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= 0.0371 K(o=0.28,f=-3.6!) USER MOD Set 1.2: A 124 HIS : no HD1:sc= 0.483 K(o=0.28,f=-4.1!) USER MOD Set 1.3: A 130 HIS : no HD1:sc= -0.245 X(o=0.28,f=0.47) USER MOD Set 2.1: A 69 HIS :FLIP no HD1:sc= -2.35 F(o=-4.1!,f=-2.8) USER MOD Set 2.2: A 97 HIS : no HD1:sc= -0.408 K(o=-2.8,f=-4.1) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0336 USER MOD Single : A 12 SER OG : rot -127:sc= 1.6 USER MOD Single : A 13 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.038) USER MOD Single : A 16 THR OG1 : rot 100:sc= -1.21 USER MOD Single : A 17 TYR OH : rot 165:sc= 1.06 USER MOD Single : A 21 SER OG : rot -175:sc= 1.24 USER MOD Single : A 22 TYR OH : rot 15:sc= 0.149 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.29 USER MOD Single : A 28 HIS : no HD1:sc= -0.31 X(o=-0.31,f=-0.42) USER MOD Single : A 30 THR OG1 : rot 180:sc=-0.00966 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) USER MOD Single : A 41 MET CE :methyl -166:sc=-0.00388 (180deg=-0.322) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= 0.171 K(o=0.17,f=-1.2) 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 -156:sc= 0 (180deg=-0.147) USER MOD Single : A 72 SER OG : rot 62:sc= 0.0929 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.151 K(o=-0.15,f=-1.4) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0204 USER MOD Single : A 84 HIS : no HD1:sc= -0.467 K(o=-0.47,f=-1.3) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -170:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -1.15 K(o=-1.1,f=-10!) USER MOD Single : A 116 TYR OH : rot 96:sc= 0.0545 USER MOD Single : A 119 THR OG1 : rot 85:sc= -0.701 USER MOD Single : A 125 SER OG : rot 109:sc= 0.917 USER MOD Single : A 128 MET CE :methyl -145:sc= -0.715 (180deg=-5.26!) USER MOD Single : A 131 SER OG : rot 120:sc= -0.0733 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 138 MET CE :methyl 165:sc= -0.969 (180deg=-1.44) 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 30:sc= 0.207 USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 149 ASN : amide:sc= 0.98 K(o=0.98,f=0) USER MOD Single : A 151 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0498) USER MOD Single : A 153 SER OG : rot -139:sc= 0.0217 USER MOD Single : A 154 GLN : amide:sc= -0.0284 K(o=-0.028,f=-1) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.16) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 109 N PRO A 8 -13.084 -0.486 7.636 1.00 -0.66 N ATOM 110 CA PRO A 8 -12.359 -0.942 6.467 1.00 0.36 C ATOM 111 C PRO A 8 -13.316 -1.118 5.289 1.00 0.57 C ATOM 112 O PRO A 8 -14.504 -1.361 5.502 1.00 -0.57 O ATOM 113 CB PRO A 8 -11.772 -2.287 6.860 1.00 0.00 C ATOM 114 CG PRO A 8 -12.620 -2.813 8.011 1.00 0.00 C ATOM 115 CD PRO A 8 -13.350 -1.587 8.551 1.00 0.30 C ATOM 0 HA PRO A 8 -11.591 -0.231 6.162 1.00 0.36 H new ATOM 0 HB2 PRO A 8 -11.790 -2.979 6.018 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.730 -2.181 7.163 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -13.323 -3.573 7.669 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -12.000 -3.275 8.780 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -14.421 -1.778 8.622 1.00 0.30 H new ATOM 0 HD3 PRO A 8 -13.003 -1.344 9.555 1.00 0.30 H new ATOM 123 N LYS A 9 -12.757 -1.085 4.068 1.00 -0.73 N ATOM 124 CA LYS A 9 -13.478 -1.179 2.802 1.00 0.36 C ATOM 125 C LYS A 9 -14.302 0.090 2.627 1.00 0.57 C ATOM 126 O LYS A 9 -15.263 0.332 3.356 1.00 -0.57 O ATOM 127 CB LYS A 9 -14.332 -2.470 2.722 1.00 0.00 C ATOM 128 CG LYS A 9 -14.329 -3.158 1.343 1.00 0.00 C ATOM 129 CD LYS A 9 -15.700 -3.124 0.653 1.00 0.00 C ATOM 130 CE LYS A 9 -16.681 -4.082 1.353 1.00 0.50 C ATOM 131 NZ LYS A 9 -18.093 -3.702 1.131 1.00 -0.85 N ATOM 0 H LYS A 9 -11.750 -0.988 3.938 1.00 -0.73 H new ATOM 0 HA LYS A 9 -12.772 -1.255 1.975 1.00 0.36 H new ATOM 0 HB2 LYS A 9 -13.968 -3.177 3.467 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -15.360 -2.227 2.990 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -13.594 -2.672 0.702 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.013 -4.195 1.461 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -16.098 -2.109 0.672 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -15.593 -3.405 -0.395 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -16.518 -5.096 0.987 1.00 0.50 H new ATOM 0 HE3 LYS A 9 -16.474 -4.092 2.423 1.00 0.50 H new ATOM 0 HZ1 LYS A 9 -18.715 -4.376 1.621 1.00 -0.85 H new ATOM 0 HZ2 LYS A 9 -18.258 -2.745 1.503 1.00 -0.85 H new ATOM 0 HZ3 LYS A 9 -18.301 -3.718 0.112 1.00 -0.85 H new ATOM 145 N TRP A 10 -13.900 0.923 1.666 1.00 -0.73 N ATOM 146 CA TRP A 10 -14.619 2.136 1.303 1.00 0.36 C ATOM 147 C TRP A 10 -16.116 1.841 1.115 1.00 0.57 C ATOM 148 O TRP A 10 -16.512 0.736 0.738 1.00 -0.57 O ATOM 149 CB TRP A 10 -13.984 2.741 0.041 1.00 0.18 C ATOM 150 CG TRP A 10 -12.501 2.969 0.108 1.00 -0.18 C ATOM 151 CD1 TRP A 10 -11.543 2.048 -0.161 1.00 -0.30 C ATOM 152 CD2 TRP A 10 -11.780 4.191 0.463 1.00 0.00 C ATOM 153 NE1 TRP A 10 -10.296 2.603 0.033 1.00 0.03 N ATOM 154 CE2 TRP A 10 -10.383 3.938 0.344 1.00 -0.15 C ATOM 155 CE3 TRP A 10 -12.160 5.489 0.873 1.00 -0.15 C ATOM 156 CZ2 TRP A 10 -9.417 4.919 0.581 1.00 -0.15 C ATOM 157 CZ3 TRP A 10 -11.196 6.485 1.122 1.00 -0.15 C ATOM 158 CH2 TRP A 10 -9.831 6.205 0.959 1.00 -0.15 C ATOM 0 H TRP A 10 -13.056 0.769 1.114 1.00 -0.73 H new ATOM 0 HA TRP A 10 -14.542 2.868 2.107 1.00 0.36 H new ATOM 0 HB2 TRP A 10 -14.195 2.083 -0.802 1.00 0.18 H new ATOM 0 HB3 TRP A 10 -14.471 3.693 -0.169 1.00 0.18 H new ATOM 0 HD1 TRP A 10 -11.729 1.033 -0.479 1.00 -0.30 H new ATOM 0 HE1 TRP A 10 -9.419 2.087 -0.045 1.00 0.03 H new ATOM 0 HE3 TRP A 10 -13.207 5.721 0.997 1.00 -0.15 H new ATOM 0 HZ2 TRP A 10 -8.367 4.691 0.475 1.00 -0.15 H new ATOM 0 HZ3 TRP A 10 -11.509 7.469 1.440 1.00 -0.15 H new ATOM 0 HH2 TRP A 10 -9.098 6.981 1.125 1.00 -0.15 H new ATOM 169 N THR A 11 -16.959 2.846 1.377 1.00 -0.73 N ATOM 170 CA THR A 11 -18.408 2.748 1.227 1.00 0.36 C ATOM 171 C THR A 11 -18.813 2.441 -0.226 1.00 0.57 C ATOM 172 O THR A 11 -19.872 1.858 -0.458 1.00 -0.57 O ATOM 173 CB THR A 11 -19.045 4.062 1.721 1.00 0.28 C ATOM 174 OG1 THR A 11 -18.323 5.171 1.215 1.00 -0.68 O ATOM 175 CG2 THR A 11 -19.036 4.152 3.253 1.00 0.00 C ATOM 0 H THR A 11 -16.646 3.760 1.703 1.00 -0.73 H new ATOM 0 HA THR A 11 -18.773 1.916 1.829 1.00 0.36 H new ATOM 0 HB THR A 11 -20.075 4.074 1.365 1.00 0.28 H new ATOM 0 HG1 THR A 11 -18.735 6.002 1.532 1.00 -0.68 H new ATOM 0 HG21 THR A 11 -19.493 5.091 3.565 1.00 0.00 H new ATOM 0 HG22 THR A 11 -19.601 3.318 3.670 1.00 0.00 H new ATOM 0 HG23 THR A 11 -18.008 4.111 3.614 1.00 0.00 H new ATOM 183 N SER A 12 -17.950 2.790 -1.185 1.00 -0.73 N ATOM 184 CA SER A 12 -18.060 2.446 -2.592 1.00 0.36 C ATOM 185 C SER A 12 -17.148 1.254 -2.908 1.00 0.57 C ATOM 186 O SER A 12 -16.096 1.070 -2.299 1.00 -0.57 O ATOM 187 CB SER A 12 -17.660 3.682 -3.411 1.00 0.28 C ATOM 188 OG SER A 12 -17.520 3.369 -4.781 1.00 -0.68 O ATOM 0 H SER A 12 -17.119 3.346 -0.984 1.00 -0.73 H new ATOM 0 HA SER A 12 -19.080 2.156 -2.843 1.00 0.36 H new ATOM 0 HB2 SER A 12 -18.413 4.460 -3.289 1.00 0.28 H new ATOM 0 HB3 SER A 12 -16.721 4.084 -3.030 1.00 0.28 H new ATOM 0 HG SER A 12 -16.645 3.674 -5.099 1.00 -0.68 H new ATOM 194 N LYS A 13 -17.534 0.477 -3.929 1.00 -0.73 N ATOM 195 CA LYS A 13 -16.737 -0.621 -4.489 1.00 0.36 C ATOM 196 C LYS A 13 -15.787 -0.157 -5.596 1.00 0.57 C ATOM 197 O LYS A 13 -14.979 -0.958 -6.067 1.00 -0.57 O ATOM 198 CB LYS A 13 -17.681 -1.715 -5.018 1.00 0.00 C ATOM 199 CG LYS A 13 -18.489 -1.295 -6.266 1.00 0.00 C ATOM 200 CD LYS A 13 -17.951 -1.908 -7.572 1.00 0.00 C ATOM 201 CE LYS A 13 -18.735 -1.433 -8.806 1.00 0.50 C ATOM 202 NZ LYS A 13 -20.174 -1.777 -8.752 1.00 -0.85 N ATOM 0 H LYS A 13 -18.431 0.598 -4.399 1.00 -0.73 H new ATOM 0 HA LYS A 13 -16.112 -1.018 -3.689 1.00 0.36 H new ATOM 0 HB2 LYS A 13 -17.095 -2.602 -5.258 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -18.375 -1.997 -4.226 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -19.529 -1.592 -6.134 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -18.476 -0.208 -6.350 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -16.900 -1.644 -7.688 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -18.002 -2.995 -7.508 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -18.630 -0.352 -8.901 1.00 0.50 H new ATOM 0 HE3 LYS A 13 -18.296 -1.876 -9.700 1.00 0.50 H new ATOM 0 HZ1 LYS A 13 -20.630 -1.506 -9.647 1.00 -0.85 H new ATOM 0 HZ2 LYS A 13 -20.281 -2.801 -8.605 1.00 -0.85 H new ATOM 0 HZ3 LYS A 13 -20.624 -1.266 -7.966 1.00 -0.85 H new ATOM 216 N VAL A 14 -15.919 1.103 -6.028 1.00 -0.73 N ATOM 217 CA VAL A 14 -15.083 1.736 -7.027 1.00 0.36 C ATOM 218 C VAL A 14 -14.373 2.862 -6.285 1.00 0.57 C ATOM 219 O VAL A 14 -15.026 3.743 -5.717 1.00 -0.57 O ATOM 220 CB VAL A 14 -15.893 2.163 -8.275 1.00 0.00 C ATOM 221 CG1 VAL A 14 -16.986 3.219 -8.040 1.00 0.00 C ATOM 222 CG2 VAL A 14 -14.953 2.658 -9.385 1.00 0.00 C ATOM 0 H VAL A 14 -16.644 1.725 -5.670 1.00 -0.73 H new ATOM 0 HA VAL A 14 -14.343 1.062 -7.459 1.00 0.36 H new ATOM 0 HB VAL A 14 -16.419 1.254 -8.568 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -17.487 3.440 -8.983 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -17.713 2.837 -7.324 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -16.534 4.130 -7.647 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -15.540 2.954 -10.254 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -14.383 3.514 -9.024 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -14.268 1.858 -9.665 1.00 0.00 H new ATOM 232 N VAL A 15 -13.043 2.787 -6.251 1.00 -0.73 N ATOM 233 CA VAL A 15 -12.201 3.761 -5.574 1.00 0.36 C ATOM 234 C VAL A 15 -11.246 4.341 -6.617 1.00 0.57 C ATOM 235 O VAL A 15 -10.798 3.617 -7.508 1.00 -0.57 O ATOM 236 CB VAL A 15 -11.522 3.085 -4.360 1.00 0.00 C ATOM 237 CG1 VAL A 15 -10.291 2.233 -4.711 1.00 0.00 C ATOM 238 CG2 VAL A 15 -11.122 4.150 -3.349 1.00 0.00 C ATOM 0 H VAL A 15 -12.517 2.037 -6.700 1.00 -0.73 H new ATOM 0 HA VAL A 15 -12.760 4.599 -5.156 1.00 0.36 H new ATOM 0 HB VAL A 15 -12.260 2.396 -3.948 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.879 1.797 -3.801 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.583 1.436 -5.395 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.537 2.861 -5.186 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.643 3.676 -2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.426 4.849 -3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -12.010 4.688 -3.017 1.00 0.00 H new ATOM 248 N THR A 16 -10.938 5.635 -6.554 1.00 -0.73 N ATOM 249 CA THR A 16 -10.108 6.263 -7.572 1.00 0.36 C ATOM 250 C THR A 16 -8.735 6.605 -7.003 1.00 0.57 C ATOM 251 O THR A 16 -8.590 6.888 -5.809 1.00 -0.57 O ATOM 252 CB THR A 16 -10.841 7.420 -8.269 1.00 0.28 C ATOM 253 OG1 THR A 16 -9.946 8.079 -9.138 1.00 -0.68 O ATOM 254 CG2 THR A 16 -11.502 8.437 -7.336 1.00 0.00 C ATOM 0 H THR A 16 -11.250 6.263 -5.813 1.00 -0.73 H new ATOM 0 HA THR A 16 -9.917 5.553 -8.377 1.00 0.36 H new ATOM 0 HB THR A 16 -11.666 6.960 -8.812 1.00 0.28 H new ATOM 0 HG1 THR A 16 -10.096 7.772 -10.057 1.00 -0.68 H new ATOM 0 HG21 THR A 16 -11.991 9.210 -7.929 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.243 7.933 -6.715 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.744 8.893 -6.699 1.00 0.00 H new ATOM 262 N TYR A 17 -7.725 6.590 -7.879 1.00 -0.73 N ATOM 263 CA TYR A 17 -6.349 6.853 -7.512 1.00 0.36 C ATOM 264 C TYR A 17 -5.746 7.945 -8.387 1.00 0.57 C ATOM 265 O TYR A 17 -6.091 8.087 -9.563 1.00 -0.57 O ATOM 266 CB TYR A 17 -5.536 5.546 -7.538 1.00 0.14 C ATOM 267 CG TYR A 17 -5.239 4.961 -8.905 1.00 -0.14 C ATOM 268 CD1 TYR A 17 -6.131 4.042 -9.486 1.00 -0.15 C ATOM 269 CD2 TYR A 17 -4.058 5.317 -9.586 1.00 -0.15 C ATOM 270 CE1 TYR A 17 -5.877 3.520 -10.766 1.00 -0.15 C ATOM 271 CE2 TYR A 17 -3.784 4.779 -10.857 1.00 -0.15 C ATOM 272 CZ TYR A 17 -4.703 3.887 -11.461 1.00 0.08 C ATOM 273 OH TYR A 17 -4.475 3.388 -12.709 1.00 -0.53 O ATOM 0 H TYR A 17 -7.852 6.392 -8.871 1.00 -0.73 H new ATOM 0 HA TYR A 17 -6.317 7.233 -6.491 1.00 0.36 H new ATOM 0 HB2 TYR A 17 -4.588 5.724 -7.030 1.00 0.14 H new ATOM 0 HB3 TYR A 17 -6.074 4.798 -6.956 1.00 0.14 H new ATOM 0 HD1 TYR A 17 -7.015 3.736 -8.946 1.00 -0.15 H new ATOM 0 HD2 TYR A 17 -3.361 6.005 -9.131 1.00 -0.15 H new ATOM 0 HE1 TYR A 17 -6.580 2.837 -11.219 1.00 -0.15 H new ATOM 0 HE2 TYR A 17 -2.873 5.046 -11.372 1.00 -0.15 H new ATOM 0 HH TYR A 17 -3.768 3.908 -13.145 1.00 -0.53 H new ATOM 283 N ARG A 18 -4.815 8.710 -7.800 1.00 -0.73 N ATOM 284 CA ARG A 18 -4.044 9.709 -8.529 1.00 0.36 C ATOM 285 C ARG A 18 -2.647 9.748 -7.957 1.00 0.57 C ATOM 286 O ARG A 18 -2.431 10.146 -6.813 1.00 -0.57 O ATOM 287 CB ARG A 18 -4.704 11.102 -8.488 1.00 0.00 C ATOM 288 CG ARG A 18 -4.425 11.909 -9.773 1.00 0.00 C ATOM 289 CD ARG A 18 -3.034 12.558 -9.848 1.00 0.33 C ATOM 290 NE ARG A 18 -2.717 13.008 -11.217 1.00 -0.84 N ATOM 291 CZ ARG A 18 -2.092 12.290 -12.170 1.00 1.20 C ATOM 292 NH1 ARG A 18 -1.610 11.077 -11.914 1.00 -0.97 N ATOM 293 NH2 ARG A 18 -1.927 12.799 -13.390 1.00 -0.97 N ATOM 0 H ARG A 18 -4.581 8.649 -6.809 1.00 -0.73 H new ATOM 0 HA ARG A 18 -4.007 9.426 -9.581 1.00 0.36 H new ATOM 0 HB2 ARG A 18 -5.780 10.990 -8.356 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.333 11.654 -7.625 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.547 11.249 -10.632 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.179 12.691 -9.863 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.991 13.407 -9.166 1.00 0.33 H new ATOM 0 HD3 ARG A 18 -2.280 11.844 -9.516 1.00 0.33 H new ATOM 0 HE ARG A 18 -2.999 13.956 -11.466 1.00 -0.84 H new ATOM 0 HH11 ARG A 18 -1.711 10.674 -10.982 1.00 -0.97 H new ATOM 0 HH12 ARG A 18 -1.140 10.549 -12.650 1.00 -0.97 H new ATOM 0 HH21 ARG A 18 -2.274 13.734 -13.604 1.00 -0.97 H new ATOM 0 HH22 ARG A 18 -1.453 12.254 -14.110 1.00 -0.97 H new ATOM 307 N ILE A 19 -1.688 9.353 -8.783 1.00 -0.73 N ATOM 308 CA ILE A 19 -0.285 9.440 -8.449 1.00 0.36 C ATOM 309 C ILE A 19 0.131 10.905 -8.719 1.00 0.57 C ATOM 310 O ILE A 19 0.407 11.259 -9.860 1.00 -0.57 O ATOM 311 CB ILE A 19 0.479 8.350 -9.232 1.00 0.00 C ATOM 312 CG1 ILE A 19 -0.102 6.918 -9.092 1.00 0.00 C ATOM 313 CG2 ILE A 19 1.936 8.315 -8.771 1.00 0.00 C ATOM 314 CD1 ILE A 19 0.037 6.123 -10.393 1.00 0.00 C ATOM 0 H ILE A 19 -1.869 8.962 -9.707 1.00 -0.73 H new ATOM 0 HA ILE A 19 -0.048 9.233 -7.405 1.00 0.36 H new ATOM 0 HB ILE A 19 0.381 8.630 -10.281 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.413 6.393 -8.287 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.154 6.977 -8.812 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.474 7.545 -9.324 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.399 9.285 -8.954 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.975 8.090 -7.705 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.381 5.126 -10.256 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.500 6.635 -11.191 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.091 6.042 -10.659 1.00 0.00 H new ATOM 326 N VAL A 20 0.004 11.798 -7.726 1.00 -0.73 N ATOM 327 CA VAL A 20 0.237 13.252 -7.862 1.00 0.36 C ATOM 328 C VAL A 20 1.707 13.616 -8.086 1.00 0.57 C ATOM 329 O VAL A 20 2.010 14.633 -8.715 1.00 -0.57 O ATOM 330 CB VAL A 20 -0.248 14.027 -6.615 1.00 0.00 C ATOM 331 CG1 VAL A 20 -1.768 14.209 -6.620 1.00 0.00 C ATOM 332 CG2 VAL A 20 0.197 13.402 -5.279 1.00 0.00 C ATOM 0 H VAL A 20 -0.270 11.527 -6.782 1.00 -0.73 H new ATOM 0 HA VAL A 20 -0.336 13.538 -8.744 1.00 0.36 H new ATOM 0 HB VAL A 20 0.235 15.002 -6.686 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.072 14.758 -5.729 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.065 14.767 -7.508 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.251 13.232 -6.627 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.182 14.003 -4.452 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.197 12.389 -5.202 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.286 13.372 -5.236 1.00 0.00 H new ATOM 342 N SER A 21 2.610 12.811 -7.535 1.00 -0.73 N ATOM 343 CA SER A 21 4.056 12.905 -7.672 1.00 0.36 C ATOM 344 C SER A 21 4.497 11.478 -7.987 1.00 0.57 C ATOM 345 O SER A 21 3.750 10.538 -7.709 1.00 -0.57 O ATOM 346 CB SER A 21 4.668 13.525 -6.393 1.00 0.28 C ATOM 347 OG SER A 21 5.755 12.805 -5.857 1.00 -0.68 O ATOM 0 H SER A 21 2.332 12.027 -6.944 1.00 -0.73 H new ATOM 0 HA SER A 21 4.399 13.570 -8.465 1.00 0.36 H new ATOM 0 HB2 SER A 21 4.996 14.540 -6.618 1.00 0.28 H new ATOM 0 HB3 SER A 21 3.890 13.602 -5.634 1.00 0.28 H new ATOM 0 HG SER A 21 6.038 13.218 -5.015 1.00 -0.68 H new ATOM 353 N TYR A 22 5.688 11.310 -8.556 1.00 -0.73 N ATOM 354 CA TYR A 22 6.201 10.034 -9.038 1.00 0.36 C ATOM 355 C TYR A 22 7.660 9.897 -8.584 1.00 0.57 C ATOM 356 O TYR A 22 8.188 10.779 -7.906 1.00 -0.57 O ATOM 357 CB TYR A 22 6.052 9.972 -10.571 1.00 0.14 C ATOM 358 CG TYR A 22 4.625 9.861 -11.088 1.00 -0.14 C ATOM 359 CD1 TYR A 22 4.046 8.592 -11.283 1.00 -0.15 C ATOM 360 CD2 TYR A 22 3.892 11.016 -11.429 1.00 -0.15 C ATOM 361 CE1 TYR A 22 2.763 8.471 -11.849 1.00 -0.15 C ATOM 362 CE2 TYR A 22 2.601 10.903 -11.979 1.00 -0.15 C ATOM 363 CZ TYR A 22 2.032 9.628 -12.207 1.00 0.08 C ATOM 364 OH TYR A 22 0.784 9.515 -12.762 1.00 -0.53 O ATOM 0 H TYR A 22 6.340 12.081 -8.698 1.00 -0.73 H new ATOM 0 HA TYR A 22 5.638 9.197 -8.625 1.00 0.36 H new ATOM 0 HB2 TYR A 22 6.506 10.866 -10.999 1.00 0.14 H new ATOM 0 HB3 TYR A 22 6.621 9.118 -10.939 1.00 0.14 H new ATOM 0 HD1 TYR A 22 4.591 7.705 -10.996 1.00 -0.15 H new ATOM 0 HD2 TYR A 22 4.323 11.993 -11.267 1.00 -0.15 H new ATOM 0 HE1 TYR A 22 2.336 7.492 -12.010 1.00 -0.15 H new ATOM 0 HE2 TYR A 22 2.043 11.793 -12.228 1.00 -0.15 H new ATOM 0 HH TYR A 22 0.447 8.605 -12.627 1.00 -0.53 H new ATOM 374 N THR A 23 8.304 8.790 -8.958 1.00 -0.73 N ATOM 375 CA THR A 23 9.722 8.549 -8.714 1.00 0.36 C ATOM 376 C THR A 23 10.535 8.903 -9.971 1.00 0.57 C ATOM 377 O THR A 23 10.050 9.604 -10.862 1.00 -0.57 O ATOM 378 CB THR A 23 9.903 7.105 -8.205 1.00 0.28 C ATOM 379 OG1 THR A 23 11.219 6.910 -7.723 1.00 -0.68 O ATOM 380 CG2 THR A 23 9.634 6.040 -9.274 1.00 0.00 C ATOM 0 H THR A 23 7.843 8.023 -9.448 1.00 -0.73 H new ATOM 0 HA THR A 23 10.113 9.198 -7.930 1.00 0.36 H new ATOM 0 HB THR A 23 9.166 6.985 -7.411 1.00 0.28 H new ATOM 0 HG1 THR A 23 11.317 5.989 -7.402 1.00 -0.68 H new ATOM 0 HG21 THR A 23 9.780 5.049 -8.845 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.608 6.133 -9.630 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.322 6.180 -10.108 1.00 0.00 H new ATOM 388 N ARG A 24 11.780 8.413 -10.043 1.00 -0.73 N ATOM 389 CA ARG A 24 12.684 8.667 -11.162 1.00 0.36 C ATOM 390 C ARG A 24 13.450 7.432 -11.637 1.00 0.57 C ATOM 391 O ARG A 24 13.740 7.347 -12.832 1.00 -0.57 O ATOM 392 CB ARG A 24 13.665 9.779 -10.766 1.00 0.00 C ATOM 393 CG ARG A 24 14.147 10.519 -12.016 1.00 0.00 C ATOM 394 CD ARG A 24 15.259 11.509 -11.662 1.00 0.33 C ATOM 395 NE ARG A 24 15.863 12.102 -12.869 1.00 -0.84 N ATOM 396 CZ ARG A 24 16.730 11.489 -13.691 1.00 1.20 C ATOM 397 NH1 ARG A 24 17.103 10.227 -13.468 1.00 -0.97 N ATOM 398 NH2 ARG A 24 17.223 12.152 -14.737 1.00 -0.97 N ATOM 0 H ARG A 24 12.187 7.824 -9.317 1.00 -0.73 H new ATOM 0 HA ARG A 24 12.066 8.972 -12.007 1.00 0.36 H new ATOM 0 HB2 ARG A 24 13.180 10.477 -10.084 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.516 9.353 -10.234 1.00 0.00 H new ATOM 0 HG2 ARG A 24 14.512 9.802 -12.751 1.00 0.00 H new ATOM 0 HG3 ARG A 24 13.313 11.050 -12.475 1.00 0.00 H new ATOM 0 HD2 ARG A 24 14.855 12.300 -11.031 1.00 0.33 H new ATOM 0 HD3 ARG A 24 16.029 11.000 -11.082 1.00 0.33 H new ATOM 0 HE ARG A 24 15.600 13.060 -13.099 1.00 -0.84 H new ATOM 0 HH11 ARG A 24 16.729 9.719 -12.667 1.00 -0.97 H new ATOM 0 HH12 ARG A 24 17.762 9.771 -14.099 1.00 -0.97 H new ATOM 0 HH21 ARG A 24 16.941 13.117 -14.908 1.00 -0.97 H new ATOM 0 HH22 ARG A 24 17.882 11.694 -15.366 1.00 -0.97 H new ATOM 412 N ASP A 25 13.764 6.496 -10.729 1.00 -0.73 N ATOM 413 CA ASP A 25 14.473 5.242 -11.026 1.00 0.36 C ATOM 414 C ASP A 25 13.740 4.475 -12.150 1.00 0.57 C ATOM 415 O ASP A 25 14.335 4.004 -13.122 1.00 -0.57 O ATOM 416 CB ASP A 25 14.583 4.435 -9.712 1.00 0.06 C ATOM 417 CG ASP A 25 15.734 3.412 -9.722 1.00 0.66 C ATOM 418 OD1 ASP A 25 15.664 2.495 -10.524 1.00 -0.57 O ATOM 419 OD2 ASP A 25 16.767 3.623 -8.911 1.00 -0.65 O ATOM 0 H ASP A 25 13.526 6.593 -9.742 1.00 -0.73 H new ATOM 0 HA ASP A 25 15.481 5.431 -11.396 1.00 0.36 H new ATOM 0 HB2 ASP A 25 14.726 5.125 -8.880 1.00 0.06 H new ATOM 0 HB3 ASP A 25 13.643 3.913 -9.534 1.00 0.06 H new ATOM 425 N LEU A 26 12.405 4.516 -12.094 1.00 -0.73 N ATOM 426 CA LEU A 26 11.463 3.845 -12.982 1.00 0.36 C ATOM 427 C LEU A 26 10.378 4.834 -13.435 1.00 0.57 C ATOM 428 O LEU A 26 10.112 5.810 -12.729 1.00 -0.57 O ATOM 429 CB LEU A 26 10.845 2.611 -12.294 1.00 0.00 C ATOM 430 CG LEU A 26 10.492 2.768 -10.794 1.00 0.00 C ATOM 431 CD1 LEU A 26 9.011 2.522 -10.521 1.00 0.00 C ATOM 432 CD2 LEU A 26 11.323 1.809 -9.950 1.00 0.00 C ATOM 0 H LEU A 26 11.925 5.058 -11.375 1.00 -0.73 H new ATOM 0 HA LEU A 26 11.998 3.493 -13.864 1.00 0.36 H new ATOM 0 HB2 LEU A 26 9.938 2.337 -12.832 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.540 1.778 -12.397 1.00 0.00 H new ATOM 0 HG LEU A 26 10.720 3.798 -10.522 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.812 2.643 -9.456 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.413 3.237 -11.086 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.748 1.509 -10.826 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.063 