USER MOD reduce.3.24.130724 H: found=0, std=0, add=929, rem=0, adj=24 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= -6.7! C(o=-11!,f=-7.7!) USER MOD Set 1.2: A 98 HIS : no HD1:sc= -4.59! C(o=-11!,f=-7.7!) USER MOD Set 2.1: A 35 LYS NZ :NH3+ -169:sc= -9.33! (180deg=-5.99!) USER MOD Set 2.2: A 39 SER OG : rot 177:sc= -1.89 USER MOD Single : A 4 THR OG1 : rot -59:sc= -4.11! USER MOD Single : A 6 LYS NZ :NH3+ -133:sc= -1.09! (180deg=-2.29!) USER MOD Single : A 7 SER OG : rot -29:sc= 0.978 USER MOD Single : A 9 TYR OH : rot 30:sc= -3.11! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 147:sc= -0.671 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 CYS SG : rot 118:sc= 0.294 USER MOD Single : A 38 LYS NZ :NH3+ 150:sc= -0.225 (180deg=-1.19) USER MOD Single : A 46 LYS NZ :NH3+ -154:sc= 0.238 (180deg=0.0544) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= -0.153 (180deg=-0.153) USER MOD Single : A 49 TYR OH : rot 168:sc= -5.22! USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.112) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -126:sc= -0.271 (180deg=-0.543) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0507 USER MOD Single : A 91 MET CE :methyl -164:sc= -2.51! (180deg=-3.24!) USER MOD Single : A 92 SER OG : rot -169:sc= -0.618 USER MOD Single : A 95 TYR OH : rot 30:sc= -0.698 USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 142:sc= 1 USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.35! USER MOD Single : A 109 TYR OH : rot 180:sc= -2.01 USER MOD Single : A 110 SER OG : rot 150:sc= -0.664 USER MOD Single : A 113 ASN : amide:sc= -4.68! C(o=-4.7!,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 69 N THR A 4 -11.027 -5.009 5.539 1.00 53.15 N ATOM 70 CA THR A 4 -11.199 -4.228 6.752 1.00 1.20 C ATOM 71 C THR A 4 -10.483 -2.881 6.623 1.00 34.02 C ATOM 72 O THR A 4 -11.118 -1.829 6.665 1.00 52.13 O ATOM 73 CB THR A 4 -10.705 -5.068 7.931 1.00 73.15 C ATOM 74 OG1 THR A 4 -9.288 -5.068 7.787 1.00 53.12 O ATOM 75 CG2 THR A 4 -11.092 -6.543 7.800 1.00 74.44 C ATOM 0 HA THR A 4 -12.249 -3.989 6.923 1.00 1.20 H new ATOM 0 HB THR A 4 -11.111 -4.666 8.859 1.00 73.15 H new ATOM 0 HG1 THR A 4 -9.047 -5.452 6.918 1.00 53.12 H new ATOM 0 HG21 THR A 4 -10.718 -7.095 8.662 1.00 74.44 H new ATOM 0 HG22 THR A 4 -12.177 -6.632 7.756 1.00 74.44 H new ATOM 0 HG23 THR A 4 -10.657 -6.954 6.889 1.00 74.44 H new ATOM 83 N PHE A 5 -9.169 -2.958 6.469 1.00 11.00 N ATOM 84 CA PHE A 5 -8.360 -1.759 6.334 1.00 22.31 C ATOM 85 C PHE A 5 -8.778 -0.951 5.104 1.00 41.51 C ATOM 86 O PHE A 5 -8.698 0.276 5.107 1.00 44.32 O ATOM 87 CB PHE A 5 -6.910 -2.216 6.160 1.00 64.21 C ATOM 88 CG PHE A 5 -5.917 -1.070 5.958 1.00 65.11 C ATOM 89 CD1 PHE A 5 -5.594 -0.259 7.002 1.00 75.11 C ATOM 90 CD2 PHE A 5 -5.357 -0.862 4.737 1.00 10.12 C ATOM 91 CE1 PHE A 5 -4.672 0.805 6.815 1.00 33.11 C ATOM 92 CE2 PHE A 5 -4.435 0.202 4.550 1.00 0.14 C ATOM 93 CZ PHE A 5 -4.111 1.013 5.593 1.00 2.25 C ATOM 0 H PHE A 5 -8.645 -3.832 6.435 1.00 11.00 H new ATOM 0 HA PHE A 5 -8.485 -1.125 7.212 1.00 22.31 H new ATOM 0 HB2 PHE A 5 -6.613 -2.790 7.038 1.00 64.21 H new ATOM 0 HB3 PHE A 5 -6.852 -2.889 5.304 1.00 64.21 H new ATOM 0 HD1 PHE A 5 -6.039 -0.424 7.972 1.00 75.11 H new ATOM 0 HD2 PHE A 5 -5.613 -1.506 3.909 1.00 10.12 H new ATOM 0 HE1 PHE A 5 -4.416 1.449 7.643 1.00 33.11 H new ATOM 0 HE2 PHE A 5 -3.991 0.367 3.579 1.00 0.14 H new ATOM 0 HZ PHE A 5 -3.409 1.821 5.451 1.00 2.25 H new ATOM 103 N LYS A 6 -9.216 -1.671 4.082 1.00 54.43 N ATOM 104 CA LYS A 6 -9.648 -1.035 2.849 1.00 61.10 C ATOM 105 C LYS A 6 -11.176 -0.966 2.824 1.00 23.11 C ATOM 106 O LYS A 6 -11.765 -0.527 1.836 1.00 53.24 O ATOM 107 CB LYS A 6 -9.046 -1.751 1.638 1.00 72.11 C ATOM 108 CG LYS A 6 -7.711 -1.120 1.236 1.00 41.42 C ATOM 109 CD LYS A 6 -7.902 -0.114 0.100 1.00 55.05 C ATOM 110 CE LYS A 6 -8.638 -0.750 -1.080 1.00 11.24 C ATOM 111 NZ LYS A 6 -10.071 -0.382 -1.055 1.00 41.43 N ATOM 0 H LYS A 6 -9.281 -2.689 4.082 1.00 54.43 H new ATOM 0 HA LYS A 6 -9.281 -0.010 2.800 1.00 61.10 H new ATOM 0 HB2 LYS A 6 -8.898 -2.806 1.871 1.00 72.11 H new ATOM 0 HB3 LYS A 6 -9.742 -1.704 0.800 1.00 72.11 H new ATOM 0 HG2 LYS A 6 -7.266 -0.622 2.097 1.00 41.42 H new ATOM 0 HG3 LYS A 6 -7.015 -1.899 0.924 1.00 41.42 H new ATOM 0 HD2 LYS A 6 -8.465 0.746 0.463 1.00 55.05 H new ATOM 0 HD3 LYS A 6 -6.931 0.256 -0.230 1.00 55.05 H new ATOM 0 HE2 LYS A 6 -8.188 -0.421 -2.017 1.00 11.24 H new ATOM 0 HE3 LYS A 6 -8.534 -1.834 -1.040 1.00 11.24 H new ATOM 0 HZ1 LYS A 6 -10.651 -1.233 -1.204 1.00 41.43 H new ATOM 0 HZ2 LYS A 6 -10.305 0.039 -0.133 1.00 41.43 H new ATOM 0 HZ3 LYS A 6 -10.266 0.306 -1.810 1.00 41.43 H new ATOM 125 N SER A 7 -11.775 -1.405 3.921 1.00 32.24 N ATOM 126 CA SER A 7 -13.223 -1.396 4.038 1.00 10.10 C ATOM 127 C SER A 7 -13.662 -0.333 5.045 1.00 13.42 C ATOM 128 O SER A 7 -14.845 -0.222 5.362 1.00 63.35 O ATOM 129 CB SER A 7 -13.749 -2.770 4.457 1.00 44.33 C ATOM 130 OG SER A 7 -15.160 -2.766 4.654 1.00 52.21 O ATOM 0 H SER A 7 -11.284 -1.769 4.737 1.00 32.24 H new ATOM 0 HA SER A 7 -13.642 -1.156 3.061 1.00 10.10 H new ATOM 0 HB2 SER A 7 -13.492 -3.504 3.694 1.00 44.33 H new ATOM 0 HB3 SER A 7 -13.256 -3.081 5.378 1.00 44.33 H new ATOM 0 HG SER A 7 -15.448 -1.874 4.942 1.00 52.21 H new ATOM 136 N GLU A 8 -12.684 0.427 5.518 1.00 33.03 N ATOM 137 CA GLU A 8 -12.953 1.480 6.483 1.00 53.01 C ATOM 138 C GLU A 8 -13.174 2.814 5.765 1.00 75.05 C ATOM 139 O GLU A 8 -14.224 3.437 5.913 1.00 11.10 O ATOM 140 CB GLU A 8 -11.823 1.590 7.506 1.00 50.33 C ATOM 141 CG GLU A 8 -12.025 2.800 8.420 1.00 33.05 C ATOM 142 CD GLU A 8 -10.749 3.113 9.204 1.00 44.11 C ATOM 143 OE1 GLU A 8 -9.639 2.903 8.694 1.00 71.32 O ATOM 144 OE2 GLU A 8 -10.940 3.593 10.387 1.00 31.12 O ATOM 0 H GLU A 8 -11.704 0.334 5.251 1.00 33.03 H new ATOM 0 HA GLU A 8 -13.864 1.225 7.024 1.00 53.01 H new ATOM 0 HB2 GLU A 8 -11.781 0.680 8.105 1.00 50.33 H new ATOM 0 HB3 GLU A 8 -10.867 1.676 6.989 1.00 50.33 H new ATOM 0 HG2 GLU A 8 -12.312 3.667 7.824 1.00 33.05 H new ATOM 0 HG3 GLU A 8 -12.843 2.604 9.113 1.00 33.05 H new ATOM 152 N TYR A 9 -12.166 3.212 5.002 1.00 11.51 N ATOM 153 CA TYR A 9 -12.236 4.460 4.261 1.00 34.03 C ATOM 154 C TYR A 9 -12.081 4.215 2.759 1.00 13.04 C ATOM 155 O TYR A 9 -11.654 3.139 2.342 1.00 20.14 O ATOM 156 CB TYR A 9 -11.062 5.308 4.751 1.00 23.45 C ATOM 157 CG TYR A 9 -9.764 4.521 4.944 1.00 45.31 C ATOM 158 CD1 TYR A 9 -9.614 3.697 6.042 1.00 32.35 C ATOM 159 CD2 TYR A 9 -8.744 4.634 4.022 1.00 31.32 C ATOM 160 CE1 TYR A 9 -8.392 2.957 6.224 1.00 14.04 C ATOM 161 CE2 TYR A 9 -7.523 3.892 4.204 1.00 14.01 C ATOM 162 CZ TYR A 9 -7.407 3.090 5.295 1.00 24.23 C ATOM 163 OH TYR A 9 -6.254 2.390 5.468 1.00 62.13 O ATOM 0 H TYR A 9 -11.297 2.692 4.881 1.00 11.51 H new ATOM 0 HA TYR A 9 -13.198 4.947 4.420 1.00 34.03 H new ATOM 0 HB2 TYR A 9 -10.885 6.112 4.037 1.00 23.45 H new ATOM 0 HB3 TYR A 9 -11.335 5.776 5.697 1.00 23.45 H new ATOM 0 HD1 TYR A 9 -10.412 3.608 6.764 1.00 32.35 H new ATOM 0 HD2 TYR A 9 -8.861 5.279 3.164 1.00 31.32 H new ATOM 0 HE1 TYR A 9 -8.260 2.311 7.079 1.00 14.04 H new ATOM 0 HE2 TYR A 9 -6.717 3.971 3.489 1.00 14.01 H new ATOM 0 HH TYR A 9 -6.446 1.557 5.948 1.00 62.13 H new ATOM 173 N PRO A 10 -12.448 5.258 1.965 1.00 21.33 N ATOM 174 CA PRO A 10 -12.353 5.166 0.519 1.00 5.43 C ATOM 175 C PRO A 10 -10.900 5.278 0.055 1.00 23.30 C ATOM 176 O PRO A 10 -10.006 5.538 0.860 1.00 24.20 O ATOM 177 CB PRO A 10 -13.232 6.291 -0.004 1.00 2.54 C ATOM 178 CG PRO A 10 -13.413 7.253 1.158 1.00 23.32 C ATOM 179 CD PRO A 10 -12.958 6.546 2.424 1.00 44.44 C ATOM 0 HA PRO A 10 -12.690 4.203 0.136 1.00 5.43 H new ATOM 0 HB2 PRO A 10 -12.765 6.789 -0.854 1.00 2.54 H new ATOM 0 HB3 PRO A 10 -14.193 5.908 -0.347 1.00 2.54 H new ATOM 0 HG2 PRO A 10 -12.830 8.160 0.997 1.00 23.32 H new ATOM 0 HG3 PRO A 10 -14.457 7.556 1.244 1.00 23.32 H new ATOM 0 HD2 PRO A 10 -12.186 7.116 2.941 1.00 44.44 H new ATOM 0 HD3 PRO A 10 -13.783 6.418 3.125 1.00 44.44 H new ATOM 187 N PHE A 11 -10.708 5.078 -1.240 1.00 12.11 N ATOM 188 CA PHE A 11 -9.378 5.153 -1.820 1.00 25.15 C ATOM 189 C PHE A 11 -8.757 6.534 -1.591 1.00 3.34 C ATOM 190 O PHE A 11 -7.674 6.642 -1.021 1.00 13.02 O ATOM 191 CB PHE A 11 -9.532 4.920 -3.324 1.00 73.12 C ATOM 192 CG PHE A 11 -8.393 5.502 -4.164 1.00 53.51 C ATOM 193 CD1 PHE A 11 -7.286 4.755 -4.419 1.00 3.24 C ATOM 194 CD2 PHE A 11 -8.489 6.766 -4.657 1.00 64.31 C ATOM 195 CE1 PHE A 11 -6.228 5.295 -5.198 1.00 60.21 C ATOM 196 CE2 PHE A 11 -7.432 7.306 -5.437 1.00 0.24 C ATOM 197 CZ PHE A 11 -6.323 6.559 -5.692 1.00 72.02 C ATOM 0 H PHE A 11 -11.452 4.864 -1.905 1.00 12.11 H new ATOM 0 HA PHE A 11 -8.728 4.410 -1.358 1.00 25.15 H new ATOM 0 HB2 PHE A 11 -9.596 3.848 -3.510 1.00 73.12 H new ATOM 0 HB3 PHE A 11 -10.474 5.358 -3.655 1.00 73.12 H new ATOM 0 HD1 PHE A 11 -7.211 3.751 -4.029 1.00 3.24 H new ATOM 0 HD2 PHE A 11 -9.369 7.359 -4.455 1.00 64.31 H new ATOM 0 HE1 PHE A 11 -5.348 4.702 -5.398 1.00 60.21 H new ATOM 0 HE2 PHE A 11 -7.508 8.310 -5.828 1.00 0.24 H new ATOM 0 HZ PHE A 11 -5.520 6.969 -6.286 1.00 72.02 H new ATOM 207 N GLU A 12 -9.472 7.551 -2.048 1.00 32.21 N ATOM 208 CA GLU A 12 -9.005 8.919 -1.899 1.00 43.50 C ATOM 209 C GLU A 12 -8.333 9.106 -0.537 1.00 41.32 C ATOM 210 O GLU A 12 -7.424 9.924 -0.397 1.00 72.13 O ATOM 211 CB GLU A 12 -10.152 9.913 -2.086 1.00 61.12 C ATOM 212 CG GLU A 12 -10.285 10.331 -3.551 1.00 72.25 C ATOM 213 CD GLU A 12 -11.593 11.087 -3.791 1.00 53.25 C ATOM 214 OE1 GLU A 12 -12.151 11.027 -4.897 1.00 30.14 O ATOM 215 OE2 GLU A 12 -12.029 11.754 -2.777 1.00 20.32 O ATOM 0 H GLU A 12 -10.371 7.456 -2.521 1.00 32.21 H new ATOM 0 HA GLU A 12 -8.267 9.117 -2.676 1.00 43.50 H new ATOM 0 HB2 GLU A 12 -11.085 9.464 -1.747 1.00 61.12 H new ATOM 0 HB3 GLU A 12 -9.979 10.794 -1.468 1.00 61.12 H new ATOM 0 HG2 GLU A 12 -9.441 10.961 -3.831 1.00 72.25 H new ATOM 0 HG3 GLU A 12 -10.249 9.448 -4.189 1.00 72.25 H new ATOM 223 N LYS A 13 -8.805 8.334 0.430 1.00 5.43 N ATOM 224 CA LYS A 13 -8.262 8.405 1.776 1.00 64.41 C ATOM 225 C LYS A 13 -6.945 7.626 1.831 1.00 40.34 C ATOM 226 O LYS A 13 -5.928 8.150 2.287 1.00 3.22 O ATOM 227 CB LYS A 13 -9.298 7.933 2.799 1.00 65.01 C ATOM 228 CG LYS A 13 -8.674 7.799 4.189 1.00 14.12 C ATOM 229 CD LYS A 13 -8.597 9.158 4.888 1.00 72.31 C ATOM 230 CE LYS A 13 -9.840 9.405 5.745 1.00 2.41 C ATOM 231 NZ LYS A 13 -10.067 10.857 5.925 1.00 34.20 N ATOM 0 H LYS A 13 -9.557 7.656 0.309 1.00 5.43 H new ATOM 0 HA LYS A 13 -8.035 9.438 2.041 1.00 64.41 H new ATOM 0 HB2 LYS A 13 -10.127 8.640 2.835 1.00 65.01 H new ATOM 0 HB3 LYS A 13 -9.711 6.973 2.488 1.00 65.01 H new ATOM 0 HG2 LYS A 13 -9.264 7.109 4.792 1.00 14.12 H new ATOM 0 HG3 LYS A 13 -7.674 7.373 4.103 1.00 14.12 H new ATOM 0 HD2 LYS A 13 -7.705 9.199 5.514 1.00 72.31 H new ATOM 0 HD3 LYS A 13 -8.501 9.949 4.144 1.00 72.31 H new ATOM 0 HE2 LYS A 13 -10.711 8.951 5.272 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -9.719 8.927 6.717 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -10.915 11.006 6.509 1.00 34.20 H new ATOM 0 HZ2 LYS A 13 -9.243 11.281 6.396 1.00 34.20 H new ATOM 0 HZ3 LYS A 13 -10.203 11.305 4.996 1.00 34.20 H new ATOM 245 N ARG A 14 -7.006 6.389 1.360 1.00 61.35 N ATOM 246 CA ARG A 14 -5.831 5.534 1.349 1.00 70.54 C ATOM 247 C ARG A 14 -4.691 6.205 0.580 1.00 72.40 C ATOM 248 O ARG A 14 -3.587 6.352 1.101 1.00 21.25 O ATOM 249 CB ARG A 14 -6.142 4.180 0.708 1.00 65.45 C ATOM 250 CG ARG A 14 -5.288 3.071 1.328 1.00 13.40 C ATOM 251 CD ARG A 14 -3.877 3.072 0.736 1.00 22.22 C ATOM 252 NE ARG A 14 -3.821 2.175 -0.439 1.00 41.21 N ATOM 253 CZ ARG A 14 -4.052 0.846 -0.390 1.00 43.14 C ATOM 254 NH1 ARG A 14 -4.358 0.247 0.781 1.00 33.03 N ATOM 255 NH2 ARG A 14 -3.976 0.140 -1.503 1.00 2.22 N ATOM 0 H ARG A 14 -7.850 5.958 0.983 1.00 61.35 H new ATOM 0 HA ARG A 14 -5.529 5.373 2.384 1.00 70.54 H new ATOM 0 HB2 ARG A 14 -7.199 3.946 0.838 1.00 65.45 H new ATOM 0 HB3 ARG A 14 -5.956 4.230 -0.365 1.00 65.45 H new ATOM 0 HG2 ARG A 14 -5.234 3.209 2.408 1.00 13.40 H new ATOM 0 HG3 ARG A 14 -5.759 2.104 1.154 1.00 13.40 H new ATOM 0 HD2 ARG A 14 -3.597 4.084 0.445 1.00 22.22 H new ATOM 0 HD3 ARG A 14 -3.158 2.746 1.488 1.00 22.22 H new ATOM 0 HE ARG A 14 -3.593 2.587 -1.344 1.00 41.21 H new ATOM 0 HH11 ARG A 14 -4.416 0.799 1.637 1.00 33.03 H new ATOM 0 HH12 ARG A 14 -4.531 -0.758 0.810 1.00 33.03 H new ATOM 0 HH21 ARG A 14 -3.745 0.600 -2.384 1.00 2.22 H new ATOM 0 HH22 ARG A 14 -4.148 -0.865 -1.482 1.00 2.22 H new ATOM 269 N LYS A 15 -5.000 6.596 -0.648 1.00 2.20 N ATOM 270 CA LYS A 15 -4.016 7.251 -1.494 1.00 31.35 C ATOM 271 C LYS A 15 -3.278 8.317 -0.682 1.00 5.31 C ATOM 272 O LYS A 15 -2.060 8.448 -0.785 1.00 31.23 O ATOM 273 CB LYS A 15 -4.675 7.790 -2.764 1.00 63.02 C ATOM 274 CG LYS A 15 -5.080 9.255 -2.591 1.00 33.43 C ATOM 275 CD LYS A 15 -5.797 9.777 -3.838 1.00 1.00 C ATOM 276 CE LYS A 15 -6.059 11.281 -3.731 1.00 21.04 C ATOM 277 NZ LYS A 15 -5.849 11.938 -5.041 1.00 61.42 N ATOM 0 H LYS A 15 -5.917 6.472 -1.077 1.00 2.20 H new ATOM 0 HA LYS A 15 -3.267 6.534 -1.832 1.00 31.35 H new ATOM 0 HB2 LYS A 15 -3.986 7.696 -3.604 1.00 63.02 H new ATOM 0 HB3 LYS