2.339 -26.959 3.143 1.00 74.24 H new ATOM 0 HB2 LYS A 74 -2.284 -25.084 5.493 1.00 43.43 H new ATOM 0 HB3 LYS A 74 -3.026 -24.644 3.968 1.00 43.43 H new ATOM 0 HG2 LYS A 74 -3.847 -27.340 4.779 1.00 13.23 H new ATOM 0 HG3 LYS A 74 -4.187 -26.182 6.049 1.00 13.23 H new ATOM 0 HD2 LYS A 74 -6.111 -26.329 4.519 1.00 31.31 H new ATOM 0 HD3 LYS A 74 -5.398 -24.731 4.423 1.00 31.31 H new ATOM 0 HE2 LYS A 74 -5.799 -25.425 2.151 1.00 43.12 H new ATOM 0 HE3 LYS A 74 -4.067 -25.532 2.395 1.00 43.12 H new ATOM 0 HZ1 LYS A 74 -4.169 -27.662 1.866 1.00 72.20 H new ATOM 0 HZ2 LYS A 74 -5.182 -27.969 3.193 1.00 72.20 H new ATOM 0 HZ3 LYS A 74 -5.855 -27.572 1.686 1.00 72.20 H new ATOM 1293 N ALA A 75 -1.223 -24.736 2.171 1.00 2.43 N ATOM 1294 CA ALA A 75 -0.359 -23.923 1.331 1.00 13.52 C ATOM 1295 C ALA A 75 -0.941 -22.512 1.222 1.00 54.01 C ATOM 1296 O ALA A 75 -2.035 -22.249 1.717 1.00 43.42 O ATOM 1297 CB ALA A 75 -0.195 -24.593 -0.034 1.00 3.35 C ATOM 0 H ALA A 75 -2.222 -24.585 2.028 1.00 2.43 H new ATOM 0 HA ALA A 75 0.634 -23.837 1.773 1.00 13.52 H new ATOM 0 HB1 ALA A 75 0.453 -23.983 -0.663 1.00 3.35 H new ATOM 0 HB2 ALA A 75 0.250 -25.580 0.096 1.00 3.35 H new ATOM 0 HB3 ALA A 75 -1.171 -24.695 -0.509 1.00 3.35 H new ATOM 1303 N ILE A 76 -0.182 -21.643 0.572 1.00 45.33 N ATOM 1304 CA ILE A 76 -0.609 -20.266 0.391 1.00 65.33 C ATOM 1305 C ILE A 76 0.156 -19.649 -0.781 1.00 4.31 C ATOM 1306 O ILE A 76 1.383 -19.710 -0.827 1.00 22.55 O ATOM 1307 CB ILE A 76 -0.465 -19.484 1.699 1.00 71.13 C ATOM 1308 CG1 ILE A 76 -1.679 -18.582 1.936 1.00 33.21 C ATOM 1309 CG2 ILE A 76 0.846 -18.699 1.727 1.00 65.54 C ATOM 1310 CD1 ILE A 76 -1.482 -17.714 3.179 1.00 43.42 C ATOM 0 H ILE A 76 0.726 -21.865 0.164 1.00 45.33 H new ATOM 0 HA ILE A 76 -1.668 -20.226 0.137 1.00 65.33 H new ATOM 0 HB ILE A 76 -0.430 -20.199 2.521 1.00 71.13 H new ATOM 0 HG12 ILE A 76 -1.839 -17.946 1.066 1.00 33.21 H new ATOM 0 HG13 ILE A 76 -2.574 -19.194 2.053 1.00 33.21 H new ATOM 0 HG21 ILE A 76 0.923 -18.153 2.667 1.00 65.54 H new ATOM 0 HG22 ILE A 76 1.685 -19.389 1.639 1.00 65.54 H new ATOM 0 HG23 ILE A 76 0.866 -17.995 0.895 1.00 65.54 H new ATOM 0 HD11 ILE A 76 -2.359 -17.083 3.325 1.00 43.42 H new ATOM 0 HD12 ILE A 76 -1.346 -18.353 4.051 1.00 43.42 H new ATOM 0 HD13 ILE A 76 -0.601 -17.086 3.048 1.00 43.42 H new ATOM 1322 N PHE A 77 -0.602 -19.066 -1.699 1.00 12.42 N ATOM 1323 CA PHE A 77 -0.010 -18.439 -2.869 1.00 62.30 C ATOM 1324 C PHE A 77 -0.493 -16.994 -3.020 1.00 33.33 C ATOM 1325 O PHE A 77 -1.687 -16.722 -2.909 1.00 33.52 O ATOM 1326 CB PHE A 77 -0.464 -19.245 -4.087 1.00 40.44 C ATOM 1327 CG PHE A 77 -0.188 -20.746 -3.979 1.00 70.23 C ATOM 1328 CD1 PHE A 77 1.023 -21.243 -4.344 1.00 4.54 C ATOM 1329 CD2 PHE A 77 -1.154 -21.583 -3.516 1.00 44.34 C ATOM 1330 CE1 PHE A 77 1.281 -22.636 -4.242 1.00 1.33 C ATOM 1331 CE2 PHE A 77 -0.898 -22.975 -3.414 1.00 41.05 C ATOM 1332 CZ PHE A 77 0.314 -23.474 -3.779 1.00 35.23 C ATOM 0 H PHE A 77 -1.620 -19.015 -1.656 1.00 12.42 H new ATOM 0 HA PHE A 77 1.076 -18.423 -2.773 1.00 62.30 H new ATOM 0 HB2 PHE A 77 -1.533 -19.092 -4.233 1.00 40.44 H new ATOM 0 HB3 PHE A 77 0.037 -18.857 -4.974 1.00 40.44 H new ATOM 0 HD1 PHE A 77 1.790 -20.578 -4.712 1.00 4.54 H new ATOM 0 HD2 PHE A 77 -2.117 -21.188 -3.226 1.00 44.34 H new ATOM 0 HE1 PHE A 77 2.244 -23.030 -4.532 1.00 1.33 H new ATOM 0 HE2 PHE A 77 -1.666 -23.639 -3.046 1.00 41.05 H new ATOM 0 HZ PHE A 77 0.508 -24.534 -3.701 1.00 35.23 H new ATOM 1342 N ILE A 78 0.460 -16.108 -3.268 1.00 3.55 N ATOM 1343 CA ILE A 78 0.146 -14.699 -3.435 1.00 70.04 C ATOM 1344 C ILE A 78 -0.252 -14.438 -4.888 1.00 63.43 C ATOM 1345 O ILE A 78 0.469 -14.811 -5.810 1.00 62.34 O ATOM 1346 CB ILE A 78 1.309 -13.831 -2.952 1.00 15.11 C ATOM 1347 CG1 ILE A 78 1.910 -14.389 -1.658 1.00 31.40 C ATOM 1348 CG2 ILE A 78 0.878 -12.371 -2.799 1.00 23.31 C ATOM 1349 CD1 ILE A 78 0.988 -14.122 -0.466 1.00 44.32 C ATOM 0 H ILE A 78 1.450 -16.338 -3.357 1.00 3.55 H new ATOM 0 HA ILE A 78 -0.708 -14.423 -2.816 1.00 70.04 H new ATOM 0 HB ILE A 78 2.092 -13.858 -3.710 1.00 15.11 H new ATOM 0 HG12 ILE A 78 2.075 -15.461 -1.762 1.00 31.40 H new ATOM 0 HG13 ILE A 78 2.884 -13.933 -1.479 1.00 31.40 H new ATOM 0 HG21 ILE A 78 1.724 -11.776 -2.454 1.00 23.31 H new ATOM 0 HG22 ILE A 78 0.534 -11.990 -3.761 1.00 23.31 H new ATOM 0 HG23 ILE A 78 0.068 -12.305 -2.072 1.00 23.31 H new ATOM 0 HD11 ILE A 78 1.438 -14.528 0.440 1.00 44.32 H new ATOM 0 HD12 ILE A 78 0.845 -13.048 -0.350 1.00 44.32 H new ATOM 0 HD13 ILE A 78 0.024 -14.600 -0.638 1.00 44.32 H new ATOM 1361 N PHE A 79 -1.402 -13.799 -5.046 1.00 54.23 N ATOM 1362 CA PHE A 79 -1.907 -13.483 -6.372 1.00 2.04 C ATOM 1363 C PHE A 79 -2.045 -11.972 -6.560 1.00 53.42 C ATOM 1364 O PHE A 79 -2.780 -11.314 -5.824 1.00 2.01 O ATOM 1365 CB PHE A 79 -3.290 -14.128 -6.490 1.00 31.10 C ATOM 1366 CG PHE A 79 -3.279 -15.501 -7.164 1.00 60.10 C ATOM 1367 CD1 PHE A 79 -2.929 -15.614 -8.473 1.00 30.00 C ATOM 1368 CD2 PHE A 79 -3.620 -16.610 -6.455 1.00 2.43 C ATOM 1369 CE1 PHE A 79 -2.918 -16.888 -9.100 1.00 1.54 C ATOM 1370 CE2 PHE A 79 -3.612 -17.885 -7.080 1.00 63.12 C ATOM 1371 CZ PHE A 79 -3.261 -17.997 -8.389 1.00 62.01 C ATOM 0 H PHE A 79 -1.999 -13.491 -4.278 1.00 54.23 H new ATOM 0 HA PHE A 79 -1.218 -13.855 -7.131 1.00 2.04 H new ATOM 0 HB2 PHE A 79 -3.720 -14.227 -5.493 1.00 31.10 H new ATOM 0 HB3 PHE A 79 -3.943 -13.463 -7.054 1.00 31.10 H new ATOM 0 HD1 PHE A 79 -2.659 -14.733 -9.037 1.00 30.00 H new ATOM 0 HD2 PHE A 79 -3.897 -16.521 -5.415 1.00 2.43 H new ATOM 0 HE1 PHE A 79 -2.638 -16.977 -10.139 1.00 1.54 H new ATOM 0 HE2 PHE A 79 -3.884 -18.765 -6.516 1.00 63.12 H new ATOM 0 HZ PHE A 79 -3.254 -18.966 -8.865 1.00 62.01 H new ATOM 1381 N VAL A 80 -1.327 -11.462 -7.551 1.00 21.44 N ATOM 1382 CA VAL A 80 -1.360 -10.040 -7.846 1.00 62.12 C ATOM 1383 C VAL A 80 -1.826 -9.834 -9.288 1.00 53.14 C ATOM 1384 O VAL A 80 -1.075 -10.087 -10.229 1.00 72.31 O ATOM 1385 CB VAL A 80 0.008 -9.415 -7.564 1.00 75.21 C ATOM 1386 CG1 VAL A 80 1.055 -9.914 -8.562 1.00 74.51 C ATOM 1387 CG2 VAL A 80 -0.075 -7.887 -7.574 1.00 72.24 C ATOM 0 H VAL A 80 -0.719 -12.009 -8.160 1.00 21.44 H new ATOM 0 HA VAL A 80 -2.074 -9.532 -7.198 1.00 62.12 H new ATOM 0 HB VAL A 80 0.320 -9.727 -6.567 1.00 75.21 H new ATOM 0 HG11 VAL A 80 2.018 -9.455 -8.339 1.00 74.51 H new ATOM 0 HG12 VAL A 80 1.144 -10.998 -8.485 1.00 74.51 H new ATOM 0 HG13 VAL A 80 0.750 -9.646 -9.574 1.00 74.51 H new ATOM 0 HG21 VAL A 80 0.910 -7.468 -7.371 1.00 72.24 H new ATOM 0 HG22 VAL A 80 -0.419 -7.548 -8.551 1.00 72.24 H new ATOM 0 HG23 VAL A 80 -0.775 -7.556 -6.807 1.00 72.24 H new ATOM 1397 N ASN A 81 -3.062 -9.375 -9.417 1.00 42.00 N ATOM 1398 CA ASN A 81 -3.638 -9.132 -10.729 1.00 42.34 C ATOM 1399 C ASN A 81 -3.965 -10.471 -11.395 1.00 23.52 C ATOM 1400 O ASN A 81 -3.854 -10.606 -12.612 1.00 11.11 O ATOM 1401 CB ASN A 81 -2.655 -8.384 -11.632 1.00 33.42 C ATOM 1402 CG ASN A 81 -1.948 -7.265 -10.862 1.00 32.13 C ATOM 1403 OD1 ASN A 81 -2.483 -6.192 -10.644 1.00 74.42 O ATOM 1404 ND2 ASN A 81 -0.717 -7.577 -10.465 1.00 23.44 N ATOM 0 H ASN A 81 -3.681 -9.165 -8.634 1.00 42.00 H new ATOM 0 HA ASN A 81 -4.537 -8.530 -10.596 1.00 42.34 H new ATOM 0 HB2 ASN A 81 -1.917 -9.081 -12.028 1.00 33.42 H new ATOM 0 HB3 ASN A 81 -3.187 -7.964 -12.486 1.00 33.42 H new ATOM 0 HD21 ASN A 81 -0.162 -6.898 -9.944 1.00 23.44 H new ATOM 0 HD22 ASN A 81 -0.329 -8.495 -10.681 1.00 23.44 H new ATOM 1411 N ASP A 82 -4.361 -11.426 -10.567 1.00 73.32 N ATOM 1412 CA ASP A 82 -4.705 -12.749 -11.059 1.00 23.32 C ATOM 1413 C ASP A 82 -3.446 -13.430 -11.598 1.00 11.03 C ATOM 1414 O ASP A 82 -3.530 -14.473 -12.246 1.00 50.53 O ATOM 1415 CB ASP A 82 -5.723 -12.664 -12.198 1.00 70.50 C ATOM 1416 CG ASP A 82 -6.806 -11.599 -12.019 1.00 21.54 C ATOM 1417 OD1 ASP A 82 -6.818 -10.577 -12.723 1.00 75.13 O ATOM 1418 OD2 ASP A 82 -7.675 -11.853 -11.101 1.00 63.05 O ATOM 0 H ASP A 82 -4.451 -11.310 -9.558 1.00 73.32 H new ATOM 0 HA ASP A 82 -5.135 -13.316 -10.233 1.00 23.32 H new ATOM 0 HB2 ASP A 82 -5.190 -12.466 -13.128 1.00 70.50 H new ATOM 0 HB3 ASP A 82 -6.205 -13.636 -12.308 1.00 70.50 H new ATOM 1424 N THR A 83 -2.309 -12.814 -11.311 1.00 42.44 N ATOM 1425 CA THR A 83 -1.035 -13.348 -11.760 1.00 61.11 C ATOM 1426 C THR A 83 -0.118 -13.617 -10.565 1.00 21.15 C ATOM 1427 O THR A 83 0.347 -12.684 -9.912 1.00 74.25 O ATOM 1428 CB THR A 83 -0.439 -12.366 -12.771 1.00 23.31 C ATOM 1429 OG1 THR A 83 0.055 -13.199 -13.815 1.00 43.30 O ATOM 1430 CG2 THR A 83 0.807 -11.658 -12.237 1.00 30.14 C ATOM 0 H THR A 83 -2.244 -11.950 -10.773 1.00 42.44 H new ATOM 0 HA THR A 83 -1.164 -14.310 -12.256 1.00 61.11 H new ATOM 0 HB THR A 83 -1.190 -11.623 -13.040 1.00 23.31 H new ATOM 0 HG1 THR A 83 0.457 -12.643 -14.515 1.00 43.30 H new ATOM 0 HG21 THR A 83 1.189 -10.973 -12.994 1.00 30.14 H new ATOM 0 HG22 THR A 83 0.550 -11.098 -11.338 1.00 30.14 H new ATOM 0 HG23 THR A 83 1.571 -12.397 -11.998 1.00 30.14 H new ATOM 1438 N LEU A 84 0.112 -14.899 -10.314 1.00 12.33 N ATOM 1439 CA LEU A 84 0.964 -15.302 -9.208 1.00 64.22 C ATOM 1440 C LEU A 84 2.425 -15.018 -9.565 1.00 22.45 C ATOM 1441 O LEU A 84 2.976 -15.633 -10.475 1.00 1.12 O ATOM 1442 CB