1.931 -8.898 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.119 0.783 -10.257 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.382 2.025 -10.090 1.00 0.00 H new ATOM 444 N PRO A 27 9.764 4.622 -14.617 1.00 -0.66 N ATOM 445 CA PRO A 27 8.799 5.554 -15.183 1.00 0.36 C ATOM 446 C PRO A 27 7.427 5.513 -14.488 1.00 0.57 C ATOM 447 O PRO A 27 7.016 4.512 -13.900 1.00 -0.57 O ATOM 448 CB PRO A 27 8.699 5.190 -16.668 1.00 0.00 C ATOM 449 CG PRO A 27 9.188 3.748 -16.779 1.00 0.00 C ATOM 450 CD PRO A 27 10.020 3.508 -15.522 1.00 0.30 C ATOM 0 HA PRO A 27 9.133 6.581 -15.037 1.00 0.36 H new ATOM 0 HB2 PRO A 27 7.673 5.283 -17.025 1.00 0.00 H new ATOM 0 HB3 PRO A 27 9.310 5.858 -17.276 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.351 3.052 -16.836 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.785 3.603 -17.680 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.747 2.562 -15.055 1.00 0.30 H new ATOM 0 HD3 PRO A 27 11.080 3.448 -15.768 1.00 0.30 H new ATOM 458 N HIS A 28 6.675 6.605 -14.635 1.00 -0.73 N ATOM 459 CA HIS A 28 5.334 6.774 -14.079 1.00 0.36 C ATOM 460 C HIS A 28 4.319 5.765 -14.632 1.00 0.57 C ATOM 461 O HIS A 28 3.451 5.294 -13.899 1.00 -0.57 O ATOM 462 CB HIS A 28 4.859 8.210 -14.353 1.00 0.17 C ATOM 463 CG HIS A 28 5.088 8.712 -15.754 1.00 0.18 C ATOM 464 ND1 HIS A 28 4.333 8.408 -16.864 1.00 -0.70 N ATOM 465 CD2 HIS A 28 6.070 9.578 -16.155 1.00 0.20 C ATOM 466 CE1 HIS A 28 4.862 9.068 -17.910 1.00 0.65 C ATOM 467 NE2 HIS A 28 5.930 9.786 -17.531 1.00 -0.70 N ATOM 0 H HIS A 28 6.993 7.420 -15.160 1.00 -0.73 H new ATOM 0 HA HIS A 28 5.396 6.586 -13.007 1.00 0.36 H new ATOM 0 HB2 HIS A 28 3.793 8.269 -14.134 1.00 0.17 H new ATOM 0 HB3 HIS A 28 5.365 8.880 -13.658 1.00 0.17 H new ATOM 0 HD2 HIS A 28 6.822 10.023 -15.520 1.00 0.20 H new ATOM 0 HE1 HIS A 28 4.479 9.026 -18.919 1.00 0.65 H new ATOM 0 HE2 HIS A 28 6.521 10.367 -18.126 1.00 -0.70 H new ATOM 476 N ILE A 29 4.431 5.422 -15.920 1.00 -0.73 N ATOM 477 CA ILE A 29 3.579 4.421 -16.555 1.00 0.36 C ATOM 478 C ILE A 29 3.840 3.036 -15.956 1.00 0.57 C ATOM 479 O ILE A 29 2.894 2.276 -15.754 1.00 -0.57 O ATOM 480 CB ILE A 29 3.764 4.467 -18.087 1.00 0.00 C ATOM 481 CG1 ILE A 29 2.821 3.471 -18.795 1.00 0.00 C ATOM 482 CG2 ILE A 29 5.225 4.247 -18.527 1.00 0.00 C ATOM 483 CD1 ILE A 29 2.569 3.888 -20.251 1.00 0.00 C ATOM 0 H ILE A 29 5.119 5.835 -16.550 1.00 -0.73 H new ATOM 0 HA ILE A 29 2.532 4.647 -16.356 1.00 0.36 H new ATOM 0 HB ILE A 29 3.496 5.478 -18.394 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.257 2.472 -18.770 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.873 3.419 -18.259 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.288 4.291 -19.614 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.856 5.024 -18.095 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.565 3.270 -18.183 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.902 3.168 -20.725 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.111 4.877 -20.272 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.516 3.915 -20.791 1.00 0.00 H new ATOM 495 N THR A 30 5.103 2.734 -15.631 1.00 -0.73 N ATOM 496 CA THR A 30 5.463 1.537 -14.900 1.00 0.36 C ATOM 497 C THR A 30 4.819 1.613 -13.520 1.00 0.57 C ATOM 498 O THR A 30 4.153 0.651 -13.167 1.00 -0.57 O ATOM 499 CB THR A 30 6.994 1.372 -14.877 1.00 0.28 C ATOM 500 OG1 THR A 30 7.435 0.803 -16.098 1.00 -0.68 O ATOM 501 CG2 THR A 30 7.546 0.498 -13.757 1.00 0.00 C ATOM 0 H THR A 30 5.900 3.323 -15.874 1.00 -0.73 H new ATOM 0 HA THR A 30 5.085 0.637 -15.386 1.00 0.36 H new ATOM 0 HB THR A 30 7.368 2.383 -14.712 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.410 0.702 -16.079 1.00 -0.68 H new ATOM 0 HG21 THR A 30 8.632 0.450 -13.835 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.270 0.925 -12.793 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.131 -0.507 -13.841 1.00 0.00 H new ATOM 509 N VAL A 31 4.917 2.734 -12.784 1.00 -0.73 N ATOM 510 CA VAL A 31 4.234 2.864 -11.493 1.00 0.36 C ATOM 511 C VAL A 31 2.745 2.551 -11.634 1.00 0.57 C ATOM 512 O VAL A 31 2.263 1.733 -10.864 1.00 -0.57 O ATOM 513 CB VAL A 31 4.483 4.236 -10.823 1.00 0.00 C ATOM 514 CG1 VAL A 31 3.526 4.498 -9.650 1.00 0.00 C ATOM 515 CG2 VAL A 31 5.925 4.315 -10.318 1.00 0.00 C ATOM 0 H VAL A 31 5.458 3.553 -13.061 1.00 -0.73 H new ATOM 0 HA VAL A 31 4.668 2.124 -10.820 1.00 0.36 H new ATOM 0 HB VAL A 31 4.301 4.998 -11.581 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.743 5.474 -9.215 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.497 4.481 -10.009 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.659 3.725 -8.893 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.093 5.284 -9.847 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.099 3.523 -9.590 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.611 4.195 -11.156 1.00 0.00 H new ATOM 525 N ASP A 32 2.025 3.145 -12.595 1.00 -0.73 N ATOM 526 CA ASP A 32 0.591 2.891 -12.785 1.00 0.36 C ATOM 527 C ASP A 32 0.307 1.420 -13.115 1.00 0.57 C ATOM 528 O ASP A 32 -0.559 0.809 -12.486 1.00 -0.57 O ATOM 529 CB ASP A 32 0.056 3.825 -13.878 1.00 0.06 C ATOM 530 CG ASP A 32 -1.385 3.499 -14.291 1.00 0.66 C ATOM 531 OD1 ASP A 32 -2.295 3.959 -13.620 1.00 -0.57 O ATOM 532 OD2 ASP A 32 -1.556 2.762 -15.385 1.00 -0.65 O ATOM 0 H ASP A 32 2.418 3.812 -13.259 1.00 -0.73 H new ATOM 0 HA ASP A 32 0.072 3.099 -11.849 1.00 0.36 H new ATOM 0 HB2 ASP A 32 0.103 4.855 -13.523 1.00 0.06 H new ATOM 0 HB3 ASP A 32 0.703 3.760 -14.753 1.00 0.06 H new ATOM 538 N ARG A 33 1.068 0.814 -14.037 1.00 -0.73 N ATOM 539 CA ARG A 33 0.918 -0.603 -14.392 1.00 0.36 C ATOM 540 C ARG A 33 1.181 -1.510 -13.197 1.00 0.57 C ATOM 541 O ARG A 33 0.428 -2.459 -12.961 1.00 -0.57 O ATOM 542 CB ARG A 33 1.886 -0.969 -15.536 1.00 0.00 C ATOM 543 CG ARG A 33 1.160 -1.248 -16.863 1.00 0.00 C ATOM 544 CD ARG A 33 1.738 -0.470 -18.052 1.00 0.33 C ATOM 545 NE ARG A 33 0.711 0.387 -18.668 1.00 -0.84 N ATOM 546 CZ ARG A 33 0.721 0.822 -19.934 1.00 1.20 C ATOM 547 NH1 ARG A 33 1.701 0.465 -20.766 1.00 -0.97 N ATOM 548 NH2 ARG A 33 -0.248 1.631 -20.360 1.00 -0.97 N ATOM 0 H ARG A 33 1.804 1.292 -14.557 1.00 -0.73 H new ATOM 0 HA ARG A 33 -0.111 -0.754 -14.717 1.00 0.36 H new ATOM 0 HB2 ARG A 33 2.596 -0.155 -15.680 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.463 -1.849 -15.251 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.211 -2.315 -17.078 1.00 0.00 H new ATOM 0 HG3 ARG A 33 0.106 -0.995 -16.751 1.00 0.00 H new ATOM 0 HD2 ARG A 33 2.576 0.142 -17.719 1.00 0.33 H new ATOM 0 HD3 ARG A 33 2.128 -1.168 -18.793 1.00 0.33 H new ATOM 0 HE ARG A 33 -0.073 0.673 -18.081 1.00 -0.84 H new ATOM 0 HH11 ARG A 33 2.451 -0.144 -20.439 1.00 -0.97 H new ATOM 0 HH12 ARG A 33 1.700 0.801 -21.729 1.00 -0.97 H new ATOM 0 HH21 ARG A 33 -0.992 1.916 -19.723 1.00 -0.97 H new ATOM 0 HH22 ARG A 33 -0.246 1.966 -21.323 1.00 -0.97 H new ATOM 562 N LEU A 34 2.256 -1.224 -12.465 1.00 -0.73 N ATOM 563 CA LEU A 34 2.645 -1.952 -11.276 1.00 0.36 C ATOM 564 C LEU A 34 1.583 -1.758 -10.205 1.00 0.57 C ATOM 565 O LEU A 34 1.185 -2.755 -9.620 1.00 -0.57 O ATOM 566 CB LEU A 34 4.041 -1.502 -10.812 1.00 0.00 C ATOM 567 CG LEU A 34 5.194 -2.352 -11.399 1.00 0.00 C ATOM 568 CD1 LEU A 34 5.192 -2.515 -12.926 1.00 0.00 C ATOM 569 CD2 LEU A 34 6.522 -1.764 -10.919 1.00 0.00 C ATOM 0 H LEU A 34 2.891 -0.459 -12.695 1.00 -0.73 H new ATOM 0 HA LEU A 34 2.714 -3.019 -11.489 1.00 0.36 H new ATOM 0 HB2 LEU A 34 4.190 -0.460 -11.094 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.085 -1.547 -9.724 1.00 0.00 H new ATOM 0 HG LEU A 34 5.044 -3.366 -11.029 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.042 -3.127 -13.228 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.267 -2.999 -13.239 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.266 -1.535 -13.397 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.347 -2.351 -11.323 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.608 -0.733 -11.261 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.558 -1.789 -9.830 1.00 0.00 H new ATOM 581 N VAL A 35 1.051 -0.548 -9.992 1.00 -0.73 N ATOM 582 CA VAL A 35 -0.083 -0.305 -9.102 1.00 0.36 C ATOM 583 C VAL A 35 -1.275 -1.154 -9.535 1.00 0.57 C ATOM 584 O VAL A 35 -1.875 -1.799 -8.681 1.00 -0.57 O ATOM 585 CB VAL A 35 -0.398 1.214 -8.990 1.00 0.00 C ATOM 586 CG1 VAL A 35 -1.871 1.619 -9.161 1.00 0.00 C ATOM 587 CG2 VAL A 35 0.095 1.727 -7.628 1.00 0.00 C ATOM 0 H VAL A 35 1.403 0.298 -10.440 1.00 -0.73 H new ATOM 0 HA VAL A 35 0.173 -0.618 -8.090 1.00 0.36 H new ATOM 0 HB VAL A 35 0.123 1.669 -9.833 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.965 2.700 -9.062 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.220 1.313 -10.147 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.474 1.131 -8.395 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.122 2.792 -7.540 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.413 1.186 -6.830 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.170 1.568 -7.547 1.00 0.00 H new ATOM 597 N SER A 36 -1.593 -1.214 -10.834 1.00 -0.73 N ATOM 598 CA SER A 36 -2.713 -2.007 -11.327 1.00 0.36 C ATOM 599 C SER A 36 -2.497 -3.488 -11.011 1.00 0.57 C ATOM 600 O SER A 36 -3.408 -4.133 -10.502 1.00 -0.57 O ATOM 601 CB SER A 36 -2.906 -1.781 -12.836 1.00 0.28 C ATOM 602 OG SER A 36 -4.240 -1.424 -13.133 1.00 -0.68 O ATOM 0 H SER A 36 -1.082 -0.716 -11.563 1.00 -0.73 H new ATOM 0 HA SER A 36 -3.623 -1.685 -10.820 1.00 0.36 H new ATOM 0 HB2 SER A 36 -2.232 -0.996 -13.178 1.00 0.28 H new ATOM 0 HB3 SER A 36 -2.640 -2.688 -13.379 1.00 0.28 H new ATOM 0 HG SER A 36 -4.334 -1.285 -14.098 1.00 -0.68 H new ATOM 608 N LYS A 37 -1.297 -4.029 -11.264 1.00 -0.73 N ATOM 609 CA LYS A 37 -0.957 -5.429 -10.996 1.00 0.36 C ATOM 610 C LYS A 37 -0.853 -5.728 -9.495 1.00 0.57 C ATOM 611 O LYS A 37 -1.282 -6.802 -9.073 1.00 -0.57 O ATOM 612 CB LYS A 37 0.354 -5.759 -11.727 1.00 0.00 C ATOM 613 CG LYS A 37 0.080 -6.066 -13.213 1.00 0.00 C ATOM 614 CD LYS A 37 1.295 -5.787 -14.117 1.00 0.00 C ATOM 615 CE LYS A 37 1.871 -7.071 -14.727 1.00 0.50 C ATOM 616 NZ LYS A 37 3.338 -6.988 -14.875 1.00 -0.85 N ATOM 0 H LYS A 37 -0.526 -3.497 -11.666 1.00 -0.73 H new ATOM 0 HA LYS A 37 -1.760 -6.065 -11.369 1.00 0.36 H new ATOM 0 HB2 LYS A 37 1.045 -4.920 -11.644 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.835 -6.616 -11.255 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.210 -7.112 -13.315 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.765 -5.466 -13.553 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.002 -5.107 -14.917 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.069 -5.283 -13.538 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.615 -7.922 -14.095 1.00 0.50 H new ATOM 0 HE3 LYS A 37 1.415 -7.249 -15.701 1.00 0.50 