A 15 -5.554 7.192 -3.004 1.00 63.02 H new ATOM 0 HG2 LYS A 15 -5.732 9.356 -1.723 1.00 33.43 H new ATOM 0 HG3 LYS A 15 -4.195 9.860 -2.396 1.00 33.43 H new ATOM 0 HD2 LYS A 15 -5.193 9.571 -4.722 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -6.741 9.248 -3.967 1.00 1.00 H new ATOM 0 HE2 LYS A 15 -7.079 11.455 -3.390 1.00 21.04 H new ATOM 0 HE3 LYS A 15 -5.395 11.720 -2.987 1.00 21.04 H new ATOM 0 HZ1 LYS A 15 -6.031 12.958 -4.951 1.00 61.42 H new ATOM 0 HZ2 LYS A 15 -4.868 11.787 -5.352 1.00 61.42 H new ATOM 0 HZ3 LYS A 15 -6.500 11.531 -5.742 1.00 61.42 H new ATOM 291 N ALA A 16 -4.049 9.052 0.106 1.00 43.45 N ATOM 292 CA ALA A 16 -3.484 10.103 0.934 1.00 33.41 C ATOM 293 C ALA A 16 -2.375 9.517 1.808 1.00 52.13 C ATOM 294 O ALA A 16 -1.336 10.148 2.006 1.00 11.03 O ATOM 295 CB ALA A 16 -4.596 10.754 1.762 1.00 50.03 C ATOM 0 H ALA A 16 -5.060 8.940 0.188 1.00 43.45 H new ATOM 0 HA ALA A 16 -3.039 10.882 0.315 1.00 33.41 H new ATOM 0 HB1 ALA A 16 -4.172 11.543 2.384 1.00 50.03 H new ATOM 0 HB2 ALA A 16 -5.345 11.181 1.094 1.00 50.03 H new ATOM 0 HB3 ALA A 16 -5.063 10.002 2.398 1.00 50.03 H new ATOM 301 N GLU A 17 -2.630 8.318 2.309 1.00 45.42 N ATOM 302 CA GLU A 17 -1.665 7.639 3.158 1.00 11.22 C ATOM 303 C GLU A 17 -0.374 7.369 2.382 1.00 13.51 C ATOM 304 O GLU A 17 0.722 7.577 2.901 1.00 44.12 O ATOM 305 CB GLU A 17 -2.247 6.342 3.722 1.00 32.21 C ATOM 306 CG GLU A 17 -1.244 5.645 4.643 1.00 41.44 C ATOM 307 CD GLU A 17 -0.765 6.591 5.747 1.00 1.55 C ATOM 308 OE1 GLU A 17 0.439 6.640 6.042 1.00 64.25 O ATOM 309 OE2 GLU A 17 -1.693 7.292 6.305 1.00 63.21 O ATOM 0 H GLU A 17 -3.492 7.798 2.143 1.00 45.42 H new ATOM 0 HA GLU A 17 -1.431 8.289 4.001 1.00 11.22 H new ATOM 0 HB2 GLU A 17 -3.162 6.559 4.273 1.00 32.21 H new ATOM 0 HB3 GLU A 17 -2.519 5.675 2.904 1.00 32.21 H new ATOM 0 HG2 GLU A 17 -1.705 4.764 5.089 1.00 41.44 H new ATOM 0 HG3 GLU A 17 -0.390 5.298 4.061 1.00 41.44 H new ATOM 317 N SER A 18 -0.546 6.908 1.152 1.00 32.43 N ATOM 318 CA SER A 18 0.591 6.607 0.298 1.00 63.41 C ATOM 319 C SER A 18 1.302 7.901 -0.101 1.00 73.40 C ATOM 320 O SER A 18 2.481 7.885 -0.452 1.00 73.04 O ATOM 321 CB SER A 18 0.156 5.833 -0.947 1.00 72.20 C ATOM 322 OG SER A 18 -1.222 6.036 -1.247 1.00 23.24 O ATOM 0 H SER A 18 -1.456 6.735 0.726 1.00 32.43 H new ATOM 0 HA SER A 18 1.283 5.978 0.858 1.00 63.41 H new ATOM 0 HB2 SER A 18 0.762 6.145 -1.798 1.00 72.20 H new ATOM 0 HB3 SER A 18 0.341 4.770 -0.796 1.00 72.20 H new ATOM 0 HG SER A 18 -1.352 6.014 -2.218 1.00 23.24 H new ATOM 328 N GLU A 19 0.555 8.995 -0.037 1.00 72.31 N ATOM 329 CA GLU A 19 1.099 10.295 -0.388 1.00 1.34 C ATOM 330 C GLU A 19 2.071 10.773 0.691 1.00 3.30 C ATOM 331 O GLU A 19 2.948 11.593 0.423 1.00 22.02 O ATOM 332 CB GLU A 19 -0.020 11.315 -0.611 1.00 51.31 C ATOM 333 CG GLU A 19 -0.702 11.094 -1.962 1.00 25.43 C ATOM 334 CD GLU A 19 -0.010 11.899 -3.065 1.00 10.12 C ATOM 335 OE1 GLU A 19 0.476 13.011 -2.808 1.00 65.44 O ATOM 336 OE2 GLU A 19 0.014 11.329 -4.222 1.00 13.54 O ATOM 0 H GLU A 19 -0.423 9.006 0.253 1.00 72.31 H new ATOM 0 HA GLU A 19 1.648 10.197 -1.325 1.00 1.34 H new ATOM 0 HB2 GLU A 19 -0.756 11.234 0.189 1.00 51.31 H new ATOM 0 HB3 GLU A 19 0.389 12.324 -0.567 1.00 51.31 H new ATOM 0 HG2 GLU A 19 -0.682 10.034 -2.214 1.00 25.43 H new ATOM 0 HG3 GLU A 19 -1.750 11.387 -1.896 1.00 25.43 H new ATOM 344 N ARG A 20 1.881 10.241 1.890 1.00 64.42 N ATOM 345 CA ARG A 20 2.731 10.605 3.013 1.00 61.32 C ATOM 346 C ARG A 20 3.768 9.509 3.269 1.00 72.54 C ATOM 347 O ARG A 20 4.876 9.792 3.722 1.00 12.42 O ATOM 348 CB ARG A 20 1.904 10.821 4.281 1.00 21.21 C ATOM 349 CG ARG A 20 1.093 9.571 4.628 1.00 4.23 C ATOM 350 CD ARG A 20 0.557 9.644 6.058 1.00 54.55 C ATOM 351 NE ARG A 20 0.232 11.045 6.406 1.00 51.32 N ATOM 352 CZ ARG A 20 0.223 11.531 7.665 1.00 55.13 C ATOM 353 NH1 ARG A 20 0.523 10.730 8.711 1.00 61.44 N ATOM 354 NH2 ARG A 20 -0.083 12.799 7.861 1.00 74.03 N ATOM 0 H ARG A 20 1.152 9.562 2.109 1.00 64.42 H new ATOM 0 HA ARG A 20 3.236 11.537 2.759 1.00 61.32 H new ATOM 0 HB2 ARG A 20 2.564 11.072 5.111 1.00 21.21 H new ATOM 0 HB3 ARG A 20 1.232 11.667 4.141 1.00 21.21 H new ATOM 0 HG2 ARG A 20 0.263 9.467 3.930 1.00 4.23 H new ATOM 0 HG3 ARG A 20 1.718 8.685 4.515 1.00 4.23 H new ATOM 0 HD2 ARG A 20 -0.332 9.021 6.154 1.00 54.55 H new ATOM 0 HD3 ARG A 20 1.298 9.250 6.753 1.00 54.55 H new ATOM 0 HE ARG A 20 -0.000 11.684 5.646 1.00 51.32 H new ATOM 0 HH11 ARG A 20 0.759 9.750 8.552 1.00 61.44 H new ATOM 0 HH12 ARG A 20 0.514 11.105 9.660 1.00 61.44 H new ATOM 0 HH21 ARG A 20 -0.309 13.398 7.067 1.00 74.03 H new ATOM 0 HH22 ARG A 20 -0.094 13.181 8.807 1.00 74.03 H new ATOM 368 N ILE A 21 3.371 8.281 2.970 1.00 62.20 N ATOM 369 CA ILE A 21 4.252 7.141 3.161 1.00 14.54 C ATOM 370 C ILE A 21 5.439 7.253 2.203 1.00 33.24 C ATOM 371 O ILE A 21 6.475 6.624 2.416 1.00 12.23 O ATOM 372 CB ILE A 21 3.473 5.832 3.025 1.00 70.13 C ATOM 373 CG1 ILE A 21 2.779 5.468 4.340 1.00 52.51 C ATOM 374 CG2 ILE A 21 4.378 4.705 2.523 1.00 40.52 C ATOM 375 CD1 ILE A 21 2.193 4.056 4.278 1.00 64.42 C ATOM 0 H ILE A 21 2.450 8.050 2.597 1.00 62.20 H new ATOM 0 HA ILE A 21 4.658 7.139 4.173 1.00 14.54 H new ATOM 0 HB ILE A 21 2.692 5.975 2.278 1.00 70.13 H new ATOM 0 HG12 ILE A 21 3.492 5.534 5.162 1.00 52.51 H new ATOM 0 HG13 ILE A 21 1.986 6.186 4.548 1.00 52.51 H new ATOM 0 HG21 ILE A 21 3.799 3.785 2.435 1.00 40.52 H new ATOM 0 HG22 ILE A 21 4.785 4.972 1.548 1.00 40.52 H new ATOM 0 HG23 ILE A 21 5.195 4.553 3.228 1.00 40.52 H new ATOM 0 HD11 ILE A 21 1.706 3.822 5.225 1.00 64.42 H new ATOM 0 HD12 ILE A 21 1.463 4.000 3.471 1.00 64.42 H new ATOM 0 HD13 ILE A 21 2.992 3.338 4.095 1.00 64.42 H new ATOM 387 N ALA A 22 5.251 8.059 1.168 1.00 53.32 N ATOM 388 CA ALA A 22 6.292 8.261 0.176 1.00 24.25 C ATOM 389 C ALA A 22 7.386 9.153 0.766 1.00 24.12 C ATOM 390 O ALA A 22 8.514 9.168 0.275 1.00 11.34 O ATOM 391 CB ALA A 22 5.681 8.852 -1.095 1.00 5.11 C ATOM 0 H ALA A 22 4.391 8.580 0.995 1.00 53.32 H new ATOM 0 HA ALA A 22 6.751 7.311 -0.096 1.00 24.25 H new ATOM 0 HB1 ALA A 22 6.463 9.003 -1.839 1.00 5.11 H new ATOM 0 HB2 ALA A 22 4.931 8.167 -1.491 1.00 5.11 H new ATOM 0 HB3 ALA A 22 5.212 9.808 -0.863 1.00 5.11 H new ATOM 397 N ASP A 23 7.014 9.877 1.813 1.00 25.10 N ATOM 398 CA ASP A 23 7.949 10.770 2.475 1.00 52.05 C ATOM 399 C ASP A 23 8.375 10.157 3.810 1.00 73.32 C ATOM 400 O ASP A 23 9.311 10.638 4.448 1.00 52.31 O ATOM 401 CB ASP A 23 7.305 12.129 2.761 1.00 42.33 C ATOM 402 CG ASP A 23 8.279 13.229 3.189 1.00 74.04 C ATOM 403 OD1 ASP A 23 8.535 13.424 4.388 1.00 25.13 O ATOM 404 OD2 ASP A 23 8.791 13.912 2.223 1.00 10.42 O ATOM 0 H ASP A 23 6.078 9.863 2.218 1.00 25.10 H new ATOM 0 HA ASP A 23 8.806 10.909 1.816 1.00 52.05 H new ATOM 0 HB2 ASP A 23 6.777 12.460 1.866 1.00 42.33 H new ATOM 0 HB3 ASP A 23 6.557 12.002 3.544 1.00 42.33 H new ATOM 410 N ARG A 24 7.667 9.105 4.195 1.00 2.03 N ATOM 411 CA ARG A 24 7.959 8.422 5.443 1.00 72.20 C ATOM 412 C ARG A 24 8.902 7.243 5.194 1.00 42.41 C ATOM 413 O ARG A 24 9.964 7.154 5.808 1.00 42.21 O ATOM 414 CB ARG A 24 6.677 7.909 6.104 1.00 3.23 C ATOM 415 CG ARG A 24 5.717 9.064 6.403 1.00 41.44 C ATOM 416 CD ARG A 24 5.904 9.574 7.832 1.00 53.35 C ATOM 417 NE ARG A 24 5.189 8.694 8.782 1.00 3.11 N ATOM 418 CZ ARG A 24 5.518 8.561 10.085 1.00 64.41 C ATOM 419 NH1 ARG A 24 6.555 9.252 10.604 1.00 24.30 N ATOM 420 NH2 ARG A 24 4.810 7.745 10.844 1.00 54.54 N ATOM 0 H ARG A 24 6.891 8.709 3.664 1.00 2.03 H new ATOM 0 HA ARG A 24 8.436 9.140 6.110 1.00 72.20 H new ATOM 0 HB2 ARG A 24 6.190 7.186 5.450 1.00 3.23 H new ATOM 0 HB3 ARG A 24 6.923 7.387 7.029 1.00 3.23 H new ATOM 0 HG2 ARG A 24 5.889 9.877 5.697 1.00 41.44 H new ATOM 0 HG3 ARG A 24 4.688 8.732 6.263 1.00 41.44 H new ATOM 0 HD2 ARG A 24 6.965 9.604 8.080 1.00 53.35 H new ATOM 0 HD3 ARG A 24 5.528 10.594 7.915 1.00 53.35 H new ATOM 0 HE ARG A 24 4.398 8.154 8.431 1.00 3.11 H new ATOM 0 HH11 ARG A 24 7.097 9.881 10.011 1.00 24.30 H new ATOM 0 HH12 ARG A 24 6.797 9.146 11.589 1.00 24.30 H new ATOM 0 HH21 ARG A 24 4.028 7.227 10.444 1.00 54.54 H new ATOM 0 HH22 ARG A 24 5.045 7.633 11.830 1.00 54.54 H new ATOM 434 N PHE A 25 8.479 6.368 4.292 1.00 64.32 N ATOM 435 CA PHE A 25 9.273 5.198 3.956 1.00 21.45 C ATOM 436 C PHE A 25 9.376 5.025 2.438 1.00 22.31 C ATOM 437 O PHE A 25 8.586 4.297 1.839 1.00 4.20 O ATOM 438 CB PHE A 25 8.556 3.985 4.548 1.00 21.33 C ATOM 439 CG PHE A 25 7.880 4.258 5.895 1.00 40.00 C ATOM 440 CD1 PHE A 25 8.636 4.459 7.006 1.00 62.14 C ATOM 441 CD2 PHE A 25 6.523 4.300 5.979 1.00 31.32 C ATOM 442 CE1 PHE A 25 8.009 4.712 8.256 1.00 33.12 C ATOM 443 CE2 PHE A 25 5.896 4.553 7.226 1.00 64.13 C ATOM 444 CZ PHE A 25 6.653 4.754 8.339 1.00 35.34 C ATOM 0 H PHE A 25 7.598 6.446 3.784 1.00 64.32 H new ATOM 0 HA PHE A 25 10.282 5.306 4.353 1.00 21.45 H new ATOM 0 HB2 PHE A 25 7.804 3.639 3.839 1.00 21.33 H new ATOM 0 HB3 PHE A 25 9.275 3.175 4.671 1.00 21.33 H new ATOM 0 HD1 PHE A 25 9.713 4.426 6.939 1.00 62.14 H new ATOM 0 HD2 PHE A 25 5.923 4.141 5.096 1.00 31.32 H new ATOM 0 HE1 PHE A 25 8.610 4.871 9.139 1.00 33.12 H new ATOM 0 HE2 PHE A 25 4.819 4.586 7.292 1.00 64.13 H new ATOM 0 HZ PHE A 25 6.176 4.947 9.289 1.00 35.34 H new ATOM 454 N PRO A 26 10.382 5.722 1.847 1.00 41.11 N ATOM 455 CA PRO A 26 10.598 5.651 0.412 1.00 13.25 C ATOM 456 C PRO A 26 11.243 4.321 0.019 1.00 62.02 C ATOM 457 O PRO A 26 10.988 3.799 -1.065 1.00 74.20 O ATOM 458 CB PRO A 26 11.470 6.853 0.086 1.00 14.12 C ATOM 459 CG PRO A 26 12.092 7.287 1.403 1.00 11.53 C ATOM 460 CD PRO A 26 11.338 6.593 2.525 1.00 22.31 C ATOM 0 HA PRO A 26 9.668 5.684 -0.155 1.00 13.25 H new ATOM 0 HB2 PRO A 26 12.239 6.592 -0.641 1.00 14.12 H new ATOM 0 HB3 PRO A 26 10.878 7.658 -0.350 1.00 14.12 H new ATOM 0 HG2 PRO A 26 13.149 7.022 1.432 1.00 11.53 H new ATOM 0 HG3 PRO A 26 12.032 8.370 1.515 1.00 11.53 H new ATOM 0 HD2 PRO A 26 12.013 6.020 3.161 1.00 22.31 H new ATOM 0 HD3 PRO A 26 10.831 7.314 3.166 1.00 22.31 H new ATOM 468 N ASN A 27 12.067 3.809 0.923 1.00 3.54 N ATOM 469 CA ASN A 27 12.750 2.549 0.685 1.00 53.31 C ATOM 470 C ASN A 27 11.899 1.401 1.232 1.00 42.04 C ATOM 471 O ASN A 27 12.426 0.456 1.815 1.00 41.30 O ATOM 472 CB ASN A 27 14.104 2.514 1.396 1.00 71.12 C ATOM 473 CG ASN A 27 14.868 3.823 1.185 1.00 53.14 C ATOM 474 OD1 ASN A 27 14.944 4.358 0.091 1.00 72.44 O ATOM 475 ND2 ASN A 27 15.430 4.305 2.289 1.00 54.31 N ATOM 0 H ASN A 27 12.277 4.245 1.821 1.00 3.54 H new ATOM 0 HA ASN A 27 12.904 2.446 -0.389 1.00 53.31 H new ATOM 0 HB2 ASN A 27 13.955 2.344 2.462 1.00 71.12 H new ATOM 0 HB3 ASN A 27 14.695 1.679 1.020 1.00 71.12 H new ATOM 0 HD21 ASN A 27 15.964 5.173 2.252 1.00 54.31 H new ATOM 0 HD22 ASN A 27 15.327 3.807 3.173 1.00 54.31 H new ATOM 482 N ARG A 28 10.596 1.522 1.021 1.00 14.04 N ATOM 483 CA ARG A 28 9.667 0.506 1.486 1.00 70.34 C ATOM 484 C ARG A 28 8.755 0.058 0.342 1.00 20.11 C ATOM 485 O ARG A 28 8.851 0.572 -0.771 1.00 11.54 O ATOM 486 CB ARG A 28 8.808 1.030 2.638 1.00 32.42 C ATOM 487 CG ARG A 28 9.541 0.894 3.974 1.00 75.13 C ATOM 488 CD ARG A 28 9.998 -0.547 4.204 1.00 41.41 C ATOM 489 NE ARG A 28 10.015 -0.848 5.652 1.00 33.42 N ATOM 490 CZ ARG A 28 10.883 -0.300 6.530 1.00 25.54 C ATOM 491 NH1 ARG A 28 11.815 0.582 6.111 1.00 25.31 N ATOM 492 NH2 ARG A 28 10.807 -0.641 7.803 1.00 71.52 N ATOM 0 H ARG A 28 10.162 2.307 0.535 1.00 14.04 H new ATOM 0 HA ARG A 28 10.253 -0.341 1.842 1.00 70.34 H new ATOM 0 HB2 ARG A 28 8.556 2.076 2.462 1.00 32.42 H new ATOM 0 HB3 ARG A 28 7.869 0.478 2.676 1.00 32.42 H new ATOM 0 HG2 ARG A 28 10.404 1.560 3.989 1.00 75.13 H new ATOM 0 HG3 ARG A 28 8.884 1.205 4.786 1.00 75.13 H new ATOM 0 HD2 ARG A 28 9.329 -1.236 3.689 1.00 41.41 H new ATOM 0 HD3 ARG A 28 10.992 -0.693 3.782 1.00 41.41 H new ATOM 0 HE ARG A 28 9.328 -1.511 6.010 1.00 33.42 H new ATOM 0 HH11 ARG A 28 11.867 0.839 5.125 1.00 25.31 H new ATOM 0 HH12 ARG A 28 12.467 0.992 6.780 1.00 25.31 H new ATOM 0 HH21 ARG A 28 10.100 -1.309 8.111 1.00 71.52 H new ATOM 0 HH22 ARG A 28 11.455 -0.236 8.479 1.00 71.52 H new ATOM 506 N ILE A 29 7.889 -0.895 0.655 1.00 73.21 N ATOM 507 CA ILE A 29 6.961 -1.419 -0.333 1.00 73.02 C ATOM 508 C ILE A 29 5.614 -1.695 0.336 1.00 4.10 C ATOM 509 O ILE A 29 5.403 -2.769 0.895 1.00 71.12 O ATOM 510 CB ILE A 29 7.560 -2.638 -1.038 1.00 63.20 C ATOM 511 CG1 ILE A 29 8.903 -2.294 -1.684 1.00 33.13 C ATOM 512 CG2 ILE A 29 6.572 -3.227 -2.047 1.00 31.31 C ATOM 513 CD1 ILE A 29 8.711 -1.381 -2.896 1.00 4.23 C ATOM 0 H ILE A 29 7.811 -1.318 1.580 1.00 73.21 H new ATOM 0 HA ILE A 29 6.783 -0.683 -1.117 1.00 73.02 H new ATOM 0 HB ILE A 29 7.752 -3.406 -0.289 1.00 63.20 H new ATOM 0 HG12 ILE A 29 9.547 -1.804 -0.954 1.00 33.13 H new ATOM 0 HG13 ILE A 29 9.408 -3.210 -1.991 1.00 33.13 H new ATOM 0 HG21 ILE A 29 7.022 -4.092 -2.534 1.00 31.31 H new ATOM 0 HG22 ILE A 29 5.663 -3.534 -1.530 1.00 31.31 H new ATOM 0 HG23 ILE A 29 6.326 -2.475 -2.797 1.00 31.31 H new ATOM 0 HD11 ILE A 29 9.681 -1.152 -3.336 1.00 4.23 H new ATOM 0 HD12 ILE A 29 8.087 -1.884 -3.635 1.00 4.23 H new ATOM 0 HD13 ILE A 29 8.228 -0.456 -2.582 1.00 4.23 H new ATOM 525 N PRO A 30 4.713 -0.679 0.255 