USER MOD reduce.3.24.130724 H: found=0, std=0, add=1171, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1188 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 120 HIS : no HE2:sc= -1.64 K(o=-2.3,f=-2.9!) USER MOD Set 1.2: A 124 HIS : no HD1:sc= -0.287 K(o=-2.3,f=-5.1) USER MOD Set 1.3: A 128 MET CE :methyl 154:sc= -0.101 (180deg=-1.15) USER MOD Set 1.4: A 130 HIS : no HD1:sc= -0.275 X(o=-2.3,f=-2.2) USER MOD Set 2.1: A 69 HIS :FLIP no HE2:sc= -0.89 F(o=-2.1,f=-1.4) USER MOD Set 2.2: A 84 HIS :FLIP no HE2:sc= -0.183 F(o=-2.3,f=-1.4) USER MOD Set 2.3: A 97 HIS : no HD1:sc= -0.356 X(o=-1.4,f=-1.8) USER MOD Set 3.1: A 80 ASN : amide:sc= -0.292 X(o=-0.29,f=-0.16) USER MOD Set 3.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -148:sc= 1.25 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -74:sc= 0.8 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -154:sc= 1.18 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 131:sc= 0.675 USER MOD Single : A 28 HIS : no HD1:sc= -0.375 K(o=-0.38,f=-0.94) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0196 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 41 MET CE :methyl 147:sc= 0 (180deg=-0.101) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= 0.477 K(o=0.48,f=-1.8!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 93:sc= 0.146 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 41:sc= 0.285 USER MOD Single : A 113 ASN : amide:sc= -1.22 K(o=-1.2,f=-12!) USER MOD Single : A 116 TYR OH : rot -79:sc= 0.00933 USER MOD Single : A 119 THR OG1 : rot 103:sc= 1.21 USER MOD Single : A 125 SER OG : rot -98:sc= 1.29 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc=-0.000611 X(o=-0.00061,f=-0.27) USER MOD Single : A 138 MET CE :methyl -119:sc= -0.809 (180deg=-2.49) USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 TYR OH : rot 47:sc= 1.06 USER MOD Single : A 144 ASN : amide:sc=-0.00767 K(o=-0.0077,f=-0.59) USER MOD Single : A 148 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.28) USER MOD Single : A 149 ASN : amide:sc= -0.141 X(o=-0.14,f=-0.12) USER MOD Single : A 151 LYS NZ :NH3+ -163:sc= -0.0121 (180deg=-0.175) USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 162 LYS NZ :NH3+ -166:sc= 0.853 (180deg=0.749) USER MOD Single : A 164 TYR OH : rot -153:sc= -0.172 USER MOD ----------------------------------------------------------------- ATOM 109 N PRO A 8 -12.873 1.013 8.124 1.00 -0.66 N ATOM 110 CA PRO A 8 -12.063 0.013 7.452 1.00 0.36 C ATOM 111 C PRO A 8 -12.795 -0.466 6.197 1.00 0.57 C ATOM 112 O PRO A 8 -13.669 -1.327 6.284 1.00 -0.57 O ATOM 113 CB PRO A 8 -11.844 -1.093 8.480 1.00 0.00 C ATOM 114 CG PRO A 8 -13.078 -1.025 9.379 1.00 0.00 C ATOM 115 CD PRO A 8 -13.554 0.426 9.273 1.00 0.30 C ATOM 0 HA PRO A 8 -11.099 0.390 7.111 1.00 0.36 H new ATOM 0 HB2 PRO A 8 -11.754 -2.068 8.002 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.928 -0.931 9.049 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -13.849 -1.720 9.047 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -12.834 -1.288 10.408 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -14.636 0.469 9.144 1.00 0.30 H new ATOM 0 HD3 PRO A 8 -13.319 0.977 10.184 1.00 0.30 H new ATOM 123 N LYS A 9 -12.426 0.141 5.061 1.00 -0.73 N ATOM 124 CA LYS A 9 -12.920 -0.034 3.691 1.00 0.36 C ATOM 125 C LYS A 9 -13.883 1.108 3.350 1.00 0.57 C ATOM 126 O LYS A 9 -14.715 1.505 4.168 1.00 -0.57 O ATOM 127 CB LYS A 9 -13.469 -1.444 3.359 1.00 0.00 C ATOM 128 CG LYS A 9 -14.987 -1.654 3.539 1.00 0.00 C ATOM 129 CD LYS A 9 -15.417 -3.132 3.498 1.00 0.00 C ATOM 130 CE LYS A 9 -16.845 -3.259 4.055 1.00 0.50 C ATOM 131 NZ LYS A 9 -17.529 -4.515 3.659 1.00 -0.85 N ATOM 0 H LYS A 9 -11.690 0.847 5.085 1.00 -0.73 H new ATOM 0 HA LYS A 9 -12.057 0.027 3.027 1.00 0.36 H new ATOM 0 HB2 LYS A 9 -13.213 -1.674 2.325 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.948 -2.169 3.985 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.294 -1.222 4.491 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -15.515 -1.109 2.757 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -15.378 -3.506 2.475 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -14.729 -3.740 4.086 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -16.808 -3.203 5.143 1.00 0.50 H new ATOM 0 HE3 LYS A 9 -17.436 -2.410 3.712 1.00 0.50 H new ATOM 0 HZ1 LYS A 9 -18.485 -4.534 4.069 1.00 -0.85 H new ATOM 0 HZ2 LYS A 9 -17.596 -4.562 2.622 1.00 -0.85 H new ATOM 0 HZ3 LYS A 9 -16.987 -5.331 4.008 1.00 -0.85 H new ATOM 145 N TRP A 10 -13.762 1.635 2.130 1.00 -0.73 N ATOM 146 CA TRP A 10 -14.663 2.648 1.590 1.00 0.36 C ATOM 147 C TRP A 10 -16.079 2.083 1.429 1.00 0.57 C ATOM 148 O TRP A 10 -16.268 0.870 1.343 1.00 -0.57 O ATOM 149 CB TRP A 10 -14.134 3.125 0.230 1.00 0.18 C ATOM 150 CG TRP A 10 -12.658 3.368 0.157 1.00 -0.18 C ATOM 151 CD1 TRP A 10 -11.728 2.451 -0.196 1.00 -0.30 C ATOM 152 CD2 TRP A 10 -11.918 4.590 0.459 1.00 0.00 C ATOM 153 NE1 TRP A 10 -10.471 3.010 -0.114 1.00 0.03 N ATOM 154 CE2 TRP A 10 -10.534 4.346 0.212 1.00 -0.15 C ATOM 155 CE3 TRP A 10 -12.272 5.884 0.909 1.00 -0.15 C ATOM 156 CZ2 TRP A 10 -9.561 5.343 0.355 1.00 -0.15 C ATOM 157 CZ3 TRP A 10 -11.297 6.885 1.082 1.00 -0.15 C ATOM 158 CH2 TRP A 10 -9.948 6.615 0.798 1.00 -0.15 C ATOM 0 H TRP A 10 -13.023 1.364 1.481 1.00 -0.73 H new ATOM 0 HA TRP A 10 -14.706 3.488 2.283 1.00 0.36 H new ATOM 0 HB2 TRP A 10 -14.399 2.383 -0.523 1.00 0.18 H new ATOM 0 HB3 TRP A 10 -14.649 4.048 -0.036 1.00 0.18 H new ATOM 0 HD1 TRP A 10 -11.939 1.435 -0.496 1.00 -0.30 H new ATOM 0 HE1 TRP A 10 -9.603 2.498 -0.275 1.00 0.03 H new ATOM 0 HE3 TRP A 10 -13.307 6.107 1.123 1.00 -0.15 H new ATOM 0 HZ2 TRP A 10 -8.526 5.134 0.127 1.00 -0.15 H new ATOM 0 HZ3 TRP A 10 -11.587 7.864 1.434 1.00 -0.15 H new ATOM 0 HH2 TRP A 10 -9.206 7.390 0.921 1.00 -0.15 H new ATOM 169 N THR A 11 -17.078 2.960 1.298 1.00 -0.73 N ATOM 170 CA THR A 11 -18.477 2.553 1.160 1.00 0.36 C ATOM 171 C THR A 11 -18.898 2.385 -0.314 1.00 0.57 C ATOM 172 O THR A 11 -20.070 2.138 -0.597 1.00 -0.57 O ATOM 173 CB THR A 11 -19.367 3.547 1.925 1.00 0.28 C ATOM 174 OG1 THR A 11 -19.193 4.854 1.424 1.00 -0.68 O ATOM 175 CG2 THR A 11 -19.033 3.578 3.423 1.00 0.00 C ATOM 0 H THR A 11 -16.939 3.970 1.285 1.00 -0.73 H new ATOM 0 HA THR A 11 -18.603 1.564 1.601 1.00 0.36 H new ATOM 0 HB THR A 11 -20.395 3.211 1.787 1.00 0.28 H new ATOM 0 HG1 THR A 11 -19.767 5.474 1.920 1.00 -0.68 H new ATOM 0 HG21 THR A 11 -19.684 4.293 3.926 1.00 0.00 H new ATOM 0 HG22 THR A 11 -19.184 2.586 3.850 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.994 3.877 3.558 1.00 0.00 H new ATOM 183 N SER A 12 -17.947 2.491 -1.251 1.00 -0.73 N ATOM 184 CA SER A 12 -18.160 2.300 -2.680 1.00 0.36 C ATOM 185 C SER A 12 -17.479 0.998 -3.118 1.00 0.57 C ATOM 186 O SER A 12 -16.432 0.624 -2.586 1.00 -0.57 O ATOM 187 CB SER A 12 -17.594 3.513 -3.430 1.00 0.28 C ATOM 188 OG SER A 12 -17.656 3.318 -4.826 1.00 -0.68 O ATOM 0 H SER A 12 -16.980 2.719 -1.022 1.00 -0.73 H new ATOM 0 HA SER A 12 -19.223 2.220 -2.908 1.00 0.36 H new ATOM 0 HB2 SER A 12 -18.155 4.407 -3.159 1.00 0.28 H new ATOM 0 HB3 SER A 12 -16.560 3.682 -3.128 1.00 0.28 H new ATOM 0 HG SER A 12 -16.898 3.769 -5.253 1.00 -0.68 H new ATOM 194 N LYS A 13 -18.063 0.321 -4.117 1.00 -0.73 N ATOM 195 CA LYS A 13 -17.457 -0.854 -4.757 1.00 0.36 C ATOM 196 C LYS A 13 -16.289 -0.469 -5.673 1.00 0.57 C ATOM 197 O LYS A 13 -15.497 -1.340 -6.040 1.00 -0.57 O ATOM 198 CB LYS A 13 -18.508 -1.613 -5.591 1.00 0.00 C ATOM 199 CG LYS A 13 -18.676 -3.094 -5.201 1.00 0.00 C ATOM 200 CD LYS A 13 -19.826 -3.339 -4.209 1.00 0.00 C ATOM 201 CE LYS A 13 -19.377 -3.373 -2.743 1.00 0.50 C ATOM 202 NZ LYS A 13 -20.287 -2.631 -1.842 1.00 -0.85 N ATOM 0 H LYS A 13 -18.972 0.574 -4.505 1.00 -0.73 H new ATOM 0 HA LYS A 13 -17.078 -1.490 -3.957 1.00 0.36 H new ATOM 0 HB2 LYS A 13 -19.470 -1.110 -5.487 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -18.230 -1.556 -6.644 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -18.852 -3.681 -6.102 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -17.745 -3.454 -4.763 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -20.574 -2.556 -4.333 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -20.310 -4.284 -4.454 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -19.313 -4.410 -2.412 1.00 0.50 H new ATOM 0 HE3 LYS A 13 -18.375 -2.951 -2.666 1.00 0.50 H new ATOM 0 HZ1 LYS A 13 -19.933 -2.689 -0.866 1.00 -0.85 H new ATOM 0 HZ2 LYS A 13 -20.330 -1.634 -2.136 1.00 -0.85 H new ATOM 0 HZ3 LYS A 13 -21.239 -3.047 -1.890 1.00 -0.85 H new ATOM 216 N VAL A 14 -16.187 0.811 -6.051 1.00 -0.73 N ATOM 217 CA VAL A 14 -15.116 1.331 -6.882 1.00 0.36 C ATOM 218 C VAL A 14 -14.542 2.564 -6.194 1.00 0.57 C ATOM 219 O VAL A 14 -15.286 3.345 -5.595 1.00 -0.57 O ATOM 220 CB VAL A 14 -15.608 1.593 -8.323 1.00 0.00 C ATOM 221 CG1 VAL A 14 -16.575 2.785 -8.434 1.00 0.00 C ATOM 222 CG2 VAL A 14 -14.437 1.803 -9.294 1.00 0.00 C ATOM 0 H VAL A 14 -16.865 1.522 -5.777 1.00 -0.73 H new ATOM 0 HA VAL A 14 -14.315 0.600 -6.989 1.00 0.36 H new ATOM 0 HB VAL A 14 -16.157 0.693 -8.600 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -16.880 2.911 -9.473 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -17.455 2.599 -7.818 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -16.077 3.691 -8.090 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -14.824 1.984 -10.297 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.847 2.661 -8.972 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.808 0.913 -9.303 1.00 0.00 H new ATOM 232 N VAL A 15 -13.230 2.743 -6.299 1.00 -0.73 N ATOM 233 CA VAL A 15 -12.518 3.854 -5.682 1.00 0.36 C ATOM 234 C VAL A 15 -11.720 4.591 -6.760 1.00 0.57 C ATOM 235 O VAL A 15 -11.598 4.100 -7.891 1.00 -0.57 O ATOM 236 CB VAL A 15 -11.660 3.289 -4.530 1.00 0.00 C ATOM 237 CG1 VAL A 15 -10.274 2.847 -5.013 1.00 0.00 C ATOM 238 CG2 VAL A 15 -11.539 4.298 -3.389 1.00 0.00 C ATOM 0 H VAL A 15 -12.624 2.111 -6.822 1.00 -0.73 H new ATOM 0 HA VAL A 15 -13.190 4.593 -5.246 1.00 0.36 H new ATOM 0 HB VAL A 15 -12.173 2.404 -4.153 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.703 2.456 -4.171 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.383 2.070 -5.770 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.749 3.700 -5.442 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.929 3.874 -2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -11.070 5.210 -3.758 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -12.531 4.531 -3.003 1.00 0.00 H new ATOM 248 N THR A 16 -11.128 5.736 -6.410 1.00 -0.73 N ATOM 249 CA THR A 16 -10.304 6.498 -7.330 1.00 0.36 C ATOM 250 C THR A 16 -8.859 6.566 -6.830 1.00 0.57 C ATOM 251 O THR A 16 -8.616 6.537 -5.618 1.00 -0.57 O ATOM 252 CB THR A 16 -10.930 7.880 -7.579 1.00 0.28 C ATOM 253 OG1 THR A 16 -10.972 8.630 -6.383 1.00 -0.68 O ATOM 254 CG2 THR A 16 -12.347 7.764 -8.160 1.00 0.00 C ATOM 0 H THR A 16 -11.211 6.153 -5.483 1.00 -0.73 H new ATOM 0 HA THR A 16 -10.267 5.993 -8.295 1.00 0.36 H new ATOM 0 HB THR A 16 -10.301 8.392 -8.307 1.00 0.28 H new ATOM 0 HG1 THR A 16 -11.676 8.277 -5.800 1.00 -0.68 H new ATOM 0 HG21 THR A 16 -12.756 8.761 -8.322 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.309 7.229 -9.109 1.00 0.00 H new ATOM 0 HG23 THR A 16 -12.983 7.220 -7.462 1.00 0.00 H new ATOM 262 N TYR A 17 -7.905 6.725 -7.759 1.00 -0.73 N ATOM 263 CA TYR A 17 -6.497 6.973 -7.453 1.00 0.36 C ATOM 264 C TYR A 17 -5.970 8.197 -8.221 1.00 0.57 C ATOM 265 O TYR A 17 -6.441 8.489 -9.323 1.00 -0.57 O ATOM 266 CB TYR A 17 -5.655 5.710 -7.718 1.00 0.14 C ATOM 267 CG TYR A 17 -5.819 5.088 -9.097 1.00 -0.14 C ATOM 268 CD1 TYR A 17 -5.097 5.586 -10.201 1.00 -0.15 C ATOM 269 CD2 TYR A 17 -6.695 4.001 -9.274 1.00 -0.15 C ATOM 270 CE1 TYR A 17 -5.268 5.018 -11.478 1.00 -0.15 C ATOM 271 CE2 TYR A 17 -6.885 3.441 -10.551 1.00 -0.15 C ATOM 272 CZ TYR A 17 -6.183 3.954 -11.661 1.00 0.08 C ATOM 273 OH TYR A 17 -6.397 3.412 -12.894 1.00 -0.53 O ATOM 0 H TYR A 17 -8.098 6.683 -8.760 1.00 -0.73 H new ATOM 0 HA TYR A 17 -6.408 7.206 -6.392 1.00 0.36 H new ATOM 0 HB2 TYR A 17 -4.604 5.959 -7.574 1.00 0.14 H new ATOM 0 HB3 TYR A 17 -5.910 4.961 -6.968 1.00 0.14 H new ATOM 0 HD1 TYR A 17 -4.409 6.408 -10.066 1.00 -0.15 H new ATOM 0 HD2 TYR A 17 -7.224 3.594 -8.425 1.00 -0.15 H new ATOM 0 HE1 TYR A 17 -4.701 5.394 -12.317 1.00 -0.15 H new ATOM 0 HE2 TYR A 17 -7.570 2.616 -10.681 1.00 -0.15 H new ATOM 0 HH TYR A 17 -7.058 2.692 -12.824 1.00 -0.53 H new ATOM 283 N ARG A 18 -4.990 8.919 -7.648 1.00 -0.73 N ATOM 284 CA ARG A 18 -4.342 10.075 -8.289 1.00 0.36 C ATOM 285 C ARG A 18 -2.884 10.125 -7.856 1.00 0.57 C ATOM 286 O ARG A 18 -2.563 10.480 -6.724 1.00 -0.57 O ATOM 287 CB ARG A 18 -5.061 11.403 -7.966 1.00 0.00 C ATOM 288 CG ARG A 18 -5.002 12.482 -9.064 1.00 0.00 C ATOM 289 CD ARG A 18 -3.790 13.423 -9.097 1.00 0.33 C ATOM 290 NE ARG A 18 -2.671 12.951 -9.937 1.00 -0.84 N ATOM 291 CZ ARG A 18 -1.929 13.717 -10.762 1.00 1.20 C ATOM 292 NH1 ARG A 18 -2.125 15.032 -10.860 1.00 -0.97 N ATOM 293 NH2 ARG A 18 -0.949 13.166 -11.468 1.00 -0.97 N ATOM 0 H ARG A 18 -4.623 8.714 -6.719 1.00 -0.73 H new ATOM 0 HA ARG A 18 -4.403 9.950 -9.370 1.00 0.36 H new ATOM 0 HB2 ARG A 18 -6.108 11.185 -7.753 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.629 11.816 -7.054 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.057 11.978 -10.029 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.898 13.097 -8.974 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.113 14.399 -9.459 1.00 0.33 H new ATOM 0 HD3 ARG A 18 -3.428 13.565 -8.079 1.00 0.33 H new ATOM 0 HE ARG A 18 -2.439 11.959 -9.889 1.00 -0.84 H new ATOM 0 HH11 ARG A 18 -2.851 15.482 -10.303 1.00 -0.97 H new ATOM 0 HH12 ARG A 18 -1.549 15.588 -11.492 1.00 -0.97 H new ATOM 0 HH21 ARG A 18 -0.760 12.167 -11.385 1.00 -0.97 H new ATOM 0 HH22 ARG A 18 -0.385 13.742 -12.093 1.00 -0.97 H new ATOM 307 N ILE A 19 -1.994 9.760 -8.771 1.00 -0.73 N ATOM 308 CA ILE A 19 -0.568 9.709 -8.504 1.00 0.36 C ATOM 309 C ILE A 19 -0.025 11.136 -8.720 1.00 0.57 C ATOM 310 O ILE A 19 0.334 11.472 -9.847 1.00 -0.57 O ATOM 311 CB ILE A 19 0.066 8.601 -9.382 1.00 0.00 C ATOM 312 CG1 ILE A 19 -0.569 7.204 -9.151 1.00 0.00 C ATOM 313 CG2 ILE A 19 1.563 8.502 -9.077 1.00 0.00 C ATOM 314 CD1 ILE A 19 -0.400 6.275 -10.359 1.00 0.00 C ATOM 0 H ILE A 19 -2.246 9.491 -9.722 1.00 -0.73 H new ATOM 0 HA ILE A 19 -0.314 9.427 -7.482 1.00 0.36 H new ATOM 0 HB ILE A 19 -0.115 8.884 -10.419 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.114 6.742 -8.275 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.631 7.322 -8.934 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.009 7.723 -9.695 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.043 9.456 -9.294 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.704 8.256 -8.024 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.862 5.311 -10.144 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.879 6.721 -11.231 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.661 6.131 -10.562 1.00 0.00 H new ATOM 326 N VAL A 20 -0.111 12.019 -7.706 1.00 -0.73 N ATOM 327 CA VAL A 20 0.213 13.461 -7.801 1.00 0.36 C ATOM 328 C VAL A 20 1.667 13.714 -8.204 1.00 0.57 C ATOM 329 O VAL A 20 1.960 14.573 -9.037 1.00 -0.57 O ATOM 330 CB VAL A 20 -0.085 14.218 -6.479 1.00 0.00 C ATOM 331 CG1 VAL A 20 -1.583 14.495 -6.337 1.00 0.00 C ATOM 332 CG2 VAL A 20 0.424 13.531 -5.199 1.00 0.00 C ATOM 0 H VAL A 20 -0.416 11.744 -6.772 1.00 -0.73 H new ATOM 0 HA VAL A 20 -0.437 13.847 -8.586 1.00 0.36 H new ATOM 0 HB VAL A 20 0.478 15.147 -6.569 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.768 15.026 -5.403 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.921 15.105 -7.175 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.129 13.551 -6.332 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.166 14.139 -4.332 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.039 12.549 -5.104 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.507 13.417 -5.253 1.00 0.00 H new ATOM 342 N SER A 21 2.563 12.927 -7.620 1.00 -0.73 N ATOM 343 CA SER A 21 3.995 12.930 -7.838 1.00 0.36 C ATOM 344 C SER A 21 4.334 11.481 -8.197 1.00 0.57 C ATOM 345 O SER A 21 3.524 10.583 -7.967 1.00 -0.57 O ATOM 346 CB SER A 21 4.689 13.470 -6.568 1.00 0.28 C ATOM 347 OG SER A 21 6.019 13.015 -6.425 1.00 -0.68 O ATOM 0 H SER A 21 2.284 12.224 -6.936 1.00 -0.73 H new ATOM 0 HA SER A 21 4.341 13.581 -8.641 1.00 0.36 H new ATOM 0 HB2 SER A 21 4.685 14.560 -6.595 1.00 0.28 H new ATOM 0 HB3 SER A 21 4.113 13.171 -5.692 1.00 0.28 H new ATOM 0 HG SER A 21 6.267 13.022 -5.477 1.00 -0.68 H new ATOM 353 N TYR A 22 5.525 11.257 -8.747 1.00 -0.73 N ATOM 354 CA TYR A 22 6.005 9.958 -9.182 1.00 0.36 C ATOM 355 C TYR A 22 7.454 9.826 -8.718 1.00 0.57 C ATOM 356 O TYR A 22 8.150 10.828 -8.542 1.00 -0.57 O ATOM 357 CB TYR A 22 5.921 9.840 -10.713 1.00 0.14 C ATOM 358 CG TYR A 22 4.522 9.692 -11.294 1.00 -0.14 C ATOM 359 CD1 TYR A 22 3.723 10.827 -11.529 1.00 -0.15 C ATOM 360 CD2 TYR A 22 4.034 8.414 -11.634 1.00 -0.15 C ATOM 361 CE1 TYR A 22 2.446 10.690 -12.099 1.00 -0.15 C ATOM 362 CE2 TYR A 22 2.756 8.269 -12.206 1.00 -0.15 C ATOM 363 CZ TYR A 22 1.957 9.409 -12.447 1.00 0.08 C ATOM 364 OH TYR A 22 0.723 9.266 -13.009 1.00 -0.53 O ATOM 0 H TYR A 22 6.202 12.004 -8.905 1.00 -0.73 H new ATOM 0 HA TYR A 22 5.393 9.163 -8.756 1.00 0.36 H new ATOM 0 HB2 TYR A 22 6.384 10.724 -11.152 1.00 0.14 H new ATOM 0 HB3 TYR A 22 