H new ATOM 0 HZ1 LYS A 37 3.696 -7.872 -15.290 1.00 -0.85 H new ATOM 0 HZ2 LYS A 37 3.580 -6.191 -15.497 1.00 -0.85 H new ATOM 0 HZ3 LYS A 37 3.773 -6.843 -13.942 1.00 -0.85 H new ATOM 630 N ALA A 38 -0.331 -4.795 -8.700 1.00 -0.73 N ATOM 631 CA ALA A 38 -0.241 -4.858 -7.245 1.00 0.36 C ATOM 632 C ALA A 38 -1.628 -4.861 -6.614 1.00 0.57 C ATOM 633 O ALA A 38 -1.938 -5.707 -5.776 1.00 -0.57 O ATOM 634 CB ALA A 38 0.539 -3.634 -6.754 1.00 0.00 C ATOM 0 H ALA A 38 0.060 -3.931 -9.075 1.00 -0.73 H new ATOM 0 HA ALA A 38 0.266 -5.779 -6.957 1.00 0.36 H new ATOM 0 HB1 ALA A 38 0.617 -3.664 -5.667 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.538 -3.641 -7.189 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.018 -2.725 -7.056 1.00 0.00 H new ATOM 640 N LEU A 39 -2.487 -3.937 -7.046 1.00 -0.73 N ATOM 641 CA LEU A 39 -3.876 -3.900 -6.625 1.00 0.36 C ATOM 642 C LEU A 39 -4.638 -5.100 -7.168 1.00 0.57 C ATOM 643 O LEU A 39 -5.545 -5.567 -6.486 1.00 -0.57 O ATOM 644 CB LEU A 39 -4.545 -2.598 -7.075 1.00 0.00 C ATOM 645 CG LEU A 39 -4.131 -1.383 -6.225 1.00 0.00 C ATOM 646 CD1 LEU A 39 -4.680 -0.107 -6.871 1.00 0.00 C ATOM 647 CD2 LEU A 39 -4.670 -1.505 -4.792 1.00 0.00 C ATOM 0 H LEU A 39 -2.233 -3.195 -7.698 1.00 -0.73 H new ATOM 0 HA LEU A 39 -3.898 -3.942 -5.536 1.00 0.36 H new ATOM 0 HB2 LEU A 39 -4.292 -2.408 -8.118 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.627 -2.717 -7.026 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.043 -1.343 -6.180 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.390 0.757 -6.273 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.274 -0.005 -7.877 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.767 -0.164 -6.923 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.363 -0.634 -4.213 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.758 -1.560 -4.816 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.271 -2.408 -4.329 1.00 0.00 H new ATOM 659 N ASN A 40 -4.262 -5.644 -8.333 1.00 -0.73 N ATOM 660 CA ASN A 40 -4.820 -6.902 -8.821 1.00 0.36 C ATOM 661 C ASN A 40 -4.540 -8.022 -7.826 1.00 0.57 C ATOM 662 O ASN A 40 -5.404 -8.870 -7.642 1.00 -0.57 O ATOM 663 CB ASN A 40 -4.253 -7.297 -10.193 1.00 0.06 C ATOM 664 CG ASN A 40 -5.214 -8.161 -10.997 1.00 0.57 C ATOM 665 OD1 ASN A 40 -5.168 -9.386 -10.934 1.00 -0.57 O ATOM 666 ND2 ASN A 40 -6.047 -7.517 -11.808 1.00 -0.80 N ATOM 0 H ASN A 40 -3.570 -5.226 -8.954 1.00 -0.73 H new ATOM 0 HA ASN A 40 -5.894 -6.752 -8.929 1.00 0.36 H new ATOM 0 HB2 ASN A 40 -4.021 -6.395 -10.759 1.00 0.06 H new ATOM 0 HB3 ASN A 40 -3.316 -7.836 -10.053 1.00 0.06 H new ATOM 0 HD21 ASN A 40 -6.681 -8.043 -12.410 1.00 -0.80 H new ATOM 0 HD22 ASN A 40 -6.052 -6.497 -11.829 1.00 -0.80 H new ATOM 673 N MET A 41 -3.365 -8.025 -7.177 1.00 -0.73 N ATOM 674 CA MET A 41 -3.031 -9.031 -6.181 1.00 0.36 C ATOM 675 C MET A 41 -3.934 -8.928 -4.947 1.00 0.57 C ATOM 676 O MET A 41 -4.351 -9.972 -4.466 1.00 -0.57 O ATOM 677 CB MET A 41 -1.539 -8.990 -5.807 1.00 0.00 C ATOM 678 CG MET A 41 -0.640 -9.474 -6.949 1.00 0.23 C ATOM 679 SD MET A 41 1.063 -9.853 -6.456 1.00 -0.46 S ATOM 680 CE MET A 41 1.916 -8.364 -7.037 1.00 0.23 C ATOM 0 H MET A 41 -2.632 -7.333 -7.332 1.00 -0.73 H new ATOM 0 HA MET A 41 -3.218 -10.006 -6.632 1.00 0.36 H new ATOM 0 HB2 MET A 41 -1.262 -7.971 -5.537 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.370 -9.610 -4.927 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.084 -10.366 -7.391 1.00 0.23 H new ATOM 0 HG3 MET A 41 -0.618 -8.710 -7.726 1.00 0.23 H new ATOM 0 HE1 MET A 41 2.992 -8.538 -7.039 1.00 0.23 H new ATOM 0 HE2 MET A 41 1.585 -8.126 -8.048 1.00 0.23 H new ATOM 0 HE3 MET A 41 1.684 -7.530 -6.374 1.00 0.23 H new ATOM 690 N TRP A 42 -4.301 -7.721 -4.486 1.00 -0.73 N ATOM 691 CA TRP A 42 -5.283 -7.540 -3.402 1.00 0.36 C ATOM 692 C TRP A 42 -6.715 -7.821 -3.881 1.00 0.57 C ATOM 693 O TRP A 42 -7.514 -8.472 -3.207 1.00 -0.57 O ATOM 694 CB TRP A 42 -5.181 -6.105 -2.850 1.00 0.18 C ATOM 695 CG TRP A 42 -4.179 -5.944 -1.750 1.00 -0.18 C ATOM 696 CD1 TRP A 42 -2.839 -5.958 -1.905 1.00 -0.30 C ATOM 697 CD2 TRP A 42 -4.407 -5.820 -0.312 1.00 0.00 C ATOM 698 NE1 TRP A 42 -2.227 -5.897 -0.670 1.00 0.03 N ATOM 699 CE2 TRP A 42 -3.145 -5.870 0.353 1.00 -0.15 C ATOM 700 CE3 TRP A 42 -5.549 -5.695 0.506 1.00 -0.15 C ATOM 701 CZ2 TRP A 42 -3.030 -5.865 1.750 1.00 -0.15 C ATOM 702 CZ3 TRP A 42 -5.442 -5.675 1.910 1.00 -0.15 C ATOM 703 CH2 TRP A 42 -4.188 -5.770 2.535 1.00 -0.15 C ATOM 0 H TRP A 42 -3.927 -6.845 -4.852 1.00 -0.73 H new ATOM 0 HA TRP A 42 -5.054 -8.256 -2.613 1.00 0.36 H new ATOM 0 HB2 TRP A 42 -4.921 -5.431 -3.666 1.00 0.18 H new ATOM 0 HB3 TRP A 42 -6.160 -5.798 -2.483 1.00 0.18 H new ATOM 0 HD1 TRP A 42 -2.323 -6.009 -2.853 1.00 -0.30 H new ATOM 0 HE1 TRP A 42 -1.217 -5.875 -0.533 1.00 0.03 H new ATOM 0 HE3 TRP A 42 -6.523 -5.613 0.047 1.00 -0.15 H new ATOM 0 HZ2 TRP A 42 -2.059 -5.934 2.217 1.00 -0.15 H new ATOM 0 HZ3 TRP A 42 -6.334 -5.586 2.513 1.00 -0.15 H new ATOM 0 HH2 TRP A 42 -4.116 -5.770 3.613 1.00 -0.15 H new ATOM 714 N GLY A 43 -7.051 -7.361 -5.087 1.00 -0.73 N ATOM 715 CA GLY A 43 -8.337 -7.613 -5.714 1.00 0.36 C ATOM 716 C GLY A 43 -8.498 -9.075 -6.148 1.00 0.57 C ATOM 717 O GLY A 43 -9.567 -9.467 -6.614 1.00 -0.57 O ATOM 0 H GLY A 43 -6.424 -6.795 -5.659 1.00 -0.73 H new ATOM 0 HA2 GLY A 43 -9.135 -7.353 -5.018 1.00 0.36 H new ATOM 0 HA3 GLY A 43 -8.448 -6.964 -6.583 1.00 0.36 H new ATOM 721 N LYS A 44 -7.451 -9.900 -6.019 1.00 -0.73 N ATOM 722 CA LYS A 44 -7.513 -11.328 -6.301 1.00 0.36 C ATOM 723 C LYS A 44 -8.380 -12.061 -5.274 1.00 0.57 C ATOM 724 O LYS A 44 -8.851 -13.170 -5.568 1.00 -0.57 O ATOM 725 CB LYS A 44 -6.089 -11.916 -6.361 1.00 0.00 C ATOM 726 CG LYS A 44 -5.989 -13.029 -7.415 1.00 0.00 C ATOM 727 CD LYS A 44 -5.955 -12.463 -8.852 1.00 0.00 C ATOM 728 CE LYS A 44 -6.825 -13.266 -9.832 1.00 0.50 C ATOM 729 NZ LYS A 44 -6.358 -14.657 -10.019 1.00 -0.85 N ATOM 0 H LYS A 44 -6.531 -9.585 -5.712 1.00 -0.73 H new ATOM 0 HA LYS A 44 -7.984 -11.469 -7.274 1.00 0.36 H new ATOM 0 HB2 LYS A 44 -5.376 -11.125 -6.595 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.815 -12.312 -5.383 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.090 -13.618 -7.236 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.838 -13.704 -7.311 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.295 -11.427 -8.837 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.925 -12.456 -9.210 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.852 -13.280 -9.468 1.00 0.50 H new ATOM 0 HE3 LYS A 44 -6.835 -12.760 -10.797 1.00 0.50 H new ATOM 0 HZ1 LYS A 44 -6.984 -15.146 -10.690 1.00 -0.85 H new ATOM 0 HZ2 LYS A 44 -5.388 -14.650 -10.393 1.00 -0.85 H new ATOM 0 HZ3 LYS A 44 -6.373 -15.154 -9.106 1.00 -0.85 H new ATOM 743 N GLU A 45 -8.604 -11.442 -4.104 1.00 -0.73 N ATOM 744 CA GLU A 45 -9.469 -11.960 -3.054 1.00 0.36 C ATOM 745 C GLU A 45 -10.725 -11.101 -2.868 1.00 0.57 C ATOM 746 O GLU A 45 -11.782 -11.668 -2.600 1.00 -0.57 O ATOM 747 CB GLU A 45 -8.713 -12.008 -1.723 1.00 0.00 C ATOM 748 CG GLU A 45 -7.406 -12.819 -1.740 1.00 0.06 C ATOM 749 CD GLU A 45 -6.204 -11.935 -1.408 1.00 0.66 C ATOM 750 OE1 GLU A 45 -6.002 -10.978 -2.137 1.00 -0.57 O ATOM 751 OE2 GLU A 45 -5.488 -12.267 -0.338 1.00 -0.65 O ATOM 0 H GLU A 45 -8.175 -10.548 -3.865 1.00 -0.73 H new ATOM 0 HA GLU A 45 -9.773 -12.961 -3.359 1.00 0.36 H new ATOM 0 HB2 GLU A 45 -8.484 -10.987 -1.417 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.373 -12.428 -0.964 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.471 -13.634 -1.020 1.00 0.06 H new ATOM 0 HG3 GLU A 45 -7.268 -13.271 -2.722 1.00 0.06 H new ATOM 759 N ILE A 46 -10.647 -9.767 -3.023 1.00 -0.73 N ATOM 760 CA ILE A 46 -11.825 -8.900 -2.907 1.00 0.36 C ATOM 761 C ILE A 46 -12.267 -8.405 -4.284 1.00 0.57 C ATOM 762 O ILE A 46 -11.446 -7.831 -4.994 1.00 -0.57 O ATOM 763 CB ILE A 46 -11.626 -7.724 -1.918 1.00 0.00 C ATOM 764 CG1 ILE A 46 -10.343 -6.887 -2.103 1.00 0.00 C ATOM 765 CG2 ILE A 46 -11.736 -8.319 -0.517 1.00 0.00 C ATOM 766 CD1 ILE A 46 -10.214 -5.709 -1.127 1.00 0.00 C ATOM 0 H ILE A 46 -9.780 -9.270 -3.229 1.00 -0.73 H new ATOM 0 HA ILE A 46 -12.622 -9.511 -2.483 1.00 0.36 H new ATOM 0 HB ILE A 46 -12.399 -6.981 -2.114 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.477 -7.539 -1.985 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.317 -6.504 -3.123 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.603 -7.531 0.224 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.719 -8.774 -0.391 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.965 -9.078 -0.382 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.286 -5.173 -1.324 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.059 -5.033 -1.259 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.206 -6.084 -0.103 1.00 0.00 H new ATOM 778 N PRO A 47 -13.556 -8.528 -4.657 1.00 -0.66 N ATOM 779 CA PRO A 47 -14.092 -8.028 -5.925 1.00 0.36 C ATOM 780 C PRO A 47 -14.225 -6.487 -5.940 1.00 0.57 C ATOM 781 O PRO A 47 -15.214 -5.923 -6.413 1.00 -0.57 O ATOM 782 CB PRO A 47 -15.405 -8.794 -6.128 1.00 0.00 C ATOM 783 CG PRO A 47 -15.883 -9.136 -4.719 1.00 0.00 C ATOM 784 CD PRO A 47 -14.604 -9.182 -3.881 1.00 0.30 C ATOM 0 HA PRO A 47 -13.422 -8.209 -6.766 1.00 0.36 H new ATOM 0 HB2 PRO A 47 -16.139 -8.186 -6.657 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -15.249 -9.695 -6.722 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -16.577 -8.385 -4.342 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -16.406 -10.092 -4.698 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -14.750 -8.674 -2.928 1.00 0.30 H new ATOM 0 HD3 PRO A 47 -14.329 -10.212 -3.655 1.00 0.30 H new ATOM 792 N LEU A 48 -13.233 -5.790 -5.381 1.00 -0.73 N ATOM 793 CA LEU A 48 -13.149 -4.341 -5.348 1.00 0.36 C ATOM 794 C LEU A 48 -12.501 -3.880 -6.657 1.00 0.57 C ATOM 795 O LEU A 48 -11.625 -4.559 -7.208 1.00 -0.57 O ATOM 796 CB LEU A 48 -12.369 -3.926 -4.086 1.00 0.00 C ATOM 797 CG LEU A 48 -12.779 -2.543 -3.538 1.00 0.00 C ATOM 798 CD1 LEU A 48 -12.665 -2.549 -2.013 1.00 0.00 C ATOM 799 CD2 LEU A 48 -11.926 -1.403 -4.104 1.00 0.00 C ATOM 0 H LEU A 48 -12.441 -6.242 -4.924 1.00 -0.73 H new ATOM 0 HA LEU A 48 -14.126 -3.862 -5.283 1.00 0.36 H new ATOM 0 HB2 LEU A 48 -12.523 -4.676 -3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.303 -3.917 -4.314 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.808 -2.364 -3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -12.954 -1.573 -1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.324 -3.314 -1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.636 -2.764 -1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.260 -0.455 -3.683 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.880 -1.567 -3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.030 -1.375 -5.189 1.00 0.00 H new ATOM 811 N HIS A 49 -12.963 -2.741 -7.172 1.00 -0.73 N ATOM 812 CA HIS A 49 -12.555 -2.217 -8.464 1.00 0.36 C ATOM 813 C HIS A 49 -12.055 -0.788 -8.273 1.00 0.57 C ATOM 814 O HIS A 49 -12.316 -0.144 -7.254 1.00 -0.57 O ATOM 815 CB HIS A 49 -13.729 -2.292 -9.453 1.00 0.17 C ATOM 816 CG HIS A 49 -14.200 -3.698 -9.765 1.00 0.18 C ATOM 817 ND1 HIS A 49 -14.816 -4.587 -8.909 1.00 -0.70 N ATOM 818 CD2 HIS A 49 -14.093 -4.333 -10.976 1.00 0.20 C ATOM 819 CE1 HIS A 49 -15.057 -5.720 -9.587 1.00 0.65 C ATOM 820 NE2 HIS A 49 -14.645 -5.611 -10.859 1.00 -0.70 N ATOM 0 H HIS A 49 -13.642 -2.151 -6.691 1.00 -0.73 H new ATOM 0 HA HIS A 49 -11.744 -2.813 -8.883 1.00 0.36 H new ATOM 0 HB2 HIS A 49 -14.566 -1.724 -9.047 1.00 0.17 H new ATOM 0 HB3 HIS A 49 -13.435 -1.806 -10.383 1.00 0.17 H new ATOM 0 HD1 HIS A 49 -15.048 -4.414 -7.931 1.00 -0.70 H new ATOM 0 HD2 HIS A 49 -13.655 -3.915 -11.870 1.00 0.20 H new ATOM 0 HE1 HIS A 49 -15.520 -6.600 -9.166 1.00 0.65 H new ATOM 829 N PHE A 50 -11.315 -0.275 -9.253 1.00 -0.73 N ATOM 830 CA PHE A 50 -10.598 0.974 -9.092 1.00 0.36 C ATOM 831 C PHE A 50 -10.708 1.766 -10.382 1.00 0.57 C ATOM 832 O PHE A 50 -10.986 1.206 -11.447 1.00 -0.57 O ATOM 833 CB PHE A 50 -9.122 0.761 -8.677 1.00 0.14 C ATOM 834 CG PHE A 50 -8.838 -0.433 -7.774 1.00 -0.14 C ATOM 835 CD1 PHE A 50 -8.868 -1.737 -8.307 1.00 -0.15 C ATOM 836 CD2 PHE A 50 -8.548 -0.259 -6.406 1.00 -0.15 C ATOM 837 CE1 PHE A 50 -8.693 -2.854 -7.473 1.00 -0.15 C ATOM 838 CE2 PHE A 50 -8.366 -1.375 -5.572 1.00 -0.15 C ATOM 839 CZ PHE A 50 -8.449 -2.674 -6.102 1.00 -0.15 C ATOM 0 H PHE A 50 -11.200 -0.712 -10.168 1.00 -0.73 H new ATOM 0 HA PHE A 50 -11.053 1.536 -8.276 1.00 0.36 H new ATOM 0 HB2 PHE A 50 -8.524 0.654 -9.582 1.00 0.14 H new ATOM 0 HB3 PHE A 50 -8.776 1.662 -8.171 1.00 0.14 H new ATOM 0 HD1 PHE A 50 -9.027 -1.879 -9.366 1.00 -0.15 H new ATOM 0 HD2 PHE A 50 -8.465 0.737 -5.997 1.00 -0.15 H new ATOM 0 HE1 PHE A 50 -8.746 -3.850 -7.886 1.00 -0.15 H new ATOM 0 HE2 PHE A 50 -8.162 -1.234 -4.521 1.00 -0.15 H new ATOM 0 HZ PHE A 50 -8.325 -3.531 -5.457 1.00 -0.15 H new ATOM 849 N ARG A 51 -10.476 3.073 -10.285 1.00 -0.73 N ATOM 850 CA ARG A 51 -10.566 3.985 -11.414 1.00 0.36 C ATOM 851 C ARG A 51 -9.484 5.049 -11.284 1.00 0.57 C ATOM 852 O ARG A 51 -8.774 5.108 -10.284 1.00 -0.57 O ATOM 853 CB ARG A 51 -11.990 4.575 -11.476 1.00 0.00 C ATOM 854 CG ARG A 51 -12.601 4.436 -12.878 1.00 0.00 C ATOM 855 CD ARG A 51 -14.125 4.581 -12.814 1.00 0.33 C ATOM 856 NE ARG A 51 -14.719 4.728 -14.153 1.00 -0.84 N ATOM 857 CZ ARG A 51 -16.001 5.032 -14.411 1.00 1.20 C ATOM 858 NH1 ARG A 51 -16.883 5.176 -13.418 1.00 -0.97 N ATOM 859 NH2 ARG A 51 -16.393 5.201 -15.676 1.00 -0.97 N ATOM 0 H ARG A 51 -10.218 3.530 -9.410 1.00 -0.73 H new ATOM 0 HA ARG A 51 -10.393 3.465 -12.356 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -12.626 4.068 -10.750 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.961 5.628 -11.194 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.185 5.195 -13.540 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.339 3.466 -13.301 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.552 3.708 -12.321 1.00 0.33 H new ATOM 0 HD3 ARG A 51 -14.382 5.448 -12.206 1.00 0.33 H new ATOM 0 HE ARG A 51 -14.103 4.587 -14.954 1.00 -0.84 H new ATOM 0 HH11 ARG A 51 -16.585 5.055 -12.450 1.00 -0.97 H new ATOM 0 HH12 ARG A 51 -17.854 5.407 -13.628 1.00 -0.97 H new ATOM 0 HH21 ARG A 51 -15.721 5.099 -16.436 1.00 -0.97 H new ATOM 0 HH22 ARG A 51 -17.365 5.432 -15.882 1.00 -0.97 H new ATOM 873 N LYS A 52 -9.371 5.900 -12.300 1.00 -0.73 N ATOM 874 CA LYS A 52 -8.395 6.972 -12.328 1.00 0.36 C ATOM 875 C LYS A 52 -9.148 8.281 -12.525 1.00 0.57 C ATOM 876 O LYS A 52 -10.296 8.292 -12.982 1.00 -0.57 O ATOM 877 CB LYS A 52 -7.355 6.708 -13.433 1.00 0.00 C ATOM 878 CG LYS A 52 -5.948 7.151 -12.992 1.00 0.00 C ATOM 879 CD LYS A 52 -4.994 7.343 -14.175 1.00 0.00 C ATOM 880 CE LYS A 52 -4.706 6.044 -14.941 1.00 0.50 C ATOM 881 NZ LYS A 52 -4.544 6.313 -16.384 1.00 -0.85 N ATOM 0 H LYS A 52 -9.961 5.860 -13.131 1.00 -0.73 H new ATOM 0 HA LYS A 52 -7.838 7.030 -11.393 1.00 0.36 H new ATOM 0 HB2 LYS A 52 -7.344 5.646 -13.679 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.640 7.243 -14.339 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.023 8.085 -12.435 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.533 6.407 -12.312 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.421 8.074 -14.862 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.054 7.758 -13.811 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.802 5.578 -14.549 1.00 0.50 H new ATOM 0 HE3 LYS A 52 -5.521 5.337 -14.787 1.00 0.50 H new ATOM 0 HZ1 LYS A 52 -4.350 5.422 -16.884 1.00 -0.85 H new ATOM 0 HZ2 LYS A 52 -5.417 6.737 -16.758 1.00 -0.85 H new ATOM 0 HZ3 LYS A 52 -3.751 6.970 -16.528 1.00 -0.85 H new ATOM 895 N VAL A 53 -8.468 9.376 -12.207 1.00 -0.73 N ATOM 896 CA VAL A 53 -8.948 10.749 -12.316 1.00 0.36 C ATOM 897 C VAL A 53 -7.979 11.532 -13.197 1.00 0.57 C ATOM 898 O VAL A 53 -6.928 11.028 -13.588 1.00 -0.57 O ATOM 899 CB VAL A 53 -9.053 11.403 -10.917 1.00 0.00 C ATOM 900 CG1 VAL A 53 -10.379 11.062 -10.231 1.00 0.00 C ATOM 901 CG2 VAL A 53 -7.834 11.051 -10.062 1.00 0.00 C ATOM 0 H VAL A 53 -7.515 9.328 -11.847 1.00 -0.73 H new ATOM 0 HA VAL A 53 -9.943 10.755 -12.761 1.00 0.36 H new ATOM 0 HB VAL A 53 -9.051 12.486 -11.044 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.415 11.539 -9.252 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.207 11.422 -10.841 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.459 9.982 -10.111 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.928 11.521 -9.083 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.774 9.969 -9.941 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.930 11.412 -10.552 1.00 0.00 H new ATOM 911 N VAL A 54 -8.339 12.787 -13.466 1.00 -0.73 N ATOM 912 CA VAL A 54 -7.620 13.668 -14.376 1.00 0.36 C ATOM 913 C VAL A 54 -7.249 14.999 -13.710 1.00 0.57 C ATOM 914 O VAL A 54 -6.235 15.583 -14.086 1.00 -0.57 O ATOM 915 CB VAL A 54 -8.466 13.886 -15.651 1.00 0.00 C ATOM 916 CG1 VAL A 54 -8.667 12.569 -16.419 1.00 0.00 C ATOM 917 CG2 VAL A 54 -9.848 14.508 -15.364 1.00 0.00 C ATOM 0 H VAL A 54 -9.158 13.226 -13.046 1.00 -0.73 H new ATOM 0 HA VAL A 54 -6.679 13.192 -14.652 1.00 0.36 H new ATOM 0 HB VAL A 54 -7.897 14.591 -16.258 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.266 12.755 -17.310 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.697 12.166 -16.711 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.181 11.850 -15.781 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -10.391 14.635 -16.300 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -10.413 13.851 -14.703 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -9.718 15.479 -14.886 1.00 0.00 H new ATOM 927 N TRP A 55 -8.056 15.467 -12.741 1.00 -0.73 N ATOM 928 CA TRP A 55 -7.894 16.747 -12.060 1.00 0.36 C ATOM 929 C TRP A 55 -6.589 16.826 -11.263 1.00 0.57 C ATOM 930 O TRP A 55 -5.755 17.687 -11.544 1.00 -0.57 O ATOM 931 CB TRP A 55 -9.103 16.980 -11.133 1.00 0.18 C ATOM 932 CG TRP A 55 -10.363 17.425 -11.810 1.00 -0.18 C ATOM 933 CD1 TRP A 55 -11.562 16.800 -11.775 1.00 -0.30 C ATOM 934 CD2 TRP A 55 -10.580 18.649 -12.576 1.00 0.00 C ATOM 935 NE1 TRP A 55 -12.494 17.536 -12.480 1.00 0.03 N ATOM 936 CE2 TRP A 55 -11.944 18.694 -12.994 1.00 -0.15 C ATOM 937 CE3 TRP A 55 -9.760 19.741 -12.928 1.00 -0.15 C ATOM 938 CZ2 TRP A 55 -12.463 19.769 -13.735 1.00 -0.15 C ATOM 939 CZ3 TRP A 55 -10.268 20.822 -13.671 1.00 -0.15 C ATOM 940 CH2 TRP A 55 -11.617 20.840 -14.073 1.00 -0.15 C ATOM 0 H TRP A 55 -8.863 14.941 -12.405 1.00 -0.73 H new ATOM 0 HA TRP A 55 -7.844 17.528 -12.819 1.00 0.36 H new ATOM 0 HB2 TRP A 55 -9.309 16.055 -10.595 1.00 0.18 H new ATOM 0 HB3 TRP A 55 -8.828 17.728 -10.389 1.00 0.18 H new ATOM 0 HD1 TRP A 55 -11.761 15.866 -11.271 1.00 -0.30 H new ATOM 0 HE1 TRP A 55 -13.468 17.259 -12.606 1.00 0.03 H new ATOM 0 HE3 TRP A 55 -8.724 19.747 -12.622 1.00 -0.15 H new ATOM 0 HZ2 TRP A 55 -13.499 19.773 -14.041 1.00 -0.15 H new ATOM 0 HZ3 TRP A 55 -9.619 21.644 -13.935 1.00 -0.15 H new ATOM 0 HH2 TRP A 55 -12.001 21.675 -14.640 1.00 -0.15 H new ATOM 951 N GLY A 56 -6.430 15.951 -10.259 1.00 -0.73 N ATOM 952 CA GLY A 56 -5.254 15.930 -9.389 1.00 0.36 C ATOM 953 C GLY A 56 -5.600 15.728 -7.911 1.00 0.57 C ATOM 954 O GLY A 56 -5.006 16.380 -7.050 1.00 -0.57 O ATOM 0 H GLY A 56 -7.120 15.236 -10.030 1.00 -0.73 H new ATOM 0 HA2 GLY A 56 -4.586 15.131 -9.711 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -4.709 16.867 -9.503 1.00 0.36 H new ATOM 958 N THR A 57 -6.595 14.883 -7.609 1.00 -0.73 N ATOM 959 CA THR A 57 -7.003 14.506 -6.258 1.00 0.36 C ATOM 960 C THR A 57 -7.924 13.286 -6.383 1.00 0.57 C ATOM 961 O THR A 57 -8.600 13.152 -7.407 1.00 -0.57 O ATOM 962 CB THR A 57 -7.693 15.693 -5.551 1.00 0.28 C ATOM 963 OG1 THR A 57 -7.931 15.362 -4.201 1.00 -0.68 O ATOM 964 CG2 THR A 57 -9.010 16.143 -6.195 1.00 0.00 C ATOM 0 H THR A 57 -7.156 14.429 -8.330 1.00 -0.73 H new ATOM 0 HA THR A 57 -6.142 14.247 -5.643 1.00 0.36 H new ATOM 0 HB THR A 57 -7.005 16.533 -5.645 1.00 0.28 H new ATOM 0 HG1 THR A 57 -8.367 16.116 -3.751 1.00 -0.68 H new ATOM 0 HG21 THR A 57 -9.423 16.980 -5.632 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.825 16.453 -7.223 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.720 15.316 -6.188 1.00 0.00 H new ATOM 972 N ALA A 58 -7.927 12.395 -5.384 1.00 -0.73 N ATOM 973 CA ALA A 58 -8.721 11.171 -5.360 1.00 0.36 C ATOM 974 C ALA A 58 -8.696 10.556 -3.951 1.00 0.57 C ATOM 975 O ALA A 58 -8.081 11.101 -3.026 1.00 -0.57 O ATOM 976 CB ALA A 58 -8.170 10.185 -6.399 1.00 0.00 C ATOM 0 H ALA A 58 -7.357 12.514 -4.546 1.00 -0.73 H new ATOM 0 HA ALA A 58 -9.757 11.400 -5.611 1.00 0.36 H new ATOM 0 HB1 ALA A 58 -8.762 9.270 -6.382 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.224 10.634 -7.391 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.132 9.950 -6.163 1.00 0.00 H new ATOM 982 N ASP A 59 -9.363 9.409 -3.792 1.00 -0.73 N ATOM 983 CA ASP A 59 -9.403 8.674 -2.533 1.00 0.36 C ATOM 984 C ASP A 59 -8.025 8.076 -2.234 1.00 0.57 C ATOM 985 O ASP A 59 -7.621 8.067 -1.074 1.00 -0.57 O ATOM 986 CB ASP A 59 -10.436 7.540 -2.556 1.00 0.06 C ATOM 987 CG ASP A 59 -11.691 7.838 -3.375 1.00 0.66 C ATOM 988 OD1 ASP A 59 -11.817 7.224 -4.422 1.00 -0.57 O ATOM 989 OD2 ASP A 59 -12.507 8.789 -2.929 1.00 -0.65 O ATOM 0 H ASP A 59 -9.893 8.965 -4.542 1.00 -0.73 H new ATOM 0 HA ASP A 59 -9.691 9.384 -1.758 1.00 0.36 H new ATOM 0 HB2 ASP A 59 -9.962 6.643 -2.955 1.00 0.06 H new ATOM 0 HB3 ASP A 59 -10.732 7.315 -1.531 1.00 0.06 H new ATOM 995 N ILE A 60 -7.309 7.649 -3.285 1.00 -0.73 N ATOM 996 CA ILE A 60 -6.010 6.987 -3.241 1.00 