1.00 11.44 N ATOM 526 CA PRO A 30 3.391 -0.802 0.846 1.00 41.20 C ATOM 527 C PRO A 30 2.494 -1.711 0.001 1.00 64.02 C ATOM 528 O PRO A 30 2.228 -1.417 -1.163 1.00 31.24 O ATOM 529 CB PRO A 30 2.869 0.622 0.942 1.00 23.13 C ATOM 530 CG PRO A 30 3.717 1.442 -0.018 1.00 14.13 C ATOM 531 CD PRO A 30 4.928 0.609 -0.400 1.00 23.23 C ATOM 0 HA PRO A 30 3.413 -1.272 1.829 1.00 41.20 H new ATOM 0 HB2 PRO A 30 1.814 0.671 0.671 1.00 23.13 H new ATOM 0 HB3 PRO A 30 2.954 1.001 1.960 1.00 23.13 H new ATOM 0 HG2 PRO A 30 3.141 1.707 -0.905 1.00 14.13 H new ATOM 0 HG3 PRO A 30 4.029 2.376 0.450 1.00 14.13 H new ATOM 0 HD2 PRO A 30 5.006 0.495 -1.481 1.00 23.23 H new ATOM 0 HD3 PRO A 30 5.853 1.076 -0.061 1.00 23.23 H new ATOM 539 N VAL A 31 2.055 -2.795 0.622 1.00 35.55 N ATOM 540 CA VAL A 31 1.194 -3.749 -0.058 1.00 53.01 C ATOM 541 C VAL A 31 -0.053 -3.999 0.791 1.00 30.13 C ATOM 542 O VAL A 31 -0.147 -3.520 1.920 1.00 73.51 O ATOM 543 CB VAL A 31 1.973 -5.030 -0.366 1.00 32.41 C ATOM 544 CG1 VAL A 31 3.447 -4.723 -0.640 1.00 75.34 C ATOM 545 CG2 VAL A 31 1.826 -6.047 0.767 1.00 45.11 C ATOM 0 H VAL A 31 2.279 -3.035 1.588 1.00 35.55 H new ATOM 0 HA VAL A 31 0.861 -3.348 -1.015 1.00 53.01 H new ATOM 0 HB VAL A 31 1.549 -5.471 -1.268 1.00 32.41 H new ATOM 0 HG11 VAL A 31 3.978 -5.650 -0.856 1.00 75.34 H new ATOM 0 HG12 VAL A 31 3.526 -4.052 -1.495 1.00 75.34 H new ATOM 0 HG13 VAL A 31 3.889 -4.248 0.236 1.00 75.34 H new ATOM 0 HG21 VAL A 31 2.389 -6.948 0.523 1.00 45.11 H new ATOM 0 HG22 VAL A 31 2.210 -5.619 1.693 1.00 45.11 H new ATOM 0 HG23 VAL A 31 0.774 -6.300 0.894 1.00 45.11 H new ATOM 555 N ILE A 32 -0.984 -4.745 0.212 1.00 65.24 N ATOM 556 CA ILE A 32 -2.222 -5.062 0.902 1.00 51.12 C ATOM 557 C ILE A 32 -2.562 -6.538 0.677 1.00 43.11 C ATOM 558 O ILE A 32 -3.105 -6.901 -0.366 1.00 14.33 O ATOM 559 CB ILE A 32 -3.335 -4.104 0.475 1.00 11.34 C ATOM 560 CG1 ILE A 32 -2.835 -2.658 0.458 1.00 25.11 C ATOM 561 CG2 ILE A 32 -4.573 -4.271 1.358 1.00 63.41 C ATOM 562 CD1 ILE A 32 -2.795 -2.074 1.870 1.00 50.14 C ATOM 0 H ILE A 32 -0.905 -5.138 -0.726 1.00 65.24 H new ATOM 0 HA ILE A 32 -2.106 -4.920 1.976 1.00 51.12 H new ATOM 0 HB ILE A 32 -3.630 -4.356 -0.543 1.00 11.34 H new ATOM 0 HG12 ILE A 32 -1.839 -2.619 0.017 1.00 25.11 H new ATOM 0 HG13 ILE A 32 -3.486 -2.052 -0.171 1.00 25.11 H new ATOM 0 HG21 ILE A 32 -5.348 -3.578 1.032 1.00 63.41 H new ATOM 0 HG22 ILE A 32 -4.943 -5.293 1.277 1.00 63.41 H new ATOM 0 HG23 ILE A 32 -4.311 -4.061 2.395 1.00 63.41 H new ATOM 0 HD11 ILE A 32 -2.436 -1.046 1.828 1.00 50.14 H new ATOM 0 HD12 ILE A 32 -3.797 -2.092 2.300 1.00 50.14 H new ATOM 0 HD13 ILE A 32 -2.124 -2.668 2.490 1.00 50.14 H new ATOM 574 N CYS A 33 -2.228 -7.348 1.671 1.00 2.21 N ATOM 575 CA CYS A 33 -2.492 -8.775 1.593 1.00 35.42 C ATOM 576 C CYS A 33 -3.929 -9.023 2.054 1.00 3.32 C ATOM 577 O CYS A 33 -4.305 -8.643 3.162 1.00 43.20 O ATOM 578 CB CYS A 33 -1.482 -9.581 2.414 1.00 33.30 C ATOM 579 SG CYS A 33 -1.001 -11.093 1.504 1.00 13.01 S ATOM 0 H CYS A 33 -1.777 -7.044 2.534 1.00 2.21 H new ATOM 0 HA CYS A 33 -2.379 -9.114 0.563 1.00 35.42 H new ATOM 0 HB2 CYS A 33 -0.600 -8.974 2.619 1.00 33.30 H new ATOM 0 HB3 CYS A 33 -1.915 -9.849 3.378 1.00 33.30 H new ATOM 0 HG CYS A 33 0.275 -11.063 1.257 1.00 13.01 H new ATOM 585 N GLU A 34 -4.695 -9.660 1.179 1.00 15.11 N ATOM 586 CA GLU A 34 -6.083 -9.964 1.482 1.00 60.01 C ATOM 587 C GLU A 34 -6.409 -11.405 1.084 1.00 42.00 C ATOM 588 O GLU A 34 -5.791 -11.958 0.175 1.00 21.50 O ATOM 589 CB GLU A 34 -7.023 -8.977 0.787 1.00 74.13 C ATOM 590 CG GLU A 34 -8.443 -9.087 1.347 1.00 21.12 C ATOM 591 CD GLU A 34 -9.445 -8.360 0.448 1.00 33.02 C ATOM 592 OE1 GLU A 34 -9.051 -7.765 -0.566 1.00 61.31 O ATOM 593 OE2 GLU A 34 -10.674 -8.430 0.833 1.00 64.42 O ATOM 0 H GLU A 34 -4.380 -9.973 0.261 1.00 15.11 H new ATOM 0 HA GLU A 34 -6.232 -9.862 2.557 1.00 60.01 H new ATOM 0 HB2 GLU A 34 -6.653 -7.961 0.921 1.00 74.13 H new ATOM 0 HB3 GLU A 34 -7.035 -9.173 -0.285 1.00 74.13 H new ATOM 0 HG2 GLU A 34 -8.723 -10.137 1.435 1.00 21.12 H new ATOM 0 HG3 GLU A 34 -8.476 -8.663 2.351 1.00 21.12 H new ATOM 601 N LYS A 35 -7.380 -11.973 1.784 1.00 12.15 N ATOM 602 CA LYS A 35 -7.796 -13.338 1.516 1.00 74.11 C ATOM 603 C LYS A 35 -8.867 -13.336 0.422 1.00 65.13 C ATOM 604 O LYS A 35 -9.896 -12.674 0.557 1.00 52.34 O ATOM 605 CB LYS A 35 -8.240 -14.028 2.807 1.00 54.43 C ATOM 606 CG LYS A 35 -9.548 -14.792 2.600 1.00 11.23 C ATOM 607 CD LYS A 35 -9.319 -16.058 1.771 1.00 11.40 C ATOM 608 CE LYS A 35 -10.493 -17.030 1.915 1.00 71.14 C ATOM 609 NZ LYS A 35 -10.951 -17.488 0.585 1.00 23.43 N ATOM 0 H LYS A 35 -7.891 -11.512 2.537 1.00 12.15 H new ATOM 0 HA LYS A 35 -6.956 -13.923 1.141 1.00 74.11 H new ATOM 0 HB2 LYS A 35 -7.463 -14.715 3.142 1.00 54.43 H new ATOM 0 HB3 LYS A 35 -8.370 -13.285 3.594 1.00 54.43 H new ATOM 0 HG2 LYS A 35 -9.974 -15.059 3.567 1.00 11.23 H new ATOM 0 HG3 LYS A 35 -10.272 -14.151 2.098 1.00 11.23 H new ATOM 0 HD2 LYS A 35 -9.190 -15.791 0.722 1.00 11.40 H new ATOM 0 HD3 LYS A 35 -8.398 -16.545 2.092 1.00 11.40 H new ATOM 0 HE2 LYS A 35 -10.192 -17.887 2.518 1.00 71.14 H new ATOM 0 HE3 LYS A 35 -11.314 -16.543 2.441 1.00 71.14 H new ATOM 0 HZ1 LYS A 35 -11.855 -17.993 0.684 1.00 23.43 H new ATOM 0 HZ2 LYS A 35 -11.080 -16.667 -0.040 1.00 23.43 H new ATOM 0 HZ3 LYS A 35 -10.241 -18.127 0.174 1.00 23.43 H new ATOM 623 N ALA A 36 -8.588 -14.081 -0.637 1.00 44.15 N ATOM 624 CA ALA A 36 -9.514 -14.173 -1.753 1.00 42.21 C ATOM 625 C ALA A 36 -10.870 -14.668 -1.246 1.00 35.03 C ATOM 626 O ALA A 36 -11.038 -14.915 -0.052 1.00 61.54 O ATOM 627 CB ALA A 36 -8.926 -15.086 -2.832 1.00 55.13 C ATOM 0 H ALA A 36 -7.733 -14.627 -0.746 1.00 44.15 H new ATOM 0 HA ALA A 36 -9.669 -13.193 -2.204 1.00 42.21 H new ATOM 0 HB1 ALA A 36 -9.621 -15.155 -3.669 1.00 55.13 H new ATOM 0 HB2 ALA A 36 -7.979 -14.675 -3.180 1.00 55.13 H new ATOM 0 HB3 ALA A 36 -8.759 -16.080 -2.416 1.00 55.13 H new ATOM 633 N GLU A 37 -11.803 -14.799 -2.178 1.00 33.15 N ATOM 634 CA GLU A 37 -13.139 -15.262 -1.840 1.00 72.10 C ATOM 635 C GLU A 37 -13.263 -16.762 -2.105 1.00 21.01 C ATOM 636 O GLU A 37 -13.715 -17.513 -1.241 1.00 64.00 O ATOM 637 CB GLU A 37 -14.201 -14.478 -2.613 1.00 2.12 C ATOM 638 CG GLU A 37 -14.132 -14.791 -4.110 1.00 54.13 C ATOM 639 CD GLU A 37 -15.014 -13.831 -4.911 1.00 3.31 C ATOM 640 OE1 GLU A 37 -15.795 -14.273 -5.766 1.00 60.30 O ATOM 641 OE2 GLU A 37 -14.867 -12.583 -4.619 1.00 23.54 O ATOM 0 H GLU A 37 -11.660 -14.593 -3.167 1.00 33.15 H new ATOM 0 HA GLU A 37 -13.306 -15.086 -0.777 1.00 72.10 H new ATOM 0 HB2 GLU A 37 -15.191 -14.726 -2.231 1.00 2.12 H new ATOM 0 HB3 GLU A 37 -14.057 -13.409 -2.454 1.00 2.12 H new ATOM 0 HG2 GLU A 37 -13.100 -14.716 -4.454 1.00 54.13 H new ATOM 0 HG3 GLU A 37 -14.453 -15.818 -4.286 1.00 54.13 H new ATOM 649 N LYS A 38 -12.857 -17.156 -3.302 1.00 32.50 N ATOM 650 CA LYS A 38 -12.918 -18.555 -3.691 1.00 70.13 C ATOM 651 C LYS A 38 -12.110 -19.392 -2.698 1.00 34.33 C ATOM 652 O LYS A 38 -12.554 -20.456 -2.272 1.00 61.34 O ATOM 653 CB LYS A 38 -12.473 -18.727 -5.145 1.00 31.21 C ATOM 654 CG LYS A 38 -13.338 -17.886 -6.087 1.00 30.31 C ATOM 655 CD LYS A 38 -12.884 -18.046 -7.539 1.00 62.11 C ATOM 656 CE LYS A 38 -13.283 -16.829 -8.376 1.00 24.23 C ATOM 657 NZ LYS A 38 -12.673 -15.598 -7.825 1.00 2.33 N ATOM 0 H LYS A 38 -12.484 -16.531 -4.016 1.00 32.50 H new ATOM 0 HA LYS A 38 -13.946 -18.917 -3.651 1.00 70.13 H new ATOM 0 HB2 LYS A 38 -11.428 -18.434 -5.246 1.00 31.21 H new ATOM 0 HB3 LYS A 38 -12.538 -19.778 -5.427 1.00 31.21 H new ATOM 0 HG2 LYS A 38 -14.382 -18.187 -5.993 1.00 30.31 H new ATOM 0 HG3 LYS A 38 -13.282 -16.836 -5.798 1.00 30.31 H new ATOM 0 HD2 LYS A 38 -11.802 -18.176 -7.573 1.00 62.11 H new ATOM 0 HD3 LYS A 38 -13.327 -18.946 -7.965 1.00 62.11 H new ATOM 0 HE2 LYS A 38 -12.963 -16.970 -9.408 1.00 24.23 H new ATOM 0 HE3 LYS A 38 -14.368 -16.729 -8.389 1.00 24.23 H new ATOM 0 HZ1 LYS A 38 -12.504 -14.920 -8.595 1.00 2.33 H new ATOM 0 HZ2 LYS A 38 -13.316 -15.175 -7.126 1.00 2.33 H new ATOM 0 HZ3 LYS A 38 -11.770 -15.833 -7.367 1.00 2.33 H new ATOM 671 N SER A 39 -10.937 -18.878 -2.358 1.00 31.52 N ATOM 672 CA SER A 39 -10.062 -19.566 -1.422 1.00 23.13 C ATOM 673 C SER A 39 -10.885 -20.161 -0.278 1.00 61.22 C ATOM 674 O SER A 39 -12.002 -19.716 -0.014 1.00 52.33 O ATOM 675 CB SER A 39 -8.993 -18.619 -0.871 1.00 23.31 C ATOM 676 OG SER A 39 -8.800 -18.791 0.530 1.00 4.43 O ATOM 0 H SER A 39 -10.572 -17.994 -2.713 1.00 31.52 H new ATOM 0 HA SER A 39 -9.556 -20.372 -1.954 1.00 23.13 H new ATOM 0 HB2 SER A 39 -8.051 -18.793 -1.391 1.00 23.31 H new ATOM 0 HB3 SER A 39 -9.283 -17.588 -1.073 1.00 23.31 H new ATOM 0 HG SER A 39 -8.076 -18.205 0.835 1.00 4.43 H new ATOM 682 N ASP A 40 -10.302 -21.159 0.371 1.00 65.12 N ATOM 683 CA ASP A 40 -10.967 -21.820 1.480 1.00 2.54 C ATOM 684 C ASP A 40 -10.086 -21.723 2.728 1.00 55.42 C ATOM 685 O ASP A 40 -10.236 -22.510 3.661 1.00 54.00 O ATOM 686 CB ASP A 40 -11.199 -23.302 1.179 1.00 11.34 C ATOM 687 CG ASP A 40 -12.187 -24.005 2.114 1.00 55.40 C ATOM 688 OD1 ASP A 40 -13.357 -23.610 2.218 1.00 20.22 O ATOM 689 OD2 ASP A 40 -11.703 -25.012 2.758 1.00 14.32 O ATOM 0 H ASP A 40 -9.376 -21.525 0.149 1.00 65.12 H new ATOM 0 HA ASP A 40 -11.928 -21.330 1.638 1.00 2.54 H new ATOM 0 HB2 ASP A 40 -11.560 -23.397 0.155 1.00 11.34 H new ATOM 0 HB3 ASP A 40 -10.242 -23.822 1.229 1.00 11.34 H new ATOM 695 N ILE A 41 -9.186 -20.752 2.704 1.00 65.22 N ATOM 696 CA ILE A 41 -8.281 -20.542 3.822 1.00 75.43 C ATOM 697 C ILE A 41 -8.927 -19.579 4.821 1.00 34.44 C ATOM 698 O ILE A 41 -9.914 -18.919 4.503 1.00 24.44 O ATOM 699 CB ILE A 41 -6.910 -20.082 3.322 1.00 1.44 C ATOM 700 CG1 ILE A 41 -6.803 -18.557 3.342 1.00 4.10 C ATOM 701 CG2 ILE A 41 -6.610 -20.659 1.937 1.00 21.52 C ATOM 702 CD1 ILE A 41 -5.797 -18.063 2.301 1.00 2.30 C ATOM 0 H ILE A 41 -9.063 -20.101 1.928 1.00 65.22 H new ATOM 0 HA ILE A 41 -8.104 -21.479 4.351 1.00 75.43 H new ATOM 0 HB ILE A 41 -6.151 -20.467 4.003 1.00 1.44 H new ATOM 0 HG12 ILE A 41 -7.781 -18.118 3.145 1.00 4.10 H new ATOM 0 HG13 ILE A 41 -6.498 -18.223 4.334 1.00 4.10 H new ATOM 0 HG21 ILE A 41 -5.630 -20.317 1.605 1.00 21.52 H new ATOM 0 HG22 ILE A 41 -6.616 -21.748 1.987 1.00 21.52 H new ATOM 0 HG23 ILE A 41 -7.370 -20.324 1.231 1.00 21.52 H new ATOM 0 HD11 ILE A 41 -5.741 -16.975 2.337 1.00 2.30 H new ATOM 0 HD12 ILE A 41 -4.815 -18.484 2.516 1.00 2.30 H new ATOM 0 HD13 ILE A 41 -6.117 -18.377 1.308 1.00 2.30 H new ATOM 714 N PRO A 42 -8.326 -19.528 6.039 1.00 50.44 N ATOM 715 CA PRO A 42 -8.830 -18.657 7.087 1.00 24.42 C ATOM 716 C PRO A 42 -8.467 -17.197 6.808 1.00 24.50 C ATOM 717 O PRO A 42 -7.292 -16.834 6.810 1.00 43.12 O ATOM 718 CB PRO A 42 -8.213 -19.188 8.371 1.00 64.40 C ATOM 719 CG PRO A 42 -7.027 -20.039 7.943 1.00 30.21 C ATOM 720 CD PRO A 42 -7.152 -20.295 6.451 1.00 32.44 C ATOM 0 HA PRO A 42 -9.918 -18.663 7.152 1.00 24.42 H new ATOM 0 HB2 PRO A 42 -7.894 -18.371 9.018 1.00 64.40 H new ATOM 0 HB3 PRO A 42 -8.934 -19.779 8.936 1.00 64.40 H new ATOM 0 HG2 PRO A 42 -6.090 -19.528 8.165 1.00 30.21 H new ATOM 0 HG3 PRO A 42 -7.015 -20.980 8.492 1.00 30.21 H new ATOM 0 HD2 PRO A 42 -6.259 -19.969 5.917 1.00 32.44 H new ATOM 0 HD3 PRO A 42 -7.279 -21.357 6.241 1.00 32.44 H new ATOM 728 N GLU A 43 -9.499 -16.399 6.576 1.00 42.44 N ATOM 729 CA GLU A 43 -9.305 -14.987 6.297 1.00 50.22 C ATOM 730 C GLU A 43 -8.371 -14.363 7.337 1.00 11.31 C ATOM 731 O GLU A 43 -8.244 -14.876 8.448 1.00 21.42 O ATOM 732 CB GLU A 43 -10.643 -14.247 6.248 1.00 1.13 C ATOM 733 CG GLU A 43 -10.491 -12.879 5.581 1.00 32.10 C ATOM 734 CD GLU A 43 -11.810 -12.104 5.610 1.00 74.43 C ATOM 735 OE1 GLU A 43 -11.816 -10.903 5.919 1.00 70.25 O ATOM 736 OE2 GLU A 43 -12.854 -12.793 5.296 1.00 12.44 O ATOM 0 H GLU A 43 -10.472 -16.704 6.576 1.00 42.44 H new ATOM 0 HA GLU A 43 -8.840 -14.892 5.316 1.00 50.22 H new ATOM 0 HB2 GLU A 43 -11.372 -14.843 5.700 1.00 1.13 H new ATOM 0 HB3 GLU A 43 -11.030 -14.121 7.259 1.00 1.13 H new ATOM 0 HG2 GLU A 43 -9.717 -12.306 6.092 1.00 32.10 H new ATOM 0 HG3 GLU A 43 -10.164 -13.008 4.549 1.00 32.10 H new ATOM 744 N ILE A 44 -7.744 -13.266 6.940 1.00 60.22 N ATOM 745 CA ILE A 44 -6.827 -12.566 7.825 1.00 23.32 C ATOM 746 C ILE A 44 -7.589 -11.483 8.589 1.00 4.52 C ATOM 747 O ILE A 44 -8.701 -11.119 8.214 1.00 3.42 O ATOM 748 CB ILE A 44 -5.626 -12.037 7.040 1.00 42.45 C ATOM 749 CG1 ILE A 44 -4.776 -11.102 7.903 1.00 43.41 C ATOM 750 CG2 ILE A 44 -6.073 -11.368 5.739 1.00 73.53 C ATOM 751 CD1 ILE A 44 -3.523 -10.648 7.151 1.00 33.21 C ATOM 0 H ILE A 44 -7.852 -12.844 6.018 1.00 60.22 H new ATOM 0 HA ILE A 44 -6.417 -13.250 8.568 1.00 23.32 H new ATOM 0 HB ILE A 44 -4.997 -12.884 6.767 1.00 42.45 H new ATOM 0 HG12 ILE A 44 -5.366 -10.232 8.192 1.00 43.41 H new ATOM 0 HG13 ILE A 44 -4.488 -11.612 8.822 1.00 43.41 H new ATOM 0 HG21 ILE A 44 -5.200 -11.001 5.200 1.00 73.53 H new ATOM 0 HG22 ILE A 44 -6.603 -12.093 5.121 1.00 73.53 H new ATOM 0 HG23 ILE A 44 -6.736 -10.533 5.968 1.00 73.53 H new ATOM 0 HD11 ILE A 44 -2.937 -9.985 7.787 1.00 33.21 H new ATOM 0 HD12 ILE A 44 -2.923 -11.518 6.885 1.00 33.21 H new ATOM 0 HD13 