6.515 8.981 -11.025 1.00 0.14 H new ATOM 0 HD1 TYR A 22 4.093 11.808 -11.270 1.00 -0.15 H new ATOM 0 HD2 TYR A 22 4.644 7.541 -11.455 1.00 -0.15 H new ATOM 0 HE1 TYR A 22 1.836 11.565 -12.272 1.00 -0.15 H new ATOM 0 HE2 TYR A 22 2.386 7.287 -12.461 1.00 -0.15 H new ATOM 0 HH TYR A 22 0.551 8.317 -13.184 1.00 -0.53 H new ATOM 374 N THR A 23 7.899 8.580 -8.551 1.00 -0.73 N ATOM 375 CA THR A 23 9.303 8.237 -8.353 1.00 0.36 C ATOM 376 C THR A 23 10.136 8.542 -9.621 1.00 0.57 C ATOM 377 O THR A 23 9.651 9.124 -10.595 1.00 -0.57 O ATOM 378 CB THR A 23 9.386 6.764 -7.901 1.00 0.28 C ATOM 379 OG1 THR A 23 10.664 6.457 -7.384 1.00 -0.68 O ATOM 380 CG2 THR A 23 9.098 5.794 -9.046 1.00 0.00 C ATOM 0 H THR A 23 7.281 7.769 -8.550 1.00 -0.73 H new ATOM 0 HA THR A 23 9.741 8.855 -7.569 1.00 0.36 H new ATOM 0 HB THR A 23 8.628 6.647 -7.127 1.00 0.28 H new ATOM 0 HG1 THR A 23 10.567 5.999 -6.523 1.00 -0.68 H new ATOM 0 HG21 THR A 23 9.168 4.769 -8.681 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.095 5.974 -9.432 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.826 5.946 -9.843 1.00 0.00 H new ATOM 388 N ARG A 24 11.400 8.110 -9.600 1.00 -0.73 N ATOM 389 CA ARG A 24 12.431 8.423 -10.593 1.00 0.36 C ATOM 390 C ARG A 24 13.258 7.198 -10.995 1.00 0.57 C ATOM 391 O ARG A 24 13.708 7.114 -12.143 1.00 -0.57 O ATOM 392 CB ARG A 24 13.364 9.478 -9.968 1.00 0.00 C ATOM 393 CG ARG A 24 13.278 10.881 -10.580 1.00 0.00 C ATOM 394 CD ARG A 24 14.277 11.072 -11.729 1.00 0.33 C ATOM 395 NE ARG A 24 14.586 12.500 -11.930 1.00 -0.84 N ATOM 396 CZ ARG A 24 15.508 13.218 -11.266 1.00 1.20 C ATOM 397 NH1 ARG A 24 16.255 12.657 -10.308 1.00 -0.97 N ATOM 398 NH2 ARG A 24 15.649 14.502 -11.591 1.00 -0.97 N ATOM 0 H ARG A 24 11.748 7.505 -8.856 1.00 -0.73 H new ATOM 0 HA ARG A 24 11.944 8.785 -11.498 1.00 0.36 H new ATOM 0 HB2 ARG A 24 13.140 9.551 -8.904 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.392 9.125 -10.054 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.266 11.054 -10.947 1.00 0.00 H new ATOM 0 HG3 ARG A 24 13.469 11.625 -9.807 1.00 0.00 H new ATOM 0 HD2 ARG A 24 15.195 10.525 -11.512 1.00 0.33 H new ATOM 0 HD3 ARG A 24 13.865 10.653 -12.647 1.00 0.33 H new ATOM 0 HE ARG A 24 14.047 12.991 -12.643 1.00 -0.84 H new ATOM 0 HH11 ARG A 24 16.128 11.672 -10.074 1.00 -0.97 H new ATOM 0 HH12 ARG A 24 16.951 13.214 -9.812 1.00 -0.97 H new ATOM 0 HH21 ARG A 24 15.067 14.910 -12.323 1.00 -0.97 H new ATOM 0 HH22 ARG A 24 16.339 15.078 -11.108 1.00 -0.97 H new ATOM 412 N ASP A 25 13.486 6.268 -10.056 1.00 -0.73 N ATOM 413 CA ASP A 25 14.263 5.045 -10.284 1.00 0.36 C ATOM 414 C ASP A 25 13.679 4.191 -11.414 1.00 0.57 C ATOM 415 O ASP A 25 14.429 3.629 -12.218 1.00 -0.57 O ATOM 416 CB ASP A 25 14.279 4.184 -9.011 1.00 0.06 C ATOM 417 CG ASP A 25 15.574 4.270 -8.215 1.00 0.66 C ATOM 418 OD1 ASP A 25 15.479 4.557 -7.033 1.00 -0.57 O ATOM 419 OD2 ASP A 25 16.715 4.023 -8.853 1.00 -0.65 O ATOM 0 H ASP A 25 13.130 6.347 -9.104 1.00 -0.73 H new ATOM 0 HA ASP A 25 15.269 5.362 -10.559 1.00 0.36 H new ATOM 0 HB2 ASP A 25 13.451 4.488 -8.370 1.00 0.06 H new ATOM 0 HB3 ASP A 25 14.104 3.144 -9.287 1.00 0.06 H new ATOM 425 N LEU A 26 12.344 4.127 -11.457 1.00 -0.73 N ATOM 426 CA LEU A 26 11.534 3.370 -12.401 1.00 0.36 C ATOM 427 C LEU A 26 10.518 4.333 -13.038 1.00 0.57 C ATOM 428 O LEU A 26 10.107 5.297 -12.387 1.00 -0.57 O ATOM 429 CB LEU A 26 10.822 2.173 -11.728 1.00 0.00 C ATOM 430 CG LEU A 26 10.127 2.466 -10.380 1.00 0.00 C ATOM 431 CD1 LEU A 26 8.720 1.869 -10.278 1.00 0.00 C ATOM 432 CD2 LEU A 26 10.955 1.932 -9.209 1.00 0.00 C ATOM 0 H LEU A 26 11.769 4.638 -10.787 1.00 -0.73 H new ATOM 0 HA LEU A 26 12.181 2.944 -13.168 1.00 0.36 H new ATOM 0 HB2 LEU A 26 10.076 1.784 -12.421 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.555 1.382 -11.571 1.00 0.00 H new ATOM 0 HG LEU A 26 10.042 3.552 -10.332 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.291 2.113 -9.306 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.091 2.282 -11.067 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.775 0.786 -10.389 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.443 2.151 -8.272 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.078 0.854 -9.312 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.935 2.410 -9.208 1.00 0.00 H new ATOM 444 N PRO A 27 10.129 4.107 -14.305 1.00 -0.66 N ATOM 445 CA PRO A 27 9.323 5.055 -15.066 1.00 0.36 C ATOM 446 C PRO A 27 7.849 5.069 -14.626 1.00 0.57 C ATOM 447 O PRO A 27 7.359 4.137 -13.990 1.00 -0.57 O ATOM 448 CB PRO A 27 9.499 4.639 -16.532 1.00 0.00 C ATOM 449 CG PRO A 27 9.822 3.149 -16.473 1.00 0.00 C ATOM 450 CD PRO A 27 10.551 2.988 -15.141 1.00 0.30 C ATOM 0 HA PRO A 27 9.650 6.081 -14.900 1.00 0.36 H new ATOM 0 HB2 PRO A 27 8.593 4.826 -17.109 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.302 5.200 -17.010 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.918 2.542 -16.510 1.00 0.00 H new ATOM 0 HG3 PRO A 27 10.447 2.841 -17.311 1.00 0.00 H new ATOM 0 HD2 PRO A 27 10.300 2.036 -14.673 1.00 0.30 H new ATOM 0 HD3 PRO A 27 11.631 2.996 -15.286 1.00 0.30 H new ATOM 458 N HIS A 28 7.116 6.120 -15.012 1.00 -0.73 N ATOM 459 CA HIS A 28 5.719 6.322 -14.612 1.00 0.36 C ATOM 460 C HIS A 28 4.801 5.205 -15.123 1.00 0.57 C ATOM 461 O HIS A 28 3.875 4.801 -14.421 1.00 -0.57 O ATOM 462 CB HIS A 28 5.200 7.682 -15.111 1.00 0.17 C ATOM 463 CG HIS A 28 6.241 8.771 -15.130 1.00 0.18 C ATOM 464 ND1 HIS A 28 6.840 9.357 -14.039 1.00 -0.70 N ATOM 465 CD2 HIS A 28 6.870 9.253 -16.246 1.00 0.20 C ATOM 466 CE1 HIS A 28 7.816 10.163 -14.492 1.00 0.65 C ATOM 467 NE2 HIS A 28 7.869 10.138 -15.835 1.00 -0.70 N ATOM 0 H HIS A 28 7.478 6.859 -15.615 1.00 -0.73 H new ATOM 0 HA HIS A 28 5.700 6.301 -13.522 1.00 0.36 H new ATOM 0 HB2 HIS A 28 4.801 7.559 -16.118 1.00 0.17 H new ATOM 0 HB3 HIS A 28 4.372 7.997 -14.476 1.00 0.17 H new ATOM 0 HD2 HIS A 28 6.634 8.994 -17.268 1.00 0.20 H new ATOM 0 HE1 HIS A 28 8.468 10.750 -13.863 1.00 0.65 H new ATOM 0 HE2 HIS A 28 8.510 10.660 -16.433 1.00 -0.70 H new ATOM 476 N ILE A 29 5.064 4.687 -16.329 1.00 -0.73 N ATOM 477 CA ILE A 29 4.344 3.533 -16.863 1.00 0.36 C ATOM 478 C ILE A 29 4.559 2.304 -15.979 1.00 0.57 C ATOM 479 O ILE A 29 3.612 1.561 -15.737 1.00 -0.57 O ATOM 480 CB ILE A 29 4.718 3.289 -18.343 1.00 0.00 C ATOM 481 CG1 ILE A 29 3.838 2.173 -18.953 1.00 0.00 C ATOM 482 CG2 ILE A 29 6.215 2.978 -18.568 1.00 0.00 C ATOM 483 CD1 ILE A 29 3.438 2.480 -20.400 1.00 0.00 C ATOM 0 H ILE A 29 5.779 5.056 -16.956 1.00 -0.73 H new ATOM 0 HA ILE A 29 3.275 3.743 -16.846 1.00 0.36 H new ATOM 0 HB ILE A 29 4.524 4.231 -18.857 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.378 1.227 -18.920 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.940 2.049 -18.348 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.398 2.819 -19.631 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.817 3.816 -18.217 1.00 0.00 H new ATOM 0 HG23 ILE A 29 6.487 2.079 -18.015 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.821 1.669 -20.787 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.874 3.412 -20.432 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.334 2.578 -21.012 1.00 0.00 H new ATOM 495 N THR A 30 5.774 2.113 -15.453 1.00 -0.73 N ATOM 496 CA THR A 30 6.064 1.052 -14.510 1.00 0.36 C ATOM 497 C THR A 30 5.375 1.351 -13.177 1.00 0.57 C ATOM 498 O THR A 30 4.778 0.433 -12.630 1.00 -0.57 O ATOM 499 CB THR A 30 7.582 0.877 -14.382 1.00 0.28 C ATOM 500 OG1 THR A 30 8.109 0.345 -15.580 1.00 -0.68 O ATOM 501 CG2 THR A 30 7.994 -0.076 -13.277 1.00 0.00 C ATOM 0 H THR A 30 6.580 2.697 -15.677 1.00 -0.73 H new ATOM 0 HA THR A 30 5.667 0.101 -14.865 1.00 0.36 H new ATOM 0 HB THR A 30 7.967 1.871 -14.156 1.00 0.28 H new ATOM 0 HG1 THR A 30 9.079 0.238 -15.491 1.00 -0.68 H new ATOM 0 HG21 THR A 30 9.081 -0.150 -13.247 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.629 0.297 -12.320 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.569 -1.061 -13.469 1.00 0.00 H new ATOM 509 N VAL A 31 5.374 2.597 -12.679 1.00 -0.73 N ATOM 510 CA VAL A 31 4.606 2.953 -11.481 1.00 0.36 C ATOM 511 C VAL A 31 3.141 2.545 -11.666 1.00 0.57 C ATOM 512 O VAL A 31 2.650 1.779 -10.843 1.00 -0.57 O ATOM 513 CB VAL A 31 4.769 4.447 -11.129 1.00 0.00 C ATOM 514 CG1 VAL A 31 3.713 4.969 -10.140 1.00 0.00 C ATOM 515 CG2 VAL A 31 6.157 4.712 -10.537 1.00 0.00 C ATOM 0 H VAL A 31 5.896 3.372 -13.088 1.00 -0.73 H new ATOM 0 HA VAL A 31 5.000 2.401 -10.628 1.00 0.36 H new ATOM 0 HB VAL A 31 4.635 4.982 -12.069 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.892 6.026 -9.941 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.719 4.844 -10.570 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.779 4.408 -9.208 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.253 5.770 -10.295 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.285 4.120 -9.631 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.921 4.435 -11.263 1.00 0.00 H new ATOM 525 N ASP A 32 2.473 2.986 -12.747 1.00 -0.73 N ATOM 526 CA ASP A 32 1.066 2.654 -13.011 1.00 0.36 C ATOM 527 C ASP A 32 0.888 1.148 -13.192 1.00 0.57 C ATOM 528 O ASP A 32 -0.020 0.580 -12.599 1.00 -0.57 O ATOM 529 CB ASP A 32 0.529 3.418 -14.241 1.00 0.06 C ATOM 530 CG ASP A 32 -0.929 3.058 -14.618 1.00 0.66 C ATOM 531 OD1 ASP A 32 -1.177 2.710 -15.761 1.00 -0.57 O ATOM 532 OD2 ASP A 32 -1.846 3.210 -13.667 1.00 -0.65 O ATOM 0 H ASP A 32 2.895 3.582 -13.460 1.00 -0.73 H new ATOM 0 HA ASP A 32 0.484 2.967 -12.144 1.00 0.36 H new ATOM 0 HB2 ASP A 32 0.589 4.489 -14.046 1.00 0.06 H new ATOM 0 HB3 ASP A 32 1.175 3.213 -15.094 1.00 0.06 H new ATOM 538 N ARG A 33 1.772 0.468 -13.936 1.00 -0.73 N ATOM 539 CA ARG A 33 1.669 -0.979 -14.125 1.00 0.36 C ATOM 540 C ARG A 33 1.834 -1.738 -12.818 1.00 0.57 C ATOM 541 O ARG A 33 1.104 -2.703 -12.605 1.00 -0.57 O ATOM 542 CB ARG A 33 2.703 -1.487 -15.147 1.00 0.00 C ATOM 543 CG ARG A 33 2.227 -1.387 -16.604 1.00 0.00 C ATOM 544 CD ARG A 33 1.002 -2.290 -16.875 1.00 0.33 C ATOM 545 NE ARG A 33 1.209 -3.225 -18.002 1.00 -0.84 N ATOM 546 CZ ARG A 33 0.253 -3.737 -18.802 1.00 1.20 C ATOM 547 NH1 ARG A 33 -1.024 -3.386 -18.652 1.00 -0.97 N ATOM 548 NH2 ARG A 33 0.582 -4.606 -19.765 1.00 -0.97 N ATOM 0 H ARG A 33 2.563 0.899 -14.414 1.00 -0.73 H new ATOM 0 HA ARG A 33 0.666 -1.168 -14.508 1.00 0.36 H new ATOM 0 HB2 ARG A 33 3.624 -0.915 -15.034 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.943 -2.526 -14.922 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.972 -0.352 -16.832 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.041 -1.670 -17.272 1.00 0.00 H new ATOM 0 HD2 ARG A 33 0.772 -2.860 -15.975 1.00 0.33 H new ATOM 0 HD3 ARG A 33 0.135 -1.663 -17.085 1.00 0.33 H new ATOM 0 HE ARG A 33 2.170 -3.510 -18.192 1.00 -0.84 H new ATOM 0 HH11 ARG A 33 -1.288 -2.722 -17.924 1.00 -0.97 H new ATOM 0 HH12 ARG A 33 -1.737 -3.782 -19.265 1.00 -0.97 H new ATOM 0 HH21 ARG A 33 1.556 -4.881 -19.893 1.00 -0.97 H new ATOM 0 HH22 ARG A 33 -0.141 -4.994 -20.371 1.00 -0.97 H new ATOM 562 N LEU A 34 2.782 -1.346 -11.964 1.00 -0.73 N ATOM 563 CA LEU A 34 3.021 -2.001 -10.686 1.00 0.36 C ATOM 564 C LEU A 34 1.891 -1.675 -9.719 1.00 0.57 C ATOM 565 O LEU A 34 1.439 -2.591 -9.042 1.00 -0.57 O ATOM 566 CB LEU A 34 4.375 -1.587 -10.094 1.00 0.00 C ATOM 567 CG LEU A 34 5.574 -2.437 -10.562 1.00 0.00 C ATOM 568 CD1 LEU A 34 5.674 -2.734 -12.065 1.00 0.00 C ATOM 569 CD2 LEU A 34 6.857 -1.793 -10.043 1.00 0.00 C ATOM 0 H LEU A 34 3.406 -0.560 -12.145 1.00 -0.73 H new ATOM 0 HA LEU A 34 3.049 -3.078 -10.851 1.00 0.36 H new ATOM 0 HB2 LEU A 34 4.564 -0.545 -10.351 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.312 -1.641 -9.007 1.00 0.00 H new ATOM 0 HG LEU A 34 5.411 -3.427 -10.136 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.560 -3.339 -12.258 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.786 -3.278 -12.388 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.747 -1.797 -12.617 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.716 -2.382 -10.365 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.942 -0.781 -10.439 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.831 -1.756 -8.954 1.00 0.00 H new ATOM 581 N VAL A 35 1.395 -0.430 -9.685 1.00 -0.73 N ATOM 582 CA VAL A 35 0.181 -0.067 -8.954 1.00 0.36 C ATOM 583 C VAL A 35 -0.977 -0.939 -9.439 1.00 0.57 C ATOM 584 O VAL A 35 -1.644 -1.546 -8.611 1.00 -0.57 O ATOM 585 CB VAL A 35 -0.087 1.462 -9.064 1.00 0.00 C ATOM 586 CG1 VAL A 35 -1.545 1.879 -9.293 1.00 0.00 C ATOM 587 CG2 VAL A 35 0.422 2.181 -7.809 1.00 0.00 C ATOM 0 H VAL A 35 1.831 0.356 -10.168 1.00 -0.73 H new ATOM 0 HA VAL A 35 0.301 -0.264 -7.889 1.00 0.36 H new ATOM 0 HB VAL A 35 0.455 1.756 -9.963 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.608 2.966 -9.353 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.906 1.443 -10.224 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.159 1.525 -8.465 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.229 3.250 -7.898 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.094 1.791 -6.932 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.494 2.014 -7.703 1.00 0.00 H new ATOM 597 N SER A 36 -1.190 -1.054 -10.753 1.00 -0.73 N ATOM 598 CA SER A 36 -2.288 -1.817 -11.327 1.00 0.36 C ATOM 599 C SER A 36 -2.127 -3.305 -11.011 1.00 0.57 C ATOM 600 O SER A 36 -3.090 -3.923 -10.571 1.00 -0.57 O ATOM 601 CB SER A 36 -2.363 -1.538 -12.837 1.00 0.28 C ATOM 602 OG SER A 36 -3.644 -1.826 -13.353 1.00 -0.68 O ATOM 0 H SER A 36 -0.593 -0.612 -11.452 1.00 -0.73 H new ATOM 0 HA SER A 36 -3.233 -1.506 -10.883 1.00 0.36 H new ATOM 0 HB2 SER A 36 -2.119 -0.493 -13.027 1.00 0.28 H new ATOM 0 HB3 SER A 36 -1.617 -2.139 -13.357 1.00 0.28 H new ATOM 0 HG SER A 36 -3.660 -1.637 -14.314 1.00 -0.68 H new ATOM 608 N LYS A 37 -0.928 -3.883 -11.148 1.00 -0.73 N ATOM 609 CA LYS A 37 -0.690 -5.286 -10.806 1.00 0.36 C ATOM 610 C LYS A 37 -0.841 -5.524 -9.302 1.00 0.57 C ATOM 611 O LYS A 37 -1.523 -6.475 -8.926 1.00 -0.57 O ATOM 612 CB LYS A 37 0.675 -5.762 -11.340 1.00 0.00 C ATOM 613 CG LYS A 37 0.574 -6.039 -12.851 1.00 0.00 C ATOM 614 CD LYS A 37 1.812 -6.713 -13.467 1.00 0.00 C ATOM 615 CE LYS A 37 2.773 -5.709 -14.118 1.00 0.50 C ATOM 616 NZ LYS A 37 3.566 -6.351 -15.191 1.00 -0.85 N ATOM 0 H LYS A 37 -0.103 -3.394 -11.496 1.00 -0.73 H new ATOM 0 HA LYS A 37 -1.453 -5.890 -11.298 1.00 0.36 H new ATOM 0 HB2 LYS A 37 1.435 -5.004 -11.150 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.987 -6.665 -10.815 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.295 -6.671 -13.033 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.396 -5.096 -13.368 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.342 -7.267 -12.692 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.491 -7.439 -14.214 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.207 -4.873 -14.530 1.00 0.50 H new ATOM 0 HE3 LYS A 37 3.443 -5.299 -13.362 1.00 0.50 H new ATOM 0 HZ1 LYS A 37 4.208 -5.651 -15.615 1.00 -0.85 H new ATOM 0 HZ2 LYS A 37 4.123 -7.133 -14.791 1.00 -0.85 H new ATOM 0 HZ3 LYS A 37 2.925 -6.721 -15.922 1.00 -0.85 H new ATOM 630 N ALA A 38 -0.273 -4.664 -8.448 1.00 -0.73 N ATOM 631 CA ALA A 38 -0.420 -4.749 -6.997 1.00 0.36 C ATOM 632 C ALA A 38 -1.892 -4.648 -6.593 1.00 0.57 C ATOM 633 O ALA A 38 -2.375 -5.466 -5.813 1.00 -0.57 O ATOM 634 CB ALA A 38 0.393 -3.631 -6.329 1.00 0.00 C ATOM 0 H ALA A 38 0.307 -3.882 -8.752 1.00 -0.73 H new ATOM 0 HA ALA A 38 -0.043 -5.716 -6.663 1.00 0.36 H new ATOM 0 HB1 ALA A 38 0.281 -3.697 -5.247 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.445 -3.739 -6.593 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.030 -2.662 -6.673 1.00 0.00 H new ATOM 640 N LEU A 39 -2.618 -3.670 -7.147 1.00 -0.73 N ATOM 641 CA LEU A 39 -4.034 -3.469 -6.875 1.00 0.36 C ATOM 642 C LEU A 39 -4.878 -4.605 -7.439 1.00 0.57 C ATOM 643 O LEU A 39 -5.837 -5.007 -6.791 1.00 -0.57 O ATOM 644 CB LEU A 39 -4.513 -2.129 -7.455 1.00 0.00 C ATOM 645 CG LEU A 39 -4.208 -0.898 -6.587 1.00 0.00 C ATOM 646 CD1 LEU A 39 -4.734 0.368 -7.274 1.00 0.00 C ATOM 647 CD2 LEU A 39 -4.841 -1.004 -5.188 1.00 0.00 C ATOM 0 H LEU A 39 -2.229 -2.992 -7.803 1.00 -0.73 H new ATOM 0 HA LEU A 39 -4.158 -3.455 -5.792 1.00 0.36 H new ATOM 0 HB2 LEU A 39 -4.052 -1.988 -8.433 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.590 -2.184 -7.615 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.126 -0.848 -6.469 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.514 1.237 -6.653 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.250 0.483 -8.244 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.812 0.285 -7.414 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.599 -0.112 -4.610 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.923 -1.091 -5.284 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.450 -1.884 -4.677 1.00 0.00 H new ATOM 659 N ASN A 40 -4.531 -5.157 -8.607 1.00 -0.73 N ATOM 660 CA ASN A 40 -5.178 -6.353 -9.139 1.00 0.36 C ATOM 661 C ASN A 40 -4.946 -7.527 -8.191 1.00 0.57 C ATOM 662 O ASN A 40 -5.871 -8.289 -7.952 1.00 -0.57 O ATOM 663 CB ASN A 40 -4.658 -6.664 -10.555 1.00 0.06 C ATOM 664 CG ASN A 40 -5.413 -7.799 -11.248 1.00 0.57 C ATOM 665 OD1 ASN A 40 -6.642 -7.847 -11.272 1.00 -0.57 O ATOM 666 ND2 ASN A 40 -4.708 -8.694 -11.923 1.00 -0.80 N ATOM 0 H ASN A 40 -3.794 -4.785 -9.206 1.00 -0.73 H new ATOM 0 HA ASN A 40 -6.251 -6.178 -9.215 1.00 0.36 H new ATOM 0 HB2 ASN A 40 -4.731 -5.764 -11.166 1.00 0.06 H new ATOM 0 