0.36 C ATOM 997 C ILE A 60 -4.982 7.920 -3.923 1.00 0.57 C ATOM 998 O ILE A 60 -4.519 7.690 -5.046 1.00 -0.57 O ATOM 999 CB ILE A 60 -6.092 5.595 -3.922 1.00 0.00 C ATOM 1000 CG1 ILE A 60 -7.348 4.728 -3.685 1.00 0.00 C ATOM 1001 CG2 ILE A 60 -4.826 4.778 -3.645 1.00 0.00 C ATOM 1002 CD1 ILE A 60 -7.481 4.093 -2.305 1.00 0.00 C ATOM 0 H ILE A 60 -7.646 7.766 -4.240 1.00 -0.73 H new ATOM 0 HA ILE A 60 -5.695 6.806 -2.213 1.00 0.36 H new ATOM 0 HB ILE A 60 -6.182 5.864 -4.974 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.228 5.345 -3.864 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.360 3.933 -4.430 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.906 3.806 -4.132 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.958 5.309 -4.035 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.712 4.637 -2.570 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.401 3.510 -2.260 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -6.628 3.440 -2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.510 4.875 -1.546 1.00 0.00 H new ATOM 1014 N MET A 61 -4.669 9.049 -3.290 1.00 -0.73 N ATOM 1015 CA MET A 61 -3.604 9.947 -3.709 1.00 0.36 C ATOM 1016 C MET A 61 -2.281 9.270 -3.364 1.00 0.57 C ATOM 1017 O MET A 61 -2.007 9.004 -2.194 1.00 -0.57 O ATOM 1018 CB MET A 61 -3.750 11.308 -3.002 1.00 0.00 C ATOM 1019 CG MET A 61 -2.830 12.399 -3.539 1.00 0.23 C ATOM 1020 SD MET A 61 -3.212 14.045 -2.868 1.00 -0.46 S ATOM 1021 CE MET A 61 -1.785 14.331 -1.786 1.00 0.23 C ATOM 0 H MET A 61 -5.161 9.368 -2.455 1.00 -0.73 H new ATOM 0 HA MET A 61 -3.648 10.143 -4.780 1.00 0.36 H new ATOM 0 HB2 MET A 61 -4.783 11.643 -3.095 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.553 11.174 -1.938 1.00 0.00 H new ATOM 0 HG2 MET A 61 -1.797 12.146 -3.300 1.00 0.23 H new ATOM 0 HG3 MET A 61 -2.907 12.429 -4.626 1.00 0.23 H new ATOM 0 HE1 MET A 61 -2.054 15.048 -1.011 1.00 0.23 H new ATOM 0 HE2 MET A 61 -1.485 13.391 -1.323 1.00 0.23 H new ATOM 0 HE3 MET A 61 -0.956 14.726 -2.374 1.00 0.23 H new ATOM 1031 N ILE A 62 -1.456 8.998 -4.374 1.00 -0.73 N ATOM 1032 CA ILE A 62 -0.130 8.426 -4.182 1.00 0.36 C ATOM 1033 C ILE A 62 0.850 9.551 -4.495 1.00 0.57 C ATOM 1034 O ILE A 62 0.772 10.171 -5.554 1.00 -0.57 O ATOM 1035 CB ILE A 62 0.076 7.162 -5.053 1.00 0.00 C ATOM 1036 CG1 ILE A 62 -1.046 6.112 -4.848 1.00 0.00 C ATOM 1037 CG2 ILE A 62 1.427 6.505 -4.726 1.00 0.00 C ATOM 1038 CD1 ILE A 62 -1.921 5.971 -6.095 1.00 0.00 C ATOM 0 H ILE A 62 -1.692 9.170 -5.351 1.00 -0.73 H new ATOM 0 HA ILE A 62 0.022 8.070 -3.163 1.00 0.36 H new ATOM 0 HB ILE A 62 0.051 7.492 -6.091 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.602 5.147 -4.604 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.665 6.402 -3.999 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.559 5.618 -5.345 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.233 7.211 -4.927 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.448 6.220 -3.674 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.696 5.226 -5.913 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.386 6.930 -6.324 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.306 5.656 -6.938 1.00 0.00 H new ATOM 1050 N GLY A 63 1.756 9.846 -3.569 1.00 -0.73 N ATOM 1051 CA GLY A 63 2.754 10.884 -3.769 1.00 0.36 C ATOM 1052 C GLY A 63 4.085 10.467 -3.181 1.00 0.57 C ATOM 1053 O GLY A 63 4.166 9.531 -2.390 1.00 -0.57 O ATOM 0 H GLY A 63 1.817 9.375 -2.666 1.00 -0.73 H new ATOM 0 HA2 GLY A 63 2.868 11.085 -4.834 1.00 0.36 H new ATOM 0 HA3 GLY A 63 2.420 11.811 -3.304 1.00 0.36 H new ATOM 1057 N PHE A 64 5.131 11.192 -3.557 1.00 -0.73 N ATOM 1058 CA PHE A 64 6.487 10.935 -3.125 1.00 0.36 C ATOM 1059 C PHE A 64 7.077 12.264 -2.700 1.00 0.57 C ATOM 1060 O PHE A 64 6.737 13.312 -3.264 1.00 -0.57 O ATOM 1061 CB PHE A 64 7.363 10.298 -4.220 1.00 0.14 C ATOM 1062 CG PHE A 64 6.805 9.054 -4.876 1.00 -0.14 C ATOM 1063 CD1 PHE A 64 5.654 9.146 -5.672 1.00 -0.15 C ATOM 1064 CD2 PHE A 64 7.402 7.799 -4.667 1.00 -0.15 C ATOM 1065 CE1 PHE A 64 5.030 7.999 -6.174 1.00 -0.15 C ATOM 1066 CE2 PHE A 64 6.769 6.640 -5.144 1.00 -0.15 C ATOM 1067 CZ PHE A 64 5.573 6.742 -5.883 1.00 -0.15 C ATOM 0 H PHE A 64 5.052 11.992 -4.185 1.00 -0.73 H new ATOM 0 HA PHE A 64 6.464 10.215 -2.307 1.00 0.36 H new ATOM 0 HB2 PHE A 64 7.541 11.044 -4.994 1.00 0.14 H new ATOM 0 HB3 PHE A 64 8.332 10.052 -3.785 1.00 0.14 H new ATOM 0 HD1 PHE A 64 5.243 10.118 -5.901 1.00 -0.15 H new ATOM 0 HD2 PHE A 64 8.343 7.726 -4.142 1.00 -0.15 H new ATOM 0 HE1 PHE A 64 4.139 8.082 -6.779 1.00 -0.15 H new ATOM 0 HE2 PHE A 64 7.199 5.670 -4.945 1.00 -0.15 H new ATOM 0 HZ PHE A 64 5.074 5.848 -6.226 1.00 -0.15 H new ATOM 1077 N ALA A 65 7.969 12.187 -1.721 1.00 -0.73 N ATOM 1078 CA ALA A 65 8.661 13.308 -1.126 1.00 0.36 C ATOM 1079 C ALA A 65 10.095 12.887 -0.806 1.00 0.57 C ATOM 1080 O ALA A 65 10.520 11.809 -1.203 1.00 -0.57 O ATOM 1081 CB ALA A 65 7.889 13.731 0.121 1.00 0.00 C ATOM 0 H ALA A 65 8.238 11.295 -1.305 1.00 -0.73 H new ATOM 0 HA ALA A 65 8.712 14.161 -1.803 1.00 0.36 H new ATOM 0 HB1 ALA A 65 8.391 14.577 0.590 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.876 14.020 -0.159 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.848 12.898 0.823 1.00 0.00 H new ATOM 1087 N ARG A 66 10.844 13.729 -0.097 1.00 -0.73 N ATOM 1088 CA ARG A 66 12.218 13.456 0.312 1.00 0.36 C ATOM 1089 C ARG A 66 12.311 13.551 1.837 1.00 0.57 C ATOM 1090 O ARG A 66 11.310 13.837 2.505 1.00 -0.57 O ATOM 1091 CB ARG A 66 13.162 14.423 -0.440 1.00 0.00 C ATOM 1092 CG ARG A 66 13.522 13.900 -1.846 1.00 0.00 C ATOM 1093 CD ARG A 66 15.007 13.531 -1.956 1.00 0.33 C ATOM 1094 NE ARG A 66 15.886 14.669 -2.254 1.00 -0.84 N ATOM 1095 CZ ARG A 66 16.020 15.282 -3.435 1.00 1.20 C ATOM 1096 NH1 ARG A 66 15.265 14.950 -4.486 1.00 -0.97 N ATOM 1097 NH2 ARG A 66 16.961 16.216 -3.551 1.00 -0.97 N ATOM 0 H ARG A 66 10.505 14.639 0.215 1.00 -0.73 H new ATOM 0 HA ARG A 66 12.530 12.446 0.047 1.00 0.36 H new ATOM 0 HB2 ARG A 66 12.686 15.400 -0.527 1.00 0.00 H new ATOM 0 HB3 ARG A 66 14.074 14.563 0.140 1.00 0.00 H new ATOM 0 HG2 ARG A 66 12.913 13.026 -2.075 1.00 0.00 H new ATOM 0 HG3 ARG A 66 13.281 14.660 -2.589 1.00 0.00 H new ATOM 0 HD2 ARG A 66 15.327 13.074 -1.020 1.00 0.33 H new ATOM 0 HD3 ARG A 66 15.127 12.779 -2.736 1.00 0.33 H new ATOM 0 HE ARG A 66 16.450 15.028 -1.484 1.00 -0.84 H new ATOM 0 HH11 ARG A 66 14.566 14.213 -4.399 1.00 -0.97 H new ATOM 0 HH12 ARG A 66 15.388 15.434 -5.375 1.00 -0.97 H new ATOM 0 HH21 ARG A 66 17.553 16.445 -2.753 1.00 -0.97 H new ATOM 0 HH22 ARG A 66 17.090 16.703 -4.438 1.00 -0.97 H new ATOM 1111 N GLY A 67 13.528 13.319 2.352 1.00 -0.73 N ATOM 1112 CA GLY A 67 13.929 13.535 3.733 1.00 0.36 C ATOM 1113 C GLY A 67 13.317 14.824 4.275 1.00 0.57 C ATOM 1114 O GLY A 67 13.765 15.910 3.909 1.00 -0.57 O ATOM 0 H GLY A 67 14.291 12.957 1.780 1.00 -0.73 H new ATOM 0 HA2 GLY A 67 13.613 12.690 4.345 1.00 0.36 H new ATOM 0 HA3 GLY A 67 15.016 13.587 3.798 1.00 0.36 H new ATOM 1118 N ALA A 68 12.312 14.667 5.141 1.00 -0.73 N ATOM 1119 CA ALA A 68 11.362 15.664 5.616 1.00 0.36 C ATOM 1120 C ALA A 68 10.567 16.391 4.512 1.00 0.57 C ATOM 1121 O ALA A 68 11.083 16.810 3.474 1.00 -0.57 O ATOM 1122 CB ALA A 68 12.054 16.619 6.589 1.00 0.00 C ATOM 0 H ALA A 68 12.131 13.756 5.562 1.00 -0.73 H new ATOM 0 HA ALA A 68 10.584 15.120 6.151 1.00 0.36 H new ATOM 0 HB1 ALA A 68 11.338 17.362 6.940 1.00 0.00 H new ATOM 0 HB2 ALA A 68 12.440 16.056 7.439 1.00 0.00 H new ATOM 0 HB3 ALA A 68 12.878 17.121 6.082 1.00 0.00 H new ATOM 1128 N HIS A 69 9.263 16.558 4.757 1.00 -0.73 N ATOM 1129 CA HIS A 69 8.327 17.154 3.814 1.00 0.36 C ATOM 1130 C HIS A 69 7.151 17.769 4.565 1.00 0.57 C ATOM 1131 O HIS A 69 6.884 17.442 5.722 1.00 -0.57 O ATOM 1132 CB HIS A 69 7.873 16.123 2.765 1.00 0.17 C ATOM 1133 CG HIS A 69 7.386 14.790 3.290 1.00 0.18 C ATOM 1134 ND1 HIS A 69 6.177 14.205 3.039 1.00 -0.70 N flip ATOM 1135 CD2 HIS A 69 8.116 13.893 4.030 1.00 0.20 C flip ATOM 1136 CE1 HIS A 69 6.142 12.961 3.673 1.00 0.65 C flip ATOM 1137 NE2 HIS A 69 7.318 12.848 4.304 1.00 -0.70 N flip ATOM 0 H HIS A 69 8.826 16.275 5.634 1.00 -0.73 H new ATOM 0 HA HIS A 69 8.829 17.955 3.271 1.00 0.36 H new ATOM 0 HB2 HIS A 69 7.073 16.569 2.174 1.00 0.17 H new ATOM 0 HB3 HIS A 69 8.706 15.938 2.087 1.00 0.17 H new ATOM 0 HD2 HIS A 69 9.145 14.007 4.336 1.00 0.20 H new ATOM 0 HE1 HIS A 69 5.336 12.242 3.658 1.00 0.65 H new ATOM 0 HE2 HIS A 69 7.574 12.071 4.913 1.00 -0.70 H new ATOM 1146 N GLY A 70 6.467 18.700 3.893 1.00 -0.73 N ATOM 1147 CA GLY A 70 5.438 19.548 4.470 1.00 0.36 C ATOM 1148 C GLY A 70 4.051 18.960 4.254 1.00 0.57 C ATOM 1149 O GLY A 70 3.200 19.632 3.677 1.00 -0.57 O ATOM 0 H GLY A 70 6.625 18.884 2.902 1.00 -0.73 H new ATOM 0 HA2 GLY A 70 5.621 19.670 5.538 1.00 0.36 H new ATOM 0 HA3 GLY A 70 5.488 20.540 4.022 1.00 0.36 H new ATOM 1153 N ASP A 71 3.842 17.711 4.681 1.00 -0.73 N ATOM 1154 CA ASP A 71 2.555 17.024 4.570 1.00 0.36 C ATOM 1155 C ASP A 71 1.901 16.879 5.953 1.00 0.57 C ATOM 1156 O ASP A 71 0.744 17.254 6.123 1.00 -0.57 O ATOM 1157 CB ASP A 71 2.765 15.665 3.875 1.00 0.06 C ATOM 1158 CG ASP A 71 3.378 14.590 4.779 1.00 0.66 C ATOM 1159 OD1 ASP A 71 4.322 14.907 5.484 1.00 -0.57 O ATOM 1160 OD2 ASP A 71 2.816 13.385 4.782 1.00 -0.65 O ATOM 0 H ASP A 71 4.569 17.144 5.117 1.00 -0.73 H new ATOM 0 HA ASP A 71 1.869 17.613 3.961 1.00 0.36 H new ATOM 0 HB2 ASP A 71 1.805 15.307 3.502 1.00 0.06 H new ATOM 0 HB3 ASP A 71 3.411 15.808 3.008 1.00 0.06 H new ATOM 1166 N SER A 72 2.653 16.373 6.937 1.00 -0.73 N ATOM 1167 CA SER A 72 2.190 15.895 8.234 1.00 0.36 C ATOM 1168 C SER A 72 3.304 15.125 8.964 1.00 0.57 C ATOM 1169 O SER A 72 3.381 15.235 10.188 1.00 -0.57 O ATOM 1170 CB SER A 72 0.986 14.950 8.068 1.00 0.28 C ATOM 1171 OG SER A 72 -0.244 15.567 8.399 1.00 -0.68 O ATOM 0 H SER A 72 3.664 16.283 6.837 1.00 -0.73 H new ATOM 0 HA SER A 72 1.901 16.770 8.816 1.00 0.36 H new ATOM 0 HB2 SER A 72 0.945 14.598 7.037 1.00 0.28 H new ATOM 0 HB3 SER A 72 1.129 14.073 8.699 1.00 0.28 H new ATOM 0 HG SER A 72 -0.403 16.323 7.797 1.00 -0.68 H new ATOM 1177 N TYR A 73 4.167 14.364 8.263 1.00 -0.73 N ATOM 1178 CA TYR A 73 5.114 13.441 8.894 1.00 0.36 C ATOM 1179 C TYR A 73 6.457 13.493 8.166 1.00 0.57 C ATOM 1180 O TYR A 73 6.599 12.851 7.125 1.00 -0.57 O ATOM 1181 CB TYR A 73 4.591 11.995 8.868 1.00 0.14 C ATOM 1182 CG TYR A 73 3.337 11.764 9.673 1.00 -0.14 C ATOM 1183 CD1 TYR A 73 3.412 11.611 11.071 1.00 -0.15 C ATOM 1184 CD2 TYR A 73 2.095 11.708 9.016 1.00 -0.15 C ATOM 1185 CE1 TYR A 73 2.238 11.428 11.821 1.00 -0.15 C ATOM 1186 CE2 TYR A 73 0.917 11.534 9.761 1.00 -0.15 C ATOM 1187 CZ TYR A 73 0.984 11.404 11.166 1.00 0.08 C ATOM 1188 OH TYR A 73 -0.173 11.249 11.868 1.00 -0.53 O ATOM 0 H TYR A 73 4.223 14.376 7.245 1.00 -0.73 H new ATOM 0 HA TYR A 73 5.235 