LEU A 84 0.696 -16.761 -8.830 1.00 62.51 C ATOM 1443 CG LEU A 84 0.929 -17.127 -7.363 1.00 1.30 C ATOM 1444 CD1 LEU A 84 -0.388 -17.135 -6.584 1.00 31.45 C ATOM 1445 CD2 LEU A 84 1.673 -18.458 -7.242 1.00 5.15 C ATOM 0 H LEU A 84 -0.276 -15.670 -10.857 1.00 12.33 H new ATOM 0 HA LEU A 84 0.734 -14.718 -8.317 1.00 64.22 H new ATOM 0 HB2 LEU A 84 -0.338 -16.997 -9.083 1.00 62.51 H new ATOM 0 HB3 LEU A 84 1.329 -17.398 -9.448 1.00 62.51 H new ATOM 0 HG LEU A 84 1.563 -16.361 -6.917 1.00 1.30 H new ATOM 0 HD11 LEU A 84 -0.194 -17.398 -5.544 1.00 31.45 H new ATOM 0 HD12 LEU A 84 -0.843 -16.146 -6.629 1.00 31.45 H new ATOM 0 HD13 LEU A 84 -1.066 -17.867 -7.023 1.00 31.45 H new ATOM 0 HD21 LEU A 84 1.826 -18.695 -6.189 1.00 5.15 H new ATOM 0 HD22 LEU A 84 1.085 -19.247 -7.710 1.00 5.15 H new ATOM 0 HD23 LEU A 84 2.639 -18.381 -7.741 1.00 5.15 H new ATOM 1457 N PRO A 85 3.025 -14.059 -8.808 1.00 73.14 N ATOM 1458 CA PRO A 85 4.411 -13.686 -9.035 1.00 54.01 C ATOM 1459 C PRO A 85 5.362 -14.756 -8.497 1.00 31.32 C ATOM 1460 O PRO A 85 4.965 -15.598 -7.693 1.00 23.50 O ATOM 1461 CB PRO A 85 4.574 -12.343 -8.343 1.00 13.52 C ATOM 1462 CG PRO A 85 3.414 -12.234 -7.364 1.00 42.32 C ATOM 1463 CD PRO A 85 2.403 -13.310 -7.721 1.00 13.01 C ATOM 0 HA PRO A 85 4.658 -13.606 -10.094 1.00 54.01 H new ATOM 0 HB2 PRO A 85 5.530 -12.285 -7.823 1.00 13.52 H new ATOM 0 HB3 PRO A 85 4.554 -11.527 -9.065 1.00 13.52 H new ATOM 0 HG2 PRO A 85 3.765 -12.364 -6.340 1.00 42.32 H new ATOM 0 HG3 PRO A 85 2.957 -11.246 -7.422 1.00 42.32 H new ATOM 0 HD2 PRO A 85 2.192 -13.954 -6.867 1.00 13.01 H new ATOM 0 HD3 PRO A 85 1.454 -12.874 -8.033 1.00 13.01 H new ATOM 1471 N PRO A 86 6.633 -14.688 -8.975 1.00 12.01 N ATOM 1472 CA PRO A 86 7.645 -15.641 -8.550 1.00 0.14 C ATOM 1473 C PRO A 86 8.126 -15.333 -7.130 1.00 13.22 C ATOM 1474 O PRO A 86 7.489 -14.570 -6.407 1.00 70.44 O ATOM 1475 CB PRO A 86 8.749 -15.530 -9.588 1.00 21.33 C ATOM 1476 CG PRO A 86 8.531 -14.199 -10.289 1.00 1.45 C ATOM 1477 CD PRO A 86 7.140 -13.705 -9.929 1.00 12.41 C ATOM 0 HA PRO A 86 7.267 -16.662 -8.498 1.00 0.14 H new ATOM 0 HB2 PRO A 86 9.732 -15.567 -9.118 1.00 21.33 H new ATOM 0 HB3 PRO A 86 8.703 -16.357 -10.297 1.00 21.33 H new ATOM 0 HG2 PRO A 86 9.285 -13.476 -9.978 1.00 1.45 H new ATOM 0 HG3 PRO A 86 8.627 -14.316 -11.368 1.00 1.45 H new ATOM 0 HD2 PRO A 86 7.175 -12.708 -9.489 1.00 12.41 H new ATOM 0 HD3 PRO A 86 6.502 -13.642 -10.810 1.00 12.41 H new ATOM 1485 N THR A 87 9.246 -15.945 -6.774 1.00 44.33 N ATOM 1486 CA THR A 87 9.819 -15.747 -5.453 1.00 62.41 C ATOM 1487 C THR A 87 10.922 -14.688 -5.504 1.00 30.31 C ATOM 1488 O THR A 87 11.102 -13.928 -4.556 1.00 14.22 O ATOM 1489 CB THR A 87 10.302 -17.104 -4.940 1.00 10.12 C ATOM 1490 OG1 THR A 87 11.604 -17.246 -5.503 1.00 55.12 O ATOM 1491 CG2 THR A 87 9.512 -18.272 -5.534 1.00 50.43 C ATOM 0 H THR A 87 9.772 -16.578 -7.377 1.00 44.33 H new ATOM 0 HA THR A 87 9.077 -15.364 -4.752 1.00 62.41 H new ATOM 0 HB THR A 87 10.223 -17.128 -3.853 1.00 10.12 H new ATOM 0 HG1 THR A 87 11.992 -18.100 -5.219 1.00 55.12 H new ATOM 0 HG21 THR A 87 9.896 -19.211 -5.136 1.00 50.43 H new ATOM 0 HG22 THR A 87 8.459 -18.170 -5.271 1.00 50.43 H new ATOM 0 HG23 THR A 87 9.617 -18.268 -6.619 1.00 50.43 H new ATOM 1499 N ALA A 88 11.632 -14.674 -6.623 1.00 71.44 N ATOM 1500 CA ALA A 88 12.713 -13.721 -6.811 1.00 13.45 C ATOM 1501 C ALA A 88 12.145 -12.413 -7.363 1.00 44.20 C ATOM 1502 O ALA A 88 12.893 -11.552 -7.823 1.00 63.25 O ATOM 1503 CB ALA A 88 13.776 -14.328 -7.729 1.00 64.41 C ATOM 0 H ALA A 88 11.480 -15.307 -7.408 1.00 71.44 H new ATOM 0 HA ALA A 88 13.194 -13.495 -5.859 1.00 13.45 H new ATOM 0 HB1 ALA A 88 14.587 -13.613 -7.870 1.00 64.41 H new ATOM 0 HB2 ALA A 88 14.170 -15.239 -7.277 1.00 64.41 H new ATOM 0 HB3 ALA A 88 13.330 -14.566 -8.695 1.00 64.41 H new ATOM 1509 N ALA A 89 10.825 -12.306 -7.301 1.00 34.45 N ATOM 1510 CA ALA A 89 10.147 -11.118 -7.792 1.00 73.43 C ATOM 1511 C ALA A 89 10.176 -10.037 -6.708 1.00 42.11 C ATOM 1512 O ALA A 89 9.129 -9.604 -6.231 1.00 30.52 O ATOM 1513 CB ALA A 89 8.722 -11.480 -8.214 1.00 61.45 C ATOM 0 H ALA A 89 10.208 -13.022 -6.918 1.00 34.45 H new ATOM 0 HA ALA A 89 10.656 -10.721 -8.670 1.00 73.43 H new ATOM 0 HB1 ALA A 89 8.214 -10.589 -8.582 1.00 61.45 H new ATOM 0 HB2 ALA A 89 8.756 -12.231 -9.004 1.00 61.45 H new ATOM 0 HB3 ALA A 89 8.179 -11.879 -7.357 1.00 61.45 H new ATOM 1519 N LEU A 90 11.388 -9.633 -6.354 1.00 64.42 N ATOM 1520 CA LEU A 90 11.567 -8.611 -5.337 1.00 63.51 C ATOM 1521 C LEU A 90 10.302 -7.757 -5.250 1.00 52.21 C ATOM 1522 O LEU A 90 9.933 -7.086 -6.213 1.00 54.01 O ATOM 1523 CB LEU A 90 12.838 -7.802 -5.608 1.00 34.25 C ATOM 1524 CG LEU A 90 13.904 -7.841 -4.511 1.00 71.21 C ATOM 1525 CD1 LEU A 90 14.028 -9.245 -3.917 1.00 54.54 C ATOM 1526 CD2 LEU A 90 15.244 -7.318 -5.032 1.00 41.31 C ATOM 0 H LEU A 90 12.254 -9.995 -6.753 1.00 64.42 H new ATOM 0 HA LEU A 90 11.711 -9.069 -4.358 1.00 63.51 H new ATOM 0 HB2 LEU A 90 13.285 -8.164 -6.534 1.00 34.25 H new ATOM 0 HB3 LEU A 90 12.555 -6.763 -5.775 1.00 34.25 H new ATOM 0 HG LEU A 90 13.590 -7.178 -3.705 1.00 71.21 H new ATOM 0 HD11 LEU A 90 14.792 -9.245 -3.140 1.00 54.54 H new ATOM 0 HD12 LEU A 90 13.072 -9.543 -3.486 1.00 54.54 H new ATOM 0 HD13 LEU A 90 14.308 -9.948 -4.701 1.00 54.54 H new ATOM 0 HD21 LEU A 90 15.985 -7.356 -4.233 1.00 41.31 H new ATOM 0 HD22 LEU A 90 15.577 -7.937 -5.865 1.00 41.31 H new ATOM 0 HD23 LEU A 90 15.126 -6.288 -5.369 1.00 41.31 H new ATOM 1538 N MET A 91 9.670 -7.807 -4.086 1.00 32.43 N ATOM 1539 CA MET A 91 8.453 -7.046 -3.860 1.00 22.31 C ATOM 1540 C MET A 91 8.620 -5.597 -4.320 1.00 44.01 C ATOM 1541 O MET A 91 7.637 -4.917 -4.608 1.00 41.02 O ATOM 1542 CB MET A 91 8.103 -7.072 -2.371 1.00 61.30 C ATOM 1543 CG MET A 91 7.988 -8.510 -1.859 1.00 10.20 C ATOM 1544 SD MET A 91 6.451 -9.230 -2.406 1.00 71.21 S ATOM 1545 CE MET A 91 5.309 -7.967 -1.874 1.00 3.14 C ATOM 0 H MET A 91 9.979 -8.363 -3.289 1.00 32.43 H new ATOM 0 HA MET A 91 7.649 -7.501 -4.439 1.00 22.31 H new ATOM 0 HB2 MET A 91 8.868 -6.541 -1.805 1.00 61.30 H new ATOM 0 HB3 MET A 91 7.162 -6.547 -2.206 1.00 61.30 H new ATOM 0 HG2 MET A 91 8.827 -9.103 -2.223 1.00 10.20 H new ATOM 0 HG3 MET A 91 8.038 -8.522 -0.770 1.00 10.20 H new ATOM 0 HE1 MET A 91 4.291 -8.352 -1.926 1.00 3.14 H new ATOM 0 HE2 MET A 91 5.536 -7.680 -0.847 1.00 3.14 H new ATOM 0 HE3 MET A 91 5.401 -7.096 -2.523 1.00 3.14 H new ATOM 1555 N SER A 92 9.872 -5.167 -4.374 1.00 61.22 N ATOM 1556 CA SER A 92 10.181 -3.811 -4.796 1.00 10.22 C ATOM 1557 C SER A 92 9.900 -3.650 -6.291 1.00 3.55 C ATOM 1558 O SER A 92 9.355 -2.634 -6.719 1.00 30.35 O ATOM 1559 CB SER A 92 11.636 -3.455 -4.488 1.00 12.35 C ATOM 1560 OG SER A 92 12.251 -2.746 -5.559 1.00 55.11 O ATOM 0 H SER A 92 10.685 -5.734 -4.132 1.00 61.22 H new ATOM 0 HA SER A 92 9.542 -3.127 -4.237 1.00 10.22 H new ATOM 0 HB2 SER A 92 11.677 -2.850 -3.582 1.00 12.35 H new ATOM 0 HB3 SER A 92 12.198 -4.367 -4.288 1.00 12.35 H new ATOM 0 HG SER A 92 13.178 -2.536 -5.322 1.00 55.11 H new ATOM 1566 N ALA A 93 10.286 -4.669 -7.046 1.00 51.43 N ATOM 1567 CA ALA A 93 10.083 -4.654 -8.484 1.00 44.32 C ATOM 1568 C ALA A 93 8.645 -5.074 -8.797 1.00 70.44 C ATOM 1569 O ALA A 93 8.206 -4.993 -9.943 1.00 35.31 O ATOM 1570 CB ALA A 93 11.114 -5.564 -9.155 1.00 51.33 C ATOM 0 H ALA A 93 10.738 -5.510 -6.688 1.00 51.43 H new ATOM 0 HA ALA A 93 10.227 -3.649 -8.881 1.00 44.32 H new ATOM 0 HB1 ALA A 93 10.962 -5.553 -10.234 1.00 51.33 H new ATOM 0 HB2 ALA A 93 12.118 -5.207 -8.927 1.00 51.33 H new ATOM 0 HB3 ALA A 93 10.998 -6.582 -8.783 1.00 51.33 H new ATOM 1576 N ILE A 94 7.951 -5.513 -7.757 1.00 40.34 N ATOM 1577 CA ILE A 94 6.572 -5.947 -7.906 1.00 0.42 C ATOM 1578 C ILE A 94 5.645 -4.739 -7.761 1.00 61.53 C ATOM 1579 O ILE A 94 4.759 -4.529 -8.589 1.00 44.40 O ATOM 1580 CB ILE A 94 6.260 -7.084 -6.931 1.00 24.11 C ATOM 1581 CG1 ILE A 94 7.080 -8.332 -7.262 1.00 53.44 C ATOM 1582 CG2 ILE A 94 4.758 -7.377 -6.895 1.00 24.34 C ATOM 1583 CD1 ILE A 94 6.563 -9.005 -8.535 1.00 10.40 C ATOM 0 H ILE A 94 8.318 -5.577 -6.808 1.00 40.34 H new ATOM 0 HA ILE A 94 6.406 -6.359 -8.902 1.00 0.42 H new ATOM 0 HB ILE A 94 6.551 -6.765 -5.930 1.00 24.11 H new ATOM 0 HG12 ILE A 94 8.128 -8.060 -7.390 1.00 53.44 H new ATOM 0 HG13 ILE A 94 7.032 -9.034 -6.430 1.00 53.44 H new ATOM 0 HG21 ILE A 94 4.562 -8.189 -6.195 1.00 24.34 H new ATOM 0 HG22 ILE A 94 4.221 -6.484 -6.575 1.00 24.34 H new ATOM 0 HG23 ILE A 94 4.420 -7.667 -7.890 1.00 24.34 H new ATOM 0 HD11 ILE A 94 7.163 -9.890 -8.748 1.00 10.40 H new ATOM 0 HD12 ILE A 94 5.522 -9.297 -8.395 1.00 10.40 H new ATOM 0 HD13 ILE A 94 6.635 -8.308 -9.370 1.00 10.40 H new ATOM 1595 N TYR A 95 5.879 -3.976 -6.703 1.00 51.15 N ATOM 1596 CA TYR A 95 5.077 -2.794 -6.439 1.00 20.24 C ATOM 1597 C TYR A 95 5.364 -1.695 -7.465 1.00 42.21 C ATOM 1598 O TYR A 95 4.701 -0.659 -7.471 1.00 45.41 O ATOM 1599 CB TYR A 95 5.493 -2.304 -5.051 1.00 42.53 C ATOM 1600 CG TYR A 95 4.903 -0.944 -4.670 1.00 20.22 C ATOM 1601 CD1 TYR A 95 5.412 0.210 -5.227 1.00 32.12 C ATOM 1602 CD2 TYR A 95 3.860 -0.874 -3.768 1.00 42.40 C ATOM 1603 CE1 TYR A 95 4.855 1.490 -4.867 1.00 52.14 C ATOM 1604 CE2 