HB3 ASN A 40 -3.601 -6.924 -10.496 1.00 0.06 H new ATOM 0 HD21 ASN A 40 -5.184 -9.419 -12.460 1.00 -0.80 H new ATOM 0 HD22 ASN A 40 -3.689 -8.658 -11.906 1.00 -0.80 H new ATOM 673 N MET A 41 -3.754 -7.642 -7.593 1.00 -0.73 N ATOM 674 CA MET A 41 -3.447 -8.634 -6.567 1.00 0.36 C ATOM 675 C MET A 41 -4.252 -8.412 -5.272 1.00 0.57 C ATOM 676 O MET A 41 -4.639 -9.391 -4.643 1.00 -0.57 O ATOM 677 CB MET A 41 -1.923 -8.654 -6.315 1.00 0.00 C ATOM 678 CG MET A 41 -1.221 -9.926 -6.824 1.00 0.23 C ATOM 679 SD MET A 41 0.160 -9.648 -7.976 1.00 -0.46 S ATOM 680 CE MET A 41 1.308 -8.746 -6.905 1.00 0.23 C ATOM 0 H MET A 41 -2.965 -7.035 -7.816 1.00 -0.73 H new ATOM 0 HA MET A 41 -3.754 -9.615 -6.931 1.00 0.36 H new ATOM 0 HB2 MET A 41 -1.474 -7.786 -6.797 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.741 -8.554 -5.245 1.00 0.00 H new ATOM 0 HG2 MET A 41 -0.848 -10.483 -5.965 1.00 0.23 H new ATOM 0 HG3 MET A 41 -1.961 -10.557 -7.316 1.00 0.23 H new ATOM 0 HE1 MET A 41 2.333 -8.995 -7.179 1.00 0.23 H new ATOM 0 HE2 MET A 41 1.150 -7.674 -7.024 1.00 0.23 H new ATOM 0 HE3 MET A 41 1.132 -9.026 -5.866 1.00 0.23 H new ATOM 690 N TRP A 42 -4.568 -7.167 -4.888 1.00 -0.73 N ATOM 691 CA TRP A 42 -5.536 -6.896 -3.818 1.00 0.36 C ATOM 692 C TRP A 42 -6.957 -7.293 -4.249 1.00 0.57 C ATOM 693 O TRP A 42 -7.635 -8.058 -3.558 1.00 -0.57 O ATOM 694 CB TRP A 42 -5.476 -5.414 -3.408 1.00 0.18 C ATOM 695 CG TRP A 42 -4.432 -5.091 -2.388 1.00 -0.18 C ATOM 696 CD1 TRP A 42 -3.143 -4.764 -2.632 1.00 -0.30 C ATOM 697 CD2 TRP A 42 -4.575 -5.080 -0.934 1.00 0.00 C ATOM 698 NE1 TRP A 42 -2.480 -4.577 -1.438 1.00 0.03 N ATOM 699 CE2 TRP A 42 -3.297 -4.832 -0.368 1.00 -0.15 C ATOM 700 CE3 TRP A 42 -5.645 -5.263 -0.033 1.00 -0.15 C ATOM 701 CZ2 TRP A 42 -3.069 -4.837 1.004 1.00 -0.15 C ATOM 702 CZ3 TRP A 42 -5.438 -5.206 1.362 1.00 -0.15 C ATOM 703 CH2 TRP A 42 -4.149 -5.017 1.883 1.00 -0.15 C ATOM 0 H TRP A 42 -4.164 -6.329 -5.306 1.00 -0.73 H new ATOM 0 HA TRP A 42 -5.272 -7.503 -2.952 1.00 0.36 H new ATOM 0 HB2 TRP A 42 -5.294 -4.812 -4.298 1.00 0.18 H new ATOM 0 HB3 TRP A 42 -6.450 -5.119 -3.017 1.00 0.18 H new ATOM 0 HD1 TRP A 42 -2.701 -4.665 -3.612 1.00 -0.30 H new ATOM 0 HE1 TRP A 42 -1.505 -4.286 -1.361 1.00 0.03 H new ATOM 0 HE3 TRP A 42 -6.637 -5.449 -0.416 1.00 -0.15 H new ATOM 0 HZ2 TRP A 42 -2.069 -4.704 1.390 1.00 -0.15 H new ATOM 0 HZ3 TRP A 42 -6.278 -5.309 2.033 1.00 -0.15 H new ATOM 0 HH2 TRP A 42 -3.989 -5.010 2.951 1.00 -0.15 H new ATOM 714 N GLY A 43 -7.393 -6.821 -5.423 1.00 -0.73 N ATOM 715 CA GLY A 43 -8.715 -7.085 -5.982 1.00 0.36 C ATOM 716 C GLY A 43 -8.928 -8.554 -6.370 1.00 0.57 C ATOM 717 O GLY A 43 -10.047 -8.987 -6.637 1.00 -0.57 O ATOM 0 H GLY A 43 -6.817 -6.230 -6.023 1.00 -0.73 H new ATOM 0 HA2 GLY A 43 -9.474 -6.795 -5.255 1.00 0.36 H new ATOM 0 HA3 GLY A 43 -8.861 -6.459 -6.862 1.00 0.36 H new ATOM 721 N LYS A 44 -7.853 -9.347 -6.387 1.00 -0.73 N ATOM 722 CA LYS A 44 -7.904 -10.788 -6.561 1.00 0.36 C ATOM 723 C LYS A 44 -8.632 -11.445 -5.383 1.00 0.57 C ATOM 724 O LYS A 44 -9.290 -12.463 -5.596 1.00 -0.57 O ATOM 725 CB LYS A 44 -6.467 -11.307 -6.766 1.00 0.00 C ATOM 726 CG LYS A 44 -6.376 -12.803 -7.087 1.00 0.00 C ATOM 727 CD LYS A 44 -6.206 -13.659 -5.820 1.00 0.00 C ATOM 728 CE LYS A 44 -6.695 -15.083 -6.072 1.00 0.50 C ATOM 729 NZ LYS A 44 -5.811 -15.809 -7.010 1.00 -0.85 N ATOM 0 H LYS A 44 -6.904 -8.989 -6.277 1.00 -0.73 H new ATOM 0 HA LYS A 44 -8.481 -11.054 -7.447 1.00 0.36 H new ATOM 0 HB2 LYS A 44 -6.002 -10.745 -7.576 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.888 -11.105 -5.865 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.276 -13.115 -7.616 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.535 -12.979 -7.758 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.158 -13.675 -5.522 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.765 -13.216 -4.996 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.744 -15.623 -5.127 1.00 0.50 H new ATOM 0 HE3 LYS A 44 -7.707 -15.054 -6.475 1.00 0.50 H new ATOM 0 HZ1 LYS A 44 -6.176 -16.772 -7.156 1.00 -0.85 H new ATOM 0 HZ2 LYS A 44 -5.784 -15.307 -7.921 1.00 -0.85 H new ATOM 0 HZ3 LYS A 44 -4.851 -15.859 -6.614 1.00 -0.85 H new ATOM 743 N GLU A 45 -8.554 -10.876 -4.171 1.00 -0.73 N ATOM 744 CA GLU A 45 -9.187 -11.458 -2.986 1.00 0.36 C ATOM 745 C GLU A 45 -10.505 -10.747 -2.635 1.00 0.57 C ATOM 746 O GLU A 45 -11.336 -11.354 -1.953 1.00 -0.57 O ATOM 747 CB GLU A 45 -8.226 -11.410 -1.785 1.00 0.00 C ATOM 748 CG GLU A 45 -6.993 -12.327 -1.904 1.00 0.06 C ATOM 749 CD GLU A 45 -7.320 -13.827 -1.791 1.00 0.66 C ATOM 750 OE1 GLU A 45 -7.574 -14.272 -0.684 1.00 -0.57 O ATOM 751 OE2 GLU A 45 -7.274 -14.564 -2.897 1.00 -0.65 O ATOM 0 H GLU A 45 -8.054 -10.006 -3.989 1.00 -0.73 H new ATOM 0 HA GLU A 45 -9.420 -12.497 -3.218 1.00 0.36 H new ATOM 0 HB2 GLU A 45 -7.886 -10.383 -1.651 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.778 -11.682 -0.885 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.506 -12.142 -2.861 1.00 0.06 H new ATOM 0 HG3 GLU A 45 -6.278 -12.061 -1.126 1.00 0.06 H new ATOM 759 N ILE A 46 -10.713 -9.500 -3.097 1.00 -0.73 N ATOM 760 CA ILE A 46 -11.914 -8.700 -2.821 1.00 0.36 C ATOM 761 C ILE A 46 -12.450 -8.061 -4.109 1.00 0.57 C ATOM 762 O ILE A 46 -11.669 -7.475 -4.848 1.00 -0.57 O ATOM 763 CB ILE A 46 -11.643 -7.602 -1.761 1.00 0.00 C ATOM 764 CG1 ILE A 46 -10.340 -6.794 -1.981 1.00 0.00 C ATOM 765 CG2 ILE A 46 -11.652 -8.282 -0.390 1.00 0.00 C ATOM 766 CD1 ILE A 46 -10.274 -5.485 -1.185 1.00 0.00 C ATOM 0 H ILE A 46 -10.035 -9.013 -3.684 1.00 -0.73 H new ATOM 0 HA ILE A 46 -12.666 -9.379 -2.419 1.00 0.36 H new ATOM 0 HB ILE A 46 -12.429 -6.851 -1.844 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.488 -7.417 -1.707 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.241 -6.567 -3.042 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.464 -7.540 0.386 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.624 -8.746 -0.220 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.875 -9.045 -0.357 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.331 -4.979 -1.394 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.104 -4.841 -1.475 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.340 -5.704 -0.119 1.00 0.00 H new ATOM 778 N PRO A 47 -13.770 -8.083 -4.377 1.00 -0.66 N ATOM 779 CA PRO A 47 -14.358 -7.594 -5.632 1.00 0.36 C ATOM 780 C PRO A 47 -14.352 -6.049 -5.789 1.00 0.57 C ATOM 781 O PRO A 47 -15.188 -5.482 -6.497 1.00 -0.57 O ATOM 782 CB PRO A 47 -15.754 -8.237 -5.681 1.00 0.00 C ATOM 783 CG PRO A 47 -16.127 -8.491 -4.220 1.00 0.00 C ATOM 784 CD PRO A 47 -14.785 -8.695 -3.528 1.00 0.30 C ATOM 0 HA PRO A 47 -13.756 -7.885 -6.493 1.00 0.36 H new ATOM 0 HB2 PRO A 47 -16.475 -7.577 -6.163 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -15.741 -9.166 -6.252 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -16.672 -7.648 -3.795 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -16.766 -9.368 -4.118 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -14.788 -8.237 -2.539 1.00 0.30 H new ATOM 0 HD3 PRO A 47 -14.581 -9.756 -3.387 1.00 0.30 H new ATOM 792 N LEU A 48 -13.414 -5.353 -5.140 1.00 -0.73 N ATOM 793 CA LEU A 48 -13.273 -3.901 -5.176 1.00 0.36 C ATOM 794 C LEU A 48 -12.489 -3.528 -6.432 1.00 0.57 C ATOM 795 O LEU A 48 -11.497 -4.180 -6.758 1.00 -0.57 O ATOM 796 CB LEU A 48 -12.542 -3.436 -3.904 1.00 0.00 C ATOM 797 CG LEU A 48 -13.001 -2.060 -3.374 1.00 0.00 C ATOM 798 CD1 LEU A 48 -12.347 -1.818 -2.018 1.00 0.00 C ATOM 799 CD2 LEU A 48 -12.647 -0.855 -4.246 1.00 0.00 C ATOM 0 H LEU A 48 -12.710 -5.804 -4.556 1.00 -0.73 H new ATOM 0 HA LEU A 48 -14.246 -3.411 -5.207 1.00 0.36 H new ATOM 0 HB2 LEU A 48 -12.689 -4.181 -3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.472 -3.395 -4.108 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.089 -2.123 -3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -12.662 -0.849 -1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -12.648 -2.602 -1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.263 -1.829 -2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.018 0.056 -3.776 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.564 -0.791 -4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.106 -0.969 -5.228 1.00 0.00 H new ATOM 811 N HIS A 49 -12.939 -2.488 -7.135 1.00 -0.73 N ATOM 812 CA HIS A 49 -12.328 -2.026 -8.377 1.00 0.36 C ATOM 813 C HIS A 49 -11.798 -0.599 -8.191 1.00 0.57 C ATOM 814 O HIS A 49 -12.152 0.092 -7.235 1.00 -0.57 O ATOM 815 CB HIS A 49 -13.362 -2.128 -9.508 1.00 0.17 C ATOM 816 CG HIS A 49 -13.747 -3.549 -9.875 1.00 0.18 C ATOM 817 ND1 HIS A 49 -14.309 -4.509 -9.056 1.00 -0.70 N ATOM 818 CD2 HIS A 49 -13.611 -4.121 -11.113 1.00 0.20 C ATOM 819 CE1 HIS A 49 -14.485 -5.622 -9.785 1.00 0.65 C ATOM 820 NE2 HIS A 49 -14.086 -5.435 -11.054 1.00 -0.70 N ATOM 0 H HIS A 49 -13.749 -1.937 -6.852 1.00 -0.73 H new ATOM 0 HA HIS A 49 -11.476 -2.651 -8.646 1.00 0.36 H new ATOM 0 HB2 HIS A 49 -14.260 -1.585 -9.214 1.00 0.17 H new ATOM 0 HB3 HIS A 49 -12.965 -1.631 -10.393 1.00 0.17 H new ATOM 0 HD1 HIS A 49 -14.548 -4.393 -8.071 1.00 -0.70 H new ATOM 0 HD2 HIS A 49 -13.204 -3.637 -11.989 1.00 0.20 H new ATOM 0 HE1 HIS A 49 -14.893 -6.546 -9.402 1.00 0.65 H new ATOM 829 N PHE A 50 -10.950 -0.127 -9.106 1.00 -0.73 N ATOM 830 CA PHE A 50 -10.283 1.161 -8.951 1.00 0.36 C ATOM 831 C PHE A 50 -10.253 1.852 -10.316 1.00 0.57 C ATOM 832 O PHE A 50 -10.196 1.177 -11.347 1.00 -0.57 O ATOM 833 CB PHE A 50 -8.877 0.965 -8.335 1.00 0.14 C ATOM 834 CG PHE A 50 -8.671 -0.328 -7.545 1.00 -0.14 C ATOM 835 CD1 PHE A 50 -9.121 -0.465 -6.217 1.00 -0.15 C ATOM 836 CD2 PHE A 50 -8.095 -1.439 -8.184 1.00 -0.15 C ATOM 837 CE1 PHE A 50 -9.005 -1.691 -5.542 1.00 -0.15 C ATOM 838 CE2 PHE A 50 -8.023 -2.681 -7.526 1.00 -0.15 C ATOM 839 CZ PHE A 50 -8.460 -2.804 -6.198 1.00 -0.15 C ATOM 0 H PHE A 50 -10.710 -0.622 -9.965 1.00 -0.73 H new ATOM 0 HA PHE A 50 -10.826 1.805 -8.259 1.00 0.36 H new ATOM 0 HB2 PHE A 50 -8.141 0.999 -9.138 1.00 0.14 H new ATOM 0 HB3 PHE A 50 -8.669 1.808 -7.676 1.00 0.14 H new ATOM 0 HD1 PHE A 50 -9.560 0.383 -5.712 1.00 -0.15 H new ATOM 0 HD2 PHE A 50 -7.705 -1.339 -9.186 1.00 -0.15 H new ATOM 0 HE1 PHE A 50 -9.336 -1.777 -4.517 1.00 -0.15 H new ATOM 0 HE2 PHE A 50 -7.630 -3.543 -8.045 1.00 -0.15 H new ATOM 0 HZ PHE A 50 -8.377 -3.750 -5.684 1.00 -0.15 H new ATOM 849 N ARG A 51 -10.316 3.187 -10.325 1.00 -0.73 N ATOM 850 CA ARG A 51 -10.330 4.017 -11.534 1.00 0.36 C ATOM 851 C ARG A 51 -9.514 5.288 -11.295 1.00 0.57 C ATOM 852 O ARG A 51 -9.165 5.611 -10.161 1.00 -0.57 O ATOM 853 CB ARG A 51 -11.788 4.364 -11.906 1.00 0.00 C ATOM 854 CG ARG A 51 -12.416 3.291 -12.809 1.00 0.00 C ATOM 855 CD ARG A 51 -13.938 3.439 -12.905 1.00 0.33 C ATOM 856 NE ARG A 51 -14.366 4.634 -13.654 1.00 -0.84 N ATOM 857 CZ ARG A 51 -15.574 5.212 -13.542 1.00 1.20 C ATOM 858 NH1 ARG A 51 -16.478 4.728 -12.687 1.00 -0.97 N ATOM 859 NH2 ARG A 51 -15.867 6.290 -14.275 1.00 -0.97 N ATOM 0 H ARG A 51 -10.360 3.736 -9.467 1.00 -0.73 H new ATOM 0 HA ARG A 51 -9.881 3.469 -12.362 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -12.381 4.467 -10.997 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.814 5.328 -12.414 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.982 3.358 -13.807 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.172 2.302 -12.420 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.352 2.552 -13.384 1.00 0.33 H new ATOM 0 HD3 ARG A 51 -14.355 3.482 -11.899 1.00 0.33 H new ATOM 0 HE ARG A 51 -13.699 5.051 -14.303 1.00 -0.84 H new ATOM 0 HH11 ARG A 51 -16.254 3.915 -12.114 1.00 -0.97 H new ATOM 0 HH12 ARG A 51 -17.393 5.172 -12.607 1.00 -0.97 H new ATOM 0 HH21 ARG A 51 -15.174 6.673 -14.918 1.00 -0.97 H new ATOM 0 HH22 ARG A 51 -16.783 6.730 -14.191 1.00 -0.97 H new ATOM 873 N LYS A 52 -9.244 6.044 -12.360 1.00 -0.73 N ATOM 874 CA LYS A 52 -8.530 7.310 -12.259 1.00 0.36 C ATOM 875 C LYS A 52 -9.536 8.447 -12.396 1.00 0.57 C ATOM 876 O LYS A 52 -10.572 8.320 -13.055 1.00 -0.57 O ATOM 877 CB LYS A 52 -7.404 7.350 -13.304 1.00 0.00 C ATOM 878 CG LYS A 52 -6.374 8.457 -13.024 1.00 0.00 C ATOM 879 CD LYS A 52 -5.032 8.186 -13.725 1.00 0.00 C ATOM 880 CE LYS A 52 -4.388 9.466 -14.275 1.00 0.50 C ATOM 881 NZ LYS A 52 -4.505 9.592 -15.747 1.00 -0.85 N ATOM 0 H LYS A 52 -9.514 5.794 -13.311 1.00 -0.73 H new ATOM 0 HA LYS A 52 -8.047 7.422 -11.288 1.00 0.36 H new ATOM 0 HB2 LYS A 52 -6.898 6.385 -13.324 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.837 7.503 -14.293 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.771 9.415 -13.359 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.212 8.538 -11.949 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.347 7.712 -13.022 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.188 7.482 -14.542 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.855 10.331 -13.804 1.00 0.50 H new ATOM 0 HE3 LYS A 52 -3.334 9.483 -13.998 1.00 0.50 H new ATOM 0 HZ1 LYS A 52 -4.052 10.475 -16.057 1.00 -0.85 H new ATOM 0 HZ2 LYS A 52 -4.036 8.784 -16.203 1.00 -0.85 H new ATOM 0 HZ3 LYS A 52 -5.510 9.606 -16.015 1.00 -0.85 H new ATOM 895 N VAL A 53 -9.231 9.557 -11.735 1.00 -0.73 N ATOM 896 CA VAL A 53 -9.956 10.814 -11.859 1.00 0.36 C ATOM 897 C VAL A 53 -9.672 11.465 -13.220 1.00 0.57 C ATOM 898 O VAL A 53 -8.733 11.083 -13.923 1.00 -0.57 O ATOM 899 CB VAL A 53 -9.568 11.737 -10.685 1.00 0.00 C ATOM 900 CG1 VAL A 53 -9.954 11.088 -9.347 1.00 0.00 C ATOM 901 CG2 VAL A 53 -8.068 12.074 -10.693 1.00 0.00 C ATOM 0 H VAL A 53 -8.451 9.608 -11.080 1.00 -0.73 H new ATOM 0 HA VAL A 53 -11.030 10.631 -11.812 1.00 0.36 H new ATOM 0 HB VAL A 53 -10.119 12.670 -10.807 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.674 11.750 -8.527 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.030 10.915 -9.323 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.432 10.137 -9.240 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.837 12.726 -9.850 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.488 11.155 -10.610 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.814 12.581 -11.624 1.00 0.00 H new ATOM 911 N VAL A 54 -10.472 12.481 -13.558 1.00 -0.73 N ATOM 912 CA VAL A 54 -10.251 13.327 -14.729 1.00 0.36 C ATOM 913 C VAL A 54 -9.719 14.705 -14.315 1.00 0.57 C ATOM 914 O VAL A 54 -8.801 15.202 -14.957 1.00 -0.57 O ATOM 915 CB VAL A 54 -11.531 13.412 -15.594 1.00 0.00 C ATOM 916 CG1 VAL A 54 -11.772 12.078 -16.317 1.00 0.00 C ATOM 917 CG2 VAL A 54 -12.804 13.785 -14.808 1.00 0.00 C ATOM 0 H VAL A 54 -11.299 12.740 -13.019 1.00 -0.73 H new ATOM 0 HA VAL A 54 -9.482 12.871 -15.352 1.00 0.36 H new ATOM 0 HB VAL A 54 -11.347 14.219 -16.303 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -12.676 12.150 -16.922 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.921 11.854 -16.960 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -11.891 11.282 -15.582 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -13.654 13.823 -15.489 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -12.989 13.036 -14.038 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -12.670 14.760 -14.340 1.00 0.00 H new ATOM 927 N TRP A 55 -10.243 15.299 -13.233 1.00 -0.73 N ATOM 928 CA TRP A 55 -9.845 16.610 -12.718 1.00 0.36 C ATOM 929 C TRP A 55 -10.401 16.731 -11.292 1.00 0.57 C ATOM 930 O TRP A 55 -11.518 17.205 -11.098 1.00 -0.57 O ATOM 931 CB TRP A 55 -10.340 17.748 -13.645 1.00 0.18 C ATOM 932 CG TRP A 55 -9.292 18.372 -14.523 1.00 -0.18 C ATOM 933 CD1 TRP A 55 -9.022 18.049 -15.809 1.00 -0.30 C ATOM 934 CD2 TRP A 55 -8.327 19.415 -14.175 1.00 0.00 C ATOM 935 NE1 TRP A 55 -7.966 18.804 -16.275 1.00 0.03 N ATOM 936 CE2 TRP A 55 -7.487 19.660 -15.304 1.00 -0.15 C ATOM 937 CE3 TRP A 55 -8.066 20.167 -13.009 1.00 -0.15 C ATOM 938 CZ2 TRP A 55 -6.435 20.589 -15.272 1.00 -0.15 C ATOM 939 CZ3 TRP A 55 -7.009 21.098 -12.962 1.00 -0.15 C ATOM 940 CH2 TRP A 55 -6.191 21.306 -14.086 1.00 -0.15 C ATOM 0 H TRP A 55 -10.979 14.863 -12.677 1.00 -0.73 H new ATOM 0 HA TRP A 55 -8.759 16.704 -12.694 1.00 0.36 H new ATOM 0 HB2 TRP A 55 -11.134 17.355 -14.280 1.00 0.18 H new ATOM 0 HB3 TRP A 55 -10.783 18.529 -13.027 1.00 0.18 H new ATOM 0 HD1 TRP A 55 -9.555 17.308 -16.386 1.00 -0.30 H new ATOM 0 HE1 TRP A 55 -7.586 18.738 -17.219 1.00 0.03 H new ATOM 0 HE3 TRP A 55 -8.688 20.026 -12.137 1.00 -0.15 H new ATOM 0 HZ2 TRP A 55 -5.821 20.751 -16.146 1.00 -0.15 H new ATOM 0 HZ3 TRP A 55 -6.826 21.656 -12.055 1.00 -0.15 H new ATOM 0 HH2 TRP A 55 -5.377 22.014 -14.039 1.00 -0.15 H new ATOM 951 N GLY A 56 -9.645 16.254 -10.298 1.00 -0.73 N ATOM 952 CA GLY A 56 -9.958 16.391 -8.876 1.00 0.36 C ATOM 953 C GLY A 56 -9.130 15.402 -8.055 1.00 0.57 C ATOM 954 O GLY A 56 -8.612 14.435 -8.609 1.00 -0.57 O ATOM 0 H GLY A 56 -8.775 15.749 -10.467 1.00 -0.73 H new ATOM 0 HA2 GLY A 56 -9.752 17.410 -8.547 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -11.020 16.212 -8.711 1.00 0.36 H new ATOM 958 N THR A 57 -8.977 15.637 -6.745 1.00 -0.73 N ATOM 959 CA THR A 57 -8.248 14.728 -5.862 1.00 0.36 C ATOM 960 C THR A 57 -9.008 13.404 -5.753 1.00 0.57 C ATOM 961 O THR A 57 -10.232 13.393 -5.575 1.00 -0.57 O ATOM 962 CB THR A 57 -8.033 15.383 -4.482 1.00 0.28 C ATOM 963 OG1 THR A 57 -7.206 16.520 -4.642 1.00 -0.68 O ATOM 964 CG2 THR A 57 -7.387 14.440 -3.458 1.00 0.00 C ATOM 0 H THR A 57 -9.354 16.459 -6.273 1.00 -0.73 H new ATOM 0 HA THR A 57 -7.263 14.519 -6.279 1.00 0.36 H new ATOM 0 HB THR A 57 -9.016 15.650 -4.095 1.00 