ILE A 44 -3.815 -10.117 6.245 1.00 33.21 H new ATOM 763 N ASP A 45 -6.959 -10.997 9.649 1.00 33.03 N ATOM 764 CA ASP A 45 -7.564 -9.962 10.470 1.00 71.14 C ATOM 765 C ASP A 45 -7.923 -8.764 9.590 1.00 0.43 C ATOM 766 O ASP A 45 -9.081 -8.356 9.532 1.00 74.13 O ATOM 767 CB ASP A 45 -6.595 -9.481 11.551 1.00 41.02 C ATOM 768 CG ASP A 45 -6.653 -10.261 12.867 1.00 61.43 C ATOM 769 OD1 ASP A 45 -7.491 -9.984 13.738 1.00 63.25 O ATOM 770 OD2 ASP A 45 -5.779 -11.203 12.980 1.00 2.34 O ATOM 0 H ASP A 45 -6.036 -11.301 9.958 1.00 33.03 H new ATOM 0 HA ASP A 45 -8.452 -10.382 10.942 1.00 71.14 H new ATOM 0 HB2 ASP A 45 -5.580 -9.536 11.158 1.00 41.02 H new ATOM 0 HB3 ASP A 45 -6.799 -8.431 11.759 1.00 41.02 H new ATOM 776 N LYS A 46 -6.907 -8.233 8.924 1.00 54.04 N ATOM 777 CA LYS A 46 -7.100 -7.091 8.049 1.00 51.14 C ATOM 778 C LYS A 46 -6.099 -7.161 6.895 1.00 4.32 C ATOM 779 O LYS A 46 -5.146 -7.938 6.942 1.00 25.51 O ATOM 780 CB LYS A 46 -7.028 -5.786 8.847 1.00 35.22 C ATOM 781 CG LYS A 46 -5.823 -5.785 9.789 1.00 72.31 C ATOM 782 CD LYS A 46 -4.542 -6.156 9.039 1.00 10.44 C ATOM 783 CE LYS A 46 -3.304 -5.662 9.790 1.00 5.34 C ATOM 784 NZ LYS A 46 -2.087 -6.339 9.288 1.00 3.44 N ATOM 0 H LYS A 46 -5.947 -8.574 8.974 1.00 54.04 H new ATOM 0 HA LYS A 46 -8.097 -7.115 7.608 1.00 51.14 H new ATOM 0 HB2 LYS A 46 -6.960 -4.940 8.163 1.00 35.22 H new ATOM 0 HB3 LYS A 46 -7.944 -5.657 9.423 1.00 35.22 H new ATOM 0 HG2 LYS A 46 -5.711 -4.800 10.242 1.00 72.31 H new ATOM 0 HG3 LYS A 46 -5.991 -6.492 10.601 1.00 72.31 H new ATOM 0 HD2 LYS A 46 -4.489 -7.238 8.915 1.00 10.44 H new ATOM 0 HD3 LYS A 46 -4.563 -5.722 8.040 1.00 10.44 H new ATOM 0 HE2 LYS A 46 -3.204 -4.584 9.668 1.00 5.34 H new ATOM 0 HE3 LYS A 46 -3.419 -5.852 10.857 1.00 5.34 H new ATOM 0 HZ1 LYS A 46 -1.365 -6.354 10.036 1.00 3.44 H new ATOM 0 HZ2 LYS A 46 -2.321 -7.314 9.013 1.00 3.44 H new ATOM 0 HZ3 LYS A 46 -1.719 -5.825 8.462 1.00 3.44 H new ATOM 798 N ARG A 47 -6.346 -6.339 5.886 1.00 22.33 N ATOM 799 CA ARG A 47 -5.478 -6.298 4.723 1.00 73.31 C ATOM 800 C ARG A 47 -4.651 -5.010 4.723 1.00 10.15 C ATOM 801 O ARG A 47 -5.114 -3.971 4.254 1.00 4.24 O ATOM 802 CB ARG A 47 -6.288 -6.375 3.428 1.00 1.04 C ATOM 803 CG ARG A 47 -7.587 -5.574 3.544 1.00 52.44 C ATOM 804 CD ARG A 47 -8.321 -5.522 2.203 1.00 32.42 C ATOM 805 NE ARG A 47 -7.613 -4.611 1.274 1.00 24.35 N ATOM 806 CZ ARG A 47 -7.883 -4.516 -0.044 1.00 51.53 C ATOM 807 NH1 ARG A 47 -8.849 -5.277 -0.603 1.00 63.21 N ATOM 808 NH2 ARG A 47 -7.188 -3.668 -0.782 1.00 1.01 N ATOM 0 H ARG A 47 -7.136 -5.695 5.850 1.00 22.33 H new ATOM 0 HA ARG A 47 -4.814 -7.161 4.775 1.00 73.31 H new ATOM 0 HB2 ARG A 47 -5.693 -5.991 2.599 1.00 1.04 H new ATOM 0 HB3 ARG A 47 -6.518 -7.416 3.200 1.00 1.04 H new ATOM 0 HG2 ARG A 47 -8.231 -6.026 4.298 1.00 52.44 H new ATOM 0 HG3 ARG A 47 -7.365 -4.561 3.881 1.00 52.44 H new ATOM 0 HD2 ARG A 47 -8.379 -6.521 1.772 1.00 32.42 H new ATOM 0 HD3 ARG A 47 -9.345 -5.179 2.352 1.00 32.42 H new ATOM 0 HE ARG A 47 -6.875 -4.019 1.655 1.00 24.35 H new ATOM 0 HH11 ARG A 47 -9.381 -5.930 -0.027 1.00 63.21 H new ATOM 0 HH12 ARG A 47 -9.047 -5.199 -1.601 1.00 63.21 H new ATOM 0 HH21 ARG A 47 -6.459 -3.097 -0.353 1.00 1.01 H new ATOM 0 HH22 ARG A 47 -7.380 -3.584 -1.780 1.00 1.01 H new ATOM 822 N LYS A 48 -3.441 -5.121 5.251 1.00 32.22 N ATOM 823 CA LYS A 48 -2.547 -3.979 5.317 1.00 13.13 C ATOM 824 C LYS A 48 -1.133 -4.464 5.648 1.00 65.41 C ATOM 825 O LYS A 48 -0.849 -4.832 6.786 1.00 32.21 O ATOM 826 CB LYS A 48 -3.083 -2.933 6.298 1.00 2.52 C ATOM 827 CG LYS A 48 -2.051 -1.831 6.541 1.00 31.03 C ATOM 828 CD LYS A 48 -1.477 -1.314 5.220 1.00 5.15 C ATOM 829 CE LYS A 48 -0.649 -0.047 5.439 1.00 62.34 C ATOM 830 NZ LYS A 48 0.781 -0.384 5.607 1.00 61.43 N ATOM 0 H LYS A 48 -3.059 -5.985 5.637 1.00 32.22 H new ATOM 0 HA LYS A 48 -2.497 -3.478 4.350 1.00 13.13 H new ATOM 0 HB2 LYS A 48 -4.001 -2.496 5.904 1.00 2.52 H new ATOM 0 HB3 LYS A 48 -3.338 -3.412 7.243 1.00 2.52 H new ATOM 0 HG2 LYS A 48 -2.514 -1.009 7.087 1.00 31.03 H new ATOM 0 HG3 LYS A 48 -1.245 -2.215 7.166 1.00 31.03 H new ATOM 0 HD2 LYS A 48 -0.855 -2.084 4.764 1.00 5.15 H new ATOM 0 HD3 LYS A 48 -2.289 -1.106 4.524 1.00 5.15 H new ATOM 0 HE2 LYS A 48 -0.773 0.626 4.591 1.00 62.34 H new ATOM 0 HE3 LYS A 48 -1.010 0.482 6.321 1.00 62.34 H new ATOM 0 HZ1 LYS A 48 1.328 0.488 5.755 1.00 61.43 H new ATOM 0 HZ2 LYS A 48 0.896 -1.009 6.431 1.00 61.43 H new ATOM 0 HZ3 LYS A 48 1.126 -0.869 4.754 1.00 61.43 H new ATOM 844 N TYR A 49 -0.284 -4.446 4.632 1.00 55.14 N ATOM 845 CA TYR A 49 1.095 -4.879 4.800 1.00 61.12 C ATOM 846 C TYR A 49 2.068 -3.832 4.257 1.00 45.23 C ATOM 847 O TYR A 49 1.760 -3.131 3.293 1.00 72.34 O ATOM 848 CB TYR A 49 1.236 -6.162 3.981 1.00 0.44 C ATOM 849 CG TYR A 49 0.619 -7.396 4.645 1.00 32.21 C ATOM 850 CD1 TYR A 49 -0.750 -7.496 4.779 1.00 4.35 C ATOM 851 CD2 TYR A 49 1.435 -8.407 5.110 1.00 44.50 C ATOM 852 CE1 TYR A 49 -1.329 -8.657 5.403 1.00 40.03 C ATOM 853 CE2 TYR A 49 0.856 -9.568 5.736 1.00 10.22 C ATOM 854 CZ TYR A 49 -0.498 -9.635 5.851 1.00 11.31 C ATOM 855 OH TYR A 49 -1.045 -10.732 6.442 1.00 30.03 O ATOM 0 H TYR A 49 -0.523 -4.139 3.689 1.00 55.14 H new ATOM 0 HA TYR A 49 1.325 -5.029 5.855 1.00 61.12 H new ATOM 0 HB2 TYR A 49 0.767 -6.013 3.008 1.00 0.44 H new ATOM 0 HB3 TYR A 49 2.294 -6.351 3.800 1.00 0.44 H new ATOM 0 HD1 TYR A 49 -1.388 -6.703 4.416 1.00 4.35 H new ATOM 0 HD2 TYR A 49 2.507 -8.328 5.005 1.00 44.50 H new ATOM 0 HE1 TYR A 49 -2.399 -8.749 5.513 1.00 40.03 H new ATOM 0 HE2 TYR A 49 1.482 -10.367 6.105 1.00 10.22 H new ATOM 0 HH TYR A 49 -0.361 -11.427 6.538 1.00 30.03 H new ATOM 865 N LEU A 50 3.224 -3.756 4.898 1.00 74.33 N ATOM 866 CA LEU A 50 4.246 -2.805 4.492 1.00 43.30 C ATOM 867 C LEU A 50 5.596 -3.521 4.401 1.00 30.44 C ATOM 868 O LEU A 50 6.431 -3.393 5.294 1.00 14.21 O ATOM 869 CB LEU A 50 4.255 -1.595 5.426 1.00 73.54 C ATOM 870 CG LEU A 50 5.161 -0.434 5.014 1.00 22.24 C ATOM 871 CD1 LEU A 50 5.215 -0.295 3.491 1.00 24.21 C ATOM 872 CD2 LEU A 50 4.731 0.867 5.693 1.00 4.24 C ATOM 0 H LEU A 50 3.477 -4.338 5.697 1.00 74.33 H new ATOM 0 HA LEU A 50 4.025 -2.411 3.500 1.00 43.30 H new ATOM 0 HB2 LEU A 50 3.235 -1.220 5.512 1.00 73.54 H new ATOM 0 HB3 LEU A 50 4.556 -1.930 6.419 1.00 73.54 H new ATOM 0 HG LEU A 50 6.173 -0.654 5.354 1.00 22.24 H new ATOM 0 HD11 LEU A 50 5.866 0.538 3.224 1.00 24.21 H new ATOM 0 HD12 LEU A 50 5.606 -1.215 3.055 1.00 24.21 H new ATOM 0 HD13 LEU A 50 4.212 -0.109 3.107 1.00 24.21 H new ATOM 0 HD21 LEU A 50 5.392 1.676 5.382 1.00 4.24 H new ATOM 0 HD22 LEU A 50 3.707 1.106 5.407 1.00 4.24 H new ATOM 0 HD23 LEU A 50 4.787 0.748 6.775 1.00 4.24 H new ATOM 884 N VAL A 51 5.766 -4.260 3.315 1.00 34.04 N ATOM 885 CA VAL A 51 7.000 -4.996 3.096 1.00 63.40 C ATOM 886 C VAL A 51 8.065 -4.045 2.544 1.00 40.31 C ATOM 887 O VAL A 51 7.743 -3.081 1.852 1.00 53.13 O ATOM 888 CB VAL A 51 6.739 -6.196 2.183 1.00 5.34 C ATOM 889 CG1 VAL A 51 5.866 -7.239 2.885 1.00 22.24 C ATOM 890 CG2 VAL A 51 6.107 -5.752 0.862 1.00 42.33 C ATOM 0 H VAL A 51 5.070 -4.365 2.577 1.00 34.04 H new ATOM 0 HA VAL A 51 7.378 -5.397 4.037 1.00 63.40 H new ATOM 0 HB VAL A 51 7.699 -6.660 1.956 1.00 5.34 H new ATOM 0 HG11 VAL A 51 5.695 -8.081 2.215 1.00 22.24 H new ATOM 0 HG12 VAL A 51 6.370 -7.589 3.786 1.00 22.24 H new ATOM 0 HG13 VAL A 51 4.910 -6.791 3.155 1.00 22.24 H new ATOM 0 HG21 VAL A 51 5.932 -6.624 0.231 1.00 42.33 H new ATOM 0 HG22 VAL A 51 5.159 -5.252 1.062 1.00 42.33 H new ATOM 0 HG23 VAL A 51 6.779 -5.063 0.350 1.00 42.33 H new ATOM 900 N PRO A 52 9.345 -4.360 2.879 1.00 31.35 N ATOM 901 CA PRO A 52 10.459 -3.545 2.424 1.00 52.22 C ATOM 902 C PRO A 52 10.750 -3.791 0.943 1.00 45.42 C ATOM 903 O PRO A 52 10.057 -4.572 0.292 1.00 24.12 O ATOM 904 CB PRO A 52 11.620 -3.926 3.329 1.00 72.44 C ATOM 905 CG PRO A 52 11.245 -5.265 3.947 1.00 72.05 C ATOM 906 CD PRO A 52 9.764 -5.495 3.697 1.00 62.34 C ATOM 0 HA PRO A 52 10.253 -2.477 2.490 1.00 52.22 H new ATOM 0 HB2 PRO A 52 12.548 -4.004 2.762 1.00 72.44 H new ATOM 0 HB3 PRO A 52 11.779 -3.171 4.099 1.00 72.44 H new ATOM 0 HG2 PRO A 52 11.836 -6.068 3.506 1.00 72.05 H new ATOM 0 HG3 PRO A 52 11.456 -5.264 5.016 1.00 72.05 H new ATOM 0 HD2 PRO A 52 9.592 -6.440 3.181 1.00 62.34 H new ATOM 0 HD3 PRO A 52 9.206 -5.536 4.633 1.00 62.34 H new ATOM 914 N ALA A 53 11.775 -3.112 0.453 1.00 53.20 N ATOM 915 CA ALA A 53 12.167 -3.246 -0.940 1.00 13.10 C ATOM 916 C ALA A 53 13.250 -4.321 -1.059 1.00 64.41 C ATOM 917 O ALA A 53 13.963 -4.382 -2.059 1.00 65.24 O ATOM 918 CB ALA A 53 12.632 -1.890 -1.473 1.00 72.45 C ATOM 0 H ALA A 53 12.348 -2.466 0.996 1.00 53.20 H new ATOM 0 HA ALA A 53 11.319 -3.562 -1.548 1.00 13.10 H new ATOM 0 HB1 ALA A 53 12.926 -1.991 -2.518 1.00 72.45 H new ATOM 0 HB2 ALA A 53 11.818 -1.169 -1.393 1.00 72.45 H new ATOM 0 HB3 ALA A 53 13.484 -1.542 -0.889 1.00 72.45 H new ATOM 924 N ASP A 54 13.339 -5.143 -0.023 1.00 11.31 N ATOM 925 CA ASP A 54 14.322 -6.213 0.001 1.00 24.43 C ATOM 926 C ASP A 54 13.601 -7.560 0.085 1.00 24.43 C ATOM 927 O ASP A 54 14.023 -8.533 -0.537 1.00 72.41 O ATOM 928 CB ASP A 54 15.239 -6.090 1.219 1.00 32.13 C ATOM 929 CG ASP A 54 15.596 -4.657 1.618 1.00 4.14 C ATOM 930 OD1 ASP A 54 15.366 -4.235 2.760 1.00 20.21 O ATOM 931 OD2 ASP A 54 16.141 -3.951 0.685 1.00 61.44 O ATOM 0 H ASP A 54 12.747 -5.089 0.806 1.00 11.31 H new ATOM 0 HA ASP A 54 14.919 -6.144 -0.908 1.00 24.43 H new ATOM 0 HB2 ASP A 54 14.759 -6.578 2.067 1.00 32.13 H new ATOM 0 HB3 ASP A 54 16.161 -6.635 1.017 1.00 32.13 H new ATOM 937 N LEU A 55 12.527 -7.573 0.859 1.00 53.33 N ATOM 938 CA LEU A 55 11.744 -8.785 1.034 1.00 33.10 C ATOM 939 C LEU A 55 11.243 -9.262 -0.331 1.00 55.22 C ATOM 940 O LEU A 55 10.749 -8.467 -1.128 1.00 73.35 O ATOM 941 CB LEU A 55 10.628 -8.560 2.055 1.00 22.25 C ATOM 942 CG LEU A 55 10.061 -9.817 2.717 1.00 42.04 C ATOM 943 CD1 LEU A 55 10.554 -9.946 4.159 1.00 33.21 C ATOM 944 CD2 LEU A 55 8.534 -9.842 2.630 1.00 41.11 C ATOM 0 H LEU A 55 12.180 -6.763 1.373 1.00 53.33 H new ATOM 0 HA LEU A 55 12.362 -9.583 1.445 1.00 33.10 H new ATOM 0 HB2 LEU A 55 11.005 -7.901 2.837 1.00 22.25 H new ATOM 0 HB3 LEU A 55 9.811 -8.034 1.561 1.00 22.25 H new ATOM 0 HG LEU A 55 10.429 -10.686 2.171 1.00 42.04 H new ATOM 0 HD11 LEU A 55 10.136 -10.848 4.607 1.00 33.21 H new ATOM 0 HD12 LEU A 55 11.642 -10.007 4.167 1.00 33.21 H new ATOM 0 HD13 LEU A 55 10.235 -9.075 4.732 1.00 33.21 H new ATOM 0 HD21 LEU A 55 8.157 -10.746 3.108 1.00 41.11 H new ATOM 0 HD22 LEU A 55 8.126 -8.967 3.136 1.00 41.11 H new ATOM 0 HD23 LEU A 55 8.229 -9.831 1.584 1.00 41.11 H new ATOM 956 N THR A 56 11.387 -10.560 -0.557 1.00 33.54 N ATOM 957 CA THR A 56 10.955 -11.153 -1.811 1.00 20.24 C ATOM 958 C THR A 56 9.534 -11.704 -1.678 1.00 22.22 C ATOM 959 O THR A 56 8.951 -11.674 -0.595 1.00 33.44 O ATOM 960 CB THR A 56 11.982 -12.214 -2.211 1.00 3.12 C ATOM 961 OG1 THR A 56 11.628 -13.352 -1.430 1.00 4.55 O ATOM 962 CG2 THR A 56 13.398 -11.865 -1.742 1.00 24.15 C ATOM 0 H THR A 56 11.797 -11.217 0.107 1.00 33.54 H new ATOM 0 HA THR A 56 10.909 -10.408 -2.606 1.00 20.24 H new ATOM 0 HB THR A 56 11.978 -12.333 -3.294 1.00 3.12 H new ATOM 0 HG1 THR A 56 12.243 -14.089 -1.628 1.00 4.55 H new ATOM 0 HG21 THR A 56 14.088 -12.650 -2.052 1.00 24.15 H new ATOM 0 HG22 THR A 56 13.705 -10.917 -2.185 1.00 24.15 H new ATOM 0 HG23 THR A 56 13.411 -11.779 -0.655 1.00 24.15 H new ATOM 970 N VAL A 57 9.016 -12.193 -2.795 1.00 60.44 N ATOM 971 CA VAL A 57 7.675 -12.749 -2.819 1.00 24.01 C ATOM 972 C VAL A 57 7.623 -13.983 -1.914 1.00 24.23 C ATOM 973 O VAL A 57 6.724 -14.113 -1.085 1.00 23.23 O ATOM 974 CB VAL A 57 7.255 -13.046 -4.260 1.00 35.30 C ATOM 975 CG1 VAL A 57 6.188 -14.141 -4.307 1.00 34.23 C ATOM 976 CG2 VAL A 57 6.769 -11.776 -4.962 1.00 3.30 C ATOM 0 H VAL A 57 9.502 -12.215 -3.691 1.00 60.44 H new ATOM 0 HA VAL A 57 6.956 -12.028 -2.429 1.00 24.01 H new ATOM 0 HB VAL A 57 8.132 -13.411 -4.795 1.00 35.30 H new ATOM 0 HG11 VAL A 57 5.908 -14.332 -5.343 1.00 34.23 H new ATOM 0 HG12 VAL A 57 6.584 -15.055 -3.864 1.00 34.23 H new ATOM 0 HG13 VAL A 57 5.310 -13.818 -3.748 1.00 34.23 H new ATOM 0 HG21 VAL A 57 6.477 -12.015 -5.985 1.00 3.30 H new ATOM 0 HG22 VAL A 57 5.912 -11.369 -4.425 1.00 3.30 H new ATOM 0 HG23 VAL A 57 7.572 -11.039 -4.977 1.00 3.30 H new ATOM 986 N GLY A 58 8.599 -14.858 -2.107 1.00 11.12 N ATOM 987 CA GLY A 58 8.676 -16.076 -1.319 1.00 42.23 C ATOM 988 C GLY A 58 8.922 -15.761 0.158 1.00 73.23 C ATOM 989 O GLY A 58 8.819 -16.642 1.010 1.00 60.02 O ATOM 0 H GLY A 58 9.342 -14.748 -2.797 1.00 11.12 H new ATOM 0 HA2 GLY A 58 7.749 -16.640 -1.424 1.00 42.23 H new ATOM 0 HA3 GLY A 58 9.479 -16.708 -1.698 1.00 42.23 H new ATOM 993 N GLN A 59 9.237 -14.500 0.417 1.00 64.11 N ATOM 994 CA GLN A 59 9.497 -14.057 1.775 1.00 61.51 C ATOM 995 C GLN A 59 8.237 -13.433 2.380 1.00 64.21 C ATOM 996 O GLN A 59 8.070 -13.421 3.598 1.00 44.31 O ATOM 997 CB GLN A 59 10.670 -13.076 1.818 1.00 30.41 C ATOM 998 CG GLN A 59 12.000 -13.802 1.610 1.00 65.32 C ATOM 999 CD GLN A 59 13.014 -13.407 2.685 1.00 74.31 C ATOM 1000 OE1 GLN A 59 12.846 -13.677 3.863 1.00 74.53 O ATOM 1001 NE2 GLN