TYR A 95 3.304 0.405 -3.409 1.00 23.54 C ATOM 1605 CZ TYR A 95 3.829 1.524 -3.976 1.00 24.44 C ATOM 1606 OH TYR A 95 3.304 2.731 -3.637 1.00 51.50 O ATOM 0 H TYR A 95 6.614 -4.154 -6.018 1.00 51.15 H new ATOM 0 HA TYR A 95 4.014 -3.030 -6.497 1.00 20.24 H new ATOM 0 HB2 TYR A 95 5.187 -3.042 -4.309 1.00 42.53 H new ATOM 0 HB3 TYR A 95 6.580 -2.242 -5.009 1.00 42.53 H new ATOM 0 HD1 TYR A 95 6.228 0.155 -5.933 1.00 32.12 H new ATOM 0 HD2 TYR A 95 3.461 -1.778 -3.332 1.00 42.40 H new ATOM 0 HE1 TYR A 95 5.244 2.402 -5.296 1.00 52.14 H new ATOM 0 HE2 TYR A 95 2.488 0.474 -2.705 1.00 23.54 H new ATOM 0 HH TYR A 95 3.395 3.351 -4.391 1.00 51.50 H new ATOM 1616 N GLN A 96 6.354 -1.959 -8.305 1.00 41.34 N ATOM 1617 CA GLN A 96 6.738 -1.005 -9.332 1.00 40.14 C ATOM 1618 C GLN A 96 6.171 -1.430 -10.688 1.00 73.33 C ATOM 1619 O GLN A 96 6.231 -0.671 -11.655 1.00 35.05 O ATOM 1620 CB GLN A 96 8.258 -0.851 -9.396 1.00 62.44 C ATOM 1621 CG GLN A 96 8.702 -0.361 -10.775 1.00 73.05 C ATOM 1622 CD GLN A 96 8.113 1.018 -11.083 1.00 52.22 C ATOM 1623 OE1 GLN A 96 7.187 1.484 -10.440 1.00 22.34 O ATOM 1624 NE2 GLN A 96 8.700 1.642 -12.100 1.00 34.13 N ATOM 0 H GLN A 96 6.902 -2.819 -8.296 1.00 41.34 H new ATOM 0 HA GLN A 96 6.319 -0.033 -9.074 1.00 40.14 H new ATOM 0 HB2 GLN A 96 8.588 -0.147 -8.632 1.00 62.44 H new ATOM 0 HB3 GLN A 96 8.733 -1.807 -9.175 1.00 62.44 H new ATOM 0 HG2 GLN A 96 9.790 -0.313 -10.815 1.00 73.05 H new ATOM 0 HG3 GLN A 96 8.387 -1.074 -11.537 1.00 73.05 H new ATOM 0 HE21 GLN A 96 9.471 1.195 -12.596 1.00 34.13 H new ATOM 0 HE22 GLN A 96 8.379 2.568 -12.384 1.00 34.13 H new ATOM 1633 N GLU A 97 5.636 -2.642 -10.718 1.00 32.44 N ATOM 1634 CA GLU A 97 5.061 -3.176 -11.940 1.00 2.21 C ATOM 1635 C GLU A 97 3.572 -3.468 -11.742 1.00 41.50 C ATOM 1636 O GLU A 97 2.860 -3.763 -12.701 1.00 31.31 O ATOM 1637 CB GLU A 97 5.809 -4.429 -12.396 1.00 65.22 C ATOM 1638 CG GLU A 97 5.189 -5.690 -11.789 1.00 55.53 C ATOM 1639 CD GLU A 97 5.991 -6.935 -12.173 1.00 44.43 C ATOM 1640 OE1 GLU A 97 5.563 -8.061 -11.883 1.00 63.43 O ATOM 1641 OE2 GLU A 97 7.096 -6.701 -12.796 1.00 70.13 O ATOM 0 H GLU A 97 5.589 -3.269 -9.915 1.00 32.44 H new ATOM 0 HA GLU A 97 5.164 -2.426 -12.725 1.00 2.21 H new ATOM 0 HB2 GLU A 97 5.785 -4.495 -13.484 1.00 65.22 H new ATOM 0 HB3 GLU A 97 6.857 -4.358 -12.104 1.00 65.22 H new ATOM 0 HG2 GLU A 97 5.154 -5.596 -10.704 1.00 55.53 H new ATOM 0 HG3 GLU A 97 4.160 -5.795 -12.133 1.00 55.53 H new ATOM 1649 N HIS A 98 3.144 -3.374 -10.492 1.00 3.52 N ATOM 1650 CA HIS A 98 1.752 -3.626 -10.155 1.00 21.22 C ATOM 1651 C HIS A 98 1.203 -2.453 -9.341 1.00 61.24 C ATOM 1652 O HIS A 98 0.172 -2.580 -8.683 1.00 1.42 O ATOM 1653 CB HIS A 98 1.600 -4.969 -9.438 1.00 32.21 C ATOM 1654 CG HIS A 98 2.018 -6.159 -10.269 1.00 32.35 C ATOM 1655 ND1 HIS A 98 1.703 -6.285 -11.611 1.00 41.32 N ATOM 1656 CD2 HIS A 98 2.732 -7.273 -9.934 1.00 62.03 C ATOM 1657 CE1 HIS A 98 2.208 -7.428 -12.052 1.00 52.14 C ATOM 1658 NE2 HIS A 98 2.844 -8.038 -11.012 1.00 24.24 N ATOM 0 H HIS A 98 3.736 -3.127 -9.699 1.00 3.52 H new ATOM 0 HA HIS A 98 1.160 -3.700 -11.067 1.00 21.22 H new ATOM 0 HB2 HIS A 98 2.193 -4.951 -8.524 1.00 32.21 H new ATOM 0 HB3 HIS A 98 0.559 -5.094 -9.140 1.00 32.21 H new ATOM 0 HD2 HIS A 98 3.137 -7.494 -8.957 1.00 62.03 H new ATOM 0 HE1 HIS A 98 2.129 -7.810 -13.059 1.00 52.14 H new ATOM 0 HE2 HIS A 98 3.327 -8.935 -11.056 1.00 24.24 H new ATOM 1667 N LYS A 99 1.914 -1.338 -9.413 1.00 12.51 N ATOM 1668 CA LYS A 99 1.510 -0.143 -8.691 1.00 13.43 C ATOM 1669 C LYS A 99 0.085 0.236 -9.098 1.00 32.40 C ATOM 1670 O LYS A 99 -0.395 -0.180 -10.153 1.00 3.15 O ATOM 1671 CB LYS A 99 2.529 0.979 -8.899 1.00 4.34 C ATOM 1672 CG LYS A 99 2.640 1.349 -10.380 1.00 4.14 C ATOM 1673 CD LYS A 99 2.173 2.786 -10.624 1.00 12.25 C ATOM 1674 CE LYS A 99 2.074 3.084 -12.120 1.00 60.42 C ATOM 1675 NZ LYS A 99 0.871 3.896 -12.409 1.00 53.51 N ATOM 0 H LYS A 99 2.768 -1.236 -9.961 1.00 12.51 H new ATOM 0 HA LYS A 99 1.495 -0.333 -7.618 1.00 13.43 H new ATOM 0 HB2 LYS A 99 2.233 1.855 -8.322 1.00 4.34 H new ATOM 0 HB3 LYS A 99 3.503 0.665 -8.525 1.00 4.34 H new ATOM 0 HG2 LYS A 99 3.673 1.238 -10.710 1.00 4.14 H new ATOM 0 HG3 LYS A 99 2.040 0.662 -10.976 1.00 4.14 H new ATOM 0 HD2 LYS A 99 1.202 2.941 -10.154 1.00 12.25 H new ATOM 0 HD3 LYS A 99 2.869 3.483 -10.156 1.00 12.25 H new ATOM 0 HE2 LYS A 99 2.966 3.615 -12.451 1.00 60.42 H new ATOM 0 HE3 LYS A 99 2.033 2.150 -12.681 1.00 60.42 H new ATOM 0 HZ1 LYS A 99 0.819 4.089 -13.430 1.00 53.51 H new ATOM 0 HZ2 LYS A 99 0.021 3.375 -12.112 1.00 53.51 H new ATOM 0 HZ3 