0.28 H new ATOM 0 HG1 THR A 57 -7.064 16.946 -3.771 1.00 -0.68 H new ATOM 0 HG21 THR A 57 -7.264 14.962 -2.509 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.026 13.569 -3.312 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.412 14.118 -3.824 1.00 0.00 H new ATOM 972 N ALA A 58 -8.261 12.299 -5.833 1.00 -0.73 N ATOM 973 CA ALA A 58 -8.789 10.961 -5.651 1.00 0.36 C ATOM 974 C ALA A 58 -8.787 10.556 -4.186 1.00 0.57 C ATOM 975 O ALA A 58 -8.088 11.140 -3.357 1.00 -0.57 O ATOM 976 CB ALA A 58 -7.914 9.970 -6.398 1.00 0.00 C ATOM 0 H ALA A 58 -7.260 12.318 -6.029 1.00 -0.73 H new ATOM 0 HA ALA A 58 -9.812 10.957 -6.027 1.00 0.36 H new ATOM 0 HB1 ALA A 58 -8.308 8.963 -6.263 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.908 10.218 -7.459 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -6.897 10.017 -6.008 1.00 0.00 H new ATOM 982 N ASP A 59 -9.528 9.490 -3.898 1.00 -0.73 N ATOM 983 CA ASP A 59 -9.615 8.947 -2.557 1.00 0.36 C ATOM 984 C ASP A 59 -8.278 8.280 -2.158 1.00 0.57 C ATOM 985 O ASP A 59 -7.914 8.362 -0.984 1.00 -0.57 O ATOM 986 CB ASP A 59 -10.843 8.036 -2.482 1.00 0.06 C ATOM 987 CG ASP A 59 -12.136 8.751 -2.935 1.00 0.66 C ATOM 988 OD1 ASP A 59 -12.650 8.445 -3.998 1.00 -0.57 O ATOM 989 OD2 ASP A 59 -12.655 9.703 -2.165 1.00 -0.65 O ATOM 0 H ASP A 59 -10.081 8.984 -4.589 1.00 -0.73 H new ATOM 0 HA ASP A 59 -9.762 9.731 -1.814 1.00 0.36 H new ATOM 0 HB2 ASP A 59 -10.679 7.158 -3.106 1.00 0.06 H new ATOM 0 HB3 ASP A 59 -10.967 7.681 -1.459 1.00 0.06 H new ATOM 995 N ILE A 60 -7.508 7.750 -3.131 1.00 -0.73 N ATOM 996 CA ILE A 60 -6.127 7.256 -2.988 1.00 0.36 C ATOM 997 C ILE A 60 -5.189 8.164 -3.808 1.00 0.57 C ATOM 998 O ILE A 60 -4.802 7.875 -4.945 1.00 -0.57 O ATOM 999 CB ILE A 60 -6.045 5.752 -3.366 1.00 0.00 C ATOM 1000 CG1 ILE A 60 -6.832 4.883 -2.360 1.00 0.00 C ATOM 1001 CG2 ILE A 60 -4.616 5.178 -3.425 1.00 0.00 C ATOM 1002 CD1 ILE A 60 -7.988 4.144 -3.014 1.00 0.00 C ATOM 0 H ILE A 60 -7.853 7.651 -4.086 1.00 -0.73 H new ATOM 0 HA ILE A 60 -5.799 7.309 -1.950 1.00 0.36 H new ATOM 0 HB ILE A 60 -6.472 5.713 -4.368 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.156 4.161 -1.901 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.215 5.516 -1.559 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.659 4.123 -3.696 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.036 5.721 -4.171 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.141 5.283 -2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.509 3.548 -2.265 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -8.680 4.864 -3.450 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.605 3.489 -3.797 1.00 0.00 H new ATOM 1014 N MET A 61 -4.830 9.312 -3.241 1.00 -0.73 N ATOM 1015 CA MET A 61 -3.709 10.109 -3.702 1.00 0.36 C ATOM 1016 C MET A 61 -2.425 9.341 -3.372 1.00 0.57 C ATOM 1017 O MET A 61 -2.208 8.954 -2.223 1.00 -0.57 O ATOM 1018 CB MET A 61 -3.725 11.482 -3.014 1.00 0.00 C ATOM 1019 CG MET A 61 -2.689 12.439 -3.600 1.00 0.23 C ATOM 1020 SD MET A 61 -2.206 13.795 -2.495 1.00 -0.46 S ATOM 1021 CE MET A 61 -3.701 14.816 -2.520 1.00 0.23 C ATOM 0 H MET A 61 -5.317 9.715 -2.441 1.00 -0.73 H new ATOM 0 HA MET A 61 -3.769 10.281 -4.777 1.00 0.36 H new ATOM 0 HB2 MET A 61 -4.718 11.922 -3.110 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.535 11.354 -1.948 1.00 0.00 H new ATOM 0 HG2 MET A 61 -1.798 11.870 -3.867 1.00 0.23 H new ATOM 0 HG3 MET A 61 -3.086 12.863 -4.523 1.00 0.23 H new ATOM 0 HE1 MET A 61 -3.556 15.690 -1.885 1.00 0.23 H new ATOM 0 HE2 MET A 61 -3.904 15.140 -3.541 1.00 0.23 H new ATOM 0 HE3 MET A 61 -4.545 14.234 -2.150 1.00 0.23 H new ATOM 1031 N ILE A 62 -1.557 9.155 -4.366 1.00 -0.73 N ATOM 1032 CA ILE A 62 -0.250 8.525 -4.198 1.00 0.36 C ATOM 1033 C ILE A 62 0.763 9.612 -4.537 1.00 0.57 C ATOM 1034 O ILE A 62 0.666 10.234 -5.596 1.00 -0.57 O ATOM 1035 CB ILE A 62 -0.126 7.277 -5.101 1.00 0.00 C ATOM 1036 CG1 ILE A 62 -1.167 6.184 -4.751 1.00 0.00 C ATOM 1037 CG2 ILE A 62 1.278 6.653 -5.020 1.00 0.00 C ATOM 1038 CD1 ILE A 62 -1.773 5.562 -6.015 1.00 0.00 C ATOM 0 H ILE A 62 -1.746 9.443 -5.326 1.00 -0.73 H new ATOM 0 HA ILE A 62 -0.085 8.155 -3.186 1.00 0.36 H new ATOM 0 HB ILE A 62 -0.314 7.633 -6.114 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.693 5.406 -4.153 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.960 6.617 -4.141 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.325 5.778 -5.669 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.020 7.384 -5.342 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.485 6.354 -3.992 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.499 4.799 -5.733 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.269 6.337 -6.600 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.982 5.107 -6.612 1.00 0.00 H new ATOM 1050 N GLY A 63 1.722 9.871 -3.649 1.00 -0.73 N ATOM 1051 CA GLY A 63 2.705 10.924 -3.870 1.00 0.36 C ATOM 1052 C GLY A 63 4.081 10.509 -3.390 1.00 0.57 C ATOM 1053 O GLY A 63 4.217 9.627 -2.547 1.00 -0.57 O ATOM 0 H GLY A 63 1.837 9.365 -2.771 1.00 -0.73 H new ATOM 0 HA2 GLY A 63 2.747 11.167 -4.932 1.00 0.36 H new ATOM 0 HA3 GLY A 63 2.394 11.829 -3.348 1.00 0.36 H new ATOM 1057 N PHE A 64 5.107 11.170 -3.920 1.00 -0.73 N ATOM 1058 CA PHE A 64 6.493 10.879 -3.607 1.00 0.36 C ATOM 1059 C PHE A 64 7.181 12.224 -3.345 1.00 0.57 C ATOM 1060 O PHE A 64 6.816 13.247 -3.952 1.00 -0.57 O ATOM 1061 CB PHE A 64 7.181 10.050 -4.719 1.00 0.14 C ATOM 1062 CG PHE A 64 6.447 8.802 -5.217 1.00 -0.14 C ATOM 1063 CD1 PHE A 64 5.259 8.943 -5.949 1.00 -0.15 C ATOM 1064 CD2 PHE A 64 6.940 7.503 -4.981 1.00 -0.15 C ATOM 1065 CE1 PHE A 64 4.535 7.826 -6.392 1.00 -0.15 C ATOM 1066 CE2 PHE A 64 6.196 6.377 -5.383 1.00 -0.15 C ATOM 1067 CZ PHE A 64 4.990 6.535 -6.086 1.00 -0.15 C ATOM 0 H PHE A 64 4.992 11.932 -4.588 1.00 -0.73 H new ATOM 0 HA PHE A 64 6.566 10.249 -2.721 1.00 0.36 H new ATOM 0 HB2 PHE A 64 7.351 10.706 -5.573 1.00 0.14 H new ATOM 0 HB3 PHE A 64 8.161 9.742 -4.354 1.00 0.14 H new ATOM 0 HD1 PHE A 64 4.893 9.933 -6.177 1.00 -0.15 H new ATOM 0 HD2 PHE A 64 7.893 7.371 -4.490 1.00 -0.15 H new ATOM 0 HE1 PHE A 64 3.630 7.960 -6.967 1.00 -0.15 H new ATOM 0 HE2 PHE A 64 6.555 5.386 -5.149 1.00 -0.15 H new ATOM 0 HZ PHE A 64 4.418 5.670 -6.388 1.00 -0.15 H new ATOM 1077 N ALA A 65 8.144 12.215 -2.422 1.00 -0.73 N ATOM 1078 CA ALA A 65 8.955 13.361 -2.013 1.00 0.36 C ATOM 1079 C ALA A 65 10.370 12.870 -1.705 1.00 0.57 C ATOM 1080 O ALA A 65 10.584 11.664 -1.702 1.00 -0.57 O ATOM 1081 CB ALA A 65 8.333 13.990 -0.767 1.00 0.00 C ATOM 0 H ALA A 65 8.391 11.365 -1.915 1.00 -0.73 H new ATOM 0 HA ALA A 65 8.994 14.107 -2.807 1.00 0.36 H new ATOM 0 HB1 ALA A 65 8.931 14.846 -0.454 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.319 14.319 -0.993 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.305 13.254 0.037 1.00 0.00 H new ATOM 1087 N ARG A 66 11.331 13.761 -1.430 1.00 -0.73 N ATOM 1088 CA ARG A 66 12.745 13.381 -1.354 1.00 0.36 C ATOM 1089 C ARG A 66 13.426 13.981 -0.116 1.00 0.57 C ATOM 1090 O ARG A 66 14.299 14.852 -0.241 1.00 -0.57 O ATOM 1091 CB ARG A 66 13.438 13.742 -2.679 1.00 0.00 C ATOM 1092 CG ARG A 66 14.785 13.007 -2.800 1.00 0.00 C ATOM 1093 CD ARG A 66 15.899 13.865 -3.391 1.00 0.33 C ATOM 1094 NE ARG A 66 16.357 14.845 -2.387 1.00 -0.84 N ATOM 1095 CZ ARG A 66 17.548 15.463 -2.369 1.00 1.20 C ATOM 1096 NH1 ARG A 66 18.421 15.295 -3.366 1.00 -0.97 N ATOM 1097 NH2 ARG A 66 17.865 16.257 -1.347 1.00 -0.97 N ATOM 0 H ARG A 66 11.154 14.750 -1.257 1.00 -0.73 H new ATOM 0 HA ARG A 66 12.831 12.302 -1.224 1.00 0.36 H new ATOM 0 HB2 ARG A 66 12.795 13.475 -3.517 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.599 14.819 -2.731 1.00 0.00 H new ATOM 0 HG2 ARG A 66 15.090 12.660 -1.813 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.651 12.122 -3.421 1.00 0.00 H new ATOM 0 HD2 ARG A 66 16.731 13.234 -3.703 1.00 0.33 H new ATOM 0 HD3 ARG A 66 15.540 14.382 -4.281 1.00 0.33 H new ATOM 0 HE ARG A 66 15.707 15.074 -1.636 1.00 -0.84 H new ATOM 0 HH11 ARG A 66 18.186 14.691 -4.154 1.00 -0.97 H new ATOM 0 HH12 ARG A 66 19.323 15.771 -3.340 1.00 -0.97 H new ATOM 0 HH21 ARG A 66 17.204 16.393 -0.583 1.00 -0.97 H new ATOM 0 HH22 ARG A 66 18.769 16.729 -1.329 1.00 -0.97 H new ATOM 1111 N GLY A 67 12.999 13.513 1.063 1.00 -0.73 N ATOM 1112 CA GLY A 67 13.419 14.052 2.352 1.00 0.36 C ATOM 1113 C GLY A 67 12.589 15.286 2.718 1.00 0.57 C ATOM 1114 O GLY A 67 12.817 16.365 2.172 1.00 -0.57 O ATOM 0 H GLY A 67 12.342 12.737 1.144 1.00 -0.73 H new ATOM 0 HA2 GLY A 67 13.308 13.291 3.124 1.00 0.36 H new ATOM 0 HA3 GLY A 67 14.476 14.316 2.315 1.00 0.36 H new ATOM 1118 N ALA A 68 11.658 15.116 3.667 1.00 -0.73 N ATOM 1119 CA ALA A 68 10.592 16.035 4.071 1.00 0.36 C ATOM 1120 C ALA A 68 9.631 16.436 2.936 1.00 0.57 C ATOM 1121 O ALA A 68 9.937 16.298 1.754 1.00 -0.57 O ATOM 1122 CB ALA A 68 11.177 17.238 4.826 1.00 0.00 C ATOM 0 H ALA A 68 11.632 14.257 4.217 1.00 -0.73 H new ATOM 0 HA ALA A 68 9.951 15.485 4.760 1.00 0.36 H new ATOM 0 HB1 ALA A 68 10.371 17.911 5.119 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.700 16.889 5.716 1.00 0.00 H new ATOM 0 HB3 ALA A 68 11.876 17.769 4.179 1.00 0.00 H new ATOM 1128 N HIS A 69 8.439 16.922 3.309 1.00 -0.73 N ATOM 1129 CA HIS A 69 7.421 17.441 2.395 1.00 0.36 C ATOM 1130 C HIS A 69 6.325 18.174 3.172 1.00 0.57 C ATOM 1131 O HIS A 69 6.261 18.087 4.403 1.00 -0.57 O ATOM 1132 CB HIS A 69 6.811 16.333 1.516 1.00 0.17 C ATOM 1133 CG HIS A 69 6.297 15.082 2.191 1.00 0.18 C ATOM 1134 ND1 HIS A 69 6.100 14.852 3.527 1.00 -0.70 N flip ATOM 1135 CD2 HIS A 69 5.932 13.931 1.530 1.00 0.20 C flip ATOM 1136 CE1 HIS A 69 5.631 13.549 3.680 1.00 0.65 C flip ATOM 1137 NE2 HIS A 69 5.549 13.037 2.451 1.00 -0.70 N flip ATOM 0 H HIS A 69 8.151 16.965 4.287 1.00 -0.73 H new ATOM 0 HA HIS A 69 7.915 18.147 1.728 1.00 0.36 H new ATOM 0 HB2 HIS A 69 5.985 16.771 0.955 1.00 0.17 H new ATOM 0 HB3 HIS A 69 7.566 16.032 0.789 1.00 0.17 H new ATOM 0 HD1 HIS A 69 6.268 15.519 4.280 1.00 -0.70 H new ATOM 0 HD2 HIS A 69 5.951 13.777 0.461 1.00 0.20 H new ATOM 0 HE1 HIS A 69 5.384 13.053 4.607 1.00 0.65 H new ATOM 1146 N GLY A 70 5.449 18.864 2.434 1.00 -0.73 N ATOM 1147 CA GLY A 70 4.312 19.612 2.952 1.00 0.36 C ATOM 1148 C GLY A 70 3.141 18.706 3.323 1.00 0.57 C ATOM 1149 O GLY A 70 2.073 18.825 2.727 1.00 -0.57 O ATOM 0 H GLY A 70 5.521 18.915 1.418 1.00 -0.73 H new ATOM 0 HA2 GLY A 70 4.622 20.178 3.830 1.00 0.36 H new ATOM 0 HA3 GLY A 70 3.986 20.336 2.205 1.00 0.36 H new ATOM 1153 N ASP A 71 3.351 17.797 4.275 1.00 -0.73 N ATOM 1154 CA ASP A 71 2.374 16.800 4.708 1.00 0.36 C ATOM 1155 C ASP A 71 2.277 16.794 6.242 1.00 0.57 C ATOM 1156 O ASP A 71 2.965 17.581 6.898 1.00 -0.57 O ATOM 1157 CB ASP A 71 2.808 15.440 4.166 1.00 0.06 C ATOM 1158 CG ASP A 71 1.715 14.402 4.353 1.00 0.66 C ATOM 1159 OD1 ASP A 71 0.646 14.588 3.795 1.00 -0.57 O ATOM 1160 OD2 ASP A 71 2.018 13.369 5.135 1.00 -0.65 O ATOM 0 H ASP A 71 4.234 17.733 4.782 1.00 -0.73 H new ATOM 0 HA ASP A 71 1.383 17.037 4.322 1.00 0.36 H new ATOM 0 HB2 ASP A 71 3.053 15.528 3.107 1.00 0.06 H new ATOM 0 HB3 ASP A 71 3.714 15.114 4.676 1.00 0.06 H new ATOM 1166 N SER A 72 1.438 15.927 6.831 1.00 -0.73 N ATOM 1167 CA SER A 72 1.330 15.796 8.278 1.00 0.36 C ATOM 1168 C SER A 72 2.680 15.431 8.905 1.00 0.57 C ATOM 1169 O SER A 72 3.003 15.961 9.970 1.00 -0.57 O ATOM 1170 CB SER A 72 0.245 14.765 8.623 1.00 0.28 C ATOM 1171 OG SER A 72 0.458 13.551 7.931 1.00 -0.68 O ATOM 0 H SER A 72 0.821 15.302 6.312 1.00 -0.73 H new ATOM 0 HA SER A 72 1.038 16.758 8.700 1.00 0.36 H new ATOM 0 HB2 SER A 72 0.244 14.579 9.697 1.00 0.28 H new ATOM 0 HB3 SER A 72 -0.736 15.166 8.367 1.00 0.28 H new ATOM 0 HG SER A 72 0.983 12.943 8.492 1.00 -0.68 H new ATOM 1177 N TYR A 73 3.488 14.592 8.232 1.00 -0.73 N ATOM 1178 CA TYR A 73 4.723 14.046 8.787 1.00 0.36 C ATOM 1179 C TYR A 73 5.856 14.117 7.752 1.00 0.57 C ATOM 1180 O TYR A 73 5.793 13.404 6.753 1.00 -0.57 O ATOM 1181 CB TYR A 73 4.481 12.594 9.241 1.00 0.14 C ATOM 1182 CG TYR A 73 3.356 12.415 10.253 1.00 -0.14 C ATOM 1183 CD1 TYR A 73 3.303 13.236 11.394 1.00 -0.15 C ATOM 1184 CD2 TYR A 73 2.348 11.450 10.048 1.00 -0.15 C ATOM 1185 CE1 TYR A 73 2.241 13.125 12.304 1.00 -0.15 C ATOM 1186 CE2 TYR A 73 1.283 11.324 10.962 1.00 -0.15 C ATOM 1187 CZ TYR A 73 1.220 12.173 12.097 1.00 0.08 C ATOM 1188 OH TYR A 73 0.188 12.114 12.991 1.00 -0.53 O ATOM 0 H TYR A 73 3.294 14.276 7.282 1.00 -0.73 H new ATOM 0 HA TYR A 73 5.025 14.640 9.650 1.00 0.36 H new ATOM 0 HB2 TYR A 73 4.260 11.987 8.363 1.00 0.14 H new ATOM 0 HB3 TYR A 73 5.403 12.206 9.673 1.00 0.14 H new ATOM 0 HD1 TYR A 73 4.087 13.958 11.571 1.00 -0.15 H new ATOM 0 HD2 TYR A 73 2.393 10.803 9.184 1.00 -0.15 H new ATOM 0 HE1 TYR A 73 2.205 13.772 13.168 1.00 -0.15 H new ATOM 0 HE2 TYR A 73 0.515 10.582 10.799 1.00 -0.15 H new ATOM 0 HH TYR A 73 -0.440 11.412 12.720 1.00 -0.53 H new ATOM 1198 N PRO A 74 6.898 14.948 7.954 1.00 -0.66 N ATOM 1199 CA PRO A 74 8.001 15.043 7.009 1.00 0.36 C ATOM 1200 C PRO A 74 8.858 13.768 7.022 1.00 0.57 C ATOM 1201 O PRO A 74 9.303 13.325 8.081 1.00 -0.57 O ATOM 1202 CB PRO A 74 8.799 16.285 7.415 1.00 0.00 C ATOM 1203 CG PRO A 74 8.448 16.525 8.884 1.00 0.00 C ATOM 1204 CD PRO A 74 7.094 15.847 9.083 1.00 0.30 C ATOM 0 HA PRO A 74 7.644 15.136 5.983 1.00 0.36 H new ATOM 0 HB2 PRO A 74 9.869 16.124 7.287 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.530 17.144 6.800 1.00 0.00 H new ATOM 0 HG2 PRO A 74 9.203 16.100 9.545 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.393 17.590 9.108 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.073 15.296 10.023 1.00 0.30 H new ATOM 0 HD3 PRO A 74 6.295 16.587 9.130 1.00 0.30 H new ATOM 1212 N PHE A 75 9.116 13.229 5.824 1.00 -0.73 N ATOM 1213 CA PHE A 75 10.111 12.187 5.569 1.00 0.36 C ATOM 1214 C PHE A 75 11.536 12.591 5.961 1.00 0.57 C ATOM 1215 O PHE A 75 11.833 13.766 6.169 1.00 -0.57 O ATOM 1216 CB PHE A 75 10.096 11.843 4.070 1.00 0.14 C ATOM 1217 CG PHE A 75 9.053 10.833 3.657 1.00 -0.14 C ATOM 1218 CD1 PHE A 75 8.975 9.581 4.300 1.00 -0.15 C ATOM 1219 CD2 PHE A 75 8.202 11.127 2.581 1.00 -0.15 C ATOM 1220 CE1 PHE A 75 7.992 8.657 3.913 1.00 -0.15 C ATOM 1221 CE2 PHE A 75 7.238 10.192 2.181 1.00 -0.15 C ATOM 1222 CZ PHE A 75 7.113 8.976 2.868 1.00 -0.15 C ATOM 0 H PHE A 75 8.621 13.517 4.980 1.00 -0.73 H new ATOM 0 HA PHE A 75 9.838 11.332 6.188 1.00 0.36 H new ATOM 0 HB2 PHE A 75 9.936 12.760 3.504 1.00 0.14 H new ATOM 0 HB3 PHE A 75 11.079 11.463 3.790 1.00 0.14 H new ATOM 0 HD1 PHE A 75 9.670 9.333 5.089 1.00 -0.15 H new ATOM 0 HD2 PHE A 75 8.290 12.071 2.063 1.00 -0.15 H new ATOM 0 HE1 PHE A 75 7.913 7.705 4.417 1.00 -0.15 H new ATOM 0 HE2 PHE A 75 6.591 10.408 1.343 1.00 -0.15 H new ATOM 0 HZ PHE A 75 6.335 8.281 2.590 1.00 -0.15 H new ATOM 1232 N ASP A 76 12.435 11.603 5.936 1.00 -0.73 N ATOM 1233 CA ASP A 76 13.826 11.678 6.381 1.00 0.36 C ATOM 1234 C ASP A 76 14.823 11.477 5.216 1.00 0.57 C ATOM 1235 O ASP A 76 15.946 11.984 5.291 1.00 -0.57 O ATOM 1236 CB ASP A 76 14.008 10.533 7.402 1.00 0.06 C ATOM 1237 CG ASP A 76 13.656 9.187 6.768 1.00 0.66 C ATOM 1238 OD1 ASP A 76 12.481 8.858 6.748 1.00 -0.57 O ATOM 1239 OD2 ASP A 76 14.621 8.484 6.182 1.00 -0.65 O ATOM 0 H ASP A 76 12.196 10.676 5.584 1.00 -0.73 H new ATOM 0 HA ASP A 76 14.027 12.662 6.804 1.00 0.36 H new ATOM 0 HB2 ASP A 76 15.038 10.516 7.757 1.00 0.06 H new ATOM 0 HB3 ASP A 76 13.374 10.709 8.271 1.00 0.06 H new ATOM 1245 N GLY A 77 14.457 10.783 4.129 1.00 -0.73 N ATOM 1246 CA GLY A 77 15.371 10.461 3.036 1.00 0.36 C ATOM 1247 C GLY A 77 15.817 8.990 3.092 1.00 0.57 C ATOM 1248 O GLY A 77 14.982 8.127 3.326 1.00 -0.57 O ATOM 0 H GLY A 77 13.511 10.429 3.987 1.00 -0.73 H new ATOM 0 HA2 GLY A 77 14.883 10.659 2.082 1.00 0.36 H new ATOM 0 HA3 GLY A 77 16.245 11.110 3.088 1.00 0.36 H new ATOM 1252 N PRO A 78 17.091 8.643 2.832 1.00 -0.66 N ATOM 1253 CA PRO A 78 17.553 7.257 2.785 1.00 0.36 C ATOM 1254 C PRO A 78 17.760 6.662 4.197 1.00 0.57 C ATOM 1255 O PRO A 78 18.809 6.882 4.807 1.00 -0.57 O ATOM 1256 CB PRO A 78 18.836 7.307 1.942 1.00 0.00 C ATOM 1257 CG PRO A 78 19.385 8.722 2.139 1.00 0.00 C ATOM 1258 CD PRO A 78 18.162 9.564 2.492 1.00 0.30 C ATOM 0 HA PRO A 78 16.818 6.587 2.339 1.00 0.36 H new ATOM 0 HB2 PRO A 78 19.554 6.556 2.271 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.626 7.108 0.891 1.00 0.00 H new ATOM 0 HG2 PRO A 78 20.129 8.751 2.935 1.00 0.00 H new ATOM 0 HG3 PRO A 78 19.871 9.088 1.235 1.00 0.00 H new ATOM 0 HD2 PRO A 78 18.380 10.227 3.329 1.00 0.30 H new ATOM 0 HD3 PRO A 78 17.874 10.196 1.652 1.00 0.30 H new ATOM 1266 N GLY A 79 16.788 5.898 4.722 1.00 -0.73 N ATOM 1267 CA GLY A 79 16.888 5.178 5.996 1.00 0.36 C ATOM 1268 C GLY A 79 15.554 5.154 6.750 1.00 0.57 C ATOM 1269 O GLY A 79 14.565 5.704 6.284 1.00 -0.57 O ATOM 0 H GLY A 79 15.890 5.763 4.258 1.00 -0.73 H new ATOM 0 HA2 GLY A 79 17.217 4.156 5.809 1.00 0.36 H new ATOM 0 HA3 GLY A 79 17.648 5.649 6.619 1.00 0.36 H new ATOM 1273 N ASN A 80 15.518 4.591 7.967 1.00 -0.73 N ATOM 1274 CA ASN A 80 14.350 4.688 8.862 1.00 0.36 C ATOM 1275 C ASN A 80 13.057 4.245 8.126 1.00 0.57 C ATOM 1276 O ASN A 80 13.062 3.162 7.531 1.00 -0.57 O ATOM 1277 CB ASN A 80 14.345 6.116 9.465 1.00 0.06 C ATOM 1278 CG ASN A 80 13.548 6.277 10.759 1.00 0.57 C ATOM 1279 OD1 ASN A 80 13.864 5.701 11.799 1.00 -0.57 O ATOM 1280 ND2 ASN A 80 12.544 7.143 10.750 1.00 -0.80 N ATOM 0 H ASN A 80 16.293 4.057 8.359 1.00 -0.73 H new