13.751 9.932 1.00 0.36 H new ATOM 0 HB2 TYR A 73 4.400 11.711 7.833 1.00 0.14 H new ATOM 0 HB3 TYR A 73 5.373 11.333 9.241 1.00 0.14 H new ATOM 0 HD1 TYR A 73 4.371 11.634 11.566 1.00 -0.15 H new ATOM 0 HD2 TYR A 73 2.047 11.799 7.941 1.00 -0.15 H new ATOM 0 HE1 TYR A 73 2.293 11.306 12.893 1.00 -0.15 H new ATOM 0 HE2 TYR A 73 -0.039 11.500 9.260 1.00 -0.15 H new ATOM 0 HH TYR A 73 -0.934 11.258 11.251 1.00 -0.53 H new ATOM 1198 N PRO A 74 7.464 14.211 8.690 1.00 -0.66 N ATOM 1199 CA PRO A 74 8.754 14.282 8.032 1.00 0.36 C ATOM 1200 C PRO A 74 9.429 12.896 8.011 1.00 0.57 C ATOM 1201 O PRO A 74 9.668 12.284 9.062 1.00 -0.57 O ATOM 1202 CB PRO A 74 9.536 15.374 8.771 1.00 0.00 C ATOM 1203 CG PRO A 74 8.861 15.520 10.136 1.00 0.00 C ATOM 1204 CD PRO A 74 7.465 14.927 9.958 1.00 0.30 C ATOM 0 HA PRO A 74 8.688 14.551 6.978 1.00 0.36 H new ATOM 0 HB2 PRO A 74 10.585 15.097 8.881 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.511 16.314 8.220 1.00 0.00 H new ATOM 0 HG2 PRO A 74 9.418 14.991 10.909 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.809 16.566 10.440 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.224 14.254 10.781 1.00 0.30 H new ATOM 0 HD3 PRO A 74 6.710 15.713 9.958 1.00 0.30 H new ATOM 1212 N PHE A 75 9.703 12.411 6.787 1.00 -0.73 N ATOM 1213 CA PHE A 75 10.560 11.257 6.509 1.00 0.36 C ATOM 1214 C PHE A 75 11.997 11.534 6.955 1.00 0.57 C ATOM 1215 O PHE A 75 12.406 12.681 7.126 1.00 -0.57 O ATOM 1216 CB PHE A 75 10.588 10.912 4.998 1.00 0.14 C ATOM 1217 CG PHE A 75 9.430 10.100 4.444 1.00 -0.14 C ATOM 1218 CD1 PHE A 75 9.020 8.901 5.062 1.00 -0.15 C ATOM 1219 CD2 PHE A 75 8.799 10.513 3.253 1.00 -0.15 C ATOM 1220 CE1 PHE A 75 7.929 8.178 4.547 1.00 -0.15 C ATOM 1221 CE2 PHE A 75 7.671 9.825 2.775 1.00 -0.15 C ATOM 1222 CZ PHE A 75 7.230 8.662 3.428 1.00 -0.15 C ATOM 0 H PHE A 75 9.319 12.829 5.940 1.00 -0.73 H new ATOM 0 HA PHE A 75 10.142 10.417 7.064 1.00 0.36 H new ATOM 0 HB2 PHE A 75 10.641 11.847 4.440 1.00 0.14 H new ATOM 0 HB3 PHE A 75 11.510 10.367 4.794 1.00 0.14 H new ATOM 0 HD1 PHE A 75 9.545 8.537 5.933 1.00 -0.15 H new ATOM 0 HD2 PHE A 75 9.184 11.361 2.706 1.00 -0.15 H new ATOM 0 HE1 PHE A 75 7.628 7.251 5.012 1.00 -0.15 H new ATOM 0 HE2 PHE A 75 7.143 10.190 1.906 1.00 -0.15 H new ATOM 0 HZ PHE A 75 6.355 8.140 3.070 1.00 -0.15 H new ATOM 1232 N ASP A 76 12.769 10.455 7.053 1.00 -0.73 N ATOM 1233 CA ASP A 76 14.157 10.383 7.501 1.00 0.36 C ATOM 1234 C ASP A 76 15.148 10.444 6.323 1.00 0.57 C ATOM 1235 O ASP A 76 16.210 11.045 6.486 1.00 -0.57 O ATOM 1236 CB ASP A 76 14.318 9.012 8.197 1.00 0.06 C ATOM 1237 CG ASP A 76 13.905 7.857 7.274 1.00 0.66 C ATOM 1238 OD1 ASP A 76 12.732 7.783 6.947 1.00 -0.57 O ATOM 1239 OD2 ASP A 76 14.823 7.031 6.781 1.00 -0.65 O ATOM 0 H ASP A 76 12.411 9.534 6.801 1.00 -0.73 H new ATOM 0 HA ASP A 76 14.372 11.226 8.157 1.00 0.36 H new ATOM 0 HB2 ASP A 76 15.355 8.879 8.505 1.00 0.06 H new ATOM 0 HB3 ASP A 76 13.711 8.990 9.102 1.00 0.06 H new ATOM 1245 N GLY A 77 14.841 9.828 5.169 1.00 -0.73 N ATOM 1246 CA GLY A 77 15.781 9.660 4.058 1.00 0.36 C ATOM 1247 C GLY A 77 16.107 8.173 3.795 1.00 0.57 C ATOM 1248 O GLY A 77 15.234 7.332 3.973 1.00 -0.57 O ATOM 0 H GLY A 77 13.921 9.429 4.983 1.00 -0.73 H new ATOM 0 HA2 GLY A 77 15.359 10.104 3.156 1.00 0.36 H new ATOM 0 HA3 GLY A 77 16.702 10.200 4.278 1.00 0.36 H new ATOM 1252 N PRO A 78 17.326 7.810 3.354 1.00 -0.66 N ATOM 1253 CA PRO A 78 17.696 6.452 2.930 1.00 0.36 C ATOM 1254 C PRO A 78 17.871 5.428 4.084 1.00 0.57 C ATOM 1255 O PRO A 78 18.988 5.000 4.389 1.00 -0.57 O ATOM 1256 CB PRO A 78 18.934 6.643 2.040 1.00 0.00 C ATOM 1257 CG PRO A 78 19.562 7.956 2.501 1.00 0.00 C ATOM 1258 CD PRO A 78 18.407 8.751 3.105 1.00 0.30 C ATOM 0 HA PRO A 78 16.884 5.978 2.379 1.00 0.36 H new ATOM 0 HB2 PRO A 78 19.631 5.813 2.152 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.658 6.687 0.986 1.00 0.00 H new ATOM 0 HG2 PRO A 78 20.349 7.782 3.235 1.00 0.00 H new ATOM 0 HG3 PRO A 78 20.017 8.491 1.667 1.00 0.00 H new ATOM 0 HD2 PRO A 78 18.716 9.237 4.031 1.00 0.30 H new ATOM 0 HD3 PRO A 78 18.083 9.538 2.424 1.00 0.30 H new ATOM 1266 N GLY A 79 16.776 4.990 4.724 1.00 -0.73 N ATOM 1267 CA GLY A 79 16.777 4.041 5.842 1.00 0.36 C ATOM 1268 C GLY A 79 15.392 3.931 6.499 1.00 0.57 C ATOM 1269 O GLY A 79 14.415 4.381 5.927 1.00 -0.57 O ATOM 0 H GLY A 79 15.838 5.297 4.468 1.00 -0.73 H new ATOM 0 HA2 GLY A 79 17.089 3.059 5.485 1.00 0.36 H new ATOM 0 HA3 GLY A 79 17.508 4.357 6.586 1.00 0.36 H new ATOM 1273 N ASN A 80 15.288 3.375 7.710 1.00 -0.73 N ATOM 1274 CA ASN A 80 14.095 3.424 8.580 1.00 0.36 C ATOM 1275 C ASN A 80 12.750 3.292 7.816 1.00 0.57 C ATOM 1276 O ASN A 80 12.584 2.348 7.052 1.00 -0.57 O ATOM 1277 CB ASN A 80 14.149 4.683 9.479 1.00 0.06 C ATOM 1278 CG ASN A 80 15.509 5.009 10.099 1.00 0.57 C ATOM 1279 OD1 ASN A 80 16.427 4.194 10.133 1.00 -0.57 O ATOM 1280 ND2 ASN A 80 15.672 6.237 10.567 1.00 -0.80 N ATOM 0 H ASN A 80 16.058 2.857 8.133 1.00 -0.73 H new ATOM 0 HA ASN A 80 14.125 2.540 9.216 1.00 0.36 H new ATOM 0 HB2 ASN A 80 13.827 5.541 8.888 1.00 0.06 H new ATOM 0 HB3 ASN A 80 13.425 4.561 10.285 1.00 0.06 H new ATOM 0 HD21 ASN A 80 16.569 6.517 10.963 1.00 -0.80 H new ATOM 0 HD22 ASN A 80 14.900 6.903 10.532 1.00 -0.80 H new ATOM 1287 N THR A 81 11.785 4.195 8.048 1.00 -0.73 N ATOM 1288 CA THR A 81 10.496 4.304 7.367 1.00 0.36 C ATOM 1289 C THR A 81 10.682 4.657 5.875 1.00 0.57 C ATOM 1290 O THR A 81 11.196 5.724 5.553 1.00 -0.57 O ATOM 1291 CB THR A 81 9.661 5.391 8.085 1.00 0.28 C ATOM 1292 OG1 THR A 81 9.817 5.329 9.495 1.00 -0.68 O ATOM 1293 CG2 THR A 81 8.161 5.283 7.795 1.00 0.00 C ATOM 0 H THR A 81 11.897 4.913 8.764 1.00 -0.73 H new ATOM 0 HA THR A 81 9.978 3.346 7.408 1.00 0.36 H new ATOM 0 HB THR A 81 10.042 6.334 7.693 1.00 0.28 H new ATOM 0 HG1 THR A 81 9.277 6.031 9.915 1.00 -0.68 H new ATOM 0 HG21 THR A 81 7.630 6.072 8.327 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.989 5.388 6.724 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.795 4.312 8.128 1.00 0.00 H new ATOM 1301 N LEU A 82 10.240 3.797 4.952 1.00 -0.73 N ATOM 1302 CA LEU A 82 10.400 3.965 3.504 1.00 0.36 C ATOM 1303 C LEU A 82 9.191 4.646 2.847 1.00 0.57 C ATOM 1304 O LEU A 82 9.341 5.381 1.866 1.00 -0.57 O ATOM 1305 CB LEU A 82 10.615 2.587 2.849 1.00 0.00 C ATOM 1306 CG LEU A 82 11.918 1.882 3.288 1.00 0.00 C ATOM 1307 CD1 LEU A 82 11.781 0.924 4.477 1.00 0.00 C ATOM 1308 CD2 LEU A 82 12.456 1.038 2.145 1.00 0.00 C ATOM 0 H LEU A 82 9.746 2.939 5.199 1.00 -0.73 H new ATOM 0 HA LEU A 82 11.265 4.611 3.351 1.00 0.36 H new ATOM 0 HB2 LEU A 82 9.767 1.945 3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.626 2.708 1.766 1.00 0.00 H new ATOM 0 HG LEU A 82 12.573 2.702 3.583 1.00 0.00 H new ATOM 0 HD11 LEU A 82 12.752 0.483 4.703 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.420 1.473 5.347 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.073 0.134 4.228 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.375 0.543 2.459 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.716 0.287 1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.664 1.677 1.287 1.00 0.00 H new ATOM 1320 N ALA A 83 7.985 4.394 3.366 1.00 -0.73 N ATOM 1321 CA ALA A 83 6.730 4.923 2.853 1.00 0.36 C ATOM 1322 C ALA A 83 5.699 4.844 3.980 1.00 0.57 C ATOM 1323 O ALA A 83 5.858 4.043 4.897 1.00 -0.57 O ATOM 1324 CB ALA A 83 6.286 4.102 1.632 1.00 0.00 C ATOM 0 H ALA A 83 7.858 3.795 4.182 1.00 -0.73 H new ATOM 0 HA ALA A 83 6.840 5.959 2.531 1.00 0.36 H new ATOM 0 HB1 ALA A 83 5.346 4.499 1.249 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.049 4.163 0.856 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.148 3.061 1.924 1.00 0.00 H new ATOM 1330 N HIS A 84 4.650 5.660 3.938 1.00 -0.73 N ATOM 1331 CA HIS A 84 3.580 5.649 4.924 1.00 0.36 C ATOM 1332 C HIS A 84 2.252 5.909 4.217 1.00 0.57 C ATOM 1333 O HIS A 84 2.226 6.481 3.129 1.00 -0.57 O ATOM 1334 CB HIS A 84 3.867 6.660 6.054 1.00 0.17 C ATOM 1335 CG HIS A 84 4.085 8.107 5.651 1.00 0.18 C ATOM 1336 ND1 HIS A 84 5.140 8.904 6.038 1.00 -0.70 N ATOM 1337 CD2 HIS A 84 3.233 8.908 4.937 1.00 0.20 C ATOM 1338 CE1 HIS A 84 4.935 10.141 5.553 1.00 0.65 C ATOM 1339 NE2 HIS A 84 3.783 10.194 4.867 1.00 -0.70 N ATOM 0 H HIS A 84 4.520 6.358 3.205 1.00 -0.73 H new ATOM 0 HA HIS A 84 3.520 4.672 5.403 1.00 0.36 H new ATOM 0 HB2 HIS A 84 3.034 6.627 6.757 1.00 0.17 H new ATOM 0 HB3 HIS A 84 4.752 6.322 6.593 1.00 0.17 H new ATOM 0 HD2 HIS A 84 2.294 8.599 4.501 1.00 0.20 H new ATOM 0 HE1 HIS A 84 5.605 10.976 5.696 1.00 0.65 H new ATOM 0 HE2 HIS A 84 3.388 11.006 4.391 1.00 -0.70 H new ATOM 1348 N ALA A 85 1.139 5.536 4.845 1.00 -0.73 N ATOM 1349 CA ALA A 85 -0.189 5.723 4.290 1.00 0.36 C ATOM 1350 C ALA A 85 -1.196 5.844 5.420 1.00 0.57 C ATOM 1351 O ALA A 85 -0.882 5.542 6.577 1.00 -0.57 O ATOM 1352 CB ALA A 85 -0.536 4.539 3.381 1.00 0.00 C ATOM 0 H ALA A 85 1.140 5.091 5.763 1.00 -0.73 H new ATOM 0 HA ALA A 85 -0.217 6.637 3.697 1.00 0.36 H new ATOM 0 HB1 ALA A 85 -1.533 4.680 2.965 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.190 4.477 2.571 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.512 3.616 3.961 1.00 0.00 H new ATOM 1358 N PHE A 86 -2.405 6.282 5.073 1.00 -0.73 N ATOM 1359 CA PHE A 86 -3.429 6.625 6.046 1.00 0.36 C ATOM 1360 C PHE A 86 -4.662 5.741 5.825 1.00 0.57 C ATOM 1361 O PHE A 86 -4.915 5.273 4.714 1.00 -0.57 O ATOM 1362 CB PHE A 86 -3.742 8.129 5.944 1.00 0.14 C ATOM 1363 CG PHE A 86 -2.560 9.041 5.606 1.00 -0.14 C ATOM 1364 CD1 PHE A 86 -1.424 9.134 6.436 1.00 -0.15 C ATOM 1365 CD2 PHE A 86 -2.582 9.774 4.409 1.00 -0.15 C ATOM 1366 CE1 PHE A 86 -0.344 9.961 6.067 1.00 -0.15 C ATOM 1367 CE2 PHE A 86 -1.519 10.615 4.046 1.00 -0.15 C ATOM 1368 CZ PHE A 86 -0.394 10.712 4.880 1.00 -0.15 C ATOM 0 H PHE A 86 -2.698 6.408 4.104 1.00 -0.73 H new ATOM 0 HA PHE A 86 -3.079 6.435 7.061 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -4.511 8.269 5.185 1.00 0.14 H new ATOM 0 HB3 PHE A 86 -4.168 8.456 6.893 1.00 0.14 H new ATOM 0 HD1 PHE A 86 -1.381 8.570 7.356 1.00 -0.15 H new ATOM 0 HD2 PHE A 86 -3.436 9.689 3.753 1.00 -0.15 H new ATOM 0 HE1 PHE A 86 0.528 10.018 6.701 1.00 -0.15 H new ATOM 0 HE2 PHE A 86 -1.566 11.185 3.130 1.00 -0.15 H new ATOM 0 HZ PHE A 86 0.428 11.359 4.611 1.00 -0.15 H new ATOM 1378 N ALA A 87 -5.433 5.506 6.895 1.00 -0.73 N ATOM 1379 CA ALA A 87 -6.644 4.681 6.854 1.00 0.36 C ATOM 1380 C ALA A 87 -7.697 5.338 5.950 1.00 0.57 C ATOM 1381 O ALA A 87 -7.679 6.562 5.835 1.00 -0.57 O ATOM 1382 CB ALA A 87 -7.199 4.521 8.278 1.00 0.00 C ATOM 0 H ALA A 87 -5.231 5.887 7.819 1.00 -0.73 H new ATOM 0 HA ALA A 87 -6.399 3.699 6.449 1.00 0.36 H new ATOM 0 HB1 ALA A 87 -8.100 3.908 8.251 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.451 4.039 8.908 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.440 