LYS A 99 0.926 4.795 -11.889 1.00 53.51 H new ATOM 1689 N ASP A 100 -0.553 1.019 -8.241 1.00 41.20 N ATOM 1690 CA ASP A 100 -1.913 1.458 -8.497 1.00 31.41 C ATOM 1691 C ASP A 100 -1.987 2.982 -8.365 1.00 24.34 C ATOM 1692 O ASP A 100 -1.015 3.621 -7.966 1.00 10.10 O ATOM 1693 CB ASP A 100 -2.888 0.849 -7.488 1.00 64.51 C ATOM 1694 CG ASP A 100 -3.782 -0.263 -8.044 1.00 34.41 C ATOM 1695 OD1 ASP A 100 -3.369 -1.035 -8.922 1.00 4.35 O ATOM 1696 OD2 ASP A 100 -4.963 -0.320 -7.529 1.00 2.43 O ATOM 0 H ASP A 100 -0.152 1.361 -7.368 1.00 41.20 H new ATOM 0 HA ASP A 100 -2.187 1.137 -9.502 1.00 31.41 H new ATOM 0 HB2 ASP A 100 -2.318 0.451 -6.649 1.00 64.51 H new ATOM 0 HB3 ASP A 100 -3.523 1.643 -7.094 1.00 64.51 H new ATOM 1702 N LYS A 101 -3.148 3.518 -8.708 1.00 74.24 N ATOM 1703 CA LYS A 101 -3.361 4.954 -8.633 1.00 45.13 C ATOM 1704 C LYS A 101 -3.185 5.414 -7.185 1.00 14.41 C ATOM 1705 O LYS A 101 -2.781 6.550 -6.936 1.00 44.44 O ATOM 1706 CB LYS A 101 -4.716 5.326 -9.236 1.00 61.03 C ATOM 1707 CG LYS A 101 -4.759 5.004 -10.731 1.00 1.14 C ATOM 1708 CD LYS A 101 -4.090 6.111 -11.550 1.00 13.14 C ATOM 1709 CE LYS A 101 -5.047 7.285 -11.768 1.00 51.00 C ATOM 1710 NZ LYS A 101 -4.829 8.327 -10.739 1.00 33.55 N ATOM 0 H LYS A 101 -3.952 2.984 -9.039 1.00 74.24 H new ATOM 0 HA LYS A 101 -2.617 5.483 -9.229 1.00 45.13 H new ATOM 0 HB2 LYS A 101 -5.508 4.783 -8.721 1.00 61.03 H new ATOM 0 HB3 LYS A 101 -4.906 6.388 -9.084 1.00 61.03 H new ATOM 0 HG2 LYS A 101 -4.256 4.055 -10.917 1.00 1.14 H new ATOM 0 HG3 LYS A 101 -5.794 4.885 -11.051 1.00 1.14 H new ATOM 0 HD2 LYS A 101 -3.194 6.458 -11.036 1.00 13.14 H new ATOM 0 HD3 LYS A 101 -3.771 5.713 -12.513 1.00 13.14 H new ATOM 0 HE2 LYS A 101 -4.894 7.708 -12.761 1.00 51.00 H new ATOM 0 HE3 LYS A 101 -6.078 6.934 -11.727 1.00 51.00 H new ATOM 0 HZ1 LYS A 101 -5.664 8.386 -10.122 1.00 33.55 H new ATOM 0 HZ2 LYS A 101 -3.994 8.082 -10.169 1.00 33.55 H new ATOM 0 HZ3 LYS A 101 -4.675 9.245 -11.202 1.00 33.55 H new ATOM 1724 N ASP A 102 -3.496 4.512 -6.267 1.00 24.54 N ATOM 1725 CA ASP A 102 -3.377 4.813 -4.851 1.00 44.11 C ATOM 1726 C ASP A 102 -1.948 4.516 -4.389 1.00 52.35 C ATOM 1727 O ASP A 102 -1.541 4.940 -3.309 1.00 42.15 O ATOM 1728 CB ASP A 102 -4.330 3.950 -4.022 1.00 5.45 C ATOM 1729 CG ASP A 102 -4.486 2.507 -4.510 1.00 13.43 C ATOM 1730 OD1 ASP A 102 -5.605 1.983 -4.608 1.00 41.40 O ATOM 1731 OD2 ASP A 102 -3.381 1.907 -4.799 1.00 40.41 O ATOM 0 H ASP A 102 -3.831 3.571 -6.476 1.00 24.54 H new ATOM 0 HA ASP A 102 -3.626 5.865 -4.708 1.00 44.11 H new ATOM 0 HB2 ASP A 102 -3.977 3.933 -2.991 1.00 5.45 H new ATOM 0 HB3 ASP A 102 -5.312 4.423 -4.015 1.00 5.45 H new ATOM 1737 N GLY A 103 -1.227 3.788 -5.230 1.00 12.34 N ATOM 1738 CA GLY A 103 0.146 3.429 -4.923 1.00 1.51 C ATOM 1739 C GLY A 103 0.206 2.130 -4.116 1.00 42.14 C ATOM 1740 O GLY A 103 1.084 1.298 -4.339 1.00 30.21 O ATOM 0 H GLY A 103 -1.569 3.437 -6.125 1.00 12.34 H new ATOM 0 HA2 GLY A 103 0.711 3.313 -5.848 1.00 1.51 H new ATOM 0 HA3 GLY A 103 0.619 4.233 -4.360 1.00 1.51 H new ATOM 1744 N PHE A 104 -0.739 1.997 -3.198 1.00 53.45 N ATOM 1745 CA PHE A 104 -0.805 0.813 -2.359 1.00 12.24 C ATOM 1746 C PHE A 104 -0.989 -0.450 -3.204 1.00 72.13 C ATOM 1747 O PHE A 104 -1.996 -0.597 -3.894 1.00 71.15 O ATOM 1748 CB PHE A 104 -2.019 0.980 -1.442 1.00 72.42 C ATOM 1749 CG PHE A 104 -1.714 1.709 -0.132 1.00 64.25 C ATOM 1750 CD1 PHE A 104 -0.791 1.202 0.729 1.00 30.24 C ATOM 1751 CD2 PHE A 104 -2.365 2.863 0.172 1.00 73.23 C ATOM 1752 CE1 PHE A 104 -0.508 1.877 1.946 1.00 70.41 C ATOM 1753 CE2 PHE A 104 -2.083 3.539 1.389 1.00 34.41 C ATOM 1754 CZ PHE A 104 -1.160 3.030 2.250 1.00 62.30 C ATOM 0 H PHE A 104 -1.466 2.690 -3.017 1.00 53.45 H new ATOM 0 HA PHE A 104 0.121 0.707 -1.793 1.00 12.24 H new ATOM 0 HB2 PHE A 104 -2.794 1.527 -1.978 1.00 72.42 H new ATOM 0 HB3 PHE A 104 -2.426 -0.005 -1.212 1.00 72.42 H new ATOM 0 HD1 PHE A 104 -0.273 0.286 0.487 1.00 30.24 H new ATOM 0 HD2 PHE A 104 -3.097 3.266 -0.512 1.00 73.23 H new ATOM 0 HE1 PHE A 104 0.225 1.474 2.629 1.00 70.41 H new ATOM 0 HE2 PHE A 104 -2.600 4.456 1.631 1.00 34.41 H new ATOM 0 HZ PHE A 104 -0.945 3.543 3.176 1.00 62.30 H new ATOM 1764 N LEU A 105 -0.001 -1.328 -3.121 1.00 64.23 N ATOM 1765 CA LEU A 105 -0.041 -2.573 -3.869 1.00 0.04 C ATOM 1766 C LEU A 105 -1.250 -3.396 -3.417 1.00 11.52 C ATOM 1767 O LEU A 105 -1.794 -3.164 -2.339 1.00 74.42 O ATOM 1768 CB LEU A 105 1.290 -3.316 -3.745 1.00 42.33 C ATOM 1769 CG LEU A 105 2.208 -3.256 -4.968 1.00 21.41 C ATOM 1770 CD1 LEU A 105 1.993 -4.468 -5.876 1.00 42.30 C ATOM 1771 CD2 LEU A 105 