ATOM 0 HA ASN A 80 14.404 3.996 9.702 1.00 0.36 H new ATOM 0 HB2 ASN A 80 15.376 6.417 9.653 1.00 0.06 H new ATOM 0 HB3 ASN A 80 13.943 6.805 8.722 1.00 0.06 H new ATOM 0 HD21 ASN A 80 12.028 7.335 11.609 1.00 -0.80 H new ATOM 0 HD22 ASN A 80 12.287 7.617 9.884 1.00 -0.80 H new ATOM 1287 N THR A 81 11.976 5.043 8.189 1.00 -0.73 N ATOM 1288 CA THR A 81 10.696 4.912 7.480 1.00 0.36 C ATOM 1289 C THR A 81 10.876 5.175 5.968 1.00 0.57 C ATOM 1290 O THR A 81 11.454 6.186 5.584 1.00 -0.57 O ATOM 1291 CB THR A 81 9.731 5.951 8.106 1.00 0.28 C ATOM 1292 OG1 THR A 81 9.712 5.785 9.516 1.00 -0.68 O ATOM 1293 CG2 THR A 81 8.280 5.881 7.608 1.00 0.00 C ATOM 0 H THR A 81 11.979 5.867 8.790 1.00 -0.73 H new ATOM 0 HA THR A 81 10.299 3.902 7.580 1.00 0.36 H new ATOM 0 HB THR A 81 10.122 6.921 7.798 1.00 0.28 H new ATOM 0 HG1 THR A 81 9.104 6.442 9.915 1.00 -0.68 H new ATOM 0 HG21 THR A 81 7.687 6.648 8.106 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.257 6.047 6.531 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.865 4.899 7.833 1.00 0.00 H new ATOM 1301 N LEU A 82 10.337 4.310 5.099 1.00 -0.73 N ATOM 1302 CA LEU A 82 10.496 4.366 3.642 1.00 0.36 C ATOM 1303 C LEU A 82 9.258 4.940 2.930 1.00 0.57 C ATOM 1304 O LEU A 82 9.378 5.541 1.858 1.00 -0.57 O ATOM 1305 CB LEU A 82 10.773 2.953 3.088 1.00 0.00 C ATOM 1306 CG LEU A 82 12.117 2.336 3.534 1.00 0.00 C ATOM 1307 CD1 LEU A 82 12.060 1.545 4.850 1.00 0.00 C ATOM 1308 CD2 LEU A 82 12.612 1.365 2.465 1.00 0.00 C ATOM 0 H LEU A 82 9.759 3.526 5.402 1.00 -0.73 H new ATOM 0 HA LEU A 82 11.336 5.032 3.445 1.00 0.36 H new ATOM 0 HB2 LEU A 82 9.964 2.291 3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.751 2.994 1.999 1.00 0.00 H new ATOM 0 HG LEU A 82 12.779 3.189 3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 82 13.050 1.151 5.081 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.735 2.203 5.656 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.355 0.720 4.748 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.560 0.930 2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.877 0.572 2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.752 1.899 1.525 1.00 0.00 H new ATOM 1320 N ALA A 83 8.064 4.749 3.506 1.00 -0.73 N ATOM 1321 CA ALA A 83 6.794 5.239 2.984 1.00 0.36 C ATOM 1322 C ALA A 83 5.796 5.324 4.149 1.00 0.57 C ATOM 1323 O ALA A 83 5.981 4.637 5.155 1.00 -0.57 O ATOM 1324 CB ALA A 83 6.296 4.308 1.869 1.00 0.00 C ATOM 0 H ALA A 83 7.959 4.230 4.378 1.00 -0.73 H new ATOM 0 HA ALA A 83 6.909 6.231 2.548 1.00 0.36 H new ATOM 0 HB1 ALA A 83 5.347 4.679 1.482 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.030 4.280 1.063 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.158 3.303 2.269 1.00 0.00 H new ATOM 1330 N HIS A 84 4.758 6.155 4.045 1.00 -0.73 N ATOM 1331 CA HIS A 84 3.688 6.207 5.038 1.00 0.36 C ATOM 1332 C HIS A 84 2.353 6.509 4.357 1.00 0.57 C ATOM 1333 O HIS A 84 2.297 7.217 3.349 1.00 -0.57 O ATOM 1334 CB HIS A 84 4.012 7.224 6.151 1.00 0.17 C ATOM 1335 CG HIS A 84 4.251 8.649 5.698 1.00 0.18 C ATOM 1336 ND1 HIS A 84 3.370 9.468 5.039 1.00 -0.70 N flip ATOM 1337 CD2 HIS A 84 5.395 9.389 5.906 1.00 0.20 C flip ATOM 1338 CE1 HIS A 84 4.001 10.687 4.787 1.00 0.65 C flip ATOM 1339 NE2 HIS A 84 5.217 10.598 5.349 1.00 -0.70 N flip ATOM 0 H HIS A 84 4.637 6.809 3.272 1.00 -0.73 H new ATOM 0 HA HIS A 84 3.606 5.231 5.517 1.00 0.36 H new ATOM 0 HB2 HIS A 84 3.190 7.224 6.866 1.00 0.17 H new ATOM 0 HB3 HIS A 84 4.898 6.880 6.684 1.00 0.17 H new ATOM 0 HD1 HIS A 84 2.414 9.227 4.777 1.00 -0.70 H new ATOM 0 HD2 HIS A 84 6.280 9.055 6.426 1.00 0.20 H new ATOM 0 HE1 HIS A 84 3.594 11.530 4.249 1.00 0.65 H new ATOM 1348 N ALA A 85 1.262 6.016 4.951 1.00 -0.73 N ATOM 1349 CA ALA A 85 -0.079 6.144 4.411 1.00 0.36 C ATOM 1350 C ALA A 85 -1.070 6.317 5.551 1.00 0.57 C ATOM 1351 O ALA A 85 -0.758 6.050 6.717 1.00 -0.57 O ATOM 1352 CB ALA A 85 -0.422 4.901 3.578 1.00 0.00 C ATOM 0 H ALA A 85 1.295 5.509 5.836 1.00 -0.73 H new ATOM 0 HA ALA A 85 -0.133 7.020 3.764 1.00 0.36 H new ATOM 0 HB1 ALA A 85 -1.430 5.000 3.174 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.290 4.805 2.758 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.370 4.014 4.210 1.00 0.00 H new ATOM 1358 N PHE A 86 -2.280 6.746 5.195 1.00 -0.73 N ATOM 1359 CA PHE A 86 -3.322 7.079 6.152 1.00 0.36 C ATOM 1360 C PHE A 86 -4.518 6.167 5.891 1.00 0.57 C ATOM 1361 O PHE A 86 -4.737 5.709 4.770 1.00 -0.57 O ATOM 1362 CB PHE A 86 -3.676 8.573 6.051 1.00 0.14 C ATOM 1363 CG PHE A 86 -2.510 9.478 5.671 1.00 -0.14 C ATOM 1364 CD1 PHE A 86 -1.409 9.666 6.532 1.00 -0.15 C ATOM 1365 CD2 PHE A 86 -2.488 10.054 4.389 1.00 -0.15 C ATOM 1366 CE1 PHE A 86 -0.305 10.433 6.105 1.00 -0.15 C ATOM 1367 CE2 PHE A 86 -1.392 10.820 3.963 1.00 -0.15 C ATOM 1368 CZ PHE A 86 -0.301 11.008 4.822 1.00 -0.15 C ATOM 0 H PHE A 86 -2.563 6.872 4.223 1.00 -0.73 H new ATOM 0 HA PHE A 86 -2.983 6.914 7.175 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -4.469 8.696 5.313 1.00 0.14 H new ATOM 0 HB3 PHE A 86 -4.078 8.903 7.009 1.00 0.14 H new ATOM 0 HD1 PHE A 86 -1.411 9.223 7.517 1.00 -0.15 H new ATOM 0 HD2 PHE A 86 -3.325 9.905 3.723 1.00 -0.15 H new ATOM 0 HE1 PHE A 86 0.538 10.579 6.764 1.00 -0.15 H new ATOM 0 HE2 PHE A 86 -1.389 11.262 2.978 1.00 -0.15 H new ATOM 0 HZ PHE A 86 0.545 11.596 4.498 1.00 -0.15 H new ATOM 1378 N ALA A 87 -5.292 5.888 6.941 1.00 -0.73 N ATOM 1379 CA ALA A 87 -6.468 5.035 6.848 1.00 0.36 C ATOM 1380 C ALA A 87 -7.563 5.732 6.035 1.00 0.57 C ATOM 1381 O ALA A 87 -7.621 6.960 6.063 1.00 -0.57 O ATOM 1382 CB ALA A 87 -6.973 4.779 8.261 1.00 0.00 C ATOM 0 H ALA A 87 -5.117 6.250 7.879 1.00 -0.73 H new ATOM 0 HA ALA A 87 -6.212 4.098 6.353 1.00 0.36 H new ATOM 0 HB1 ALA A 87 -7.856 4.141 8.222 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.194 4.285 8.842 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.231 5.727 8.732 1.00 0.00 H new ATOM 1388 N PRO A 88 -8.436 4.997 5.329 1.00 -0.66 N ATOM 1389 CA PRO A 88 -9.493 5.600 4.537 1.00 0.36 C ATOM 1390 C PRO A 88 -10.598 6.168 5.430 1.00 0.57 C ATOM 1391 O PRO A 88 -10.805 5.725 6.561 1.00 -0.57 O ATOM 1392 CB PRO A 88 -9.987 4.490 3.621 1.00 0.00 C ATOM 1393 CG PRO A 88 -9.690 3.205 4.372 1.00 0.00 C ATOM 1394 CD PRO A 88 -8.504 3.548 5.269 1.00 0.30 C ATOM 0 HA PRO A 88 -9.142 6.453 3.956 1.00 0.36 H new ATOM 0 HB2 PRO A 88 -11.053 4.591 3.417 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.474 4.513 2.659 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.550 2.881 4.958 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.447 2.393 3.687 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.636 3.125 6.265 1.00 0.30 H new ATOM 0 HD3 PRO A 88 -7.580 3.133 4.866 1.00 0.30 H new ATOM 1402 N GLY A 89 -11.306 7.165 4.897 1.00 -0.73 N ATOM 1403 CA GLY A 89 -12.369 7.863 5.610 1.00 0.36 C ATOM 1404 C GLY A 89 -12.552 9.284 5.088 1.00 0.57 C ATOM 1405 O GLY A 89 -12.690 10.204 5.901 1.00 -0.57 O ATOM 0 H GLY A 89 -11.154 7.511 3.950 1.00 -0.73 H new ATOM 0 HA2 GLY A 89 -13.303 7.312 5.503 1.00 0.36 H new ATOM 0 HA3 GLY A 89 -12.136 7.892 6.674 1.00 0.36 H new ATOM 1409 N THR A 90 -12.516 9.431 3.750 1.00 -0.73 N ATOM 1410 CA THR A 90 -12.598 10.688 2.997 1.00 0.36 C ATOM 1411 C THR A 90 -11.402 11.627 3.281 1.00 0.57 C ATOM 1412 O THR A 90 -10.679 11.484 4.269 1.00 -0.57 O ATOM 1413 CB THR A 90 -14.008 11.289 3.229 1.00 0.28 C ATOM 1414 OG1 THR A 90 -14.973 10.369 2.751 1.00 -0.68 O ATOM 1415 CG2 THR A 90 -14.295 12.632 2.554 1.00 0.00 C ATOM 0 H THR A 90 -12.423 8.624 3.133 1.00 -0.73 H new ATOM 0 HA THR A 90 -12.496 10.513 1.926 1.00 0.36 H new ATOM 0 HB THR A 90 -14.055 11.474 4.302 1.00 0.28 H new ATOM 0 HG1 THR A 90 -15.871 10.734 2.892 1.00 -0.68 H new ATOM 0 HG21 THR A 90 -15.311 12.948 2.790 1.00 0.00 H new ATOM 0 HG22 THR A 90 -13.589 13.379 2.916 1.00 0.00 H new ATOM 0 HG23 THR A 90 -14.190 12.526 1.474 1.00 0.00 H new ATOM 1423 N GLY A 91 -11.166 12.596 2.386 1.00 -0.73 N ATOM 1424 CA GLY A 91 -10.169 13.637 2.607 1.00 0.36 C ATOM 1425 C GLY A 91 -8.757 13.076 2.464 1.00 0.57 C ATOM 1426 O GLY A 91 -8.528 12.244 1.584 1.00 -0.57 O ATOM 0 H GLY A 91 -11.660 12.675 1.497 1.00 -0.73 H new ATOM 0 HA2 GLY A 91 -10.317 14.446 1.892 1.00 0.36 H new ATOM 0 HA3 GLY A 91 -10.297 14.063 3.602 1.00 0.36 H new ATOM 1430 N LEU A 92 -7.826 13.511 3.328 1.00 -0.73 N ATOM 1431 CA LEU A 92 -6.475 12.935 3.420 1.00 0.36 C ATOM 1432 C LEU A 92 -6.524 11.419 3.698 1.00 0.57 C ATOM 1433 O LEU A 92 -5.584 10.697 3.374 1.00 -0.57 O ATOM 1434 CB LEU A 92 -5.642 13.646 4.509 1.00 0.00 C ATOM 1435 CG LEU A 92 -4.125 13.318 4.451 1.00 0.00 C ATOM 1436 CD1 LEU A 92 -3.378 14.209 3.450 1.00 0.00 C ATOM 1437 CD2 LEU A 92 -3.480 13.436 5.837 1.00 0.00 C ATOM 0 H LEU A 92 -7.990 14.274 3.984 1.00 -0.73 H new ATOM 0 HA LEU A 92 -5.993 13.089 2.454 1.00 0.36 H new ATOM 0 HB2 LEU A 92 -5.775 14.723 4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.028 13.366 5.489 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.043 12.287 4.108 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.321 13.943 3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.794 14.064 2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.488 15.254 3.741 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.418 13.201 5.765 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.602 14.453 6.210 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.961 12.738 6.523 1.00 0.00 H new ATOM 1449 N GLY A 93 -7.616 10.909 4.285 1.00 -0.73 N ATOM 1450 CA GLY A 93 -7.754 9.489 4.535 1.00 0.36 C ATOM 1451 C GLY A 93 -7.515 8.683 3.255 1.00 0.57 C ATOM 1452 O GLY A 93 -7.925 9.090 2.164 1.00 -0.57 O ATOM 0 H GLY A 93 -8.411 11.469 4.592 1.00 -0.73 H new ATOM 0 HA2 GLY A 93 -7.044 9.180 5.302 1.00 0.36 H new ATOM 0 HA3 GLY A 93 -8.751 9.279 4.921 1.00 0.36 H new ATOM 1456 N GLY A 94 -6.815 7.559 3.399 1.00 -0.73 N ATOM 1457 CA GLY A 94 -6.476 6.634 2.329 1.00 0.36 C ATOM 1458 C GLY A 94 -5.226 7.038 1.557 1.00 0.57 C ATOM 1459 O GLY A 94 -4.637 6.192 0.884 1.00 -0.57 O ATOM 0 H GLY A 94 -6.455 7.259 4.305 1.00 -0.73 H new ATOM 0 HA2 GLY A 94 -6.329 5.640 2.751 1.00 0.36 H new ATOM 0 HA3 GLY A 94 -7.316 6.566 1.637 1.00 0.36 H new ATOM 1463 N ASP A 95 -4.809 8.306 1.619 1.00 -0.73 N ATOM 1464 CA ASP A 95 -3.717 8.774 0.775 1.00 0.36 C ATOM 1465 C ASP A 95 -2.407 8.176 1.290 1.00 0.57 C ATOM 1466 O ASP A 95 -2.298 7.768 2.453 1.00 -0.57 O ATOM 1467 CB ASP A 95 -3.737 10.315 0.704 1.00 0.06 C ATOM 1468 CG ASP A 95 -5.073 10.784 0.109 1.00 0.66 C ATOM 1469 OD1 ASP A 95 -5.555 10.168 -0.827 1.00 -0.57 O ATOM 1470 OD2 ASP A 95 -5.762 11.786 0.648 1.00 -0.65 O ATOM 0 H ASP A 95 -5.207 9.014 2.236 1.00 -0.73 H new ATOM 0 HA ASP A 95 -3.829 8.435 -0.255 1.00 0.36 H new ATOM 0 HB2 ASP A 95 -3.602 10.737 1.700 1.00 0.06 H new ATOM 0 HB3 ASP A 95 -2.909 10.672 0.092 1.00 0.06 H new ATOM 1476 N ALA A 96 -1.422 8.079 0.396 1.00 -0.73 N ATOM 1477 CA ALA A 96 -0.174 7.388 0.658 1.00 0.36 C ATOM 1478 C ALA A 96 0.977 8.165 0.044 1.00 0.57 C ATOM 1479 O ALA A 96 0.859 8.777 -1.021 1.00 -0.57 O ATOM 1480 CB ALA A 96 -0.229 5.958 0.109 1.00 0.00 C ATOM 0 H ALA A 96 -1.476 8.485 -0.538 1.00 -0.73 H new ATOM 0 HA ALA A 96 -0.016 7.325 1.735 1.00 0.36 H new ATOM 0 HB1 ALA A 96 0.715 5.453 0.314 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.043 5.415 0.590 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.399 5.988 -0.967 1.00 0.00 H new ATOM 1486 N HIS A 97 2.114 8.119 0.729 1.00 -0.73 N ATOM 1487 CA HIS A 97 3.267 8.932 0.433 1.00 0.36 C ATOM 1488 C HIS A 97 4.512 8.066 0.557 1.00 0.57 C ATOM 1489 O HIS A 97 4.580 7.176 1.399 1.00 -0.57 O ATOM 1490 CB HIS A 97 3.319 10.111 1.408 1.00 0.17 C ATOM 1491 CG HIS A 97 2.584 11.379 1.030 1.00 0.18 C ATOM 1492 ND1 HIS A 97 2.479 12.470 1.874 1.00 -0.70 N ATOM 1493 CD2 HIS A 97 1.922 11.680 -0.136 1.00 0.20 C ATOM 1494 CE1 HIS A 97 1.756 13.406 1.227 1.00 0.65 C ATOM 1495 NE2 HIS A 97 1.411 12.959 0.008 1.00 -0.70 N ATOM 0 H HIS A 97 2.254 7.496 1.524 1.00 -0.73 H new ATOM 0 HA HIS A 97 3.210 9.330 -0.580 1.00 0.36 H new ATOM 0 HB2 HIS A 97 2.926 9.770 2.366 1.00 0.17 H new ATOM 0 HB3 HIS A 97 4.367 10.367 1.567 1.00 0.17 H new ATOM 0 HD2 HIS A 97 1.820 11.041 -1.000 1.00 0.20 H new ATOM 0 HE1 HIS A 97 1.493 14.373 1.629 1.00 0.65 H new ATOM 0 HE2 HIS A 97 0.869 13.471 -0.688 1.00 -0.70 H new ATOM 1504 N PHE A 98 5.515 8.360 -0.267 1.00 -0.73 N ATOM 1505 CA PHE A 98 6.696 7.530 -0.448 1.00 0.36 C ATOM 1506 C PHE A 98 7.925 8.443 -0.510 1.00 0.57 C ATOM 1507 O PHE A 98 7.836 9.575 -0.994 1.00 -0.57 O ATOM 1508 CB PHE A 98 6.541 6.756 -1.763 1.00 0.14 C ATOM 1509 CG PHE A 98 5.412 5.734 -1.833 1.00 -0.14 C ATOM 1510 CD1 PHE A 98 4.070 6.157 -1.956 1.00 -0.15 C ATOM 1511 CD2 PHE A 98 5.701 4.354 -1.821 1.00 -0.15 C ATOM 1512 CE1 PHE A 98 3.030 5.218 -1.998 1.00 -0.15 C ATOM 1513 CE2 PHE A 98 4.660 3.415 -1.923 1.00 -0.15 C ATOM 1514 CZ PHE A 98 3.324 3.847 -2.009 1.00 -0.15 C ATOM 0 H PHE A 98 5.526 9.204 -0.840 1.00 -0.73 H new ATOM 0 HA PHE A 98 6.814 6.826 0.375 1.00 0.36 H new ATOM 0 HB2 PHE A 98 6.395 7.478 -2.566 1.00 0.14 H new ATOM 0 HB3 PHE A 98 7.479 6.239 -1.965 1.00 0.14 H new ATOM 0 HD1 PHE A 98 3.844 7.211 -2.018 1.00 -0.15 H new ATOM 0 HD2 PHE A 98 6.724 4.018 -1.733 1.00 -0.15 H new ATOM 0 HE1 PHE A 98 2.003 5.550 -2.022 1.00 -0.15 H new ATOM 0 HE2 PHE A 98 4.886 2.359 -1.935 1.00 -0.15 H new ATOM 0 HZ PHE A 98 2.526 3.123 -2.083 1.00 -0.15 H new ATOM 1524 N ASP A 99 9.072 7.957 -0.040 1.00 -0.73 N ATOM 1525 CA ASP A 99 10.313 8.721 -0.059 1.00 0.36 C ATOM 1526 C ASP A 99 11.065 8.309 -1.339 1.00 0.57 C ATOM 1527 O ASP A 99 11.633 7.222 -1.407 1.00 -0.57 O ATOM 1528 CB ASP A 99 11.072 8.440 1.252 1.00 0.06 C ATOM 1529 CG ASP A 99 11.914 9.590 1.819 1.00 0.66 C ATOM 1530 OD1 ASP A 99 12.309 9.432 2.962 1.00 -0.57 O ATOM 1531 OD2 ASP A 99 12.118 10.688 1.096 1.00 -0.65 O ATOM 0 H ASP A 99 9.165 7.025 0.363 1.00 -0.73 H new ATOM 0 HA ASP A 99 10.170 9.801 -0.096 1.00 0.36 H new ATOM 0 HB2 ASP A 99 10.346 8.144 2.009 1.00 0.06 H new ATOM 0 HB3 ASP A 99 11.729 7.585 1.089 1.00 0.06 H new ATOM 1537 N GLU A 100 11.011 9.117 -2.404 1.00 -0.73 N ATOM 1538 CA GLU A 100 11.740 8.912 -3.667 1.00 0.36 C ATOM 1539 C GLU A 100 13.256 8.875 -3.441 1.00 0.57 C ATOM 1540 O GLU A 100 13.970 8.276 -4.239 1.00 -0.57 O ATOM 1541 CB GLU A 100 11.350 10.004 -4.688 1.00 0.00 C ATOM 1542 CG GLU A 100 12.071 9.955 -6.061 1.00 0.06 C ATOM 1543 CD GLU A 100 13.404 10.740 -6.152 1.00 0.66 C ATOM 1544 OE1 GLU A 100 13.474 11.814 -5.577 1.00 -0.57 O ATOM 1545 OE2 GLU A 100 14.372 10.288 -6.944 1.00 -0.65 O ATOM 0 H GLU A 100 10.439 9.962 -2.413 1.00 -0.73 H new ATOM 0 HA GLU A 100 11.455 7.942 -4.073 1.00 0.36 H new ATOM 0 HB2 GLU A 100 10.276 9.939 -4.864 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.541 10.978 -4.237 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.268 8.912 -6.310 1.00 0.06 H new ATOM 0 HG3 GLU A 100 11.391 10.341 -6.821 1.00 0.06 H new ATOM 1553 N ASP A 101 13.745 9.472 -2.345 1.00 -0.73 N ATOM 1554 CA ASP A 101 15.155 9.407 -1.949 1.00 0.36 C ATOM 1555 C ASP A 101 15.593 7.956 -1.701 1.00 0.57 C ATOM 1556 O ASP A 101 16.763 7.609 -1.869 1.00 -0.57 O ATOM 1557 CB ASP A 101 15.376 10.231 -0.663 1.00 0.06 C ATOM 1558 CG ASP A 101 16.755 10.914 -0.533 1.00 0.66 C ATOM 1559 OD1 ASP A 101 16.849 11.810 0.290 1.00 -0.57 O ATOM 1560 OD2 ASP A 101 17.760 10.502 -1.300 1.00 -0.65 O ATOM 0 H ASP A 101 13.167 10.017 -1.705 1.00 -0.73 H new ATOM 0 HA ASP A 101 15.753 9.818 -2.762 1.00 0.36 H new ATOM 0 HB2 ASP A 101 14.604 10.999 -0.609 1.00 0.06 H new ATOM 0 HB3 ASP A 101 15.234 9.575 0.196 1.00 0.06 H new ATOM 1566 N GLU A 102 14.651 7.097 -1.287 1.00 -0.73 N ATOM 1567 CA GLU A 102 14.928 5.687 -1.060 1.00 0.36 C ATOM 1568 C GLU A 102 14.887 4.973 -2.403 1.00 0.57 C ATOM 1569 O GLU A 102 13.948 5.133 -3.172 1.00 -0.57 O ATOM 1570 CB GLU A 102 13.927 5.092 -0.063 1.00 0.00 C ATOM 1571 CG GLU A 102 14.112 5.762 1.309 1.00 0.06 C ATOM 1572 CD GLU A 102 14.610 4.861 2.425 1.00 0.66 C ATOM 1573 OE1 GLU A 102 14.308 5.233 3.547 1.00 -0.57 O ATOM 1574 OE2 GLU A 102 15.391 3.821 2.147 1.00 -0.65 O ATOM 0 H GLU A 102 13.684 7.366 -1.103 1.00 -0.73 H new ATOM 0 HA GLU A 102 15.917 5.560 -0.619 1.00 0.36 H new ATOM 0 HB2 GLU A 102 12.908 5.244 -0.420 1.00 0.00 H new ATOM 0 HB3 GLU A 102 14.078 4.016 0.022 1.00 0.00 H new ATOM 0 HG2 GLU A 102 14.813 6.589 1.196 1.00 0.06 H new ATOM 0 HG3 GLU A 102 13.158 6.192 1.614 1.00 0.06 H new ATOM 1582 N ARG A 103 15.927 4.194 -2.692 1.00 -0.73 N ATOM 1583 CA ARG A 103 16.115 3.554 -3.990 1.00 0.36 C ATOM 1584 C ARG A 103 15.010 2.542 -4.289 1.00 0.57 C ATOM 1585 O ARG A 103 14.966 1.482 -3.657 1.00 -0.57 O ATOM 1586 CB ARG A 103 17.495 2.900 -4.009 1.00 0.00 C ATOM 1587 CG ARG A 103 17.903 2.415 -5.411 1.00 0.00 C ATOM 1588 CD ARG A 103 19.407 2.651 -5.552 1.00 0.33 C ATOM 1589 NE ARG A 103 20.012 1.998 -6.726 1.00 -0.84 N ATOM 1590 CZ ARG A 103 21.288 2.198 -7.100 1.00 1.20 C ATOM 1591 NH1 ARG A 103 22.005 3.173 -6.528 1.00 -0.97 N ATOM 1592 NH2 ARG A 103 21.878 1.439 -8.024 1.00 -0.97 N ATOM 0 H ARG A 103 16.670 3.988 -2.024 1.00 -0.73 H new ATOM 0 HA ARG A 103 16.055 4.307 -4.776 1.00 0.36 H new ATOM 0 HB2 ARG A 103 18.235 3.613 -3.646 1.00 0.00 H new ATOM 0 HB3 ARG A 103 17.502 2.055 -3.321 1.00 0.00 H new ATOM 0 HG2 ARG A 103 17.666 1.358 -5.537 1.00 0.00 H new ATOM 0 HG3 ARG A 103 17.355 2.958 -6.181 1.00 0.00 H new ATOM 0 HD2 ARG A 103 19.591 3.724 -5.611 1.00 0.33 H new ATOM 