A 59 14.074 -12.755 2.216 1.00 1.14 N ATOM 0 H GLN A 59 9.318 -13.771 -0.292 1.00 64.11 H new ATOM 0 HA GLN A 59 9.772 -14.926 2.373 1.00 61.51 H new ATOM 0 HB2 GLN A 59 10.542 -12.316 1.047 1.00 30.41 H new ATOM 0 HB3 GLN A 59 10.680 -12.558 2.777 1.00 30.41 H new ATOM 0 HG2 GLN A 59 11.838 -14.880 1.636 1.00 65.32 H new ATOM 0 HG3 GLN A 59 12.398 -13.563 0.624 1.00 65.32 H new ATOM 0 HE21 GLN A 59 14.153 -12.561 1.218 1.00 1.14 H new ATOM 0 HE22 GLN A 59 14.808 -12.449 2.855 1.00 1.14 H new ATOM 1010 N PHE A 60 7.384 -12.931 1.499 1.00 0.21 N ATOM 1011 CA PHE A 60 6.144 -12.306 1.930 1.00 52.15 C ATOM 1012 C PHE A 60 5.120 -13.358 2.358 1.00 43.15 C ATOM 1013 O PHE A 60 4.505 -13.239 3.416 1.00 50.40 O ATOM 1014 CB PHE A 60 5.594 -11.533 0.732 1.00 50.40 C ATOM 1015 CG PHE A 60 4.348 -10.699 1.047 1.00 73.03 C ATOM 1016 CD1 PHE A 60 4.381 -9.782 2.051 1.00 61.34 C ATOM 1017 CD2 PHE A 60 3.210 -10.876 0.324 1.00 51.21 C ATOM 1018 CE1 PHE A 60 3.226 -9.010 2.344 1.00 62.21 C ATOM 1019 CE2 PHE A 60 2.056 -10.104 0.617 1.00 1.22 C ATOM 1020 CZ PHE A 60 2.088 -9.188 1.621 1.00 23.01 C ATOM 0 H PHE A 60 7.527 -12.944 0.489 1.00 0.21 H new ATOM 0 HA PHE A 60 6.332 -11.654 2.783 1.00 52.15 H new ATOM 0 HB2 PHE A 60 6.373 -10.873 0.350 1.00 50.40 H new ATOM 0 HB3 PHE A 60 5.355 -12.238 -0.064 1.00 50.40 H new ATOM 0 HD1 PHE A 60 5.285 -9.641 2.625 1.00 61.34 H new ATOM 0 HD2 PHE A 60 3.184 -11.604 -0.473 1.00 51.21 H new ATOM 0 HE1 PHE A 60 3.251 -8.282 3.141 1.00 62.21 H new ATOM 0 HE2 PHE A 60 1.152 -10.244 0.042 1.00 1.22 H new ATOM 0 HZ PHE A 60 1.209 -8.601 1.845 1.00 23.01 H new ATOM 1030 N VAL A 61 4.968 -14.369 1.513 1.00 32.35 N ATOM 1031 CA VAL A 61 4.029 -15.441 1.790 1.00 5.44 C ATOM 1032 C VAL A 61 4.160 -15.863 3.255 1.00 71.34 C ATOM 1033 O VAL A 61 3.161 -16.144 3.915 1.00 5.54 O ATOM 1034 CB VAL A 61 4.252 -16.597 0.812 1.00 43.14 C ATOM 1035 CG1 VAL A 61 3.245 -17.723 1.057 1.00 42.22 C ATOM 1036 CG2 VAL A 61 4.190 -16.111 -0.636 1.00 73.01 C ATOM 0 H VAL A 61 5.480 -14.467 0.636 1.00 32.35 H new ATOM 0 HA VAL A 61 3.005 -15.100 1.641 1.00 5.44 H new ATOM 0 HB VAL A 61 5.251 -16.996 0.987 1.00 43.14 H new ATOM 0 HG11 VAL A 61 3.425 -18.532 0.349 1.00 42.22 H new ATOM 0 HG12 VAL A 61 3.359 -18.098 2.074 1.00 42.22 H new ATOM 0 HG13 VAL A 61 2.233 -17.342 0.923 1.00 42.22 H new ATOM 0 HG21 VAL A 61 4.352 -16.953 -1.310 1.00 73.01 H new ATOM 0 HG22 VAL A 61 3.211 -15.673 -0.831 1.00 73.01 H new ATOM 0 HG23 VAL A 61 4.963 -15.360 -0.801 1.00 73.01 H new ATOM 1046 N TYR A 62 5.400 -15.892 3.720 1.00 14.20 N ATOM 1047 CA TYR A 62 5.675 -16.273 5.095 1.00 74.54 C ATOM 1048 C TYR A 62 4.860 -15.425 6.073 1.00 34.14 C ATOM 1049 O TYR A 62 4.028 -15.949 6.811 1.00 35.32 O ATOM 1050 CB TYR A 62 7.163 -16.001 5.319 1.00 44.14 C ATOM 1051 CG TYR A 62 7.489 -15.424 6.698 1.00 45.10 C ATOM 1052 CD1 TYR A 62 7.243 -16.169 7.833 1.00 22.21 C ATOM 1053 CD2 TYR A 62 8.031 -14.160 6.806 1.00 62.34 C ATOM 1054 CE1 TYR A 62 7.551 -15.626 9.131 1.00 24.10 C ATOM 1055 CE2 TYR A 62 8.339 -13.617 8.105 1.00 24.35 C ATOM 1056 CZ TYR A 62 8.082 -14.377 9.203 1.00 2.21 C ATOM 1057 OH TYR A 62 8.372 -13.864 10.429 1.00 63.13 O ATOM 0 H TYR A 62 6.226 -15.658 3.169 1.00 14.20 H new ATOM 0 HA TYR A 62 5.411 -17.317 5.263 1.00 74.54 H new ATOM 0 HB2 TYR A 62 7.716 -16.931 5.185 1.00 44.14 H new ATOM 0 HB3 TYR A 62 7.514 -15.308 4.554 1.00 44.14 H new ATOM 0 HD1 TYR A 62 6.820 -17.159 7.748 1.00 22.21 H new ATOM 0 HD2 TYR A 62 8.224 -13.578 5.917 1.00 62.34 H new ATOM 0 HE1 TYR A 62 7.364 -16.199 10.027 1.00 24.10 H new ATOM 0 HE2 TYR A 62 8.764 -12.629 8.204 1.00 24.35 H new ATOM 0 HH TYR A 62 8.747 -12.964 10.327 1.00 63.13 H new ATOM 1067 N VAL A 63 5.129 -14.128 6.048 1.00 52.24 N ATOM 1068 CA VAL A 63 4.431 -13.201 6.922 1.00 35.03 C ATOM 1069 C VAL A 63 2.939 -13.542 6.933 1.00 4.02 C ATOM 1070 O VAL A 63 2.278 -13.421 7.963 1.00 23.34 O ATOM 1071 CB VAL A 63 4.713 -11.762 6.491 1.00 11.21 C ATOM 1072 CG1 VAL A 63 3.880 -10.771 7.309 1.00 65.32 C ATOM 1073 CG2 VAL A 63 6.205 -11.439 6.595 1.00 44.31 C ATOM 0 H VAL A 63 5.821 -13.697 5.436 1.00 52.24 H new ATOM 0 HA VAL A 63 4.793 -13.295 7.946 1.00 35.03 H new ATOM 0 HB VAL A 63 4.421 -11.664 5.445 1.00 11.21 H new ATOM 0 HG11 VAL A 63 4.100 -9.755 6.982 1.00 65.32 H new ATOM 0 HG12 VAL A 63 2.820 -10.978 7.162 1.00 65.32 H new ATOM 0 HG13 VAL A 63 4.127 -10.874 8.366 1.00 65.32 H new ATOM 0 HG21 VAL A 63 6.377 -10.409 6.282 1.00 44.31 H new ATOM 0 HG22 VAL A 63 6.533 -11.565 7.627 1.00 44.31 H new ATOM 0 HG23 VAL A 63 6.769 -12.113 5.950 1.00 44.31 H new ATOM 1083 N ILE A 64 2.452 -13.960 5.774 1.00 25.51 N ATOM 1084 CA ILE A 64 1.051 -14.319 5.636 1.00 30.30 C ATOM 1085 C ILE A 64 0.776 -15.600 6.425 1.00 3.31 C ATOM 1086 O ILE A 64 -0.018 -15.597 7.364 1.00 53.34 O ATOM 1087 CB ILE A 64 0.663 -14.411 4.159 1.00 74.05 C ATOM 1088 CG1 ILE A 64 1.212 -13.218 3.373 1.00 52.44 C ATOM 1089 CG2 ILE A 64 -0.850 -14.558 3.996 1.00 22.42 C ATOM 1090 CD1 ILE A 64 1.098 -11.927 4.186 1.00 35.01 C ATOM 0 H ILE A 64 3.003 -14.058 4.921 1.00 25.51 H new ATOM 0 HA ILE A 64 0.416 -13.541 6.060 1.00 30.30 H new ATOM 0 HB ILE A 64 1.119 -15.309 3.742 1.00 74.05 H new ATOM 0 HG12 ILE A 64 2.255 -13.398 3.114 1.00 52.44 H new ATOM 0 HG13 ILE A 64 0.664 -13.112 2.436 1.00 52.44 H new ATOM 0 HG21 ILE A 64 -1.097 -14.621 2.936 1.00 22.42 H new ATOM 0 HG22 ILE A 64 -1.184 -15.464 4.501 1.00 22.42 H new ATOM 0 HG23 ILE A 64 -1.349 -13.694 4.434 1.00 22.42 H new ATOM 0 HD11 ILE A 64 1.495 -11.095 3.605 1.00 35.01 H new ATOM 0 HD12 ILE A 64 0.051 -11.737 4.423 1.00 35.01 H new ATOM 0 HD13 ILE A 64 1.667 -12.028 5.110 1.00 35.01 H new ATOM 1102 N ARG A 65 1.451 -16.665 6.015 1.00 63.25 N ATOM 1103 CA ARG A 65 1.290 -17.951 6.671 1.00 61.31 C ATOM 1104 C ARG A 65 1.296 -17.776 8.191 1.00 12.01 C ATOM 1105 O ARG A 65 0.688 -18.565 8.913 1.00 41.52 O ATOM 1106 CB ARG A 65 2.408 -18.916 6.273 1.00 31.34 C ATOM 1107 CG ARG A 65 1.933 -20.368 6.355 1.00 61.42 C ATOM 1108 CD ARG A 65 1.278 -20.806 5.043 1.00 12.15 C ATOM 1109 NE ARG A 65 2.188 -20.530 3.908 1.00 42.22 N ATOM 1110 CZ ARG A 65 3.109 -21.401 3.445 1.00 13.14 C ATOM 1111 NH1 ARG A 65 3.251 -22.616 4.018 1.00 33.44 N ATOM 1112 NH2 ARG A 65 3.867 -21.050 2.424 1.00 34.13 N ATOM 0 H ARG A 65 2.110 -16.663 5.237 1.00 63.25 H new ATOM 0 HA ARG A 65 0.334 -18.368 6.353 1.00 61.31 H new ATOM 0 HB2 ARG A 65 2.740 -18.695 5.259 1.00 31.34 H new ATOM 0 HB3 ARG A 65 3.267 -18.773 6.928 1.00 31.34 H new ATOM 0 HG2 ARG A 65 2.778 -21.019 6.578 1.00 61.42 H new ATOM 0 HG3 ARG A 65 1.222 -20.476 7.174 1.00 61.42 H new ATOM 0 HD2 ARG A 65 1.043 -21.870 5.081 1.00 12.15 H new ATOM 0 HD3 ARG A 65 0.336 -20.276 4.902 1.00 12.15 H new ATOM 0 HE ARG A 65 2.114 -19.623 3.446 1.00 42.22 H new ATOM 0 HH11 ARG A 65 2.660 -22.880 4.806 1.00 33.44 H new ATOM 0 HH12 ARG A 65 3.949 -23.269 3.663 1.00 33.44 H new ATOM 0 HH21 ARG A 65 3.753 -20.131 1.996 1.00 34.13 H new ATOM 0 HH22 ARG A 65 4.568 -21.697 2.063 1.00 34.13 H new ATOM 1126 N LYS A 66 1.987 -16.734 8.632 1.00 55.44 N ATOM 1127 CA LYS A 66 2.079 -16.445 10.053 1.00 1.33 C ATOM 1128 C LYS A 66 0.775 -15.797 10.522 1.00 70.51 C ATOM 1129 O LYS A 66 0.249 -16.146 11.579 1.00 24.42 O ATOM 1130 CB LYS A 66 3.324 -15.607 10.351 1.00 12.24 C ATOM 1131 CG LYS A 66 4.552 -16.499 10.545 1.00 14.13 C ATOM 1132 CD LYS A 66 4.626 -17.576 9.460 1.00 31.51 C ATOM 1133 CE LYS A 66 5.740 -18.579 9.759 1.00 71.45 C ATOM 1134 NZ LYS A 66 5.351 -19.469 10.875 1.00 62.23 N ATOM 0 H LYS A 66 2.488 -16.080 8.030 1.00 55.44 H new ATOM 0 HA LYS A 66 2.201 -17.367 10.622 1.00 1.33 H new ATOM 0 HB2 LYS A 66 3.502 -14.910 9.532 1.00 12.24 H new ATOM 0 HB3 LYS A 66 3.159 -15.010 11.248 1.00 12.24 H new ATOM 0 HG2 LYS A 66 5.456 -15.890 10.520 1.00 14.13 H new ATOM 0 HG3 LYS A 66 4.512 -16.970 11.527 1.00 14.13 H new ATOM 0 HD2 LYS A 66 3.671 -18.097 9.394 1.00 31.51 H new ATOM 0 HD3 LYS A 66 4.802 -17.109 8.491 1.00 31.51 H new ATOM 0 HE2 LYS A 66 5.951 -19.173 8.870 1.00 71.45 H new ATOM 0 HE3 LYS A 66 6.657 -18.048 10.013 1.00 71.45 H new ATOM 0 HZ1 LYS A 66 6.018 -20.265 10.933 1.00 62.23 H new ATOM 0 HZ2 LYS A 66 5.370 -18.935 11.767 1.00 62.23 H new ATOM 0 HZ3 LYS A 66 4.391 -19.834 10.710 1.00 62.23 H new ATOM 1148 N ARG A 67 0.290 -14.866 9.715 1.00 1.25 N ATOM 1149 CA ARG A 67 -0.942 -14.165 10.035 1.00 11.04 C ATOM 1150 C ARG A 67 -2.100 -15.158 10.163 1.00 10.11 C ATOM 1151 O ARG A 67 -3.158 -14.820 10.690 1.00 74.15 O ATOM 1152 CB ARG A 67 -1.283 -13.131 8.961 1.00 53.20 C ATOM 1153 CG ARG A 67 -0.949 -11.716 9.436 1.00 23.03 C ATOM 1154 CD ARG A 67 -2.097 -11.131 10.265 1.00 34.01 C ATOM 1155 NE ARG A 67 -1.715 -11.082 11.694 1.00 70.52 N ATOM 1156 CZ ARG A 67 -1.047 -10.057 12.264 1.00 73.13 C ATOM 1157 NH1 ARG A 67 -0.680 -8.984 11.529 1.00 21.20 N ATOM 1158 NH2 ARG A 67 -0.758 -10.117 13.550 1.00 2.44 N ATOM 0 H ARG A 67 0.728 -14.580 8.839 1.00 1.25 H new ATOM 0 HA ARG A 67 -0.793 -13.650 10.984 1.00 11.04 H new ATOM 0 HB2 ARG A 67 -0.729 -13.353 8.049 1.00 53.20 H new ATOM 0 HB3 ARG A 67 -2.343 -13.195 8.713 1.00 53.20 H new ATOM 0 HG2 ARG A 67 -0.037 -11.734 10.033 1.00 23.03 H new ATOM 0 HG3 ARG A 67 -0.754 -11.076 8.575 1.00 23.03 H new ATOM 0 HD2 ARG A 67 -2.339 -10.129 9.910 1.00 34.01 H new ATOM 0 HD3 ARG A 67 -2.993 -11.739 10.140 1.00 34.01 H new ATOM 0 HE ARG A 67 -1.973 -11.872 12.285 1.00 70.52 H new ATOM 0 HH11 ARG A 67 -0.908 -8.944 10.536 1.00 21.20 H new ATOM 0 HH12 ARG A 67 -0.175 -8.214 11.968 1.00 21.20 H new ATOM 0 HH21 ARG A 67 -1.039 -10.930 14.098 1.00 2.44 H new ATOM 0 HH22 ARG A 67 -0.254 -9.351 13.996 1.00 2.44 H new ATOM 1172 N ILE A 68 -1.859 -16.364 9.668 1.00 74.21 N ATOM 1173 CA ILE A 68 -2.868 -17.409 9.720 1.00 51.02 C ATOM 1174 C ILE A 68 -2.244 -18.687 10.284 1.00 1.12 C ATOM 1175 O ILE A 68 -2.879 -19.740 10.290 1.00 65.40 O ATOM 1176 CB ILE A 68 -3.516 -17.595 8.346 1.00 43.40 C ATOM 1177 CG1 ILE A 68 -2.504 -17.355 7.225 1.00 54.02 C ATOM 1178 CG2 ILE A 68 -4.755 -16.709 8.200 1.00 43.10 C ATOM 1179 CD1 ILE A 68 -3.099 -17.715 5.862 1.00 64.50 C ATOM 0 H ILE A 68 -0.981 -16.640 9.229 1.00 74.21 H new ATOM 0 HA ILE A 68 -3.677 -17.125 10.393 1.00 51.02 H new ATOM 0 HB ILE A 68 -3.848 -18.630 8.262 1.00 43.40 H new ATOM 0 HG12 ILE A 68 -2.196 -16.310 7.226 1.00 54.02 H new ATOM 0 HG13 ILE A 68 -1.609 -17.951 7.404 1.00 54.02 H new ATOM 0 HG21 ILE A 68 -5.196 -16.860 7.215 1.00 43.10 H new ATOM 0 HG22 ILE A 68 -5.483 -16.972 8.968 1.00 43.10 H new ATOM 0 HG23 ILE A 68 -4.470 -15.663 8.313 1.00 43.10 H new ATOM 0 HD11 ILE A 68 -2.358 -17.535 5.083 1.00 64.50 H new ATOM 0 HD12 ILE A 68 -3.384 -18.767 5.856 1.00 64.50 H new ATOM 0 HD13 ILE A 68 -3.979 -17.100 5.675 1.00 64.50 H new ATOM 1191 N MET A 69 -1.009 -18.551 10.744 1.00 12.12 N ATOM 1192 CA MET A 69 -0.293 -19.682 11.309 1.00 64.34 C ATOM 1193 C MET A 69 -0.643 -20.976 10.572 1.00 52.33 C ATOM 1194 O MET A 69 -0.699 -22.044 11.178 1.00 32.01 O ATOM 1195 CB MET A 69 -0.651 -19.824 12.790 1.00 12.53 C ATOM 1196 CG MET A 69 -2.119 -19.471 13.036 1.00 10.21 C ATOM 1197 SD MET A 69 -2.498 -19.609 14.775 1.00 12.40 S ATOM 1198 CE MET A 69 -3.490 -18.142 14.994 1.00 45.12 C ATOM 0 H MET A 69 -0.486 -17.675 10.737 1.00 12.12 H new ATOM 0 HA MET A 69 0.777 -19.503 11.200 1.00 64.34 H new ATOM 0 HB2 MET A 69 -0.459 -20.846 13.118 1.00 12.53 H new ATOM 0 HB3 MET A 69 -0.012 -19.173 13.386 1.00 12.53 H new ATOM 0 HG2 MET A 69 -2.320 -18.457 12.691 1.00 10.21 H new ATOM 0 HG3 MET A 69 -2.763 -20.137 12.461 1.00 10.21 H new ATOM 0 HE1 MET A 69 -3.813 -18.073 16.033 1.00 45.12 H new ATOM 0 HE2 MET A 69 -2.900 -17.262 14.738 1.00 45.12 H new ATOM 0 HE3 MET A 69 -4.364 -18.194 14.345 1.00 45.12 H new ATOM 1208 N LEU A 70 -0.871 -20.838 9.274 1.00 62.43 N ATOM 1209 CA LEU A 70 -1.214 -21.983 8.449 1.00 10.14 C ATOM 1210 C LEU A 70 -0.216 -23.113 8.711 1.00 2.25 C ATOM 1211 O LEU A 70 0.980 -22.867 8.858 1.00 31.43 O ATOM 1212 CB LEU A 70 -1.307 -21.574 6.977 1.00 61.22 C ATOM 1213 CG LEU A 70 -2.421 -22.238 6.165 1.00 11.33 C ATOM 1214 CD1 LEU A 70 -3.750 -22.191 6.918 1.00 30.12 C ATOM 1215 CD2 LEU A 70 -2.529 -21.616 4.771 1.00 2.24 C ATOM 0 H LEU A 70 -0.825 -19.950 8.774 1.00 62.43 H new ATOM 0 HA LEU A 70 -2.201 -22.361 8.714 1.00 10.14 H new ATOM 0 HB2 LEU A 70 -1.444 -20.494 6.929 1.00 61.22 H new ATOM 0 HB3 LEU A 70 -0.354 -21.796 6.498 1.00 61.22 H new ATOM 0 HG LEU A 70 -2.165 -23.289 6.029 1.00 11.33 H new ATOM 0 HD11 LEU A 70 -4.525 -22.670 6.319 1.00 30.12 H new ATOM 0 HD12 LEU A 70 -3.649 -22.717 7.868 1.00 30.12 H new ATOM 0 HD13 LEU A 70 -4.025 -21.153 7.105 1.00 30.12 H new ATOM 0 HD21 LEU A 70 -3.328 -22.106 4.215 1.00 2.24 H new ATOM 0 HD22 LEU A 70 -2.750 -20.553 4.863 1.00 2.24 H new ATOM 0 HD23 LEU A 70 -1.586 -21.746 4.241 1.00 2.24 H new ATOM 1227 N PRO A 71 -0.760 -24.359 8.762 1.00 43.24 N ATOM 1228 CA PRO A 71 0.071 -25.527 9.004 1.00 13.55 C ATOM 1229 C PRO A 71 0.879 -25.893 7.758 1.00 75.31 C ATOM 1230 O PRO A 71 0.594 -25.409 6.665 1.00 21.12 O ATOM 1231 CB PRO A 71 -0.901 -26.619 9.424 1.00 61.24 C ATOM 1232 CG PRO A 71 -2.273 -26.159 8.955 1.00 24.13 C ATOM 1233 CD PRO A 