2.031 -1.937 -5.721 1.00 71.12 C ATOM 0 H LEU A 105 0.833 -1.202 -2.547 1.00 64.23 H new ATOM 0 HA LEU A 105 -0.170 -2.374 -4.933 1.00 0.04 H new ATOM 0 HB2 LEU A 105 1.831 -2.912 -2.889 1.00 42.33 H new ATOM 0 HB3 LEU A 105 1.080 -4.362 -3.524 1.00 42.33 H new ATOM 0 HG LEU A 105 3.241 -3.293 -4.622 1.00 21.41 H new ATOM 0 HD11 LEU A 105 2.658 -4.400 -6.737 1.00 42.30 H new ATOM 0 HD12 LEU A 105 2.210 -5.381 -5.322 1.00 42.30 H new ATOM 0 HD13 LEU A 105 0.958 -4.488 -6.217 1.00 42.30 H new ATOM 0 HD21 LEU A 105 2.695 -1.920 -6.586 1.00 71.12 H new ATOM 0 HD22 LEU A 105 0.998 -1.844 -6.055 1.00 71.12 H new ATOM 0 HD23 LEU A 105 2.275 -1.105 -5.060 1.00 71.12 H new ATOM 1783 N TYR A 106 -1.633 -4.339 -4.265 1.00 53.40 N ATOM 1784 CA TYR A 106 -2.768 -5.197 -3.967 1.00 42.31 C ATOM 1785 C TYR A 106 -2.468 -6.651 -4.343 1.00 52.24 C ATOM 1786 O TYR A 106 -2.265 -6.964 -5.514 1.00 34.34 O ATOM 1787 CB TYR A 106 -3.921 -4.688 -4.832 1.00 64.40 C ATOM 1788 CG TYR A 106 -4.560 -3.396 -4.317 1.00 62.10 C ATOM 1789 CD1 TYR A 106 -5.380 -3.424 -3.206 1.00 34.43 C ATOM 1790 CD2 TYR A 106 -4.317 -2.200 -4.963 1.00 44.43 C ATOM 1791 CE1 TYR A 106 -5.980 -2.210 -2.721 1.00 3.33 C ATOM 1792 CE2 TYR A 106 -4.918 -0.985 -4.479 1.00 41.03 C ATOM 1793 CZ TYR A 106 -5.720 -1.048 -3.383 1.00 45.15 C ATOM 1794 OH TYR A 106 -6.287 0.099 -2.925 1.00 44.34 O ATOM 0 H TYR A 106 -1.178 -4.528 -5.158 1.00 53.40 H new ATOM 0 HA TYR A 106 -3.001 -5.170 -2.903 1.00 42.31 H new ATOM 0 HB2 TYR A 106 -3.556 -4.522 -5.846 1.00 64.40 H new ATOM 0 HB3 TYR A 106 -4.687 -5.462 -4.891 1.00 64.40 H new ATOM 0 HD1 TYR A 106 -5.571 -4.359 -2.700 1.00 34.43 H new ATOM 0 HD2 TYR A 106 -3.676 -2.176 -5.832 1.00 44.43 H new ATOM 0 HE1 TYR A 106 -6.622 -2.219 -1.852 1.00 3.33 H new ATOM 0 HE2 TYR A 106 -4.736 -0.044 -4.976 1.00 41.03 H new ATOM 0 HH TYR A 106 -6.397 0.729 -3.668 1.00 44.34 H new ATOM 1804 N VAL A 107 -2.452 -7.499 -3.325 1.00 22.34 N ATOM 1805 CA VAL A 107 -2.182 -8.912 -3.532 1.00 40.22 C ATOM 1806 C VAL A 107 -3.349 -9.736 -2.986 1.00 71.32 C ATOM 1807 O VAL A 107 -4.270 -9.190 -2.382 1.00 62.14 O ATOM 1808 CB VAL A 107 -0.839 -9.286 -2.903 1.00 15.44 C ATOM 1809 CG1 VAL A 107 -0.117 -8.046 -2.370 1.00 53.13 C ATOM 1810 CG2 VAL A 107 -1.021 -10.330 -1.799 1.00 51.41 C ATOM 0 H VAL A 107 -2.622 -7.235 -2.355 1.00 22.34 H new ATOM 0 HA VAL A 107 -2.099 -9.133 -4.596 1.00 40.22 H new ATOM 0 HB VAL A 107 -0.217 -9.727 -3.682 1.00 15.44 H new ATOM 0 HG11 VAL A 107 0.835 -8.341 -1.928 1.00 53.13 H new ATOM 0 HG12 VAL A 107 0.063 -7.350 -3.189 1.00 53.13 H new ATOM 0 HG13 VAL A 107 -0.734 -7.563 -1.613 1.00 53.13 H new ATOM 0 HG21 VAL A 107 -0.051 -10.578 -1.369 1.00 51.41 H new ATOM 0 HG22 VAL A 107 -1.670 -9.928 -1.021 1.00 51.41 H new ATOM 0 HG23 VAL A 107 -1.472 -11.229 -2.219 1.00 51.41 H new ATOM 1820 N THR A 108 -3.271 -11.039 -3.218 1.00 21.14 N ATOM 1821 CA THR A 108 -4.310 -11.943 -2.756 1.00 55.41 C ATOM 1822 C THR A 108 -3.716 -13.317 -2.434 1.00 62.50 C ATOM 1823 O THR A 108 -3.363 -14.071 -3.340 1.00 11.44 O ATOM 1824 CB THR A 108 -5.406 -11.989 -3.822 1.00 74.21 C ATOM 1825 OG1 THR A 108 -5.404 -10.678 -4.379 1.00 40.54 O ATOM 1826 CG2 THR A 108 -6.804 -12.136 -3.218 1.00 22.42 C ATOM 0 H THR A 108 -2.505 -11.489 -3.719 1.00 21.14 H new ATOM 0 HA THR A 108 -4.757 -11.590 -1.826 1.00 55.41 H new ATOM 0 HB THR A 108 -5.216 -12.819 -4.503 1.00 74.21 H new ATOM 0 HG1 THR A 108 -6.085 -10.620 -5.081 1.00 40.54 H new ATOM 0 HG21 THR A 108 -7.545 -12.164 -4.017 1.00 22.42 H new ATOM 0 HG22 THR A 108 -6.856 -13.060 -2.643 1.00 22.42 H new ATOM 0 HG23 THR A 108 -7.008 -11.289 -2.563 1.00 22.42 H new ATOM 1834 N TYR A 109 -3.626 -13.599 -1.143 1.00 43.11 N ATOM 1835 CA TYR A 109 -3.082 -14.868 -0.690 1.00 32.00 C ATOM 1836 C TYR A 109 -4.197 -15.885 -0.439 1.00 31.13 C ATOM 1837 O TYR A 109 -5.101 -15.636 0.359 1.00 1.41 O ATOM 1838 CB TYR A 109 -2.367 -14.575 0.630 1.00 63.54 C ATOM 1839 CG TYR A 109 -3.307 -14.439 1.829 1.00 53.43 C ATOM 1840 CD1 TYR A 109 -3.702 -15.563 2.527 1.00 61.31 C ATOM 1841 CD2 TYR A 109 -3.761 -13.193 2.213 1.00 21.34 C ATOM 1842 CE1 TYR A 109 -4.587 -15.434 3.655 1.00 51.34 C ATOM 1843 CE2 TYR A 109 -4.645 -13.066 3.342 1.00 12.40 C ATOM 1844 CZ TYR A 109 -5.015 -14.193 4.007 1.00 12.31 C ATOM 1845 OH TYR A 109 -5.851 -14.072 5.073 1.00 35.34 O ATOM 0 H TYR A 109 -3.921 -12.970 -0.396 1.00 43.11 H new ATOM 0 HA TYR A 109 -2.414 -15.288 -1.442 1.00 32.00 H new ATOM 0 HB2 TYR A 109 -1.653 -15.374 0.830 1.00 63.54 H new ATOM 0 HB3 TYR A 109 -1.794 -13.654 0.524 1.00 63.54 H new ATOM 0 HD1 TYR A 109 -3.347 -16.538 2.227 1.00 61.31 H new ATOM 0 HD2 TYR A 109 -3.453 -12.314 1.667 1.00 21.34 H new ATOM 0 HE1 TYR A 109 -4.904 -16.305 4.210 1.00 51.34 H new ATOM 0 HE2 TYR A 109 -5.006 -12.097 3.654 1.00 12.40 H new ATOM 0 HH TYR A 109 -5.480 -14.562 5.837 1.00 35.34 H new ATOM 1855 N SER A 110 -4.099 -17.009 -1.133 1.00 65.21 N ATOM 1856 CA SER A 110 -5.088 -18.063 -0.994 1.00 13.24 C ATOM 1857 C SER A 110 -4.392 -19.424 -0.901 1.00 41.23 C ATOM 1858 O SER A 110 -3.279 -19.592 -1.396 1.00 40.25 O ATOM 1859 CB SER A 110 -6.073 -18.051 -2.163 1.00 42.53 C ATOM 1860 OG SER A 110 -5.604 -17.258 -3.250 1.00 73.50 O ATOM 0 H SER A 110 -3.349 -17.213 -1.794 1.00 65.21 H new ATOM 0 HA SER A 110 -5.651 -17.885 -0.078 1.00 13.24 H new ATOM 0 HB2 SER A 110 -6.241 -19.072 -2.506 1.00 42.53 H new ATOM 0 HB3 SER A 110 -7.035 -17.667 -1.823 1.00 42.53 H new ATOM 0 HG SER A 110 -6.261 -17.278 -3.977 1.00 73.50 H new ATOM 1866 N GLY A 111 -5.078 -20.359 -0.261 1.00 54.34 N ATOM 1867 CA GLY A 111 -4.541 -21.700 -0.095 1.00 10.15 C ATOM 1868 C GLY A 111 -4.682 -22.510 -1.386 1.00 11.13 C ATOM 1869 O GLY A 111 -4.319 -23.685 -1.429 1.00 34.05 O ATOM 0 H GLY A 111 -6.001 -20.215 0.149 1.00 54.34 H new ATOM 0 HA2 GLY A 111 -3.490 -21.642 0.190 1.00 10.15 H new ATOM 0 HA3 GLY A 111 -5.064 -22.207 0.716 1.00 10.15 H new ATOM 1873 N GLU A 112 -5.210 -21.851 -2.406 1.00 51.04 N ATOM 1874 CA GLU A 112 -5.404 -22.495 -3.694 1.00 65.25 C ATOM 1875 C GLU A 112 -4.648 -21.737 -4.786 1.00 62.14 C ATOM 1876 O GLU A 112 -4.698 -20.508 -4.843 1.00 15.24 O ATOM 1877 CB GLU A 112 -6.892 -22.605 -4.034 1.00 35.22 C ATOM 1878 CG GLU A 112 -7.492 -21.227 -4.321 1.00 43.23 C ATOM 1879 CD GLU A 112 -9.017 -21.257 -4.201 1.00 13.11 C ATOM 1880 OE1 GLU A 112 -9.552 -21.848 -3.251 1.00 1.43 O ATOM 1881 OE2 GLU A 112 -9.651 -20.638 -5.139 1.00 41.42 O ATOM 0 H GLU A 112 -5.510 -20.877 -2.367 1.00 51.04 H new ATOM 0 HA GLU A 112 -5.002 -23.507 -3.636 1.00 65.25 H new ATOM 0 HB2 GLU A 112 -7.024 -23.251 -4.902 1.00 35.22 H new ATOM 0 HB3 GLU A 112 -7.424 -23.072 -3.206 1.00 35.22 H new ATOM 0 HG2 GLU A 112 -7.083 -20.496 -3.623 1.00 43.23 H new ATOM 0 HG3 GLU A 112 -7.209 -20.905 -5.323 1.00 43.23 H new ATOM 1889 N ASN A 113 -3.964 -22.499 -5.626 1.00 71.13 N ATOM 1890 CA ASN A 113 -3.197 -21.916 -6.714 1.00 34.31 C ATOM 1891 C ASN A 113 -4.112 -21.706 -7.922 1.00 20.23 C ATOM 1892 O ASN A 113 -3.775 -22.104 -9.036 1.00 34.14 O ATOM 1893 CB ASN A 113 -2.054 -22.839 -7.140 1.00 45.03 C ATOM 1894 CG ASN A 113 -1.255 -22.225 -8.291 1.00 12.10 C ATOM 1895 OD1 ASN A 113 -1.234 -22.727 -9.403 1.00 30.35 O ATOM 1896 ND2 ASN A 113 -0.599 -21.115 -7.963 1.00 31.33 N ATOM 0 H ASN A 113 -3.925 -23.517 -5.575 1.00 71.13 H new ATOM 0 HA ASN A 113 -2.784 -20.970 -6.365 1.00 34.31 H new ATOM 0 HB2 ASN A 113 -1.394 -23.023 -6.292 1.00 45.03 H new ATOM 0 HB3 ASN A 113 -2.456 -23.805 -7.446 1.00 45.03 H new ATOM 0 HD21 ASN A 113 -0.035 -20.631 -8.661 1.00 31.33 H new ATOM 0 HD22 ASN A 113 -0.660 -20.748 -7.013 1.00 31.33 H new ATOM 2441 N ILE B 629 5.045 -7.316 9.257 1.00 24.41 N ATOM 2442 CA ILE B 629 4.198 -7.365 8.078 1.00 43.42 C ATOM 2443 C ILE B 629 5.073 -7.540 6.835 1.00 31.11 C ATOM 2444 O ILE B 629 4.733 -7.051 5.759 1.00 23.45 O ATOM 2445 CB ILE B 629 3.287 -6.137 8.022 1.00 50.14 C ATOM 2446 CG1 ILE B 629 4.075 -4.856 8.299 1.00 52.51 C ATOM 2447 CG2 ILE B 629 2.095 -6.294 8.970 1.00 41.43 C ATOM 2448 CD1 ILE B 629 5.374 -4.825 7.492 1.00 61.41 C ATOM 0 HA ILE B 629 3.531 -8.226 8.122 1.00 43.42 H new ATOM 0 HB ILE B 629 2.886 -6.056 7.012 1.00 50.14 H new ATOM 0 HG12 ILE B 629 3.465 -3.988 8.047 1.00 52.51 H new ATOM 0 HG13 ILE B 629 4.302 -4.788 9.363 1.00 52.51 H new ATOM 0 HG21 ILE B 629 1.464 -5.407 8.911 1.00 41.43 H new ATOM 0 HG22 ILE B 629 1.516 -7.172 8.684 1.00 41.43 H new ATOM 0 HG23 ILE B 629 2.456 -6.415 9.991 1.00 41.43 H new ATOM 0 HD11 ILE B 629 5.915 -3.903 7.708 1.00 61.41 H new ATOM 0 HD12 ILE B 629 5.992 -5.681 7.764 1.00 61.41 H new ATOM 0 HD13 ILE B 629 5.142 -4.869 6.428 1.00 61.41 H new ATOM 2460 N ALA B 630 6.182 -8.239 7.024 1.00 41.41 N ATOM 2461 CA ALA B 630 7.107 -8.484 5.931 1.00 34.31 C ATOM 2462 C ALA B 630 6.661 -9.730 5.161 1.00 73.25 C ATOM 2463 O ALA B 630 7.379 -10.726 5.116 1.00 11.20 O ATOM 2464 CB ALA B 630 8.528 -8.619 6.486 1.00 15.34 C ATOM 0 H ALA B 630 6.461 -8.644 7.918 1.00 41.41 H new ATOM 0 HA ALA B 630 7.107 -7.647 5.233 1.00 34.31 H new ATOM 0 HB1 ALA B 630 9.223 -8.803 5.666 1.00 15.34 H new ATOM 0 HB2 ALA B 630 8.807 -7.699 6.999 1.00 15.34 H new ATOM 0 HB3 ALA B 630 8.567 -9.452 7.188 1.00 15.34 H new