0 HD3 ARG A 103 19.906 2.291 -4.652 1.00 0.33 H new ATOM 0 HE ARG A 103 19.436 1.365 -7.281 1.00 -0.84 H new ATOM 0 HH11 ARG A 103 21.583 3.762 -5.810 1.00 -0.97 H new ATOM 0 HH12 ARG A 103 22.973 3.327 -6.810 1.00 -0.97 H new ATOM 0 HH21 ARG A 103 21.360 0.681 -8.469 1.00 -0.97 H new ATOM 0 HH22 ARG A 103 22.848 1.616 -8.286 1.00 -0.97 H new ATOM 1606 N TRP A 104 14.163 2.821 -5.277 1.00 -0.73 N ATOM 1607 CA TRP A 104 13.028 1.965 -5.596 1.00 0.36 C ATOM 1608 C TRP A 104 13.411 1.012 -6.736 1.00 0.57 C ATOM 1609 O TRP A 104 14.195 1.362 -7.616 1.00 -0.57 O ATOM 1610 CB TRP A 104 11.793 2.832 -5.902 1.00 0.18 C ATOM 1611 CG TRP A 104 11.265 3.630 -4.745 1.00 -0.18 C ATOM 1612 CD1 TRP A 104 11.418 4.955 -4.519 1.00 -0.30 C ATOM 1613 CD2 TRP A 104 10.598 3.118 -3.552 1.00 0.00 C ATOM 1614 NE1 TRP A 104 10.911 5.285 -3.275 1.00 0.03 N ATOM 1615 CE2 TRP A 104 10.391 4.189 -2.634 1.00 -0.15 C ATOM 1616 CE3 TRP A 104 10.229 1.830 -3.129 1.00 -0.15 C ATOM 1617 CZ2 TRP A 104 9.840 3.995 -1.357 1.00 -0.15 C ATOM 1618 CZ3 TRP A 104 9.689 1.628 -1.850 1.00 -0.15 C ATOM 1619 CH2 TRP A 104 9.484 2.698 -0.962 1.00 -0.15 C ATOM 0 H TRP A 104 14.245 3.643 -5.875 1.00 -0.73 H new ATOM 0 HA TRP A 104 12.761 1.340 -4.744 1.00 0.36 H new ATOM 0 HB2 TRP A 104 12.043 3.518 -6.711 1.00 0.18 H new ATOM 0 HB3 TRP A 104 10.997 2.184 -6.268 1.00 0.18 H new ATOM 0 HD1 TRP A 104 11.870 5.653 -5.209 1.00 -0.30 H new ATOM 0 HE1 TRP A 104 10.922 6.227 -2.883 1.00 0.03 H new ATOM 0 HE3 TRP A 104 10.362 0.989 -3.793 1.00 -0.15 H new ATOM 0 HZ2 TRP A 104 9.693 4.832 -0.690 1.00 -0.15 H new ATOM 0 HZ3 TRP A 104 9.425 0.628 -1.541 1.00 -0.15 H new ATOM 0 HH2 TRP A 104 9.057 2.523 0.014 1.00 -0.15 H new ATOM 1630 N THR A 105 12.870 -0.209 -6.737 1.00 -0.73 N ATOM 1631 CA THR A 105 13.106 -1.186 -7.798 1.00 0.36 C ATOM 1632 C THR A 105 11.842 -2.028 -7.969 1.00 0.57 C ATOM 1633 O THR A 105 11.148 -2.306 -6.991 1.00 -0.57 O ATOM 1634 CB THR A 105 14.368 -2.020 -7.466 1.00 0.28 C ATOM 1635 OG1 THR A 105 14.843 -2.704 -8.607 1.00 -0.68 O ATOM 1636 CG2 THR A 105 14.175 -3.014 -6.308 1.00 0.00 C ATOM 0 H THR A 105 12.254 -0.547 -5.998 1.00 -0.73 H new ATOM 0 HA THR A 105 13.306 -0.701 -8.753 1.00 0.36 H new ATOM 0 HB THR A 105 15.110 -1.293 -7.135 1.00 0.28 H new ATOM 0 HG1 THR A 105 15.641 -3.221 -8.370 1.00 -0.68 H new ATOM 0 HG21 THR A 105 15.103 -3.559 -6.138 1.00 0.00 H new ATOM 0 HG22 THR A 105 13.902 -2.470 -5.403 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.382 -3.718 -6.561 1.00 0.00 H new ATOM 1644 N ASP A 106 11.532 -2.435 -9.200 1.00 -0.73 N ATOM 1645 CA ASP A 106 10.349 -3.243 -9.500 1.00 0.36 C ATOM 1646 C ASP A 106 10.469 -4.618 -8.840 1.00 0.57 C ATOM 1647 O ASP A 106 9.492 -5.165 -8.329 1.00 -0.57 O ATOM 1648 CB ASP A 106 10.204 -3.460 -11.021 1.00 0.06 C ATOM 1649 CG ASP A 106 10.195 -2.205 -11.898 1.00 0.66 C ATOM 1650 OD1 ASP A 106 10.397 -1.120 -11.378 1.00 -0.57 O ATOM 1651 OD2 ASP A 106 9.991 -2.407 -13.197 1.00 -0.65 O ATOM 0 H ASP A 106 12.096 -2.213 -10.020 1.00 -0.73 H new ATOM 0 HA ASP A 106 9.480 -2.709 -9.117 1.00 0.36 H new ATOM 0 HB2 ASP A 106 11.021 -4.101 -11.353 1.00 0.06 H new ATOM 0 HB3 ASP A 106 9.278 -4.006 -11.200 1.00 0.06 H new ATOM 1657 N GLY A 107 11.689 -5.166 -8.878 1.00 -0.73 N ATOM 1658 CA GLY A 107 11.995 -6.526 -8.487 1.00 0.36 C ATOM 1659 C GLY A 107 13.078 -7.068 -9.411 1.00 0.57 C ATOM 1660 O GLY A 107 12.748 -7.724 -10.393 1.00 -0.57 O ATOM 0 H GLY A 107 12.510 -4.649 -9.194 1.00 -0.73 H new ATOM 0 HA2 GLY A 107 12.333 -6.554 -7.451 1.00 0.36 H new ATOM 0 HA3 GLY A 107 11.101 -7.147 -8.548 1.00 0.36 H new ATOM 1664 N SER A 108 14.352 -6.781 -9.112 1.00 -0.73 N ATOM 1665 CA SER A 108 15.489 -7.271 -9.894 1.00 0.36 C ATOM 1666 C SER A 108 16.375 -8.158 -9.010 1.00 0.57 C ATOM 1667 O SER A 108 16.445 -9.358 -9.264 1.00 -0.57 O ATOM 1668 CB SER A 108 16.224 -6.081 -10.538 1.00 0.28 C ATOM 1669 OG SER A 108 17.248 -6.507 -11.420 1.00 -0.68 O ATOM 0 H SER A 108 14.621 -6.200 -8.318 1.00 -0.73 H new ATOM 0 HA SER A 108 15.157 -7.902 -10.719 1.00 0.36 H new ATOM 0 HB2 SER A 108 15.509 -5.464 -11.083 1.00 0.28 H new ATOM 0 HB3 SER A 108 16.655 -5.455 -9.757 1.00 0.28 H new ATOM 0 HG SER A 108 17.690 -5.724 -11.810 1.00 -0.68 H new ATOM 1675 N SER A 109 16.962 -7.598 -7.939 1.00 -0.73 N ATOM 1676 CA SER A 109 17.739 -8.329 -6.930 1.00 0.36 C ATOM 1677 C SER A 109 17.937 -7.471 -5.670 1.00 0.57 C ATOM 1678 O SER A 109 17.755 -7.966 -4.561 1.00 -0.57 O ATOM 1679 CB SER A 109 19.128 -8.705 -7.487 1.00 0.28 C ATOM 1680 OG SER A 109 19.134 -9.978 -8.103 1.00 -0.68 O ATOM 0 H SER A 109 16.906 -6.598 -7.748 1.00 -0.73 H new ATOM 0 HA SER A 109 17.183 -9.232 -6.676 1.00 0.36 H new ATOM 0 HB2 SER A 109 19.442 -7.953 -8.210 1.00 0.28 H new ATOM 0 HB3 SER A 109 19.857 -8.693 -6.677 1.00 0.28 H new ATOM 0 HG SER A 109 18.312 -10.093 -8.624 1.00 -0.68 H new ATOM 1686 N LEU A 110 18.300 -6.187 -5.834 1.00 -0.73 N ATOM 1687 CA LEU A 110 18.672 -5.284 -4.746 1.00 0.36 C ATOM 1688 C LEU A 110 18.029 -3.915 -4.978 1.00 0.57 C ATOM 1689 O LEU A 110 17.961 -3.422 -6.112 1.00 -0.57 O ATOM 1690 CB LEU A 110 20.198 -5.094 -4.701 1.00 0.00 C ATOM 1691 CG LEU A 110 21.013 -6.305 -4.199 1.00 0.00 C ATOM 1692 CD1 LEU A 110 22.357 -6.365 -4.936 1.00 0.00 C ATOM 1693 CD2 LEU A 110 21.268 -6.217 -2.686 1.00 0.00 C ATOM 0 H LEU A 110 18.342 -5.744 -6.752 1.00 -0.73 H new ATOM 0 HA LEU A 110 18.328 -5.718 -3.807 1.00 0.36 H new ATOM 0 HB2 LEU A 110 20.543 -4.839 -5.703 1.00 0.00 H new ATOM 0 HB3 LEU A 110 20.420 -4.240 -4.060 1.00 0.00 H new ATOM 0 HG LEU A 110 20.435 -7.207 -4.400 1.00 0.00 H new ATOM 0 HD11 LEU A 110 22.930 -7.221 -4.579 1.00 0.00 H new ATOM 0 HD12 LEU A 110 22.181 -6.467 -6.007 1.00 0.00 H new ATOM 0 HD13 LEU A 110 22.917 -5.449 -4.746 1.00 0.00 H new ATOM 0 HD21 LEU A 110 21.844 -7.084 -2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 110 21.826 -5.307 -2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 110 20.315 -6.197 -2.157 1.00 0.00 H new ATOM 1705 N GLY A 111 17.610 -3.301 -3.871 1.00 -0.73 N ATOM 1706 CA GLY A 111 16.835 -2.074 -3.826 1.00 0.36 C ATOM 1707 C GLY A 111 15.610 -2.297 -2.944 1.00 0.57 C ATOM 1708 O GLY A 111 15.465 -3.342 -2.292 1.00 -0.57 O ATOM 0 H GLY A 111 17.815 -3.668 -2.941 1.00 -0.73 H new ATOM 0 HA2 GLY A 111 17.441 -1.259 -3.430 1.00 0.36 H new ATOM 0 HA3 GLY A 111 16.528 -1.784 -4.831 1.00 0.36 H new ATOM 1712 N ILE A 112 14.715 -1.310 -2.918 1.00 -0.73 N ATOM 1713 CA ILE A 112 13.480 -1.377 -2.159 1.00 0.36 C ATOM 1714 C ILE A 112 12.371 -1.732 -3.156 1.00 0.57 C ATOM 1715 O ILE A 112 12.113 -0.977 -4.096 1.00 -0.57 O ATOM 1716 CB ILE A 112 13.259 -0.031 -1.436 1.00 0.00 C ATOM 1717 CG1 ILE A 112 14.489 0.462 -0.627 1.00 0.00 C ATOM 1718 CG2 ILE A 112 12.037 -0.139 -0.525 1.00 0.00 C ATOM 1719 CD1 ILE A 112 15.053 -0.507 0.425 1.00 0.00 C ATOM 0 H ILE A 112 14.834 -0.436 -3.430 1.00 -0.73 H new ATOM 0 HA ILE A 112 13.497 -2.137 -1.378 1.00 0.36 H new ATOM 0 HB ILE A 112 13.097 0.717 -2.212 1.00 0.00 H new ATOM 0 HG12 ILE A 112 15.286 0.703 -1.331 1.00 0.00 H new ATOM 0 HG13 ILE A 112 14.217 1.390 -0.124 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.879 0.811 -0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.158 -0.380 -1.123 1.00 0.00 H new ATOM 0 HG23 ILE A 112 12.201 -0.925 0.212 1.00 0.00 H new ATOM 0 HD11 ILE A 112 15.908 -0.048 0.921 1.00 0.00 H new ATOM 0 HD12 ILE A 112 14.283 -0.731 1.163 1.00 0.00 H new ATOM 0 HD13 ILE A 112 15.368 -1.430 -0.062 1.00 0.00 H new ATOM 1731 N ASN A 113 11.757 -2.912 -2.986 1.00 -0.73 N ATOM 1732 CA ASN A 113 10.750 -3.425 -3.910 1.00 0.36 C ATOM 1733 C ASN A 113 9.517 -2.511 -3.905 1.00 0.57 C ATOM 1734 O ASN A 113 8.805 -2.415 -2.902 1.00 -0.57 O ATOM 1735 CB ASN A 113 10.387 -4.880 -3.570 1.00 0.06 C ATOM 1736 CG ASN A 113 9.445 -5.496 -4.609 1.00 0.57 C ATOM 1737 OD1 ASN A 113 8.547 -4.844 -5.108 1.00 -0.57 O ATOM 1738 ND2 ASN A 113 9.580 -6.762 -4.952 1.00 -0.80 N ATOM 0 H ASN A 113 11.949 -3.534 -2.201 1.00 -0.73 H new ATOM 0 HA ASN A 113 11.162 -3.426 -4.919 1.00 0.36 H new ATOM 0 HB2 ASN A 113 11.298 -5.476 -3.509 1.00 0.06 H new ATOM 0 HB3 ASN A 113 9.916 -4.916 -2.588 1.00 0.06 H new ATOM 0 HD21 ASN A 113 8.937 -7.179 -5.625 1.00 -0.80 H new ATOM 0 HD22 ASN A 113 10.327 -7.324 -4.544 1.00 -0.80 H new ATOM 1745 N PHE A 114 9.250 -1.869 -5.043 1.00 -0.73 N ATOM 1746 CA PHE A 114 8.101 -1.005 -5.251 1.00 0.36 C ATOM 1747 C PHE A 114 6.792 -1.787 -5.206 1.00 0.57 C ATOM 1748 O PHE A 114 5.837 -1.306 -4.612 1.00 -0.57 O ATOM 1749 CB PHE A 114 8.240 -0.296 -6.604 1.00 0.14 C ATOM 1750 CG PHE A 114 7.113 0.681 -6.909 1.00 -0.14 C ATOM 1751 CD1 PHE A 114 5.839 0.216 -7.297 1.00 -0.15 C ATOM 1752 CD2 PHE A 114 7.330 2.064 -6.775 1.00 -0.15 C ATOM 1753 CE1 PHE A 114 4.786 1.117 -7.523 1.00 -0.15 C ATOM 1754 CE2 PHE A 114 6.282 2.967 -7.022 1.00 -0.15 C ATOM 1755 CZ PHE A 114 5.006 2.494 -7.372 1.00 -0.15 C ATOM 0 H PHE A 114 9.848 -1.942 -5.866 1.00 -0.73 H new ATOM 0 HA PHE A 114 8.074 -0.272 -4.445 1.00 0.36 H new ATOM 0 HB2 PHE A 114 9.188 0.241 -6.626 1.00 0.14 H new ATOM 0 HB3 PHE A 114 8.280 -1.046 -7.394 1.00 0.14 H new ATOM 0 HD1 PHE A 114 5.672 -0.844 -7.421 1.00 -0.15 H new ATOM 0 HD2 PHE A 114 8.302 2.432 -6.482 1.00 -0.15 H new ATOM 0 HE1 PHE A 114 3.812 0.752 -7.812 1.00 -0.15 H new ATOM 0 HE2 PHE A 114 6.458 4.030 -6.942 1.00 -0.15 H new ATOM 0 HZ PHE A 114 4.195 3.191 -7.525 1.00 -0.15 H new ATOM 1765 N LEU A 115 6.714 -2.968 -5.828 1.00 -0.73 N ATOM 1766 CA LEU A 115 5.508 -3.797 -5.866 1.00 0.36 C ATOM 1767 C LEU A 115 5.083 -4.150 -4.438 1.00 0.57 C ATOM 1768 O LEU A 115 3.899 -4.052 -4.107 1.00 -0.57 O ATOM 1769 CB LEU A 115 5.794 -5.057 -6.719 1.00 0.00 C ATOM 1770 CG LEU A 115 4.893 -5.197 -7.961 1.00 0.00 C ATOM 1771 CD1 LEU A 115 5.643 -5.952 -9.070 1.00 0.00 C ATOM 1772 CD2 LEU A 115 3.588 -5.940 -7.665 1.00 0.00 C ATOM 0 H LEU A 115 7.502 -3.381 -6.327 1.00 -0.73 H new ATOM 0 HA LEU A 115 4.681 -3.256 -6.327 1.00 0.36 H new ATOM 0 HB2 LEU A 115 6.835 -5.036 -7.040 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.671 -5.941 -6.093 1.00 0.00 H new ATOM 0 HG LEU A 115 4.642 -4.185 -8.279 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.000 -6.047 -9.945 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.544 -5.401 -9.340 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.918 -6.944 -8.713 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.994 -6.009 -8.576 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.814 -6.943 -7.303 1.00 0.00 H new ATOM 0 HD23 LEU A 115 3.025 -5.398 -6.905 1.00 0.00 H new ATOM 1784 N TYR A 116 6.053 -4.500 -3.584 1.00 -0.73 N ATOM 1785 CA TYR A 116 5.834 -4.750 -2.163 1.00 0.36 C ATOM 1786 C TYR A 116 5.414 -3.466 -1.444 1.00 0.57 C ATOM 1787 O TYR A 116 4.418 -3.469 -0.725 1.00 -0.57 O ATOM 1788 CB TYR A 116 7.120 -5.309 -1.543 1.00 0.14 C ATOM 1789 CG TYR A 116 7.032 -5.646 -0.067 1.00 -0.14 C ATOM 1790 CD1 TYR A 116 6.564 -6.909 0.333 1.00 -0.15 C ATOM 1791 CD2 TYR A 116 7.462 -4.718 0.903 1.00 -0.15 C ATOM 1792 CE1 TYR A 116 6.576 -7.269 1.693 1.00 -0.15 C ATOM 1793 CE2 TYR A 116 7.464 -5.065 2.268 1.00 -0.15 C ATOM 1794 CZ TYR A 116 7.038 -6.354 2.666 1.00 0.08 C ATOM 1795 OH TYR A 116 7.098 -6.735 3.973 1.00 -0.53 O ATOM 0 H TYR A 116 7.025 -4.618 -3.870 1.00 -0.73 H new ATOM 0 HA TYR A 116 5.030 -5.477 -2.051 1.00 0.36 H new ATOM 0 HB2 TYR A 116 7.406 -6.208 -2.088 1.00 0.14 H new ATOM 0 HB3 TYR A 116 7.919 -4.582 -1.686 1.00 0.14 H new ATOM 0 HD1 TYR A 116 6.194 -7.605 -0.405 1.00 -0.15 H new ATOM 0 HD2 TYR A 116 7.792 -3.736 0.598 1.00 -0.15 H new ATOM 0 HE1 TYR A 116 6.231 -8.247 1.994 1.00 -0.15 H new ATOM 0 HE2 TYR A 116 7.790 -4.349 3.008 1.00 -0.15 H new ATOM 0 HH TYR A 116 6.203 -6.689 4.369 1.00 -0.53 H new ATOM 1805 N ALA A 117 6.148 -2.366 -1.643 1.00 -0.73 N ATOM 1806 CA ALA A 117 5.876 -1.109 -0.956 1.00 0.36 C ATOM 1807 C ALA A 117 4.507 -0.554 -1.318 1.00 0.57 C ATOM 1808 O ALA A 117 3.738 -0.185 -0.438 1.00 -0.57 O ATOM 1809 CB ALA A 117 6.948 -0.103 -1.337 1.00 0.00 C ATOM 0 H ALA A 117 6.942 -2.327 -2.282 1.00 -0.73 H new ATOM 0 HA ALA A 117 5.885 -1.294 0.118 1.00 0.36 H new ATOM 0 HB1 ALA A 117 6.756 0.843 -0.830 1.00 0.00 H new ATOM 0 HB2 ALA A 117 7.925 -0.483 -1.040 1.00 0.00 H new ATOM 0 HB3 ALA A 117 6.933 0.054 -2.415 1.00 0.00 H new ATOM 1815 N ALA A 118 4.180 -0.527 -2.611 1.00 -0.73 N ATOM 1816 CA ALA A 118 2.881 -0.117 -3.088 1.00 0.36 C ATOM 1817 C ALA A 118 1.828 -1.030 -2.474 1.00 0.57 C ATOM 1818 O ALA A 118 0.905 -0.511 -1.863 1.00 -0.57 O ATOM 1819 CB ALA A 118 2.861 -0.118 -4.618 1.00 0.00 C ATOM 0 H ALA A 118 4.824 -0.794 -3.355 1.00 -0.73 H new ATOM 0 HA ALA A 118 2.655 0.904 -2.781 1.00 0.36 H new ATOM 0 HB1 ALA A 118 1.877 0.193 -4.969 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.615 0.574 -4.992 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.077 -1.122 -4.984 1.00 0.00 H new ATOM 1825 N THR A 119 1.987 -2.361 -2.538 1.00 -0.73 N ATOM 1826 CA THR A 119 1.053 -3.303 -1.912 1.00 0.36 C ATOM 1827 C THR A 119 0.854 -2.985 -0.423 1.00 0.57 C ATOM 1828 O THR A 119 -0.289 -2.949 0.032 1.00 -0.57 O ATOM 1829 CB THR A 119 1.547 -4.750 -2.112 1.00 0.28 C ATOM 1830 OG1 THR A 119 1.654 -5.008 -3.495 1.00 -0.68 O ATOM 1831 CG2 THR A 119 0.636 -5.823 -1.497 1.00 0.00 C ATOM 0 H THR A 119 2.763 -2.811 -3.023 1.00 -0.73 H new ATOM 0 HA THR A 119 0.082 -3.199 -2.397 1.00 0.36 H new ATOM 0 HB THR A 119 2.505 -4.815 -1.597 1.00 0.28 H new ATOM 0 HG1 THR A 119 2.596 -4.966 -3.764 1.00 -0.68 H new ATOM 0 HG21 THR A 119 1.059 -6.810 -1.685 1.00 0.00 H new ATOM 0 HG22 THR A 119 0.557 -5.660 -0.422 1.00 0.00 H new ATOM 0 HG23 THR A 119 -0.355 -5.761 -1.947 1.00 0.00 H new ATOM 1839 N HIS A 120 1.946 -2.734 0.311 1.00 -0.73 N ATOM 1840 CA HIS A 120 1.936 -2.391 1.729 1.00 0.36 C ATOM 1841 C HIS A 120 1.092 -1.131 1.950 1.00 0.57 C ATOM 1842 O HIS A 120 0.157 -1.126 2.747 1.00 -0.57 O ATOM 1843 CB HIS A 120 3.401 -2.231 2.201 1.00 0.17 C ATOM 1844 CG HIS A 120 3.591 -1.986 3.677 1.00 0.18 C ATOM 1845 ND1 HIS A 120 4.329 -2.771 4.545 1.00 -0.70 N ATOM 1846 CD2 HIS A 120 3.025 -0.983 4.412 1.00 0.20 C ATOM 1847 CE1 HIS A 120 4.153 -2.281 5.791 1.00 0.65 C ATOM 1848 NE2 HIS A 120 3.345 -1.206 5.731 1.00 -0.70 N ATOM 0 H HIS A 120 2.886 -2.766 -0.083 1.00 -0.73 H new ATOM 0 HA HIS A 120 1.476 -3.179 2.326 1.00 0.36 H new ATOM 0 HB2 HIS A 120 3.952 -3.131 1.927 1.00 0.17 H new ATOM 0 HB3 HIS A 120 3.851 -1.403 1.653 1.00 0.17 H new ATOM 0 HD1 HIS A 120 4.903 -3.575 4.290 1.00 -0.70 H new ATOM 0 HD2 HIS A 120 2.434 -0.165 4.028 1.00 0.20 H new ATOM 0 HE1 HIS A 120 4.590 -2.687 6.691 1.00 0.65 H new ATOM 1857 N GLU A 121 1.426 -0.055 1.241 1.00 -0.73 N ATOM 1858 CA GLU A 121 0.837 1.258 1.455 1.00 0.36 C ATOM 1859 C GLU A 121 -0.616 1.293 0.991 1.00 0.57 C ATOM 1860 O GLU A 121 -1.501 1.707 1.744 1.00 -0.57 O ATOM 1861 CB GLU A 121 1.690 2.279 0.692 1.00 0.00 C ATOM 1862 CG GLU A 121 3.092 2.418 1.303 1.00 0.06 C ATOM 1863 CD GLU A 121 3.004 2.999 2.698 1.00 0.66 C ATOM 1864 OE1 GLU A 121 2.926 2.219 3.633 1.00 -0.57 O ATOM 1865 OE2 GLU A 121 2.970 4.325 2.794 1.00 -0.65 O ATOM 0 H GLU A 121 2.121 -0.074 0.495 1.00 -0.73 H new ATOM 0 HA GLU A 121 0.827 1.498 2.518 1.00 0.36 H new ATOM 0 HB2 GLU A 121 1.776 1.974 -0.351 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.192 3.248 0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.579 1.443 1.338 1.00 0.06 H new ATOM 0 HG3 GLU A 121 3.708 3.060 0.673 1.00 0.06 H new ATOM 1873 N LEU A 122 -0.870 0.782 -0.218 1.00 -0.73 N ATOM 1874 CA LEU A 122 -2.197 0.670 -0.808 1.00 0.36 C ATOM 1875 C LEU A 122 -3.097 -0.208 0.049 1.00 0.57 C ATOM 1876 O LEU A 122 -4.304 0.013 0.061 1.00 -0.57 O ATOM 1877 CB LEU A 122 -2.118 0.071 -2.220 1.00 0.00 C ATOM 1878 CG LEU A 122 -1.468 1.012 -3.250 1.00 0.00 C ATOM 1879 CD1 LEU A 122 -0.968 0.200 -4.449 1.00 0.00 C ATOM 1880 CD2 LEU A 122 -2.463 2.072 -3.739 1.00 0.00 C ATOM 0 H LEU A 122 -0.133 0.426 -0.826 1.00 -0.73 H new ATOM 0 HA LEU A 122 -2.616 1.675 -0.863 1.00 0.36 H new ATOM 0 HB2 LEU A 122 -1.551 -0.859 -2.180 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.124 -0.183 -2.555 1.00 0.00 H new ATOM 0 HG LEU A 122 -0.633 1.517 -2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -0.509 0.870 -5.176 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -0.232 -0.530 -4.112 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -1.807 -0.318 -4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -1.975 2.722 -4.465 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.317 1.581 -4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.806 2.667 -2.893 1.00 0.00 H new ATOM 1892 N GLY A 123 -2.541 -1.177 0.780 1.00 -0.73 N ATOM 1893 CA GLY A 123 -3.301 -1.968 1.727 1.00 0.36 C ATOM 1894 C GLY A 123 -3.907 -1.124 2.827 1.00 0.57 C ATOM 1895 O GLY A 123 -5.106 -1.222 3.111 1.00 -0.57 O ATOM 0 H GLY A 123 -1.554 -1.428 0.726 1.00 -0.73 H new ATOM 0 HA2 GLY A 123 -4.095 -2.498 1.200 1.00 0.36 H new ATOM 0 HA3 GLY A 123 -2.652 -2.724 2.168 1.00 0.36 H new ATOM 1899 N HIS A 124 -3.098 -0.235 3.405 1.00 -0.73 N ATOM 1900 CA HIS A 124 -3.607 0.709 4.377 1.00 0.36 C ATOM 1901 C HIS A 124 -4.627 1.635 3.736 1.00 0.57 C ATOM 1902 O HIS A 124 -5.687 1.827 4.332 1.00 -0.57 O ATOM 1903 CB HIS A 124 -2.470 1.482 5.037 1.00 0.17 C ATOM 1904 CG HIS A 124 -1.546 0.573 5.800 1.00 0.18 C ATOM 1905 ND1 HIS A 124 -1.908 -0.359 6.744 1.00 -0.70 N ATOM 1906 CD2 HIS A 124 -0.198 0.460 5.615 1.00 0.20 C ATOM 1907 CE1 HIS A 124 -0.797 -1.006 7.128 