71 -2.171 -24.686 8.592 1.00 33.31 C ATOM 0 HA PRO A 71 0.820 -25.358 9.778 1.00 13.55 H new ATOM 0 HB2 PRO A 71 -0.634 -27.574 8.972 1.00 61.24 H new ATOM 0 HB3 PRO A 71 -0.885 -26.762 10.505 1.00 61.24 H new ATOM 0 HG2 PRO A 71 -2.598 -26.743 8.094 1.00 24.13 H new ATOM 0 HG3 PRO A 71 -3.015 -26.309 9.740 1.00 24.13 H new ATOM 0 HD2 PRO A 71 -2.498 -24.507 7.568 1.00 33.31 H new ATOM 0 HD3 PRO A 71 -2.800 -24.074 9.239 1.00 33.31 H new ATOM 1241 N PRO A 72 1.897 -26.768 7.971 1.00 11.43 N ATOM 1242 CA PRO A 72 2.750 -27.205 6.877 1.00 73.31 C ATOM 1243 C PRO A 72 2.024 -28.214 5.985 1.00 14.34 C ATOM 1244 O PRO A 72 2.594 -28.715 5.018 1.00 14.13 O ATOM 1245 CB PRO A 72 3.984 -27.786 7.549 1.00 1.11 C ATOM 1246 CG PRO A 72 3.580 -28.076 8.984 1.00 12.50 C ATOM 1247 CD PRO A 72 2.265 -27.363 9.253 1.00 2.00 C ATOM 0 HA PRO A 72 3.024 -26.391 6.206 1.00 73.31 H new ATOM 0 HB2 PRO A 72 4.312 -28.695 7.044 1.00 1.11 H new ATOM 0 HB3 PRO A 72 4.816 -27.083 7.512 1.00 1.11 H new ATOM 0 HG2 PRO A 72 3.471 -29.149 9.140 1.00 12.50 H new ATOM 0 HG3 PRO A 72 4.350 -27.730 9.674 1.00 12.50 H new ATOM 0 HD2 PRO A 72 1.501 -28.059 9.601 1.00 2.00 H new ATOM 0 HD3 PRO A 72 2.378 -26.602 10.025 1.00 2.00 H new ATOM 1255 N GLU A 73 0.776 -28.483 6.344 1.00 4.32 N ATOM 1256 CA GLU A 73 -0.034 -29.422 5.589 1.00 33.04 C ATOM 1257 C GLU A 73 -0.965 -28.674 4.635 1.00 15.04 C ATOM 1258 O GLU A 73 -1.821 -29.280 3.994 1.00 75.11 O ATOM 1259 CB GLU A 73 -0.828 -30.338 6.525 1.00 51.24 C ATOM 1260 CG GLU A 73 -2.102 -29.647 7.014 1.00 33.54 C ATOM 1261 CD GLU A 73 -2.824 -30.506 8.054 1.00 53.33 C ATOM 1262 OE1 GLU A 73 -3.337 -31.585 7.718 1.00 25.23 O ATOM 1263 OE2 GLU A 73 -2.842 -30.018 9.248 1.00 11.00 O ATOM 0 H GLU A 73 0.307 -28.066 7.148 1.00 4.32 H new ATOM 0 HA GLU A 73 0.631 -30.050 4.997 1.00 33.04 H new ATOM 0 HB2 GLU A 73 -1.087 -31.260 6.005 1.00 51.24 H new ATOM 0 HB3 GLU A 73 -0.210 -30.616 7.379 1.00 51.24 H new ATOM 0 HG2 GLU A 73 -1.852 -28.678 7.447 1.00 33.54 H new ATOM 0 HG3 GLU A 73 -2.765 -29.457 6.170 1.00 33.54 H new ATOM 1271 N LYS A 74 -0.767 -27.365 4.570 1.00 15.22 N ATOM 1272 CA LYS A 74 -1.578 -26.526 3.705 1.00 74.24 C ATOM 1273 C LYS A 74 -0.673 -25.817 2.695 1.00 4.24 C ATOM 1274 O LYS A 74 0.545 -25.985 2.722 1.00 22.52 O ATOM 1275 CB LYS A 74 -2.437 -25.572 4.537 1.00 43.43 C ATOM 1276 CG LYS A 74 -3.651 -26.297 5.121 1.00 13.23 C ATOM 1277 CD LYS A 74 -4.922 -25.965 4.336 1.00 31.31 C ATOM 1278 CE LYS A 74 -4.786 -26.385 2.872 1.00 43.12 C ATOM 1279 NZ LYS A 74 -4.733 -27.859 2.758 1.00 72.20 N ATOM 0 H LYS A 74 -0.056 -26.865 5.103 1.00 15.22 H new ATOM 0 HA LYS A 74 -2.280 -27.133 3.133 1.00 74.24 H new ATOM 0 HB2 LYS A 74 -1.839 -25.148 5.344 1.00 43.43 H new ATOM 0 HB3 LYS A 74 -2.769 -24.740 3.916 1.00 43.43 H new ATOM 0 HG2 LYS A 74 -3.479 -27.373 5.102 1.00 13.23 H new ATOM 0 HG3 LYS A 74 -3.780 -26.013 6.165 1.00 13.23 H new ATOM 0 HD2 LYS A 74 -5.775 -26.473 4.786 1.00 31.31 H new ATOM 0 HD3 LYS A 74 -5.121 -24.895 4.394 1.00 31.31 H new ATOM 0 HE2 LYS A 74 -5.629 -26.000 2.297 1.00 43.12 H new ATOM 0 HE3 LYS A 74 -3.883 -25.949 2.445 1.00 43.12 H new ATOM 0 HZ1 LYS A 74 -3.884 -28.136 2.226 1.00 72.20 H new ATOM 0 HZ2 LYS A 74 -4.698 -28.280 3.708 1.00 72.20 H new ATOM 0 HZ3 LYS A 74 -5.580 -28.199 2.260 1.00 72.20 H new ATOM 1293 N ALA A 75 -1.304 -25.040 1.828 1.00 2.43 N ATOM 1294 CA ALA A 75 -0.572 -24.304 0.811 1.00 13.52 C ATOM 1295 C ALA A 75 -1.159 -22.897 0.684 1.00 54.01 C ATOM 1296 O ALA A 75 -2.352 -22.697 0.900 1.00 43.42 O ATOM 1297 CB ALA A 75 -0.616 -25.076 -0.509 1.00 3.35 C ATOM 0 H ALA A 75 -2.315 -24.904 1.808 1.00 2.43 H new ATOM 0 HA ALA A 75 0.476 -24.199 1.092 1.00 13.52 H new ATOM 0 HB1 ALA A 75 -0.067 -24.524 -1.272 1.00 3.35 H new ATOM 0 HB2 ALA A 75 -0.160 -26.057 -0.372 1.00 3.35 H new ATOM 0 HB3 ALA A 75 -1.652 -25.198 -0.825 1.00 3.35 H new ATOM 1303 N ILE A 76 -0.291 -21.959 0.332 1.00 45.33 N ATOM 1304 CA ILE A 76 -0.709 -20.575 0.173 1.00 65.33 C ATOM 1305 C ILE A 76 0.042 -19.953 -1.006 1.00 4.31 C ATOM 1306 O ILE A 76 1.271 -19.932 -1.022 1.00 22.55 O ATOM 1307 CB ILE A 76 -0.536 -19.809 1.486 1.00 71.13 C ATOM 1308 CG1 ILE A 76 -1.716 -18.864 1.729 1.00 33.21 C ATOM 1309 CG2 ILE A 76 0.805 -19.073 1.519 1.00 65.54 C ATOM 1310 CD1 ILE A 76 -1.617 -18.210 3.108 1.00 43.42 C ATOM 0 H ILE A 76 0.699 -22.129 0.153 1.00 45.33 H new ATOM 0 HA ILE A 76 -1.772 -20.522 -0.062 1.00 65.33 H new ATOM 0 HB ILE A 76 -0.527 -20.530 2.304 1.00 71.13 H new ATOM 0 HG12 ILE A 76 -1.735 -18.094 0.958 1.00 33.21 H new ATOM 0 HG13 ILE A 76 -2.652 -19.417 1.651 1.00 33.21 H new ATOM 0 HG21 ILE A 76 0.903 -18.537 2.463 1.00 65.54 H new ATOM 0 HG22 ILE A 76 1.618 -19.793 1.425 1.00 65.54 H new ATOM 0 HG23 ILE A 76 0.851 -18.364 0.692 1.00 65.54 H new ATOM 0 HD11 ILE A 76 -2.467 -17.543 3.256 1.00 43.42 H new ATOM 0 HD12 ILE A 76 -1.622 -18.982 3.878 1.00 43.42 H new ATOM 0 HD13 ILE A 76 -0.691 -17.638 3.174 1.00 43.42 H new ATOM 1322 N PHE A 77 -0.730 -19.462 -1.964 1.00 12.42 N ATOM 1323 CA PHE A 77 -0.153 -18.841 -3.144 1.00 62.30 C ATOM 1324 C PHE A 77 -0.626 -17.392 -3.288 1.00 33.33 C ATOM 1325 O PHE A 77 -1.804 -17.097 -3.086 1.00 33.52 O ATOM 1326 CB PHE A 77 -0.635 -19.645 -4.353 1.00 40.44 C ATOM 1327 CG PHE A 77 -0.205 -21.114 -4.335 1.00 70.23 C ATOM 1328 CD1 PHE A 77 -0.975 -22.037 -3.700 1.00 44.34 C ATOM 1329 CD2 PHE A 77 0.943 -21.495 -4.953 1.00 4.54 C ATOM 1330 CE1 PHE A 77 -0.578 -23.400 -3.682 1.00 41.05 C ATOM 1331 CE2 PHE A 77 1.341 -22.858 -4.935 1.00 1.33 C ATOM 1332 CZ PHE A 77 0.572 -23.782 -4.299 1.00 35.23 C ATOM 0 H PHE A 77 -1.750 -19.482 -1.947 1.00 12.42 H new ATOM 0 HA PHE A 77 0.934 -18.834 -3.067 1.00 62.30 H new ATOM 0 HB2 PHE A 77 -1.723 -19.596 -4.399 1.00 40.44 H new ATOM 0 HB3 PHE A 77 -0.256 -19.177 -5.262 1.00 40.44 H new ATOM 0 HD1 PHE A 77 -1.888 -21.734 -3.210 1.00 44.34 H new ATOM 0 HD2 PHE A 77 1.553 -20.761 -5.458 1.00 4.54 H new ATOM 0 HE1 PHE A 77 -1.190 -24.134 -3.178 1.00 41.05 H new ATOM 0 HE2 PHE A 77 2.254 -23.161 -5.426 1.00 1.33 H new ATOM 0 HZ PHE A 77 0.875 -24.819 -4.284 1.00 35.23 H new ATOM 1342 N ILE A 78 0.315 -16.528 -3.637 1.00 3.55 N ATOM 1343 CA ILE A 78 0.009 -15.118 -3.811 1.00 70.04 C ATOM 1344 C ILE A 78 -0.529 -14.887 -5.224 1.00 63.43 C ATOM 1345 O ILE A 78 -0.131 -15.574 -6.164 1.00 62.34 O ATOM 1346 CB ILE A 78 1.228 -14.260 -3.470 1.00 15.11 C ATOM 1347 CG1 ILE A 78 1.789 -14.623 -2.094 1.00 31.40 C ATOM 1348 CG2 ILE A 78 0.898 -12.768 -3.578 1.00 23.31 C ATOM 1349 CD1 ILE A 78 1.054 -13.866 -0.985 1.00 44.32 C ATOM 0 H ILE A 78 1.290 -16.777 -3.804 1.00 3.55 H new ATOM 0 HA ILE A 78 -0.774 -14.810 -3.118 1.00 70.04 H new ATOM 0 HB ILE A 78 2.008 -14.472 -4.202 1.00 15.11 H new ATOM 0 HG12 ILE A 78 1.695 -15.697 -1.931 1.00 31.40 H new ATOM 0 HG13 ILE A 78 2.853 -14.387 -2.057 1.00 31.40 H new ATOM 0 HG21 ILE A 78 1.782 -12.181 -3.330 1.00 23.31 H new ATOM 0 HG22 ILE A 78 0.583 -12.538 -4.596 1.00 23.31 H new ATOM 0 HG23 ILE A 78 0.093 -12.522 -2.885 1.00 23.31 H new ATOM 0 HD11 ILE A 78 1.472 -14.142 -0.017 1.00 44.32 H new ATOM 0 HD12 ILE A 78 1.171 -12.793 -1.138 1.00 44.32 H new ATOM 0 HD13 ILE A 78 -0.005 -14.123 -1.009 1.00 44.32 H new ATOM 1361 N PHE A 79 -1.429 -13.920 -5.330 1.00 54.23 N ATOM 1362 CA PHE A 79 -2.027 -13.591 -6.612 1.00 2.04 C ATOM 1363 C PHE A 79 -2.099 -12.076 -6.811 1.00 53.42 C ATOM 1364 O PHE A 79 -2.665 -11.364 -5.983 1.00 2.01 O ATOM 1365 CB PHE A 79 -3.447 -14.160 -6.603 1.00 31.10 C ATOM 1366 CG PHE A 79 -3.562 -15.556 -7.219 1.00 60.10 C ATOM 1367 CD1 PHE A 79 -3.331 -15.734 -8.548 1.00 30.00 C ATOM 1368 CD2 PHE A 79 -3.895 -16.619 -6.438 1.00 2.43 C ATOM 1369 CE1 PHE A 79 -3.437 -17.030 -9.120 1.00 1.54 C ATOM 1370 CE2 PHE A 79 -4.002 -17.914 -7.010 1.00 63.12 C ATOM 1371 CZ PHE A 79 -3.770 -18.092 -8.338 1.00 62.01 C ATOM 0 H PHE A 79 -1.758 -13.354 -4.548 1.00 54.23 H new ATOM 0 HA PHE A 79 -1.427 -14.009 -7.420 1.00 2.04 H new ATOM 0 HB2 PHE A 79 -3.806 -14.197 -5.574 1.00 31.10 H new ATOM 0 HB3 PHE A 79 -4.104 -13.480 -7.145 1.00 31.10 H new ATOM 0 HD1 PHE A 79 -3.067 -14.890 -9.168 1.00 30.00 H new ATOM 0 HD2 PHE A 79 -4.078 -16.478 -5.383 1.00 2.43 H new ATOM 0 HE1 PHE A 79 -3.253 -17.172 -10.175 1.00 1.54 H new ATOM 0 HE2 PHE A 79 -4.268 -18.758 -6.390 1.00 63.12 H new ATOM 0 HZ PHE A 79 -3.850 -19.078 -8.772 1.00 62.01 H new ATOM 1381 N VAL A 80 -1.517 -11.627 -7.913 1.00 21.44 N ATOM 1382 CA VAL A 80 -1.508 -10.209 -8.231 1.00 62.12 C ATOM 1383 C VAL A 80 -2.065 -10.003 -9.641 1.00 53.14 C ATOM 1384 O VAL A 80 -1.382 -10.274 -10.628 1.00 72.31 O ATOM 1385 CB VAL A 80 -0.096 -9.643 -8.057 1.00 75.21 C ATOM 1386 CG1 VAL A 80 -0.140 -8.141 -7.770 1.00 74.51 C ATOM 1387 CG2 VAL A 80 0.662 -10.389 -6.958 1.00 72.24 C ATOM 0 H VAL A 80 -1.048 -12.220 -8.597 1.00 21.44 H new ATOM 0 HA VAL A 80 -2.152 -9.659 -7.544 1.00 62.12 H new ATOM 0 HB VAL A 80 0.442 -9.790 -8.994 1.00 75.21 H new ATOM 0 HG11 VAL A 80 0.876 -7.764 -7.651 1.00 74.51 H new ATOM 0 HG12 VAL A 80 -0.623 -7.626 -8.600 1.00 74.51 H new ATOM 0 HG13 VAL A 80 -0.704 -7.962 -6.854 1.00 74.51 H new ATOM 0 HG21 VAL A 80 1.662 -9.967 -6.855 1.00 72.24 H new ATOM 0 HG22 VAL A 80 0.127 -10.288 -6.014 1.00 72.24 H new ATOM 0 HG23 VAL A 80 0.739 -11.444 -7.221 1.00 72.24 H new ATOM 1397 N ASN A 81 -3.300 -9.528 -9.691 1.00 42.00 N ATOM 1398 CA ASN A 81 -3.956 -9.283 -10.964 1.00 42.34 C ATOM 1399 C ASN A 81 -4.263 -10.621 -11.640 1.00 23.52 C ATOM 1400 O ASN A 81 -4.413 -10.684 -12.859 1.00 11.11 O ATOM 1401 CB ASN A 81 -3.057 -8.476 -11.902 1.00 33.42 C ATOM 1402 CG ASN A 81 -2.245 -7.438 -11.123 1.00 32.13 C ATOM 1403 OD1 ASN A 81 -2.720 -6.368 -10.781 1.00 74.42 O ATOM 1404 ND2 ASN A 81 -0.996 -7.816 -10.861 1.00 23.44 N ATOM 0 H ASN A 81 -3.864 -9.306 -8.871 1.00 42.00 H new ATOM 0 HA ASN A 81 -4.870 -8.721 -10.769 1.00 42.34 H new ATOM 0 HB2 ASN A 81 -2.382 -9.148 -12.432 1.00 33.42 H new ATOM 0 HB3 ASN A 81 -3.666 -7.976 -12.655 1.00 33.42 H new ATOM 0 HD21 ASN A 81 -0.373 -7.195 -10.344 1.00 23.44 H new ATOM 0 HD22 ASN A 81 -0.662 -8.727 -11.177 1.00 23.44 H new ATOM 1411 N ASP A 82 -4.349 -11.657 -10.818 1.00 73.32 N ATOM 1412 CA ASP A 82 -4.637 -12.989 -11.322 1.00 23.32 C ATOM 1413 C ASP A 82 -3.345 -13.619 -11.850 1.00 11.03 C ATOM 1414 O ASP A 82 -3.387 -14.518 -12.689 1.00 50.53 O ATOM 1415 CB ASP A 82 -5.643 -12.939 -12.473 1.00 70.50 C ATOM 1416 CG ASP A 82 -6.766 -11.914 -12.306 1.00 21.54 C ATOM 1417 OD1 ASP A 82 -6.806 -10.889 -13.004 1.00 75.13 O ATOM 1418 OD2 ASP A 82 -7.638 -12.204 -11.400 1.00 63.05 O ATOM 0 H ASP A 82 -4.224 -11.601 -9.807 1.00 73.32 H new ATOM 0 HA ASP A 82 -5.056 -13.575 -10.504 1.00 23.32 H new ATOM 0 HB2 ASP A 82 -5.106 -12.720 -13.396 1.00 70.50 H new ATOM 0 HB3 ASP A 82 -6.088 -13.927 -12.590 1.00 70.50 H new ATOM 1424 N THR A 83 -2.230 -13.123 -11.337 1.00 42.44 N ATOM 1425 CA THR A 83 -0.929 -13.624 -11.746 1.00 61.11 C ATOM 1426 C THR A 83 -0.161 -14.165 -10.538 1.00 21.15 C ATOM 1427 O THR A 83 -0.373 -13.715 -9.413 1.00 74.25 O ATOM 1428 CB THR A 83 -0.196 -12.498 -12.477 1.00 23.31 C ATOM 1429 OG1 THR A 83 0.683 -13.178 -13.370 1.00 43.30 O ATOM 1430 CG2 THR A 83 0.743 -11.715 -11.555 1.00 30.14 C ATOM 0 H THR A 83 -2.200 -12.378 -10.641 1.00 42.44 H new ATOM 0 HA THR A 83 -1.028 -14.465 -12.432 1.00 61.11 H new ATOM 0 HB THR A 83 -0.924 -11.817 -12.917 1.00 23.31 H new ATOM 0 HG1 THR A 83 1.197 -12.522 -13.886 1.00 43.30 H new ATOM 0 HG21 THR A 83 1.238 -10.928 -12.124 1.00 30.14 H new ATOM 0 HG22 THR A 83 0.168 -11.269 -10.743 1.00 30.14 H new ATOM 0 HG23 THR A 83 1.492 -12.390 -11.141 1.00 30.14 H new ATOM 1438 N LEU A 84 0.712 -15.122 -10.812 1.00 12.33 N ATOM 1439 CA LEU A 84 1.512 -15.729 -9.761 1.00 64.22 C ATOM 1440 C LEU A 84 2.984 -15.374 -9.977 1.00 22.45 C ATOM 1441 O LEU A 84 3.648 -15.959 -10.833 1.00 1.12 O ATOM 1442 CB LEU A 84 1.247 -17.235 -9.687 1.00 62.51 C ATOM 1443 CG LEU A 84 0.420 -17.711 -8.490 1.00 1.30 C ATOM 1444 CD1 LEU A 84 -0.060 -19.149 -8.694 1.00 31.45 C ATOM 1445 CD2 LEU A 84 1.203 -17.548 -7.185 1.00 5.15 C ATOM 0 H LEU A 84 0.884 -15.493 -11.747 1.00 12.33 H new ATOM 0 HA LEU A 84 1.227 -15.330 -8.787 1.00 64.22 H new ATOM 0 HB2 LEU A 84 0.737 -17.540 -10.601 1.00 62.51 H new ATOM 0 HB3 LEU A 84 2.206 -17.753 -9.670 1.00 62.51 H new ATOM 0 HG LEU A 84 -0.467 -17.083 -8.415 1.00 1.30 H new ATOM 0 HD11 LEU A 84 -0.645 -19.463 -7.830 1.00 31.45 H new ATOM 0 HD12 LEU A 84 -0.679 -19.202 -9.590 1.00 31.45 H new ATOM 0 HD13 LEU A 84 0.801 -19.807 -8.808 1.00 31.45 H new ATOM 0 HD21 LEU A 84 0.594 -17.893 -6.350 1.00 5.15 H new ATOM 0 HD22 LEU A 84 2.119 -18.137 -7.234 1.00 5.15 H new ATOM 0 HD23 LEU A 84 1.455 -16.497 -7.041 1.00 5.15 H new ATOM 1457 N PRO A 85 3.465 -14.393 -9.167 1.00 73.14 N ATOM 1458 CA PRO A 85 4.846 -13.954 -9.263 1.00 54.01 C ATOM 1459 C PRO A 85 5.792 -14.981 -8.637 1.00 31.32 C ATOM 1460 O PRO A 85 5.390 -15.754 -7.768 1.00 23.50 O ATOM 1461 CB PRO A 85 4.879 -12.608 -8.556 1.00 13.52 C ATOM 1462 CG PRO A 85 3.630 -12.558 -7.692 1.00 42.32 C ATOM 1463 CD PRO A 85 2.708 -13.679 -8.143 1.00 13.01 C ATOM 0 HA PRO A 85 5.187 -13.857 -10.294 1.00 54.01 