1.00 0.65 C ATOM 1908 NE2 HIS A 124 0.278 -0.525 6.487 1.00 -0.70 N ATOM 0 H HIS A 124 -2.099 -0.156 3.214 1.00 -0.73 H new ATOM 0 HA HIS A 124 -4.116 0.155 5.166 1.00 0.36 H new ATOM 0 HB2 HIS A 124 -1.905 2.018 4.275 1.00 0.17 H new ATOM 0 HB3 HIS A 124 -2.884 2.230 5.713 1.00 0.17 H new ATOM 0 HD2 HIS A 124 0.397 1.031 4.918 1.00 0.20 H new ATOM 0 HE1 HIS A 124 -0.772 -1.805 7.854 1.00 0.65 H new ATOM 0 HE2 HIS A 124 1.247 -0.818 6.610 1.00 -0.70 H new ATOM 1917 N SER A 125 -4.352 2.120 2.516 1.00 -0.73 N ATOM 1918 CA SER A 125 -5.289 2.921 1.746 1.00 0.36 C ATOM 1919 C SER A 125 -6.622 2.211 1.487 1.00 0.57 C ATOM 1920 O SER A 125 -7.658 2.866 1.391 1.00 -0.57 O ATOM 1921 CB SER A 125 -4.672 3.302 0.401 1.00 0.28 C ATOM 1922 OG SER A 125 -3.441 3.967 0.560 1.00 -0.68 O ATOM 0 H SER A 125 -3.464 1.961 2.041 1.00 -0.73 H new ATOM 0 HA SER A 125 -5.496 3.806 2.347 1.00 0.36 H new ATOM 0 HB2 SER A 125 -4.525 2.404 -0.199 1.00 0.28 H new ATOM 0 HB3 SER A 125 -5.363 3.942 -0.147 1.00 0.28 H new ATOM 0 HG SER A 125 -3.580 4.934 0.488 1.00 -0.68 H new ATOM 1928 N LEU A 126 -6.600 0.881 1.343 1.00 -0.73 N ATOM 1929 CA LEU A 126 -7.784 0.071 1.117 1.00 0.36 C ATOM 1930 C LEU A 126 -8.683 0.106 2.353 1.00 0.57 C ATOM 1931 O LEU A 126 -9.878 0.371 2.227 1.00 -0.57 O ATOM 1932 CB LEU A 126 -7.366 -1.376 0.775 1.00 0.00 C ATOM 1933 CG LEU A 126 -8.318 -2.140 -0.159 1.00 0.00 C ATOM 1934 CD1 LEU A 126 -9.784 -2.045 0.269 1.00 0.00 C ATOM 1935 CD2 LEU A 126 -8.172 -1.670 -1.614 1.00 0.00 C ATOM 0 H LEU A 126 -5.739 0.336 1.382 1.00 -0.73 H new ATOM 0 HA LEU A 126 -8.348 0.474 0.276 1.00 0.36 H new ATOM 0 HB2 LEU A 126 -6.378 -1.351 0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.271 -1.937 1.705 1.00 0.00 H new ATOM 0 HG LEU A 126 -8.023 -3.187 -0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -10.404 -2.605 -0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -9.899 -2.462 1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -10.095 -1.000 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -8.859 -2.230 -2.248 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.404 -0.607 -1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -7.149 -1.839 -1.950 1.00 0.00 H new ATOM 1947 N GLY A 127 -8.119 -0.148 3.543 1.00 -0.73 N ATOM 1948 CA GLY A 127 -8.913 -0.291 4.759 1.00 0.36 C ATOM 1949 C GLY A 127 -8.127 -0.714 5.996 1.00 0.57 C ATOM 1950 O GLY A 127 -8.704 -1.401 6.836 1.00 -0.57 O ATOM 0 H GLY A 127 -7.115 -0.258 3.683 1.00 -0.73 H new ATOM 0 HA2 GLY A 127 -9.406 0.659 4.967 1.00 0.36 H new ATOM 0 HA3 GLY A 127 -9.699 -1.024 4.578 1.00 0.36 H new ATOM 1954 N MET A 128 -6.853 -0.308 6.119 1.00 -0.73 N ATOM 1955 CA MET A 128 -5.895 -0.817 7.117 1.00 0.36 C ATOM 1956 C MET A 128 -5.574 -2.313 6.891 1.00 0.57 C ATOM 1957 O MET A 128 -6.178 -2.967 6.044 1.00 -0.57 O ATOM 1958 CB MET A 128 -6.348 -0.518 8.564 1.00 0.00 C ATOM 1959 CG MET A 128 -6.638 0.964 8.859 1.00 0.23 C ATOM 1960 SD MET A 128 -5.265 1.918 9.575 1.00 -0.46 S ATOM 1961 CE MET A 128 -4.237 2.251 8.126 1.00 0.23 C ATOM 0 H MET A 128 -6.448 0.403 5.510 1.00 -0.73 H new ATOM 0 HA MET A 128 -4.961 -0.273 6.973 1.00 0.36 H new ATOM 0 HB2 MET A 128 -7.246 -1.098 8.775 1.00 0.00 H new ATOM 0 HB3 MET A 128 -5.576 -0.866 9.250 1.00 0.00 H new ATOM 0 HG2 MET A 128 -6.943 1.446 7.930 1.00 0.23 H new ATOM 0 HG3 MET A 128 -7.487 1.019 9.541 1.00 0.23 H new ATOM 0 HE1 MET A 128 -3.657 3.159 8.292 1.00 0.23 H new ATOM 0 HE2 MET A 128 -3.560 1.413 7.960 1.00 0.23 H new ATOM 0 HE3 MET A 128 -4.873 2.382 7.251 1.00 0.23 H new ATOM 1971 N GLY A 129 -4.583 -2.853 7.621 1.00 -0.73 N ATOM 1972 CA GLY A 129 -4.138 -4.234 7.430 1.00 0.36 C ATOM 1973 C GLY A 129 -2.728 -4.503 7.963 1.00 0.57 C ATOM 1974 O GLY A 129 -1.932 -5.115 7.266 1.00 -0.57 O ATOM 0 H GLY A 129 -4.077 -2.348 8.349 1.00 -0.73 H new ATOM 0 HA2 GLY A 129 -4.839 -4.905 7.927 1.00 0.36 H new ATOM 0 HA3 GLY A 129 -4.167 -4.473 6.367 1.00 0.36 H new ATOM 1978 N HIS A 130 -2.382 -4.007 9.158 1.00 -0.73 N ATOM 1979 CA HIS A 130 -1.078 -4.270 9.773 1.00 0.36 C ATOM 1980 C HIS A 130 -1.059 -5.624 10.507 1.00 0.57 C ATOM 1981 O HIS A 130 -2.119 -6.191 10.802 1.00 -0.57 O ATOM 1982 CB HIS A 130 -0.709 -3.114 10.733 1.00 0.17 C ATOM 1983 CG HIS A 130 0.359 -2.161 10.243 1.00 0.18 C ATOM 1984 ND1 HIS A 130 0.553 -0.867 10.683 1.00 -0.70 N ATOM 1985 CD2 HIS A 130 1.372 -2.431 9.359 1.00 0.20 C ATOM 1986 CE1 HIS A 130 1.656 -0.389 10.082 1.00 0.65 C ATOM 1987 NE2 HIS A 130 2.184 -1.304 9.256 1.00 -0.70 N ATOM 0 H HIS A 130 -2.994 -3.417 9.721 1.00 -0.73 H new ATOM 0 HA HIS A 130 -0.331 -4.326 8.981 1.00 0.36 H new ATOM 0 HB2 HIS A 130 -1.612 -2.540 10.943 1.00 0.17 H new ATOM 0 HB3 HIS A 130 -0.378 -3.544 11.678 1.00 0.17 H new ATOM 0 HD2 HIS A 130 1.516 -3.362 8.831 1.00 0.20 H new ATOM 0 HE1 HIS A 130 2.062 0.599 10.243 1.00 0.65 H new ATOM 0 HE2 HIS A 130 3.012 -1.196 8.671 1.00 -0.70 H new ATOM 1996 N SER A 131 0.148 -6.087 10.870 1.00 -0.73 N ATOM 1997 CA SER A 131 0.399 -7.316 11.620 1.00 0.36 C ATOM 1998 C SER A 131 1.825 -7.281 12.195 1.00 0.57 C ATOM 1999 O SER A 131 2.542 -6.293 12.028 1.00 -0.57 O ATOM 2000 CB SER A 131 0.230 -8.506 10.670 1.00 0.28 C ATOM 2001 OG SER A 131 -0.332 -9.649 11.289 1.00 -0.68 O ATOM 0 H SER A 131 1.008 -5.590 10.636 1.00 -0.73 H new ATOM 0 HA SER A 131 -0.304 -7.411 12.448 1.00 0.36 H new ATOM 0 HB2 SER A 131 -0.403 -8.207 9.835 1.00 0.28 H new ATOM 0 HB3 SER A 131 1.202 -8.769 10.254 1.00 0.28 H new ATOM 0 HG SER A 131 -0.415 -10.370 10.631 1.00 -0.68 H new ATOM 2007 N SER A 132 2.231 -8.384 12.840 1.00 -0.73 N ATOM 2008 CA SER A 132 3.528 -8.556 13.499 1.00 0.36 C ATOM 2009 C SER A 132 4.021 -10.016 13.319 1.00 0.57 C ATOM 2010 O SER A 132 4.586 -10.637 14.221 1.00 -0.57 O ATOM 2011 CB SER A 132 3.388 -8.100 14.965 1.00 0.28 C ATOM 2012 OG SER A 132 4.545 -7.431 15.420 1.00 -0.68 O ATOM 0 H SER A 132 1.640 -9.211 12.918 1.00 -0.73 H new ATOM 0 HA SER A 132 4.302 -7.936 13.047 1.00 0.36 H new ATOM 0 HB2 SER A 132 2.526 -7.440 15.059 1.00 0.28 H new ATOM 0 HB3 SER A 132 3.197 -8.966 15.598 1.00 0.28 H new ATOM 0 HG SER A 132 4.418 -7.156 16.352 1.00 -0.68 H new ATOM 2018 N ASP A 133 3.723 -10.593 12.144 1.00 -0.73 N ATOM 2019 CA ASP A 133 4.066 -11.968 11.761 1.00 0.36 C ATOM 2020 C ASP A 133 5.482 -11.992 11.158 1.00 0.57 C ATOM 2021 O ASP A 133 5.876 -10.997 10.548 1.00 -0.57 O ATOM 2022 CB ASP A 133 3.033 -12.480 10.733 1.00 0.06 C ATOM 2023 CG ASP A 133 2.535 -13.889 11.051 1.00 0.66 C ATOM 2024 OD1 ASP A 133 2.067 -14.067 12.163 1.00 -0.57 O ATOM 2025 OD2 ASP A 133 2.651 -14.814 10.102 1.00 -0.65 O ATOM 0 H ASP A 133 3.219 -10.096 11.410 1.00 -0.73 H new ATOM 0 HA ASP A 133 4.047 -12.616 12.637 1.00 0.36 H new ATOM 0 HB2 ASP A 133 2.184 -11.797 10.705 1.00 0.06 H new ATOM 0 HB3 ASP A 133 3.481 -12.473 9.739 1.00 0.06 H new ATOM 2031 N PRO A 134 6.246 -13.103 11.244 1.00 -0.66 N ATOM 2032 CA PRO A 134 7.671 -13.117 10.893 1.00 0.36 C ATOM 2033 C PRO A 134 7.930 -12.847 9.406 1.00 0.57 C ATOM 2034 O PRO A 134 9.017 -12.393 9.049 1.00 -0.57 O ATOM 2035 CB PRO A 134 8.194 -14.499 11.307 1.00 0.00 C ATOM 2036 CG PRO A 134 6.955 -15.391 11.351 1.00 0.00 C ATOM 2037 CD PRO A 134 5.785 -14.437 11.592 1.00 0.30 C ATOM 0 HA PRO A 134 8.191 -12.312 11.412 1.00 0.36 H new ATOM 0 HB2 PRO A 134 8.926 -14.875 10.592 1.00 0.00 H new ATOM 0 HB3 PRO A 134 8.687 -14.460 12.278 1.00 0.00 H new ATOM 0 HG2 PRO A 134 6.831 -15.939 10.417 1.00 0.00 H new ATOM 0 HG3 PRO A 134 7.030 -16.131 12.147 1.00 0.00 H new ATOM 0 HD2 PRO A 134 4.926 -14.719 10.984 1.00 0.30 H new ATOM 0 HD3 PRO A 134 5.465 -14.475 12.633 1.00 0.30 H new ATOM 2045 N ASN A 135 6.920 -13.096 8.565 1.00 -0.73 N ATOM 2046 CA ASN A 135 6.958 -12.918 7.120 1.00 0.36 C ATOM 2047 C ASN A 135 5.720 -12.111 6.674 1.00 0.57 C ATOM 2048 O ASN A 135 5.228 -12.306 5.560 1.00 -0.57 O ATOM 2049 CB ASN A 135 7.035 -14.292 6.415 1.00 0.06 C ATOM 2050 CG ASN A 135 8.210 -15.197 6.809 1.00 0.57 C ATOM 2051 OD1 ASN A 135 9.260 -14.761 7.262 1.00 -0.57 O ATOM 2052 ND2 ASN A 135 8.056 -16.504 6.640 1.00 -0.80 N ATOM 0 H ASN A 135 6.018 -13.442 8.893 1.00 -0.73 H new ATOM 0 HA ASN A 135 7.850 -12.359 6.837 1.00 0.36 H new ATOM 0 HB2 ASN A 135 6.108 -14.830 6.613 1.00 0.06 H new ATOM 0 HB3 ASN A 135 7.081 -14.122 5.339 1.00 0.06 H new ATOM 0 HD21 ASN A 135 8.812 -17.143 6.887 1.00 -0.80 H new ATOM 0 HD22 ASN A 135 7.182 -16.870 6.263 1.00 -0.80 H new ATOM 2059 N ALA A 136 5.165 -11.257 7.552 1.00 -0.73 N ATOM 2060 CA ALA A 136 4.011 -10.431 7.215 1.00 0.36 C ATOM 2061 C ALA A 136 4.348 -9.512 6.036 1.00 0.57 C ATOM 2062 O ALA A 136 5.369 -8.827 6.030 1.00 -0.57 O ATOM 2063 CB ALA A 136 3.541 -9.627 8.435 1.00 0.00 C ATOM 0 H ALA A 136 5.506 -11.126 8.504 1.00 -0.73 H new ATOM 0 HA ALA A 136 3.189 -11.081 6.916 1.00 0.36 H new ATOM 0 HB1 ALA A 136 2.680 -9.018 8.160 1.00 0.00 H new ATOM 0 HB2 ALA A 136 3.261 -10.311 9.236 1.00 0.00 H new ATOM 0 HB3 ALA A 136 4.348 -8.979 8.777 1.00 0.00 H new ATOM 2069 N VAL A 137 3.461 -9.459 5.044 1.00 -0.73 N ATOM 2070 CA VAL A 137 3.591 -8.570 3.890 1.00 0.36 C ATOM 2071 C VAL A 137 3.473 -7.090 4.300 1.00 0.57 C ATOM 2072 O VAL A 137 4.023 -6.211 3.634 1.00 -0.57 O ATOM 2073 CB VAL A 137 2.561 -9.011 2.840 1.00 0.00 C ATOM 2074 CG1 VAL A 137 1.135 -8.845 3.351 1.00 0.00 C ATOM 2075 CG2 VAL A 137 2.704 -8.295 1.492 1.00 0.00 C ATOM 0 H VAL A 137 2.622 -10.039 5.018 1.00 -0.73 H new ATOM 0 HA VAL A 137 4.585 -8.648 3.449 1.00 0.36 H new ATOM 0 HB VAL A 137 2.771 -10.067 2.669 1.00 0.00 H new ATOM 0 HG11 VAL A 137 0.433 -9.167 2.582 1.00 0.00 H new ATOM 0 HG12 VAL A 137 0.996 -9.452 4.246 1.00 0.00 H new ATOM 0 HG13 VAL A 137 0.954 -7.797 3.592 1.00 0.00 H new ATOM 0 HG21 VAL A 137 1.942 -8.660 0.803 1.00 0.00 H new ATOM 0 HG22 VAL A 137 2.580 -7.222 1.635 1.00 0.00 H new ATOM 0 HG23 VAL A 137 3.692 -8.494 1.078 1.00 0.00 H new ATOM 2085 N MET A 138 2.822 -6.805 5.436 1.00 -0.73 N ATOM 2086 CA MET A 138 2.754 -5.485 6.034 1.00 0.36 C ATOM 2087 C MET A 138 3.663 -5.382 7.270 1.00 0.57 C ATOM 2088 O MET A 138 3.466 -4.484 8.085 1.00 -0.57 O ATOM 2089 CB MET A 138 1.281 -5.088 6.282 1.00 0.00 C ATOM 2090 CG MET A 138 0.885 -3.807 5.527 1.00 0.23 C ATOM 2091 SD MET A 138 -0.691 -3.848 4.623 1.00 -0.46 S ATOM 2092 CE MET A 138 -0.375 -5.252 3.519 1.00 0.23 C ATOM 0 H MET A 138 2.318 -7.512 5.971 1.00 -0.73 H new ATOM 0 HA MET A 138 3.151 -4.746 5.338 1.00 0.36 H new ATOM 0 HB2 MET A 138 0.630 -5.905 5.972 1.00 0.00 H new ATOM 0 HB3 MET A 138 1.122 -4.941 7.350 1.00 0.00 H new ATOM 0 HG2 MET A 138 0.845 -2.988 6.245 1.00 0.23 H new ATOM 0 HG3 MET A 138 1.678 -3.571 4.818 1.00 0.23 H new ATOM 0 HE1 MET A 138 -0.426 -4.919 2.483 1.00 0.23 H new ATOM 0 HE2 MET A 138 0.616 -5.658 3.721 1.00 0.23 H new ATOM 0 HE3 MET A 138 -1.125 -6.025 3.689 1.00 0.23 H new ATOM 2102 N TYR A 139 4.673 -6.256 7.424 1.00 -0.73 N ATOM 2103 CA TYR A 139 5.563 -6.219 8.586 1.00 0.36 C ATOM 2104 C TYR A 139 6.247 -4.844 8.727 1.00 0.57 C ATOM 2105 O TYR A 139 6.770 -4.335 7.727 1.00 -0.57 O ATOM 2106 CB TYR A 139 6.638 -7.313 8.489 1.00 0.14 C ATOM 2107 CG TYR A 139 7.364 -7.575 9.792 1.00 -0.14 C ATOM 2108 CD1 TYR A 139 6.651 -8.066 10.902 1.00 -0.15 C ATOM 2109 CD2 TYR A 139 8.748 -7.346 9.893 1.00 -0.15 C ATOM 2110 CE1 TYR A 139 7.306 -8.304 12.121 1.00 -0.15 C ATOM 2111 CE2 TYR A 139 9.414 -7.593 11.106 1.00 -0.15 C ATOM 2112 CZ TYR A 139 8.696 -8.067 12.228 1.00 0.08 C ATOM 2113 OH TYR A 139 9.348 -8.300 13.403 1.00 -0.53 O ATOM 0 H TYR A 139 4.889 -6.995 6.755 1.00 -0.73 H new ATOM 0 HA TYR A 139 4.947 -6.397 9.467 1.00 0.36 H new ATOM 0 HB2 TYR A 139 6.172 -8.239 8.152 1.00 0.14 H new ATOM 0 HB3 TYR A 139 7.366 -7.028 7.730 1.00 0.14 H new ATOM 0 HD1 TYR A 139 5.592 -8.261 10.815 1.00 -0.15 H new ATOM 0 HD2 TYR A 139 9.299 -6.981 9.039 1.00 -0.15 H new ATOM 0 HE1 TYR A 139 6.751 -8.667 12.973 1.00 -0.15 H new ATOM 0 HE2 TYR A 139 10.477 -7.420 11.181 1.00 -0.15 H new ATOM 0 HH TYR A 139 10.298 -8.085 13.298 1.00 -0.53 H new ATOM 2123 N PRO A 140 6.283 -4.236 9.929 1.00 -0.66 N ATOM 2124 CA PRO A 140 7.022 -3.004 10.169 1.00 0.36 C ATOM 2125 C PRO A 140 8.529 -3.287 10.289 1.00 0.57 C ATOM 2126 O PRO A 140 8.931 -4.106 11.112 1.00 -0.57 O ATOM 2127 CB PRO A 140 6.444 -2.436 11.472 1.00 0.00 C ATOM 2128 CG PRO A 140 5.941 -3.666 12.229 1.00 0.00 C ATOM 2129 CD PRO A 140 5.570 -4.655 11.128 1.00 0.30 C ATOM 0 HA PRO A 140 6.919 -2.294 9.348 1.00 0.36 H new ATOM 0 HB2 PRO A 140 7.202 -1.900 12.043 1.00 0.00 H new ATOM 0 HB3 PRO A 140 5.636 -1.732 11.275 1.00 0.00 H new ATOM 0 HG2 PRO A 140 6.710 -4.071 12.886 1.00 0.00 H new ATOM 0 HG3 PRO A 140 5.082 -3.425 12.855 1.00 0.00 H new ATOM 0 HD2 PRO A 140 5.850 -5.670 11.410 1.00 0.30 H new ATOM 0 HD3 PRO A 140 4.494 -4.657 10.957 1.00 0.30 H new ATOM 2137 N THR A 141 9.338 -2.554 9.512 1.00 -0.73 N ATOM 2138 CA THR A 141 10.794 -2.688 9.374 1.00 0.36 C ATOM 2139 C THR A 141 11.164 -3.977 8.616 1.00 0.57 C ATOM 2140 O THR A 141 10.919 -5.086 9.087 1.00 -0.57 O ATOM 2141 CB THR A 141 11.505 -2.527 10.737 1.00 0.28 C ATOM 2142 OG1 THR A 141 11.217 -1.241 11.258 1.00 -0.68 O ATOM 2143 CG2 THR A 141 13.029 -2.654 10.638 1.00 0.00 C ATOM 0 H THR A 141 8.969 -1.805 8.926 1.00 -0.73 H new ATOM 0 HA THR A 141 11.165 -1.870 8.757 1.00 0.36 H new ATOM 0 HB THR A 141 11.137 -3.327 11.380 1.00 0.28 H new ATOM 0 HG1 THR A 141 11.663 -1.131 12.124 1.00 -0.68 H new ATOM 0 HG21 THR A 141 13.469 -2.532 11.628 1.00 0.00 H new ATOM 0 HG22 THR A 141 13.287 -3.637 10.245 1.00 0.00 H new ATOM 0 HG23 THR A 141 13.416 -1.884 9.971 1.00 0.00 H new ATOM 2151 N TYR A 142 11.764 -3.826 7.425 1.00 -0.73 N ATOM 2152 CA TYR A 142 12.200 -4.937 6.571 1.00 0.36 C ATOM 2153 C TYR A 142 13.108 -5.936 7.305 1.00 0.57 C ATOM 2154 O TYR A 142 13.933 -5.542 8.131 1.00 -0.57 O ATOM 2155 CB TYR A 142 12.963 -4.402 5.343 1.00 0.14 C ATOM 2156 CG TYR A 142 12.235 -4.370 4.013 1.00 -0.14 C ATOM 2157 CD1 TYR A 142 11.326 -5.383 3.639 1.00 -0.15 C ATOM 2158 CD2 TYR A 142 12.584 -3.372 3.082 1.00 -0.15 C ATOM 2159 CE1 TYR A 142 10.722 -5.358 2.372 1.00 -0.15 C ATOM 2160 CE2 TYR A 142 12.032 -3.386 1.794 1.00 -0.15 C ATOM 2161 CZ TYR A 142 11.075 -4.356 1.439 1.00 0.08 C ATOM 2162 OH TYR A 142 10.525 -4.310 0.193 1.00 -0.53 O ATOM 0 H TYR A 142 11.963 -2.910 7.023 1.00 -0.73 H new ATOM 0 HA TYR A 142 11.292 -5.459 6.268 1.00 0.36 H new ATOM 0 HB2 TYR A 142 13.291 -3.387 5.569 1.00 0.14 H new ATOM 0 HB3 TYR A 142 13.861 -5.007 5.218 1.00 0.14 H new ATOM 0 HD1 TYR A 142 11.094 -6.180 4.330 1.00 -0.15 H new ATOM 0 HD2 TYR A 142 13.279 -2.594 3.362 1.00 -0.15 H new ATOM 0 HE1 TYR A 142 9.987 -6.105 2.110 1.00 -0.15 H new ATOM 0 HE2 TYR A 142 12.343 -2.648 1.069 1.00 -0.15 H new ATOM 0 HH TYR A 142 9.554 -4.426 0.259 1.00 -0.53 H new ATOM 2172 N GLY A 143 13.025 -7.214 6.912 1.00 -0.73 N ATOM 2173 CA GLY A 143 13.735 -8.313 7.552 1.00 0.36 C ATOM 2174 C GLY A 143 13.560 -9.606 6.755 1.00 0.57 C ATOM 2175 O GLY A 143 13.867 -9.643 5.564 1.00 -0.57 O ATOM 0 H GLY A 143 12.449 -7.511 6.124 1.00 -0.73 H new ATOM 0 HA2 GLY A 143 14.795 -8.070 7.633 1.00 0.36 H new ATOM 0 HA3 GLY A 143 13.362 -8.452 8.567 1.00 0.36 H new ATOM 2179 N ASN A 144 13.066 -10.660 7.419 1.00 -0.73 N ATOM 2180 CA ASN A 144 12.827 -11.979 6.826 1.00 0.36 C ATOM 2181 C ASN A 144 11.805 -11.962 5.685 1.00 0.57 C ATOM 2182 O ASN A 144 11.953 -12.746 4.750 1.00 -0.57 O ATOM 2183 CB ASN A 144 12.288 -12.938 7.903 1.00 0.06 C ATOM 2184 CG ASN A 144 13.321 -13.850 8.545 1.00 0.57 C ATOM 2185 OD1 ASN A 144 14.533 -13.693 8.407 1.00 -0.57 O ATOM 2186 ND2 ASN A 144 12.828 -14.852 9.258 1.00 -0.80 N ATOM 0 H ASN A 144 12.816 -10.616 8.407 1.00 -0.73 H new ATOM 0 HA ASN A 144 13.786 -12.303 6.422 1.00 0.36 H new ATOM 0 HB2 ASN A 144 11.814 -12.347 8.687 1.00 0.06 H new ATOM 0 HB3 ASN A 144 11.510 -13.557 7.456 1.00 0.06 H new ATOM 0 HD21 ASN A 144 13.458 -15.516 9.708 1.00 -0.80 H new ATOM 0 HD22 ASN A 144 11.818 -14.959 9.357 1.00 -0.80 H new ATOM 2193 N GLY A 145 10.754 -11.139 5.802 1.00 -0.73 N ATOM 2194 CA GLY A 145 9.662 -11.040 4.839 1.00 0.36 C ATOM 2195 C GLY A 145 10.195 -10.709 3.451 1.00 0.57 C ATOM 2196 O GLY A 145 10.486 -9.546 3.181 1.00 -0.57 O ATOM 0 H GLY A 145 10.642 -10.507 6.595 1.00 -0.73 H new ATOM 0 HA2 GLY A 145 9.112 -11.981 4.808 1.00 0.36 H new ATOM 0 HA3 GLY A 145 8.959 -10.270 5.157 1.00 0.36 H new ATOM 2200 N ASP A 146 10.362 -11.735 2.609 1.00 -0.73 N ATOM 2201 CA ASP A 146 11.001 -11.619 1.306 1.00 0.36 C ATOM 2202 C ASP A 146 10.141 -10.728 0.411 1.00 0.57 C ATOM 2203 O ASP A 146 8.992 -11.078 0.141 1.00 -0.57 O ATOM 2204 CB ASP A 146 11.199 -13.001 0.675 1.00 0.06 C ATOM 2205 CG ASP A 146 12.125 -12.936 -0.543 1.00 0.66 C ATOM 2206 OD1 ASP A 146 11.852 -12.167 -1.450 1.00 -0.57 O ATOM 2207 OD2 ASP A 146 13.183 -13.742 -0.538 1.00 -0.65 O ATOM 0 H ASP A 146 10.050 -12.682 2.823 1.00 -0.73 H new ATOM 0 HA ASP A 146 11.987 -11.169 1.422 1.00 0.36 H new ATOM 0 HB2 ASP A 146 11.617 -13.683 1.415 1.00 0.06 H new ATOM 0 HB3 ASP A 146 10.233 -13.408 0.377 1.00 0.06 H new ATOM 2213 N PRO A 147 10.639 -9.563 -0.031 1.00 -0.66 N ATOM 2214 CA PRO A 147 9.839 -8.695 -0.860 1.00 0.36 C ATOM 2215 C PRO A 147 9.854 -9.097 -2.330 1.00 0.57 C ATOM 2216 O PRO A 147 9.009 -8.596 -3.063 1.00 -0.57 O ATOM 2217 CB PRO A 147 10.449 -7.318 -0.685 1.00 0.00 C ATOM 2218 CG PRO A 147 11.919 -7.569 -0.351 1.00 0.00 C ATOM 2219 CD PRO A 147 11.926 -8.958 0.287 1.00 0.30 C ATOM 0 HA PRO A 147 8.791 -8.741 -0.563 1.00 0.36 H new ATOM 0 HB2 PRO A 147 10.348 -6.724 -1.594 1.00 