H new ATOM 0 HB2 PRO A 85 5.778 -12.509 -7.948 1.00 13.52 H new ATOM 0 HB3 PRO A 85 4.889 -11.789 -9.276 1.00 13.52 H new ATOM 0 HG2 PRO A 85 3.888 -12.676 -6.640 1.00 42.32 H new ATOM 0 HG3 PRO A 85 3.135 -11.592 -7.792 1.00 42.32 H new ATOM 0 HD2 PRO A 85 2.448 -14.336 -7.313 1.00 13.01 H new ATOM 0 HD3 PRO A 85 1.773 -13.286 -8.543 1.00 13.01 H new ATOM 1471 N PRO A 86 7.064 -14.956 -9.115 1.00 12.01 N ATOM 1472 CA PRO A 86 8.072 -15.876 -8.612 1.00 0.14 C ATOM 1473 C PRO A 86 8.550 -15.457 -7.220 1.00 13.22 C ATOM 1474 O PRO A 86 8.116 -14.436 -6.692 1.00 70.44 O ATOM 1475 CB PRO A 86 9.180 -15.853 -9.653 1.00 21.33 C ATOM 1476 CG PRO A 86 8.968 -14.583 -10.460 1.00 1.45 C ATOM 1477 CD PRO A 86 7.577 -14.056 -10.144 1.00 12.41 C ATOM 0 HA PRO A 86 7.690 -16.888 -8.479 1.00 0.14 H new ATOM 0 HB2 PRO A 86 10.161 -15.855 -9.179 1.00 21.33 H new ATOM 0 HB3 PRO A 86 9.133 -16.734 -10.293 1.00 21.33 H new ATOM 0 HG2 PRO A 86 9.724 -13.840 -10.208 1.00 1.45 H new ATOM 0 HG3 PRO A 86 9.066 -14.788 -11.526 1.00 1.45 H new ATOM 0 HD2 PRO A 86 7.615 -13.027 -9.787 1.00 12.41 H new ATOM 0 HD3 PRO A 86 6.941 -14.063 -11.029 1.00 12.41 H new ATOM 1485 N THR A 87 9.439 -16.269 -6.668 1.00 44.33 N ATOM 1486 CA THR A 87 9.981 -15.997 -5.347 1.00 62.41 C ATOM 1487 C THR A 87 11.060 -14.914 -5.427 1.00 30.31 C ATOM 1488 O THR A 87 11.206 -14.108 -4.511 1.00 14.22 O ATOM 1489 CB THR A 87 10.486 -17.316 -4.761 1.00 10.12 C ATOM 1490 OG1 THR A 87 11.706 -17.561 -5.456 1.00 55.12 O ATOM 1491 CG2 THR A 87 9.597 -18.502 -5.140 1.00 50.43 C ATOM 0 H THR A 87 9.798 -17.115 -7.111 1.00 44.33 H new ATOM 0 HA THR A 87 9.216 -15.601 -4.679 1.00 62.41 H new ATOM 0 HB THR A 87 10.540 -17.234 -3.675 1.00 10.12 H new ATOM 0 HG1 THR A 87 12.102 -18.398 -5.136 1.00 55.12 H new ATOM 0 HG21 THR A 87 9.999 -19.414 -4.699 1.00 50.43 H new ATOM 0 HG22 THR A 87 8.587 -18.333 -4.767 1.00 50.43 H new ATOM 0 HG23 THR A 87 9.570 -18.605 -6.225 1.00 50.43 H new ATOM 1499 N ALA A 88 11.792 -14.934 -6.532 1.00 71.44 N ATOM 1500 CA ALA A 88 12.854 -13.966 -6.744 1.00 13.45 C ATOM 1501 C ALA A 88 12.246 -12.643 -7.215 1.00 44.20 C ATOM 1502 O ALA A 88 12.970 -11.702 -7.532 1.00 63.25 O ATOM 1503 CB ALA A 88 13.868 -14.529 -7.742 1.00 64.41 C ATOM 0 H ALA A 88 11.670 -15.606 -7.290 1.00 71.44 H new ATOM 0 HA ALA A 88 13.387 -13.772 -5.813 1.00 13.45 H new ATOM 0 HB1 ALA A 88 14.665 -13.802 -7.901 1.00 64.41 H new ATOM 0 HB2 ALA A 88 14.293 -15.452 -7.348 1.00 64.41 H new ATOM 0 HB3 ALA A 88 13.370 -14.734 -8.690 1.00 64.41 H new ATOM 1509 N ALA A 89 10.922 -12.616 -7.245 1.00 34.45 N ATOM 1510 CA ALA A 89 10.207 -11.424 -7.673 1.00 73.43 C ATOM 1511 C ALA A 89 10.202 -10.402 -6.534 1.00 42.11 C ATOM 1512 O ALA A 89 9.142 -10.027 -6.037 1.00 30.52 O ATOM 1513 CB ALA A 89 8.795 -11.807 -8.119 1.00 61.45 C ATOM 0 H ALA A 89 10.325 -13.400 -6.980 1.00 34.45 H new ATOM 0 HA ALA A 89 10.704 -10.964 -8.527 1.00 73.43 H new ATOM 0 HB1 ALA A 89 8.260 -10.913 -8.440 1.00 61.45 H new ATOM 0 HB2 ALA A 89 8.854 -12.512 -8.948 1.00 61.45 H new ATOM 0 HB3 ALA A 89 8.264 -12.269 -7.287 1.00 61.45 H new ATOM 1519 N LEU A 90 11.399 -9.981 -6.154 1.00 64.42 N ATOM 1520 CA LEU A 90 11.546 -9.010 -5.082 1.00 63.51 C ATOM 1521 C LEU A 90 10.311 -8.108 -5.045 1.00 52.21 C ATOM 1522 O LEU A 90 9.948 -7.504 -6.054 1.00 54.01 O ATOM 1523 CB LEU A 90 12.863 -8.244 -5.230 1.00 34.25 C ATOM 1524 CG LEU A 90 14.135 -9.030 -4.906 1.00 71.21 C ATOM 1525 CD1 LEU A 90 15.343 -8.095 -4.797 1.00 54.54 C ATOM 1526 CD2 LEU A 90 13.951 -9.878 -3.647 1.00 41.31 C ATOM 0 H LEU A 90 12.277 -10.294 -6.569 1.00 64.42 H new ATOM 0 HA LEU A 90 11.603 -9.513 -4.117 1.00 63.51 H new ATOM 0 HB2 LEU A 90 12.936 -7.880 -6.255 1.00 34.25 H new ATOM 0 HB3 LEU A 90 12.826 -7.368 -4.582 1.00 34.25 H new ATOM 0 HG LEU A 90 14.331 -9.717 -5.729 1.00 71.21 H new ATOM 0 HD11 LEU A 90 16.235 -8.678 -4.566 1.00 54.54 H new ATOM 0 HD12 LEU A 90 15.486 -7.573 -5.743 1.00 54.54 H new ATOM 0 HD13 LEU A 90 15.170 -7.368 -4.004 1.00 54.54 H new ATOM 0 HD21 LEU A 90 14.870 -10.426 -3.440 1.00 41.31 H new ATOM 0 HD22 LEU A 90 13.717 -9.230 -2.803 1.00 41.31 H new ATOM 0 HD23 LEU A 90 13.134 -10.584 -3.800 1.00 41.31 H new ATOM 1538 N MET A 91 9.699 -8.045 -3.872 1.00 32.43 N ATOM 1539 CA MET A 91 8.512 -7.228 -3.690 1.00 22.31 C ATOM 1540 C MET A 91 8.754 -5.795 -4.172 1.00 44.01 C ATOM 1541 O MET A 91 7.805 -5.062 -4.449 1.00 41.02 O ATOM 1542 CB MET A 91 8.127 -7.209 -2.209 1.00 61.30 C ATOM 1543 CG MET A 91 7.946 -8.631 -1.671 1.00 10.20 C ATOM 1544 SD MET A 91 6.513 -9.387 -2.420 1.00 71.21 S ATOM 1545 CE MET A 91 5.335 -8.058 -2.246 1.00 3.14 C ATOM 0 H MET A 91 10.003 -8.547 -3.038 1.00 32.43 H new ATOM 0 HA MET A 91 7.703 -7.659 -4.280 1.00 22.31 H new ATOM 0 HB2 MET A 91 8.898 -6.695 -1.636 1.00 61.30 H new ATOM 0 HB3 MET A 91 7.203 -6.646 -2.077 1.00 61.30 H new ATOM 0 HG2 MET A 91 8.834 -9.225 -1.884 1.00 10.20 H new ATOM 0 HG3 MET A 91 7.831 -8.607 -0.587 1.00 10.20 H new ATOM 0 HE1 MET A 91 4.327 -8.444 -2.396 1.00 3.14 H new ATOM 0 HE2 MET A 91 5.415 -7.629 -1.247 1.00 3.14 H new ATOM 0 HE3 MET A 91 5.543 -7.288 -2.989 1.00 3.14 H new ATOM 1555 N SER A 92 10.027 -5.441 -4.258 1.00 61.22 N ATOM 1556 CA SER A 92 10.406 -4.110 -4.701 1.00 10.22 C ATOM 1557 C SER A 92 10.178 -3.978 -6.209 1.00 3.55 C ATOM 1558 O SER A 92 9.807 -2.909 -6.693 1.00 30.35 O ATOM 1559 CB SER A 92 11.864 -3.808 -4.355 1.00 12.35 C ATOM 1560 OG SER A 92 12.217 -2.461 -4.658 1.00 55.11 O ATOM 0 H SER A 92 10.810 -6.053 -4.028 1.00 61.22 H new ATOM 0 HA SER A 92 9.781 -3.384 -4.180 1.00 10.22 H new ATOM 0 HB2 SER A 92 12.031 -3.997 -3.295 1.00 12.35 H new ATOM 0 HB3 SER A 92 12.515 -4.486 -4.906 1.00 12.35 H new ATOM 0 HG SER A 92 13.189 -2.354 -4.589 1.00 55.11 H new ATOM 1566 N ALA A 93 10.413 -5.078 -6.909 1.00 51.43 N ATOM 1567 CA ALA A 93 10.240 -5.097 -8.351 1.00 44.32 C ATOM 1568 C ALA A 93 8.797 -5.485 -8.682 1.00 70.44 C ATOM 1569 O ALA A 93 8.376 -5.400 -9.835 1.00 35.31 O ATOM 1570 CB ALA A 93 11.259 -6.055 -8.975 1.00 51.33 C ATOM 0 H ALA A 93 10.722 -5.962 -6.504 1.00 51.43 H new ATOM 0 HA ALA A 93 10.421 -4.108 -8.772 1.00 44.32 H new ATOM 0 HB1 ALA A 93 11.129 -6.070 -10.057 1.00 51.33 H new ATOM 0 HB2 ALA A 93 12.268 -5.720 -8.735 1.00 51.33 H new ATOM 0 HB3 ALA A 93 11.106 -7.058 -8.578 1.00 51.33 H new ATOM 1576 N ILE A 94 8.080 -5.903 -7.649 1.00 40.34 N ATOM 1577 CA ILE A 94 6.691 -6.304 -7.816 1.00 0.42 C ATOM 1578 C ILE A 94 5.791 -5.075 -7.676 1.00 61.53 C ATOM 1579 O ILE A 94 4.900 -4.859 -8.496 1.00 44.40 O ATOM 1580 CB ILE A 94 6.342 -7.437 -6.850 1.00 24.11 C ATOM 1581 CG1 ILE A 94 7.207 -8.671 -7.116 1.00 53.44 C ATOM 1582 CG2 ILE A 94 4.848 -7.762 -6.904 1.00 24.34 C ATOM 1583 CD1 ILE A 94 6.824 -9.334 -8.441 1.00 10.40 C ATOM 0 H ILE A 94 8.433 -5.973 -6.695 1.00 40.34 H new ATOM 0 HA ILE A 94 6.527 -6.707 -8.815 1.00 0.42 H new ATOM 0 HB ILE A 94 6.563 -7.102 -5.837 1.00 24.11 H new ATOM 0 HG12 ILE A 94 8.258 -8.384 -7.139 1.00 53.44 H new ATOM 0 HG13 ILE A 94 7.089 -9.385 -6.301 1.00 53.44 H new ATOM 0 HG21 ILE A 94 4.626 -8.571 -6.208 1.00 24.34 H new ATOM 0 HG22 ILE A 94 4.273 -6.878 -6.628 1.00 24.34 H new ATOM 0 HG23 ILE A 94 4.579 -8.069 -7.915 1.00 24.34 H new ATOM 0 HD11 ILE A 94 7.454 -10.208 -8.606 1.00 10.40 H new ATOM 0 HD12 ILE A 94 5.779 -9.641 -8.405 1.00 10.40 H new ATOM 0 HD13 ILE A 94 6.966 -8.625 -9.257 1.00 10.40 H new ATOM 1595 N TYR A 95 6.053 -4.306 -6.630 1.00 51.15 N ATOM 1596 CA TYR A 95 5.277 -3.105 -6.372 1.00 20.24 C ATOM 1597 C TYR A 95 5.556 -2.032 -7.427 1.00 42.21 C ATOM 1598 O TYR A 95 4.905 -0.989 -7.445 1.00 45.41 O ATOM 1599 CB TYR A 95 5.736 -2.592 -5.005 1.00 42.53 C ATOM 1600 CG TYR A 95 5.172 -1.218 -4.635 1.00 20.22 C ATOM 1601 CD1 TYR A 95 5.657 -0.083 -5.252 1.00 42.40 C ATOM 1602 CD2 TYR A 95 4.178 -1.115 -3.683 1.00 32.12 C ATOM 1603 CE1 TYR A 95 5.126 1.209 -4.903 1.00 23.54 C ATOM 1604 CE2 TYR A 95 3.646 0.177 -3.334 1.00 52.14 C ATOM 1605 CZ TYR A 95 4.146 1.275 -3.962 1.00 24.44 C ATOM 1606 OH TYR A 95 3.644 2.496 -3.632 1.00 51.50 O ATOM 0 H TYR A 95 6.792 -4.491 -5.951 1.00 51.15 H new ATOM 0 HA TYR A 95 4.210 -3.325 -6.400 1.00 20.24 H new ATOM 0 HB2 TYR A 95 5.442 -3.312 -4.241 1.00 42.53 H new ATOM 0 HB3 TYR A 95 6.825 -2.542 -4.994 1.00 42.53 H new ATOM 0 HD1 TYR A 95 6.435 -0.164 -5.997 1.00 42.40 H new ATOM 0 HD2 TYR A 95 3.799 -2.003 -3.200 1.00 32.12 H new ATOM 0 HE1 TYR A 95 5.497 2.105 -5.378 1.00 23.54 H new ATOM 0 HE2 TYR A 95 2.868 0.272 -2.591 1.00 52.14 H new ATOM 0 HH TYR A 95 3.700 3.093 -4.407 1.00 51.50 H new ATOM 1616 N GLN A 96 6.526 -2.327 -8.281 1.00 41.34 N ATOM 1617 CA GLN A 96 6.899 -1.402 -9.337 1.00 40.14 C ATOM 1618 C GLN A 96 6.248 -1.813 -10.659 1.00 73.33 C ATOM 1619 O GLN A 96 6.232 -1.040 -11.615 1.00 35.05 O ATOM 1620 CB GLN A 96 8.421 -1.317 -9.479 1.00 62.44 C ATOM 1621 CG GLN A 96 8.846 -1.492 -10.937 1.00 73.05 C ATOM 1622 CD GLN A 96 10.369 -1.429 -11.076 1.00 52.22 C ATOM 1623 OE1 GLN A 96 11.104 -1.378 -10.104 1.00 22.34 O ATOM 1624 NE2 GLN A 96 10.798 -1.435 -12.335 1.00 34.13 N ATOM 0 H GLN A 96 7.064 -3.193 -8.263 1.00 41.34 H new ATOM 0 HA GLN A 96 6.535 -0.410 -9.069 1.00 40.14 H new ATOM 0 HB2 GLN A 96 8.771 -0.354 -9.108 1.00 62.44 H new ATOM 0 HB3 GLN A 96 8.891 -2.085 -8.865 1.00 62.44 H new ATOM 0 HG2 GLN A 96 8.482 -2.448 -11.313 1.00 73.05 H new ATOM 0 HG3 GLN A 96 8.389 -0.714 -11.549 1.00 73.05 H new ATOM 0 HE21 GLN A 96 10.127 -1.479 -13.102 1.00 34.13 H new ATOM 0 HE22 GLN A 96 11.798 -1.395 -12.533 1.00 34.13 H new ATOM 1633 N GLU A 97 5.726 -3.031 -10.670 1.00 32.44 N ATOM 1634 CA GLU A 97 5.074 -3.554 -11.858 1.00 2.21 C ATOM 1635 C GLU A 97 3.578 -3.753 -11.601 1.00 41.50 C ATOM 1636 O GLU A 97 2.810 -3.987 -12.533 1.00 31.31 O ATOM 1637 CB GLU A 97 5.730 -4.859 -12.315 1.00 65.22 C ATOM 1638 CG GLU A 97 5.048 -6.070 -11.672 1.00 55.53 C ATOM 1639 CD GLU A 97 5.803 -7.360 -11.994 1.00 44.43 C ATOM 1640 OE1 GLU A 97 5.237 -8.457 -11.872 1.00 63.43 O ATOM 1641 OE2 GLU A 97 7.022 -7.195 -12.383 1.00 70.13 O ATOM 0 H GLU A 97 5.742 -3.670 -9.875 1.00 32.44 H new ATOM 0 HA GLU A 97 5.191 -2.826 -12.661 1.00 2.21 H new ATOM 0 HB2 GLU A 97 5.672 -4.939 -13.401 1.00 65.22 H new ATOM 0 HB3 GLU A 97 6.788 -4.850 -12.052 1.00 65.22 H new ATOM 0 HG2 GLU A 97 4.999 -5.933 -10.592 1.00 55.53 H new ATOM 0 HG3 GLU A 97 4.021 -6.146 -12.030 1.00 55.53 H new ATOM 1649 N HIS A 98 3.212 -3.652 -10.333 1.00 3.52 N ATOM 1650 CA HIS A 98 1.822 -3.818 -9.940 1.00 21.22 C ATOM 1651 C HIS A 98 1.358 -2.586 -9.159 1.00 61.24 C ATOM 1652 O HIS A 98 0.336 -2.628 -8.477 1.00 1.42 O ATOM 1653 CB HIS A 98 1.629 -5.121 -9.162 1.00 32.21 C ATOM 1654 CG HIS A 98 1.833 -6.367 -9.991 1.00 32.35 C ATOM 1655 ND1 HIS A 98 1.289 -6.525 -11.253 1.00 41.32 N ATOM 1656 CD2 HIS A 98 2.526 -7.511 -9.724 1.00 62.03 C ATOM 1657 CE1 HIS A 98 1.646 -7.714 -11.715 1.00 52.14 C ATOM 1658 NE2 HIS A 98 2.412 -8.324 -10.766 1.00 24.24 N ATOM 0 H HIS A 98 3.853 -3.457 -9.564 1.00 3.52 H new ATOM 0 HA HIS A 98 1.196 -3.898 -10.829 1.00 21.22 H new ATOM 0 HB2 HIS A 98 2.324 -5.137 -8.323 1.00 32.21 H new ATOM 0 HB3 HIS A 98 0.623 -5.136 -8.743 1.00 32.21 H new ATOM 0 HD2 HIS A 98 3.075 -7.720 -8.818 1.00 62.03 H new ATOM 0 HE1 HIS A 98 1.377 -8.128 -12.676 1.00 52.14 H new ATOM 0 HE2 HIS A 98 2.828 -9.252 -10.844 1.00 24.24 H new ATOM 1667 N LYS A 99 2.134 -1.519 -9.286 1.00 12.51 N ATOM 1668 CA LYS A 99 1.815 -0.278 -8.601 1.00 13.43 C ATOM 1669 C LYS A 99 0.397 0.156 -8.972 1.00 32.40 C ATOM 1670 O LYS A 99 -0.104 -0.195 -10.040 1.00 3.15 O ATOM 1671 CB LYS A 99 2.879 0.782 -8.892 1.00 4.34 C ATOM 1672 CG LYS A 99 2.963 1.080 -10.390 1.00 4.14 C ATOM 1673 CD LYS A 99 2.473 2.495 -10.696 1.00 12.25 C ATOM 1674 CE LYS A 99 2.375 2.728 -12.205 1.00 60.42 C ATOM 1675 NZ LYS A 99 1.202 3.573 -12.525 1.00 53.51 N ATOM 0 H LYS A 99 2.982 -1.489 -9.852 1.00 12.51 H new ATOM 0 HA LYS A 99 1.830 -0.425 -7.521 1.00 13.43 H new ATOM 0 HB2 LYS A 99 2.644 1.697 -8.349 1.00 4.34 H new ATOM 0 HB3 LYS A 99 3.848 0.438 -8.531 1.00 4.34 H new ATOM 0 HG2 LYS A 99 3.992 0.967 -10.730 1.00 4.14 H new ATOM 0 HG3 LYS A 99 2.364 0.356 -10.942 1.00 4.14 H new ATOM 0 HD2 LYS A 99 1.498 2.653 -10.236 1.00 12.25 H new ATOM 0 HD3 LYS A 99 3.155 3.223 -10.256 1.00 12.25 H new ATOM 0 HE2 LYS A 99 3.285 3.208 -12.564 1.00 60.42 H new ATOM 0 HE3 LYS A 99 2.293 1.772 -12.722 1.00 60.42 H new ATOM 0 HZ1 LYS A 99 1.151 3.721 -13.553 1.00 53.51 H new ATOM 0 HZ2 LYS A 99 0.335 3.100 -12.200 1.00 53.51 H new ATOM 0 HZ3 LYS A 99 1.296 4.492 -12.047 1.00 53.51 H new ATOM 1689 N ASP A 100 -0.212 0.912 -8.070 1.00 41.20 N ATOM 1690 CA ASP A 100 -1.564 1.397 -8.290 1.00 31.41 C ATOM 1691 C ASP A 100 -1.567 2.926 -8.233 1.00 24.34 C ATOM 1692 O ASP A 100 -0.535 3.543 -7.976 1.00 10.10 O ATOM 1693 CB ASP A 100 -2.517 0.881 -7.210 1.00 64.51 C ATOM 1694 CG ASP A 100 -3.344 -0.342 -7.607 1.00 34.41 C ATOM 1695 OD1 ASP A 100 -4.555 -0.408 -7.347 1.00 4.35 O ATOM 1696 OD2 ASP A 100 -2.687 -1.270 -8.218 1.00 2.43 O ATOM 0 H ASP A 100 0.206 1.200 -7.185 1.00 41.20 H new ATOM 0 HA ASP A 100 -1.897 1.039 -9.264 1.00 31.41 H new ATOM 0 HB2 ASP A 100 -1.936 