0.00 H new ATOM 0 HB3 PRO A 147 9.953 -6.766 0.113 1.00 0.00 H new ATOM 0 HG2 PRO A 147 12.542 -7.538 -1.245 1.00 0.00 H new ATOM 0 HG3 PRO A 147 12.307 -6.814 0.333 1.00 0.00 H new ATOM 0 HD2 PRO A 147 12.746 -9.561 -0.104 1.00 0.30 H new ATOM 0 HD3 PRO A 147 12.067 -8.889 1.366 1.00 0.30 H new ATOM 2227 N GLN A 148 10.794 -9.929 -2.803 1.00 -0.73 N ATOM 2228 CA GLN A 148 10.906 -10.260 -4.224 1.00 0.36 C ATOM 2229 C GLN A 148 9.614 -10.944 -4.688 1.00 0.57 C ATOM 2230 O GLN A 148 9.112 -10.673 -5.781 1.00 -0.57 O ATOM 2231 CB GLN A 148 12.141 -11.156 -4.444 1.00 0.00 C ATOM 2232 CG GLN A 148 12.732 -11.106 -5.864 1.00 0.06 C ATOM 2233 CD GLN A 148 11.822 -11.640 -6.979 1.00 0.57 C ATOM 2234 OE1 GLN A 148 11.195 -12.689 -6.842 1.00 -0.57 O ATOM 2235 NE2 GLN A 148 11.753 -10.936 -8.107 1.00 -0.80 N ATOM 0 H GLN A 148 11.490 -10.386 -2.214 1.00 -0.73 H new ATOM 0 HA GLN A 148 11.039 -9.356 -4.818 1.00 0.36 H new ATOM 0 HB2 GLN A 148 12.915 -10.865 -3.734 1.00 0.00 H new ATOM 0 HB3 GLN A 148 11.870 -12.187 -4.215 1.00 0.00 H new ATOM 0 HG2 GLN A 148 12.991 -10.073 -6.094 1.00 0.06 H new ATOM 0 HG3 GLN A 148 13.660 -11.677 -5.872 1.00 0.06 H new ATOM 0 HE21 GLN A 148 12.281 -10.068 -8.200 1.00 -0.80 H new ATOM 0 HE22 GLN A 148 11.172 -11.264 -8.878 1.00 -0.80 H new ATOM 2244 N ASN A 149 9.041 -11.773 -3.809 1.00 -0.73 N ATOM 2245 CA ASN A 149 7.788 -12.466 -4.029 1.00 0.36 C ATOM 2246 C ASN A 149 7.015 -12.469 -2.715 1.00 0.57 C ATOM 2247 O ASN A 149 7.502 -12.960 -1.704 1.00 -0.57 O ATOM 2248 CB ASN A 149 8.029 -13.888 -4.569 1.00 0.06 C ATOM 2249 CG ASN A 149 8.669 -14.857 -3.569 1.00 0.57 C ATOM 2250 OD1 ASN A 149 8.021 -15.808 -3.127 1.00 -0.57 O ATOM 2251 ND2 ASN A 149 9.945 -14.651 -3.248 1.00 -0.80 N ATOM 0 H ASN A 149 9.457 -11.980 -2.901 1.00 -0.73 H new ATOM 0 HA ASN A 149 7.198 -11.954 -4.789 1.00 0.36 H new ATOM 0 HB2 ASN A 149 7.076 -14.303 -4.896 1.00 0.06 H new ATOM 0 HB3 ASN A 149 8.668 -13.823 -5.450 1.00 0.06 H new ATOM 0 HD21 ASN A 149 10.422 -15.293 -2.614 1.00 -0.80 H new ATOM 0 HD22 ASN A 149 10.446 -13.851 -3.636 1.00 -0.80 H new ATOM 2258 N PHE A 150 5.803 -11.915 -2.758 1.00 -0.73 N ATOM 2259 CA PHE A 150 4.906 -11.796 -1.617 1.00 0.36 C ATOM 2260 C PHE A 150 3.528 -12.290 -2.052 1.00 0.57 C ATOM 2261 O PHE A 150 3.028 -13.237 -1.458 1.00 -0.57 O ATOM 2262 CB PHE A 150 4.884 -10.342 -1.095 1.00 0.14 C ATOM 2263 CG PHE A 150 4.571 -9.287 -2.146 1.00 -0.14 C ATOM 2264 CD1 PHE A 150 5.575 -8.874 -3.041 1.00 -0.15 C ATOM 2265 CD2 PHE A 150 3.265 -8.780 -2.289 1.00 -0.15 C ATOM 2266 CE1 PHE A 150 5.273 -7.998 -4.095 1.00 -0.15 C ATOM 2267 CE2 PHE A 150 2.955 -7.926 -3.361 1.00 -0.15 C ATOM 2268 CZ PHE A 150 3.959 -7.530 -4.258 1.00 -0.15 C ATOM 0 H PHE A 150 5.410 -11.526 -3.615 1.00 -0.73 H new ATOM 0 HA PHE A 150 5.249 -12.408 -0.783 1.00 0.36 H new ATOM 0 HB2 PHE A 150 4.145 -10.269 -0.297 1.00 0.14 H new ATOM 0 HB3 PHE A 150 5.854 -10.116 -0.652 1.00 0.14 H new ATOM 0 HD1 PHE A 150 6.586 -9.234 -2.916 1.00 -0.15 H new ATOM 0 HD2 PHE A 150 2.501 -9.048 -1.574 1.00 -0.15 H new ATOM 0 HE1 PHE A 150 6.048 -7.685 -4.778 1.00 -0.15 H new ATOM 0 HE2 PHE A 150 1.943 -7.574 -3.495 1.00 -0.15 H new ATOM 0 HZ PHE A 150 3.721 -6.865 -5.075 1.00 -0.15 H new ATOM 2278 N LYS A 151 2.964 -11.707 -3.130 1.00 -0.73 N ATOM 2279 CA LYS A 151 1.643 -12.037 -3.684 1.00 0.36 C ATOM 2280 C LYS A 151 0.645 -12.379 -2.564 1.00 0.57 C ATOM 2281 O LYS A 151 0.007 -13.436 -2.592 1.00 -0.57 O ATOM 2282 CB LYS A 151 1.749 -13.144 -4.754 1.00 0.00 C ATOM 2283 CG LYS A 151 2.197 -12.694 -6.152 1.00 0.00 C ATOM 2284 CD LYS A 151 3.627 -12.137 -6.246 1.00 0.00 C ATOM 2285 CE LYS A 151 4.165 -12.246 -7.685 1.00 0.50 C ATOM 2286 NZ LYS A 151 4.464 -13.645 -8.080 1.00 -0.85 N ATOM 0 H LYS A 151 3.435 -10.969 -3.653 1.00 -0.73 H new ATOM 0 HA LYS A 151 1.250 -11.156 -4.191 1.00 0.36 H new ATOM 0 HB2 LYS A 151 2.448 -13.900 -4.397 1.00 0.00 H new ATOM 0 HB3 LYS A 151 0.776 -13.627 -4.845 1.00 0.00 H new ATOM 0 HG2 LYS A 151 2.112 -13.542 -6.831 1.00 0.00 H new ATOM 0 HG3 LYS A 151 1.505 -11.930 -6.507 1.00 0.00 H new ATOM 0 HD2 LYS A 151 3.637 -11.095 -5.927 1.00 0.00 H new ATOM 0 HD3 LYS A 151 4.280 -12.684 -5.567 1.00 0.00 H new ATOM 0 HE2 LYS A 151 3.433 -11.827 -8.375 1.00 0.50 H new ATOM 0 HE3 LYS A 151 5.070 -11.646 -7.777 1.00 0.50 H new ATOM 0 HZ1 LYS A 151 5.078 -13.645 -8.920 1.00 -0.85 H new ATOM 0 HZ2 LYS A 151 4.947 -14.131 -7.298 1.00 -0.85 H new ATOM 0 HZ3 LYS A 151 3.577 -14.141 -8.300 1.00 -0.85 H new ATOM 2300 N LEU A 152 0.556 -11.448 -1.599 1.00 -0.73 N ATOM 2301 CA LEU A 152 -0.312 -11.477 -0.430 1.00 0.36 C ATOM 2302 C LEU A 152 -0.064 -12.749 0.409 1.00 0.57 C ATOM 2303 O LEU A 152 -0.664 -13.785 0.155 1.00 -0.57 O ATOM 2304 CB LEU A 152 -1.784 -11.273 -0.855 1.00 0.00 C ATOM 2305 CG LEU A 152 -2.149 -9.853 -1.358 1.00 0.00 C ATOM 2306 CD1 LEU A 152 -1.793 -9.616 -2.828 1.00 0.00 C ATOM 2307 CD2 LEU A 152 -3.650 -9.565 -1.206 1.00 0.00 C ATOM 0 H LEU A 152 1.129 -10.605 -1.625 1.00 -0.73 H new ATOM 0 HA LEU A 152 -0.070 -10.645 0.231 1.00 0.36 H new ATOM 0 HB2 LEU A 152 -2.018 -11.989 -1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -2.424 -11.513 -0.006 1.00 0.00 H new ATOM 0 HG LEU A 152 -1.556 -9.185 -0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -2.076 -8.602 -3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -0.720 -9.746 -2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -2.329 -10.331 -3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -3.866 -8.560 -1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -4.220 -10.291 -1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -3.930 -9.639 -0.155 1.00 0.00 H new ATOM 2319 N SER A 153 0.853 -12.681 1.391 1.00 -0.73 N ATOM 2320 CA SER A 153 1.375 -13.848 2.112 1.00 0.36 C ATOM 2321 C SER A 153 0.340 -14.586 2.985 1.00 0.57 C ATOM 2322 O SER A 153 -0.198 -15.618 2.585 1.00 -0.57 O ATOM 2323 CB SER A 153 2.590 -13.419 2.955 1.00 0.28 C ATOM 2324 OG SER A 153 3.555 -12.764 2.164 1.00 -0.68 O ATOM 0 H SER A 153 1.256 -11.799 1.708 1.00 -0.73 H new ATOM 0 HA SER A 153 1.665 -14.574 1.353 1.00 0.36 H new ATOM 0 HB2 SER A 153 2.264 -12.757 3.757 1.00 0.28 H new ATOM 0 HB3 SER A 153 3.036 -14.295 3.426 1.00 0.28 H new ATOM 0 HG SER A 153 4.314 -12.501 2.725 1.00 -0.68 H new ATOM 2330 N GLN A 154 0.102 -14.098 4.211 1.00 -0.73 N ATOM 2331 CA GLN A 154 -0.861 -14.634 5.176 1.00 0.36 C ATOM 2332 C GLN A 154 -1.471 -13.461 5.922 1.00 0.57 C ATOM 2333 O GLN A 154 -2.682 -13.413 6.050 1.00 -0.57 O ATOM 2334 CB GLN A 154 -0.203 -15.560 6.217 1.00 0.00 C ATOM 2335 CG GLN A 154 0.238 -16.927 5.684 1.00 0.06 C ATOM 2336 CD GLN A 154 -0.849 -18.001 5.637 1.00 0.57 C ATOM 2337 OE1 GLN A 154 -2.046 -17.756 5.775 1.00 -0.57 O ATOM 2338 NE2 GLN A 154 -0.422 -19.246 5.466 1.00 -0.80 N ATOM 0 H GLN A 154 0.599 -13.283 4.570 1.00 -0.73 H new ATOM 0 HA GLN A 154 -1.600 -15.216 4.626 1.00 0.36 H new ATOM 0 HB2 GLN A 154 0.667 -15.052 6.634 1.00 0.00 H new ATOM 0 HB3 GLN A 154 -0.904 -15.716 7.037 1.00 0.00 H new ATOM 0 HG2 GLN A 154 0.635 -16.793 4.678 1.00 0.06 H new ATOM 0 HG3 GLN A 154 1.057 -17.292 6.304 1.00 0.06 H new ATOM 0 HE21 GLN A 154 0.574 -19.432 5.353 1.00 -0.80 H new ATOM 0 HE22 GLN A 154 -1.090 -20.016 5.448 1.00 -0.80 H new ATOM 2347 N ASP A 155 -0.647 -12.496 6.350 1.00 -0.73 N ATOM 2348 CA ASP A 155 -1.078 -11.219 6.902 1.00 0.36 C ATOM 2349 C ASP A 155 -2.122 -10.541 6.005 1.00 0.57 C ATOM 2350 O ASP A 155 -3.217 -10.255 6.481 1.00 -0.57 O ATOM 2351 CB ASP A 155 0.185 -10.378 7.115 1.00 0.06 C ATOM 2352 CG ASP A 155 -0.047 -8.879 7.216 1.00 0.66 C ATOM 2353 OD1 ASP A 155 0.877 -8.194 6.809 1.00 -0.57 O ATOM 2354 OD2 ASP A 155 -1.164 -8.442 7.790 1.00 -0.65 O ATOM 0 H ASP A 155 0.368 -12.592 6.318 1.00 -0.73 H new ATOM 0 HA ASP A 155 -1.587 -11.351 7.857 1.00 0.36 H new ATOM 0 HB2 ASP A 155 0.678 -10.716 8.027 1.00 0.06 H new ATOM 0 HB3 ASP A 155 0.873 -10.569 6.291 1.00 0.06 H new ATOM 2360 N ASP A 156 -1.845 -10.391 4.701 1.00 -0.73 N ATOM 2361 CA ASP A 156 -2.792 -9.784 3.764 1.00 0.36 C ATOM 2362 C ASP A 156 -4.119 -10.541 3.736 1.00 0.57 C ATOM 2363 O ASP A 156 -5.182 -9.945 3.882 1.00 -0.57 O ATOM 2364 CB ASP A 156 -2.229 -9.777 2.338 1.00 0.06 C ATOM 2365 CG ASP A 156 -2.166 -8.367 1.766 1.00 0.66 C ATOM 2366 OD1 ASP A 156 -3.246 -7.812 1.642 1.00 -0.57 O ATOM 2367 OD2 ASP A 156 -0.983 -7.873 1.412 1.00 -0.65 O ATOM 0 H ASP A 156 -0.967 -10.685 4.273 1.00 -0.73 H new ATOM 0 HA ASP A 156 -2.956 -8.764 4.111 1.00 0.36 H new ATOM 0 HB2 ASP A 156 -1.231 -10.215 2.338 1.00 0.06 H new ATOM 0 HB3 ASP A 156 -2.851 -10.402 1.698 1.00 0.06 H new ATOM 2373 N ILE A 157 -4.047 -11.867 3.567 1.00 -0.73 N ATOM 2374 CA ILE A 157 -5.220 -12.735 3.509 1.00 0.36 C ATOM 2375 C ILE A 157 -5.980 -12.625 4.826 1.00 0.57 C ATOM 2376 O ILE A 157 -7.202 -12.514 4.824 1.00 -0.57 O ATOM 2377 CB ILE A 157 -4.797 -14.194 3.171 1.00 0.00 C ATOM 2378 CG1 ILE A 157 -4.867 -14.451 1.654 1.00 0.00 C ATOM 2379 CG2 ILE A 157 -5.657 -15.277 3.850 1.00 0.00 C ATOM 2380 CD1 ILE A 157 -3.819 -13.669 0.872 1.00 0.00 C ATOM 0 H ILE A 157 -3.164 -12.368 3.466 1.00 -0.73 H new ATOM 0 HA ILE A 157 -5.891 -12.420 2.710 1.00 0.36 H new ATOM 0 HB ILE A 157 -3.779 -14.273 3.551 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -4.735 -15.516 1.464 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -5.859 -14.183 1.290 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -5.295 -16.264 3.561 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -5.590 -15.169 4.933 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -6.695 -15.166 3.538 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -3.917 -13.891 -0.191 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -3.965 -12.601 1.035 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -2.823 -13.955 1.212 1.00 0.00 H new ATOM 2392 N LYS A 158 -5.272 -12.658 5.954 1.00 -0.73 N ATOM 2393 CA LYS A 158 -5.866 -12.607 7.272 1.00 0.36 C ATOM 2394 C LYS A 158 -6.536 -11.256 7.460 1.00 0.57 C ATOM 2395 O LYS A 158 -7.676 -11.244 7.893 1.00 -0.57 O ATOM 2396 CB LYS A 158 -4.794 -12.916 8.324 1.00 0.00 C ATOM 2397 CG LYS A 158 -5.388 -13.153 9.717 1.00 0.00 C ATOM 2398 CD LYS A 158 -4.319 -13.749 10.639 1.00 0.00 C ATOM 2399 CE LYS A 158 -4.908 -14.009 12.029 1.00 0.50 C ATOM 2400 NZ LYS A 158 -3.931 -13.743 13.104 1.00 -0.85 N ATOM 0 H LYS A 158 -4.254 -12.722 5.969 1.00 -0.73 H new ATOM 0 HA LYS A 158 -6.642 -13.364 7.390 1.00 0.36 H new ATOM 0 HB2 LYS A 158 -4.233 -13.799 8.017 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -4.086 -12.088 8.371 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -5.756 -12.214 10.130 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -6.241 -13.828 9.649 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -3.941 -14.680 10.216 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -3.473 -13.067 10.716 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -5.786 -13.380 12.174 1.00 0.50 H new ATOM 0 HE3 LYS A 158 -5.244 -15.044 12.092 1.00 0.50 H new ATOM 0 HZ1 LYS A 158 -4.371 -13.932 14.027 1.00 -0.85 H new ATOM 0 HZ2 LYS A 158 -3.104 -14.361 12.982 1.00 -0.85 H new ATOM 0 HZ3 LYS A 158 -3.629 -12.749 13.061 1.00 -0.85 H new ATOM 2414 N GLY A 159 -5.891 -10.148 7.083 1.00 -0.73 N ATOM 2415 CA GLY A 159 -6.481 -8.820 7.091 1.00 0.36 C ATOM 2416 C GLY A 159 -7.722 -8.780 6.210 1.00 0.57 C ATOM 2417 O GLY A 159 -8.818 -8.533 6.707 1.00 -0.57 O ATOM 0 H GLY A 159 -4.924 -10.157 6.758 1.00 -0.73 H new ATOM 0 HA2 GLY A 159 -6.743 -8.539 8.111 1.00 0.36 H new ATOM 0 HA3 GLY A 159 -5.753 -8.090 6.736 1.00 0.36 H new ATOM 2421 N ILE A 160 -7.593 -9.090 4.920 1.00 -0.73 N ATOM 2422 CA ILE A 160 -8.714 -9.046 3.991 1.00 0.36 C ATOM 2423 C ILE A 160 -9.864 -9.947 4.459 1.00 0.57 C ATOM 2424 O ILE A 160 -10.993 -9.467 4.530 1.00 -0.57 O ATOM 2425 CB ILE A 160 -8.216 -9.329 2.554 1.00 0.00 C ATOM 2426 CG1 ILE A 160 -7.588 -8.067 1.916 1.00 0.00 C ATOM 2427 CG2 ILE A 160 -9.321 -9.888 1.645 1.00 0.00 C ATOM 2428 CD1 ILE A 160 -8.520 -6.844 1.849 1.00 0.00 C ATOM 0 H ILE A 160 -6.712 -9.377 4.494 1.00 -0.73 H new ATOM 0 HA ILE A 160 -9.142 -8.044 3.974 1.00 0.36 H new ATOM 0 HB ILE A 160 -7.448 -10.097 2.645 1.00 0.00 H new ATOM 0 HG12 ILE A 160 -6.697 -7.796 2.482 1.00 0.00 H new ATOM 0 HG13 ILE A 160 -7.261 -8.313 0.906 1.00 0.00 H new ATOM 0 HG21 ILE A 160 -8.916 -10.068 0.649 1.00 0.00 H new ATOM 0 HG22 ILE A 160 -9.694 -10.824 2.060 1.00 0.00 H new ATOM 0 HG23 ILE A 160 -10.137 -9.169 1.580 1.00 0.00 H new ATOM 0 HD11 ILE A 160 -7.993 -6.009 1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 160 -9.401 -7.090 1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 160 -8.828 -6.565 2.857 1.00 0.00 H new ATOM 2440 N GLN A 161 -9.617 -11.205 4.835 1.00 -0.73 N ATOM 2441 CA GLN A 161 -10.672 -12.106 5.303 1.00 0.36 C ATOM 2442 C GLN A 161 -11.168 -11.737 6.723 1.00 0.57 C ATOM 2443 O GLN A 161 -12.254 -12.169 7.110 1.00 -0.57 O ATOM 2444 CB GLN A 161 -10.232 -13.584 5.182 1.00 0.00 C ATOM 2445 CG GLN A 161 -9.934 -14.033 3.728 1.00 0.06 C ATOM 2446 CD GLN A 161 -9.983 -15.559 3.522 1.00 0.57 C ATOM 2447 OE1 GLN A 161 -10.649 -16.075 2.624 1.00 -0.57 O ATOM 2448 NE2 GLN A 161 -9.289 -16.339 4.339 1.00 -0.80 N ATOM 0 H GLN A 161 -8.687 -11.624 4.824 1.00 -0.73 H new ATOM 0 HA GLN A 161 -11.535 -11.978 4.649 1.00 0.36 H new ATOM 0 HB2 GLN A 161 -9.340 -13.738 5.790 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -11.014 -14.221 5.596 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -10.654 -13.563 3.058 1.00 0.06 H new ATOM 0 HG3 GLN A 161 -8.947 -13.669 3.441 1.00 0.06 H new ATOM 0 HE21 GLN A 161 -8.732 -15.926 5.088 1.00 -0.80 H new ATOM 0 HE22 GLN A 161 -9.312 -17.352 4.219 1.00 -0.80 H new ATOM 2457 N LYS A 162 -10.438 -10.910 7.488 1.00 -0.73 N ATOM 2458 CA LYS A 162 -10.899 -10.336 8.759 1.00 0.36 C ATOM 2459 C LYS A 162 -11.829 -9.138 8.530 1.00 0.57 C ATOM 2460 O LYS A 162 -12.724 -8.933 9.356 1.00 -0.57 O ATOM 2461 CB LYS A 162 -9.671 -9.926 9.609 1.00 0.00 C ATOM 2462 CG LYS A 162 -9.965 -9.272 10.963 1.00 0.00 C ATOM 2463 CD LYS A 162 -10.528 -10.292 11.958 1.00 0.00 C ATOM 2464 CE LYS A 162 -11.672 -9.734 12.806 1.00 0.50 C ATOM 2465 NZ LYS A 162 -12.978 -9.855 12.123 1.00 -0.85 N ATOM 0 H LYS A 162 -9.494 -10.617 7.235 1.00 -0.73 H new ATOM 0 HA LYS A 162 -11.475 -11.090 9.295 1.00 0.36 H new ATOM 0 HB2 LYS A 162 -9.065 -10.815 9.784 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -9.064 -9.237 9.022 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -9.051 -8.834 11.365 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -10.677 -8.458 10.830 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -10.882 -11.167 11.412 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -9.727 -10.629 12.616 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -11.710 -10.264 13.758 1.00 0.50 H new ATOM 0 HE3 LYS A 162 -11.477 -8.686 13.033 1.00 0.50 H new ATOM 0 HZ1 LYS A 162 -13.681 -9.264 12.611 1.00 -0.85 H new ATOM 0 HZ2 LYS A 162 -12.885 -9.539 11.137 1.00 -0.85 H new ATOM 0 HZ3 LYS A 162 -13.288 -10.847 12.140 1.00 -0.85 H new ATOM 2479 N LEU A 163 -11.612 -8.374 7.448 1.00 -0.73 N ATOM 2480 CA LEU A 163 -12.379 -7.175 7.089 1.00 0.36 C ATOM 2481 C LEU A 163 -13.604 -7.521 6.217 1.00 0.57 C ATOM 2482 O LEU A 163 -14.700 -7.020 6.460 1.00 -0.57 O ATOM 2483 CB LEU A 163 -11.466 -6.190 6.324 1.00 0.00 C ATOM 2484 CG LEU A 163 -10.253 -5.607 7.083 1.00 0.00 C ATOM 2485 CD1 LEU A 163 -9.464 -4.680 6.147 1.00 0.00 C ATOM 2486 CD2 LEU A 163 -10.645 -4.873 8.367 1.00 0.00 C ATOM 0 H LEU A 163 -10.872 -8.583 6.777 1.00 -0.73 H new ATOM 0 HA LEU A 163 -12.740 -6.719 8.011 1.00 0.36 H new ATOM 0 HB2 LEU A 163 -11.094 -6.698 5.434 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -12.081 -5.357 5.982 1.00 0.00 H new ATOM 0 HG LEU A 163 -9.628 -6.444 7.393 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -8.608 -4.267 6.680 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -9.115 -5.246 5.283 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -10.108 -3.867 5.812 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -9.749 -4.487 8.853 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -11.311 -4.045 8.124 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -11.154 -5.563 9.040 1.00 0.00 H new ATOM 2498 N TYR A 164 -13.432 -8.403 5.223 1.00 -0.73 N ATOM 2499 CA TYR A 164 -14.450 -8.832 4.254 1.00 0.36 C ATOM 2500 C TYR A 164 -14.978 -10.232 4.597 1.00 0.57 C ATOM 2501 O TYR A 164 -15.464 -10.966 3.734 1.00 -0.57 O ATOM 2502 CB TYR A 164 -13.877 -8.793 2.828 1.00 0.14 C ATOM 2503 CG TYR A 164 -13.538 -7.404 2.333 1.00 -0.14 C ATOM 2504 CD1 TYR A 164 -12.334 -6.791 2.729 1.00 -0.15 C ATOM 2505 CD2 TYR A 164 -14.412 -6.740 1.451 1.00 -0.15 C ATOM 2506 CE1 TYR A 164 -12.008 -5.509 2.267 1.00 -0.15 C ATOM 2507 CE2 TYR A 164 -14.084 -5.466 0.963 1.00 -0.15 C ATOM 2508 CZ TYR A 164 -12.884 -4.847 1.380 1.00 0.08 C ATOM 2509 OH TYR A 164 -12.559 -3.610 0.933 1.00 -0.53 O ATOM 0 H TYR A 164 -12.534 -8.860 5.065 1.00 -0.73 H new ATOM 0 HA TYR A 164 -15.290 -8.140 4.306 1.00 0.36 H new ATOM 0 HB2 TYR A 164 -12.978 -9.408 2.793 1.00 0.14 H new ATOM 0 HB3 TYR A 164 -14.598 -9.243 2.146 1.00 0.14 H new ATOM 0 HD1 TYR A 164 -11.659 -7.311 3.392 1.00 -0.15 H new ATOM 0 HD2 TYR A 164 -15.336 -7.212 1.150 1.00 -0.15 H new ATOM 0 HE1 TYR A 164 -11.094 -5.031 2.587 1.00 -0.15 H new ATOM 0 HE2 TYR A 164 -14.744 -4.962 0.273 1.00 -0.15 H new ATOM 0 HH TYR A 164 -13.376 -3.118 0.709 1.00 -0.53 H new