0.635 -6.322 1.00 64.51 H new ATOM 0 HB3 ASP A 100 -3.197 1.686 -6.933 1.00 64.51 H new ATOM 1702 N LYS A 101 -2.740 3.492 -8.479 1.00 74.24 N ATOM 1703 CA LYS A 101 -2.891 4.938 -8.458 1.00 45.13 C ATOM 1704 C LYS A 101 -2.425 5.476 -7.105 1.00 14.41 C ATOM 1705 O LYS A 101 -1.610 6.395 -7.046 1.00 44.44 O ATOM 1706 CB LYS A 101 -4.326 5.330 -8.816 1.00 61.03 C ATOM 1707 CG LYS A 101 -4.540 5.311 -10.331 1.00 1.14 C ATOM 1708 CD LYS A 101 -5.684 6.243 -10.736 1.00 13.14 C ATOM 1709 CE LYS A 101 -5.319 7.706 -10.471 1.00 51.00 C ATOM 1710 NZ LYS A 101 -6.072 8.600 -11.379 1.00 33.55 N ATOM 0 H LYS A 101 -3.594 2.977 -8.694 1.00 74.24 H new ATOM 0 HA LYS A 101 -2.260 5.399 -9.218 1.00 45.13 H new ATOM 0 HB2 LYS A 101 -5.024 4.643 -8.338 1.00 61.03 H new ATOM 0 HB3 LYS A 101 -4.542 6.325 -8.427 1.00 61.03 H new ATOM 0 HG2 LYS A 101 -3.623 5.615 -10.835 1.00 1.14 H new ATOM 0 HG3 LYS A 101 -4.761 4.295 -10.658 1.00 1.14 H new ATOM 0 HD2 LYS A 101 -5.912 6.107 -11.793 1.00 13.14 H new ATOM 0 HD3 LYS A 101 -6.584 5.983 -10.180 1.00 13.14 H new ATOM 0 HE2 LYS A 101 -5.540 7.960 -9.434 1.00 51.00 H new ATOM 0 HE3 LYS A 101 -4.248 7.851 -10.613 1.00 51.00 H new ATOM 0 HZ1 LYS A 101 -5.813 9.589 -11.186 1.00 33.55 H new ATOM 0 HZ2 LYS A 101 -5.840 8.367 -12.366 1.00 33.55 H new ATOM 0 HZ3 LYS A 101 -7.092 8.473 -11.224 1.00 33.55 H new ATOM 1724 N ASP A 102 -2.962 4.881 -6.050 1.00 24.54 N ATOM 1725 CA ASP A 102 -2.611 5.290 -4.701 1.00 44.11 C ATOM 1726 C ASP A 102 -1.153 4.920 -4.423 1.00 52.35 C ATOM 1727 O ASP A 102 -0.555 5.412 -3.469 1.00 42.15 O ATOM 1728 CB ASP A 102 -3.484 4.580 -3.665 1.00 5.45 C ATOM 1729 CG ASP A 102 -3.679 3.081 -3.903 1.00 13.43 C ATOM 1730 OD1 ASP A 102 -3.219 2.529 -4.913 1.00 41.40 O ATOM 1731 OD2 ASP A 102 -4.343 2.465 -2.984 1.00 40.41 O ATOM 0 H ASP A 102 -3.638 4.119 -6.102 1.00 24.54 H new ATOM 0 HA ASP A 102 -2.764 6.366 -4.625 1.00 44.11 H new ATOM 0 HB2 ASP A 102 -3.040 4.722 -2.680 1.00 5.45 H new ATOM 0 HB3 ASP A 102 -4.462 5.060 -3.646 1.00 5.45 H new ATOM 1737 N GLY A 103 -0.623 4.057 -5.277 1.00 12.34 N ATOM 1738 CA GLY A 103 0.754 3.615 -5.136 1.00 1.51 C ATOM 1739 C GLY A 103 0.829 2.287 -4.377 1.00 42.14 C ATOM 1740 O GLY A 103 1.629 1.416 -4.720 1.00 30.21 O ATOM 0 H GLY A 103 -1.122 3.652 -6.069 1.00 12.34 H new ATOM 0 HA2 GLY A 103 1.206 3.501 -6.121 1.00 1.51 H new ATOM 0 HA3 GLY A 103 1.331 4.374 -4.607 1.00 1.51 H new ATOM 1744 N PHE A 104 -0.014 2.174 -3.362 1.00 53.45 N ATOM 1745 CA PHE A 104 -0.053 0.969 -2.552 1.00 12.24 C ATOM 1746 C PHE A 104 -0.180 -0.277 -3.430 1.00 72.13 C ATOM 1747 O PHE A 104 -0.669 -0.199 -4.556 1.00 71.15 O ATOM 1748 CB PHE A 104 -1.286 1.074 -1.653 1.00 72.42 C ATOM 1749 CG PHE A 104 -1.014 1.729 -0.298 1.00 64.25 C ATOM 1750 CD1 PHE A 104 -0.508 0.991 0.727 1.00 30.24 C ATOM 1751 CD2 PHE A 104 -1.278 3.051 -0.117 1.00 73.23 C ATOM 1752 CE1 PHE A 104 -0.256 1.599 1.985 1.00 70.41 C ATOM 1753 CE2 PHE A 104 -1.025 3.659 1.141 1.00 34.41 C ATOM 1754 CZ PHE A 104 -0.520 2.921 2.166 1.00 62.30 C ATOM 0 H PHE A 104 -0.676 2.898 -3.082 1.00 53.45 H new ATOM 0 HA PHE A 104 0.866 0.880 -1.972 1.00 12.24 H new ATOM 0 HB2 PHE A 104 -2.055 1.645 -2.173 1.00 72.42 H new ATOM 0 HB3 PHE A 104 -1.689 0.075 -1.488 1.00 72.42 H new ATOM 0 HD1 PHE A 104 -0.298 -0.059 0.583 1.00 30.24 H new ATOM 0 HD2 PHE A 104 -1.680 3.638 -0.930 1.00 73.23 H new ATOM 0 HE1 PHE A 104 0.145 1.012 2.798 1.00 70.41 H new ATOM 0 HE2 PHE A 104 -1.234 4.709 1.284 1.00 34.41 H new ATOM 0 HZ PHE A 104 -0.329 3.384 3.123 1.00 62.30 H new ATOM 1764 N LEU A 105 0.266 -1.398 -2.882 1.00 64.23 N ATOM 1765 CA LEU A 105 0.207 -2.659 -3.601 1.00 0.04 C ATOM 1766 C LEU A 105 -1.002 -3.462 -3.117 1.00 11.52 C ATOM 1767 O LEU A 105 -1.298 -3.486 -1.923 1.00 74.42 O ATOM 1768 CB LEU A 105 1.534 -3.410 -3.476 1.00 42.33 C ATOM 1769 CG LEU A 105 2.400 -3.456 -4.737 1.00 21.41 C ATOM 1770 CD1 LEU A 105 2.089 -4.701 -5.569 1.00 42.30 C ATOM 1771 CD2 LEU A 105 2.251 -2.170 -5.552 1.00 71.12 C ATOM 0 H LEU A 105 0.670 -1.459 -1.947 1.00 64.23 H new ATOM 0 HA LEU A 105 0.066 -2.483 -4.667 1.00 0.04 H new ATOM 0 HB2 LEU A 105 2.115 -2.950 -2.677 1.00 42.33 H new ATOM 0 HB3 LEU A 105 1.322 -4.434 -3.167 1.00 42.33 H new ATOM 0 HG LEU A 105 3.444 -3.524 -4.432 1.00 21.41 H new ATOM 0 HD11 LEU A 105 2.718 -4.710 -6.459 1.00 42.30 H new ATOM 0 HD12 LEU A 105 2.287 -5.594 -4.976 1.00 42.30 H new ATOM 0 HD13 LEU A 105 1.040 -4.688 -5.865 1.00 42.30 H new ATOM 0 HD21 LEU A 105 2.877 -2.229 -6.442 1.00 71.12 H new ATOM 0 HD22 LEU A 105 1.209 -2.046 -5.848 1.00 71.12 H new ATOM 0 HD23 LEU A 105 2.560 -1.318 -4.947 1.00 71.12 H new ATOM 1783 N TYR A 106 -1.668 -4.101 -4.067 1.00 53.40 N ATOM 1784 CA TYR A 106 -2.838 -4.903 -3.752 1.00 42.31 C ATOM 1785 C TYR A 106 -2.581 -6.383 -4.039 1.00 52.24 C ATOM 1786 O TYR A 106 -2.832 -6.858 -5.145 1.00 34.34 O ATOM 1787 CB TYR A 106 -3.952 -4.403 -4.674 1.00 64.40 C ATOM 1788 CG TYR A 106 -4.518 -3.037 -4.283 1.00 62.10 C ATOM 1789 CD1 TYR A 106 -5.343 -2.920 -3.182 1.00 34.43 C ATOM 1790 CD2 TYR A 106 -4.204 -1.920 -5.030 1.00 44.43 C ATOM 1791 CE1 TYR A 106 -5.875 -1.634 -2.814 1.00 3.33 C ATOM 1792 CE2 TYR A 106 -4.737 -0.634 -4.663 1.00 41.03 C ATOM 1793 CZ TYR A 106 -5.546 -0.554 -3.573 1.00 45.15 C ATOM 1794 OH TYR A 106 -6.049 0.660 -3.224 1.00 44.34 O ATOM 0 H TYR A 106 -1.420 -4.080 -5.056 1.00 53.40 H new ATOM 0 HA TYR A 106 -3.095 -4.810 -2.697 1.00 42.31 H new ATOM 0 HB2 TYR A 106 -3.569 -4.348 -5.693 1.00 64.40 H new ATOM 0 HB3 TYR A 106 -4.762 -5.133 -4.677 1.00 64.40 H new ATOM 0 HD1 TYR A 106 -5.589 -3.794 -2.597 1.00 34.43 H new ATOM 0 HD2 TYR A 106 -3.558 -2.011 -5.891 1.00 44.43 H new ATOM 0 HE1 TYR A 106 -6.521 -1.529 -1.955 1.00 3.33 H new ATOM 0 HE2 TYR A 106 -4.500 0.247 -5.240 1.00 41.03 H new ATOM 0 HH TYR A 106 -5.367 1.350 -3.366 1.00 44.34 H new ATOM 1804 N VAL A 107 -2.084 -7.072 -3.022 1.00 22.34 N ATOM 1805 CA VAL A 107 -1.789 -8.490 -3.150 1.00 40.22 C ATOM 1806 C VAL A 107 -2.913 -9.299 -2.499 1.00 71.32 C ATOM 1807 O VAL A 107 -3.727 -8.753 -1.757 1.00 62.14 O ATOM 1808 CB VAL A 107 -0.413 -8.794 -2.557 1.00 15.44 C ATOM 1809 CG1 VAL A 107 -0.415 -8.605 -1.039 1.00 53.13 C ATOM 1810 CG2 VAL A 107 0.047 -10.204 -2.934 1.00 51.41 C ATOM 0 H VAL A 107 -1.878 -6.675 -2.105 1.00 22.34 H new ATOM 0 HA VAL A 107 -1.745 -8.779 -4.200 1.00 40.22 H new ATOM 0 HB VAL A 107 0.298 -8.085 -2.981 1.00 15.44 H new ATOM 0 HG11 VAL A 107 0.576 -8.828 -0.643 1.00 53.13 H new ATOM 0 HG12 VAL A 107 -0.677 -7.574 -0.801 1.00 53.13 H new ATOM 0 HG13 VAL A 107 -1.145 -9.278 -0.589 1.00 53.13 H new ATOM 0 HG21 VAL A 107 1.028 -10.395 -2.500 1.00 51.41 H new ATOM 0 HG22 VAL A 107 -0.667 -10.934 -2.552 1.00 51.41 H new ATOM 0 HG23 VAL A 107 0.108 -10.289 -4.019 1.00 51.41 H new ATOM 1820 N THR A 108 -2.921 -10.589 -2.803 1.00 21.14 N ATOM 1821 CA THR A 108 -3.932 -11.479 -2.257 1.00 55.41 C ATOM 1822 C THR A 108 -3.396 -12.911 -2.184 1.00 62.50 C ATOM 1823 O THR A 108 -2.881 -13.436 -3.171 1.00 11.44 O ATOM 1824 CB THR A 108 -5.192 -11.345 -3.113 1.00 74.21 C ATOM 1825 OG1 THR A 108 -5.138 -10.008 -3.601 1.00 40.54 O ATOM 1826 CG2 THR A 108 -6.472 -11.385 -2.277 1.00 22.42 C ATOM 0 H THR A 108 -2.244 -11.039 -3.420 1.00 21.14 H new ATOM 0 HA THR A 108 -4.188 -11.207 -1.233 1.00 55.41 H new ATOM 0 HB THR A 108 -5.216 -12.145 -3.853 1.00 74.21 H new ATOM 0 HG1 THR A 108 -5.918 -9.835 -4.168 1.00 40.54 H new ATOM 0 HG21 THR A 108 -7.338 -11.286 -2.932 1.00 22.42 H new ATOM 0 HG22 THR A 108 -6.528 -12.333 -1.742 1.00 22.42 H new ATOM 0 HG23 THR A 108 -6.464 -10.564 -1.560 1.00 22.42 H new ATOM 1834 N TYR A 109 -3.537 -13.502 -1.008 1.00 43.11 N ATOM 1835 CA TYR A 109 -3.074 -14.863 -0.794 1.00 32.00 C ATOM 1836 C TYR A 109 -4.254 -15.829 -0.665 1.00 31.13 C ATOM 1837 O TYR A 109 -5.205 -15.558 0.066 1.00 1.41 O ATOM 1838 CB TYR A 109 -2.300 -14.844 0.526 1.00 63.54 C ATOM 1839 CG TYR A 109 -3.183 -14.668 1.763 1.00 53.43 C ATOM 1840 CD1 TYR A 109 -3.557 -13.405 2.174 1.00 61.31 C ATOM 1841 CD2 TYR A 109 -3.608 -15.777 2.469 1.00 21.34 C ATOM 1842 CE1 TYR A 109 -4.388 -13.242 3.337 1.00 51.34 C ATOM 1843 CE2 TYR A 109 -4.439 -15.612 3.632 1.00 12.40 C ATOM 1844 CZ TYR A 109 -4.789 -14.353 4.010 1.00 12.31 C ATOM 1845 OH TYR A 109 -5.574 -14.199 5.110 1.00 35.34 O ATOM 0 H TYR A 109 -3.965 -13.064 -0.192 1.00 43.11 H new ATOM 0 HA TYR A 109 -2.462 -15.196 -1.632 1.00 32.00 H new ATOM 0 HB2 TYR A 109 -1.741 -15.775 0.621 1.00 63.54 H new ATOM 0 HB3 TYR A 109 -1.570 -14.035 0.496 1.00 63.54 H new ATOM 0 HD1 TYR A 109 -3.226 -12.538 1.622 1.00 61.31 H new ATOM 0 HD2 TYR A 109 -3.317 -16.766 2.148 1.00 21.34 H new ATOM 0 HE1 TYR A 109 -4.687 -12.258 3.668 1.00 51.34 H new ATOM 0 HE2 TYR A 109 -4.778 -16.470 4.193 1.00 12.40 H new ATOM 0 HH TYR A 109 -5.784 -15.079 5.488 1.00 35.34 H new ATOM 1855 N SER A 110 -4.152 -16.936 -1.384 1.00 65.21 N ATOM 1856 CA SER A 110 -5.198 -17.944 -1.359 1.00 13.24 C ATOM 1857 C SER A 110 -4.590 -19.325 -1.104 1.00 41.23 C ATOM 1858 O SER A 110 -3.382 -19.510 -1.241 1.00 40.25 O ATOM 1859 CB SER A 110 -5.991 -17.948 -2.669 1.00 42.53 C ATOM 1860 OG SER A 110 -6.515 -19.238 -2.971 1.00 73.50 O ATOM 0 H SER A 110 -3.361 -17.158 -1.988 1.00 65.21 H new ATOM 0 HA SER A 110 -5.886 -17.702 -0.549 1.00 13.24 H new ATOM 0 HB2 SER A 110 -6.809 -17.231 -2.600 1.00 42.53 H new ATOM 0 HB3 SER A 110 -5.347 -17.618 -3.484 1.00 42.53 H new ATOM 0 HG SER A 110 -7.350 -19.142 -3.475 1.00 73.50 H new ATOM 1866 N GLY A 111 -5.454 -20.259 -0.737 1.00 54.34 N ATOM 1867 CA GLY A 111 -5.017 -21.616 -0.460 1.00 10.15 C ATOM 1868 C GLY A 111 -4.942 -22.442 -1.747 1.00 11.13 C ATOM 1869 O GLY A 111 -4.648 -23.634 -1.708 1.00 34.05 O ATOM 0 H GLY A 111 -6.456 -20.103 -0.625 1.00 54.34 H new ATOM 0 HA2 GLY A 111 -4.039 -21.596 0.021 1.00 10.15 H new ATOM 0 HA3 GLY A 111 -5.707 -22.088 0.240 1.00 10.15 H new ATOM 1873 N GLU A 112 -5.213 -21.771 -2.859 1.00 51.04 N ATOM 1874 CA GLU A 112 -5.180 -22.427 -4.155 1.00 65.25 C ATOM 1875 C GLU A 112 -4.199 -21.713 -5.085 1.00 62.14 C ATOM 1876 O GLU A 112 -3.954 -20.516 -4.936 1.00 15.24 O ATOM 1877 CB GLU A 112 -6.578 -22.487 -4.774 1.00 35.22 C ATOM 1878 CG GLU A 112 -6.913 -21.183 -5.499 1.00 43.23 C ATOM 1879 CD GLU A 112 -8.416 -20.898 -5.448 1.00 13.11 C ATOM 1880 OE1 GLU A 112 -9.167 -21.642 -4.799 1.00 1.43 O ATOM 1881 OE2 GLU A 112 -8.797 -19.859 -6.111 1.00 41.42 O ATOM 0 H GLU A 112 -5.456 -20.781 -2.888 1.00 51.04 H new ATOM 0 HA GLU A 112 -4.837 -23.452 -4.014 1.00 65.25 H new ATOM 0 HB2 GLU A 112 -6.634 -23.321 -5.474 1.00 35.22 H new ATOM 0 HB3 GLU A 112 -7.317 -22.674 -3.995 1.00 35.22 H new ATOM 0 HG2 GLU A 112 -6.367 -20.358 -5.042 1.00 43.23 H new ATOM 0 HG3 GLU A 112 -6.586 -21.245 -6.537 1.00 43.23 H new ATOM 1889 N ASN A 113 -3.663 -22.476 -6.026 1.00 71.13 N ATOM 1890 CA ASN A 113 -2.713 -21.931 -6.982 1.00 34.31 C ATOM 1891 C ASN A 113 -3.444 -21.590 -8.283 1.00 20.23 C ATOM 1892 O ASN A 113 -2.847 -21.042 -9.208 1.00 34.14 O ATOM 1893 CB ASN A 113 -1.616 -22.946 -7.309 1.00 45.03 C ATOM 1894 CG ASN A 113 -0.808 -22.507 -8.531 1.00 12.10 C ATOM 1895 OD1 ASN A 113 -1.193 -22.718 -9.669 1.00 30.35 O ATOM 1896 ND2 ASN A 113 0.329 -21.885 -8.235 1.00 31.33 N ATOM 0 H ASN A 113 -3.868 -23.468 -6.147 1.00 71.13 H new ATOM 0 HA ASN A 113 -2.262 -21.043 -6.540 1.00 34.31 H new ATOM 0 HB2 ASN A 113 -0.953 -23.058 -6.451 1.00 45.03 H new ATOM 0 HB3 ASN A 113 -2.063 -23.922 -7.496 1.00 45.03 H new ATOM 0 HD21 ASN A 113 0.938 -21.552 -8.983 1.00 31.33 H new ATOM 0 HD22 ASN A 113 0.592 -21.740 -7.260 1.00 31.33 H new ATOM 2441 N ILE B 629 4.956 -7.414 9.347 1.00 24.41 N ATOM 2442 CA ILE B 629 4.186 -7.694 8.148 1.00 43.42 C ATOM 2443 C ILE B 629 5.142 -7.987 6.990 1.00 31.11 C ATOM 2444 O ILE B 629 4.733 -7.990 5.830 1.00 23.45 O ATOM 2445 CB ILE B 629 3.205 -6.555 7.864 1.00 50.14 C ATOM 2446 CG1 ILE B 629 3.892 -5.194 7.998 1.00 52.51 C ATOM 2447 CG2 ILE B 629 1.967 -6.662 8.757 1.00 41.43 C ATOM 2448 CD1 ILE B 629 5.213 -5.168 7.227 1.00 61.41 C ATOM 0 HA ILE B 629 3.573 -8.584 8.288 1.00 43.42 H new ATOM 0 HB ILE B 629 2.866 -6.645 6.832 1.00 50.14 H new ATOM 0 HG12 ILE B 629 3.233 -4.411 7.623 1.00 52.51 H new ATOM 0 HG13 ILE B 629 4.077 -4.978 9.050 1.00 52.51 H new ATOM 0 HG21 ILE B 629 1.286 -5.840 8.535 1.00 41.43 H new ATOM 0 HG22 ILE B 629 1.464 -7.611 8.570 1.00 41.43 H new ATOM 0 HG23 ILE B 629 2.268 -6.611 9.803 1.00 41.43 H new ATOM 0 HD11 ILE B 629 5.680 -4.190 7.339 1.00 61.41 H new ATOM 0 HD12 ILE B 629 5.879 -5.936 7.621 1.00 61.41 H new ATOM 0 HD13 ILE B 629 5.022 -5.360 6.171 1.00 61.41 H new ATOM 2460 N ALA B 630 6.394 -8.224 7.345 1.00 41.41 N ATOM 2461 CA ALA B 630 7.412 -8.517 6.350 1.00 34.31 C ATOM 2462 C ALA B 630 8.558 -9.289 7.009 1.00 73.25 C ATOM 2463 O ALA B 630 8.435 -9.737 8.147 1.00 11.20 O ATOM 2464 CB ALA B 630 7.883 -7.214 5.702 1.00 15.34 C ATOM 0 H ALA B 630 6.728 -8.219 8.309 1.00 41.41 H new ATOM 0 HA ALA B 630 7.004 -9.146 5.558 1.00 34.31 H new ATOM 0 HB1 ALA B 630 8.646 -7.434 4.956 1.00 15.34 H new ATOM 0 HB2 ALA B 630 7.038 -6.720 5.222 1.00 15.34 H new ATOM 0 HB3 ALA B 630 8.301 -6.558 6.466 1.00 15.34 H new