5.502 8.687 1.00 0.00 H new ATOM 1388 N PRO A 88 -8.628 4.582 5.338 1.00 -0.66 N ATOM 1389 CA PRO A 88 -9.690 5.171 4.532 1.00 0.36 C ATOM 1390 C PRO A 88 -10.635 6.017 5.387 1.00 0.57 C ATOM 1391 O PRO A 88 -10.690 5.863 6.605 1.00 -0.57 O ATOM 1392 CB PRO A 88 -10.421 4.003 3.877 1.00 0.00 C ATOM 1393 CG PRO A 88 -10.064 2.775 4.697 1.00 0.00 C ATOM 1394 CD PRO A 88 -8.777 3.139 5.439 1.00 0.30 C ATOM 0 HA PRO A 88 -9.285 5.849 3.781 1.00 0.36 H new ATOM 0 HB2 PRO A 88 -11.498 4.170 3.872 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -10.113 3.882 2.839 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.862 2.524 5.396 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.915 1.905 4.057 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.831 2.828 6.482 1.00 0.30 H new ATOM 0 HD3 PRO A 88 -7.920 2.630 4.999 1.00 0.30 H new ATOM 1402 N GLY A 89 -11.426 6.879 4.752 1.00 -0.73 N ATOM 1403 CA GLY A 89 -12.384 7.713 5.459 1.00 0.36 C ATOM 1404 C GLY A 89 -12.966 8.732 4.494 1.00 0.57 C ATOM 1405 O GLY A 89 -13.836 8.397 3.695 1.00 -0.57 O ATOM 0 H GLY A 89 -11.419 7.016 3.741 1.00 -0.73 H new ATOM 0 HA2 GLY A 89 -13.179 7.098 5.880 1.00 0.36 H new ATOM 0 HA3 GLY A 89 -11.898 8.220 6.293 1.00 0.36 H new ATOM 1409 N THR A 90 -12.454 9.965 4.542 1.00 -0.73 N ATOM 1410 CA THR A 90 -12.895 11.045 3.672 1.00 0.36 C ATOM 1411 C THR A 90 -11.754 12.070 3.604 1.00 0.57 C ATOM 1412 O THR A 90 -11.301 12.576 4.631 1.00 -0.57 O ATOM 1413 CB THR A 90 -14.254 11.579 4.201 1.00 0.28 C ATOM 1414 OG1 THR A 90 -14.919 12.412 3.273 1.00 -0.68 O ATOM 1415 CG2 THR A 90 -14.196 12.311 5.548 1.00 0.00 C ATOM 0 H THR A 90 -11.717 10.238 5.192 1.00 -0.73 H new ATOM 0 HA THR A 90 -13.091 10.736 2.645 1.00 0.36 H new ATOM 0 HB THR A 90 -14.817 10.658 4.353 1.00 0.28 H new ATOM 0 HG1 THR A 90 -15.767 12.717 3.657 1.00 -0.68 H new ATOM 0 HG21 THR A 90 -15.197 12.642 5.825 1.00 0.00 H new ATOM 0 HG22 THR A 90 -13.812 11.636 6.313 1.00 0.00 H new ATOM 0 HG23 THR A 90 -13.538 13.176 5.464 1.00 0.00 H new ATOM 1423 N GLY A 91 -11.227 12.331 2.402 1.00 -0.73 N ATOM 1424 CA GLY A 91 -10.174 13.318 2.195 1.00 0.36 C ATOM 1425 C GLY A 91 -8.807 12.648 2.237 1.00 0.57 C ATOM 1426 O GLY A 91 -8.579 11.751 1.431 1.00 -0.57 O ATOM 0 H GLY A 91 -11.523 11.860 1.547 1.00 -0.73 H new ATOM 0 HA2 GLY A 91 -10.314 13.814 1.234 1.00 0.36 H new ATOM 0 HA3 GLY A 91 -10.233 14.089 2.963 1.00 0.36 H new ATOM 1430 N LEU A 92 -7.924 13.080 3.154 1.00 -0.73 N ATOM 1431 CA LEU A 92 -6.559 12.557 3.311 1.00 0.36 C ATOM 1432 C LEU A 92 -6.560 11.037 3.545 1.00 0.57 C ATOM 1433 O LEU A 92 -5.599 10.356 3.204 1.00 -0.57 O ATOM 1434 CB LEU A 92 -5.835 13.270 4.472 1.00 0.00 C ATOM 1435 CG LEU A 92 -4.316 12.950 4.552 1.00 0.00 C ATOM 1436 CD1 LEU A 92 -3.464 13.980 3.801 1.00 0.00 C ATOM 1437 CD2 LEU A 92 -3.856 12.844 6.009 1.00 0.00 C ATOM 0 H LEU A 92 -8.146 13.819 3.821 1.00 -0.73 H new ATOM 0 HA LEU A 92 -6.024 12.755 2.382 1.00 0.36 H new ATOM 0 HB2 LEU A 92 -5.965 14.347 4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.307 12.985 5.412 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.172 11.986 4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.411 13.713 3.886 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.751 13.992 2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.624 14.968 4.232 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.790 12.620 6.039 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.042 13.789 6.519 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.408 12.048 6.508 1.00 0.00 H new ATOM 1449 N GLY A 93 -7.628 10.482 4.128 1.00 -0.73 N ATOM 1450 CA GLY A 93 -7.736 9.044 4.303 1.00 0.36 C ATOM 1451 C GLY A 93 -7.425 8.289 3.006 1.00 0.57 C ATOM 1452 O GLY A 93 -7.717 8.777 1.907 1.00 -0.57 O ATOM 0 H GLY A 93 -8.424 11.012 4.483 1.00 -0.73 H new ATOM 0 HA2 GLY A 93 -7.050 8.720 5.086 1.00 0.36 H new ATOM 0 HA3 GLY A 93 -8.743 8.793 4.638 1.00 0.36 H new ATOM 1456 N GLY A 94 -6.786 7.125 3.147 1.00 -0.73 N ATOM 1457 CA GLY A 94 -6.340 6.269 2.058 1.00 0.36 C ATOM 1458 C GLY A 94 -5.037 6.717 1.416 1.00 0.57 C ATOM 1459 O GLY A 94 -4.336 5.872 0.852 1.00 -0.57 O ATOM 0 H GLY A 94 -6.558 6.742 4.064 1.00 -0.73 H new ATOM 0 HA2 GLY A 94 -6.218 5.253 2.434 1.00 0.36 H new ATOM 0 HA3 GLY A 94 -7.117 6.235 1.294 1.00 0.36 H new ATOM 1463 N ASP A 95 -4.715 8.013 1.466 1.00 -0.73 N ATOM 1464 CA ASP A 95 -3.607 8.558 0.693 1.00 0.36 C ATOM 1465 C ASP A 95 -2.301 7.977 1.223 1.00 0.57 C ATOM 1466 O ASP A 95 -2.190 7.600 2.397 1.00 -0.57 O ATOM 1467 CB ASP A 95 -3.666 10.105 0.692 1.00 0.06 C ATOM 1468 CG ASP A 95 -4.981 10.567 0.051 1.00 0.66 C ATOM 1469 OD1 ASP A 95 -5.406 9.942 -0.907 1.00 -0.57 O ATOM 1470 OD2 ASP A 95 -5.700 11.571 0.544 1.00 -0.65 O ATOM 0 H ASP A 95 -5.209 8.700 2.035 1.00 -0.73 H new ATOM 0 HA ASP A 95 -3.676 8.267 -0.355 1.00 0.36 H new ATOM 0 HB2 ASP A 95 -3.594 10.483 1.712 1.00 0.06 H new ATOM 0 HB3 ASP A 95 -2.818 10.511 0.141 1.00 0.06 H new ATOM 1476 N ALA A 96 -1.323 7.864 0.326 1.00 -0.73 N ATOM 1477 CA ALA A 96 -0.082 7.163 0.579 1.00 0.36 C ATOM 1478 C ALA A 96 1.075 8.004 0.070 1.00 0.57 C ATOM 1479 O ALA A 96 0.986 8.723 -0.932 1.00 -0.57 O ATOM 1480 CB ALA A 96 -0.109 5.772 -0.064 1.00 0.00 C ATOM 0 H ALA A 96 -1.379 8.266 -0.610 1.00 -0.73 H new ATOM 0 HA ALA A 96 0.048 7.012 1.651 1.00 0.36 H new ATOM 0 HB1 ALA A 96 0.832 5.260 0.137 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.933 5.194 0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.245 5.872 -1.141 1.00 0.00 H new ATOM 1486 N HIS A 97 2.186 7.900 0.788 1.00 -0.73 N ATOM 1487 CA HIS A 97 3.331 8.759 0.630 1.00 0.36 C ATOM 1488 C HIS A 97 4.589 7.921 0.740 1.00 0.57 C ATOM 1489 O HIS A 97 4.643 6.968 1.507 1.00 -0.57 O ATOM 1490 CB HIS A 97 3.293 9.872 1.681 1.00 0.17 C ATOM 1491 CG HIS A 97 3.141 11.259 1.125 1.00 0.18 C ATOM 1492 ND1 HIS A 97 3.497 12.392 1.819 1.00 -0.70 N ATOM 1493 CD2 HIS A 97 2.598 11.632 -0.074 1.00 0.20 C ATOM 1494 CE1 HIS A 97 3.206 13.445 1.034 1.00 0.65 C ATOM 1495 NE2 HIS A 97 2.669 13.008 -0.124 1.00 -0.70 N ATOM 0 H HIS A 97 2.309 7.194 1.513 1.00 -0.73 H new ATOM 0 HA HIS A 97 3.320 9.236 -0.350 1.00 0.36 H new ATOM 0 HB2 HIS A 97 2.467 9.678 2.366 1.00 0.17 H new ATOM 0 HB3 HIS A 97 4.211 9.830 2.268 1.00 0.17 H new ATOM 0 HD2 HIS A 97 2.193 10.978 -0.832 1.00 0.20 H new ATOM 0 HE1 HIS A 97 3.376 14.480 1.291 1.00 0.65 H new ATOM 0 HE2 HIS A 97 2.368 13.594 -0.902 1.00 -0.70 H new ATOM 1504 N PHE A 98 5.596 8.292 -0.034 1.00 -0.73 N ATOM 1505 CA PHE A 98 6.769 7.481 -0.288 1.00 0.36 C ATOM 1506 C PHE A 98 7.974 8.408 -0.260 1.00 0.57 C ATOM 1507 O PHE A 98 7.860 9.585 -0.614 1.00 -0.57 O ATOM 1508 CB PHE A 98 6.622 6.843 -1.674 1.00 0.14 C ATOM 1509 CG PHE A 98 5.576 5.749 -1.790 1.00 -0.14 C ATOM 1510 CD1 PHE A 98 4.205 6.077 -1.848 1.00 -0.15 C ATOM 1511 CD2 PHE A 98 5.967 4.398 -1.846 1.00 -0.15 C ATOM 1512 CE1 PHE A 98 3.237 5.061 -1.866 1.00 -0.15 C ATOM 1513 CE2 PHE A 98 4.995 3.384 -1.907 1.00 -0.15 C ATOM 1514 CZ PHE A 98 3.631 3.717 -1.898 1.00 -0.15 C ATOM 0 H PHE A 98 5.618 9.191 -0.515 1.00 -0.73 H new ATOM 0 HA PHE A 98 6.887 6.693 0.455 1.00 0.36 H new ATOM 0 HB2 PHE A 98 6.381 7.628 -2.391 1.00 0.14 H new ATOM 0 HB3 PHE A 98 7.587 6.430 -1.967 1.00 0.14 H new ATOM 0 HD1 PHE A 98 3.900 7.112 -1.879 1.00 -0.15 H new ATOM 0 HD2 PHE A 98 7.016 4.140 -1.842 1.00 -0.15 H new ATOM 0 HE1 PHE A 98 2.187 5.315 -1.855 1.00 -0.15 H new ATOM 0 HE2 PHE A 98 5.298 2.349 -1.961 1.00 -0.15 H new ATOM 0 HZ PHE A 98 2.885 2.936 -1.916 1.00 -0.15 H new ATOM 1524 N ASP A 99 9.128 7.892 0.144 1.00 -0.73 N ATOM 1525 CA ASP A 99 10.345 8.683 0.174 1.00 0.36 C ATOM 1526 C ASP A 99 11.103 8.443 -1.142 1.00 0.57 C ATOM 1527 O ASP A 99 11.750 7.414 -1.308 1.00 -0.57 O ATOM 1528 CB ASP A 99 11.118 8.319 1.447 1.00 0.06 C ATOM 1529 CG ASP A 99 12.206 9.337 1.789 1.00 0.66 C ATOM 1530 OD1 ASP A 99 13.265 8.912 2.220 1.00 -0.57 O ATOM 1531 OD2 ASP A 99 11.921 10.629 1.650 1.00 -0.65 O ATOM 0 H ASP A 99 9.244 6.928 0.455 1.00 -0.73 H new ATOM 0 HA ASP A 99 10.163 9.756 0.227 1.00 0.36 H new ATOM 0 HB2 ASP A 99 10.421 8.245 2.282 1.00 0.06 H new ATOM 0 HB3 ASP A 99 11.572 7.336 1.323 1.00 0.06 H new ATOM 1537 N GLU A 100 10.986 9.350 -2.125 1.00 -0.73 N ATOM 1538 CA GLU A 100 11.687 9.339 -3.424 1.00 0.36 C ATOM 1539 C GLU A 100 13.215 9.290 -3.248 1.00 0.57 C ATOM 1540 O GLU A 100 13.947 8.866 -4.151 1.00 -0.57 O ATOM 1541 CB GLU A 100 11.339 10.627 -4.210 1.00 0.00 C ATOM 1542 CG GLU A 100 11.758 10.629 -5.697 1.00 0.06 C ATOM 1543 CD GLU A 100 12.138 12.036 -6.209 1.00 0.66 C ATOM 1544 OE1 GLU A 100 13.293 12.392 -6.046 1.00 -0.57 O ATOM 1545 OE2 GLU A 100 11.212 12.786 -6.799 1.00 -0.65 O ATOM 0 H GLU A 100 10.367 10.155 -2.032 1.00 -0.73 H new ATOM 0 HA GLU A 100 11.363 8.448 -3.961 1.00 0.36 H new ATOM 0 HB2 GLU A 100 10.262 10.787 -4.153 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.814 11.474 -3.715 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.605 9.957 -5.832 1.00 0.06 H new ATOM 0 HG3 GLU A 100 10.940 10.236 -6.301 1.00 0.06 H new ATOM 1553 N ASP A 101 13.700 9.760 -2.091 1.00 -0.73 N ATOM 1554 CA ASP A 101 15.114 9.672 -1.743 1.00 0.36 C ATOM 1555 C ASP A 101 15.564 8.210 -1.729 1.00 0.57 C ATOM 1556 O ASP A 101 16.626 7.881 -2.262 1.00 -0.57 O ATOM 1557 CB ASP A 101 15.384 10.324 -0.381 1.00 0.06 C ATOM 1558 CG ASP A 101 16.878 10.654 -0.235 1.00 0.66 C ATOM 1559 OD1 ASP A 101 17.232 11.809 -0.405 1.00 -0.57 O ATOM 1560 OD2 ASP A 101 17.723 9.656 0.008 1.00 -0.65 O ATOM 0 H ASP A 101 13.124 10.208 -1.378 1.00 -0.73 H new ATOM 0 HA ASP A 101 15.686 10.211 -2.498 1.00 0.36 H new ATOM 0 HB2 ASP A 101 14.792 11.234 -0.282 1.00 0.06 H new ATOM 0 HB3 ASP A 101 15.073 9.653 0.419 1.00 0.06 H new ATOM 1566 N GLU A 102 14.726 7.328 -1.174 1.00 -0.73 N ATOM 1567 CA GLU A 102 15.011 5.908 -1.115 1.00 0.36 C ATOM 1568 C GLU A 102 14.917 5.332 -2.519 1.00 0.57 C ATOM 1569 O GLU A 102 13.987 5.622 -3.266 1.00 -0.57 O ATOM 1570 CB GLU A 102 14.055 5.202 -0.145 1.00 0.00 C ATOM 1571 CG GLU A 102 14.258 5.760 1.267 1.00 0.06 C ATOM 1572 CD GLU A 102 14.488 4.699 2.326 1.00 0.66 C ATOM 1573 OE1 GLU A 102 13.773 4.783 3.311 1.00 -0.57 O ATOM 1574 OE2 GLU A 102 15.488 3.836 2.172 1.00 -0.65 O ATOM 0 H GLU A 102 13.833 7.588 -0.755 1.00 -0.73 H new ATOM 0 HA GLU A 102 16.020 5.747 -0.735 1.00 0.36 H new ATOM 0 HB2 GLU A 102 13.023 5.351 -0.462 1.00 0.00 H new ATOM 0 HB3 GLU A 102 14.239 4.128 -0.153 1.00 0.00 H new ATOM 0 HG2 GLU A 102 15.110 6.440 1.258 1.00 0.06 H new ATOM 0 HG3 GLU A 102 13.383 6.349 1.542 1.00 0.06 H new ATOM 1582 N ARG A 103 15.900 4.509 -2.896 1.00 -0.73 N ATOM 1583 CA ARG A 103 15.904 3.857 -4.198 1.00 0.36 C ATOM 1584 C ARG A 103 14.679 2.961 -4.331 1.00 0.57 C ATOM 1585 O ARG A 103 14.438 2.122 -3.464 1.00 -0.57 O ATOM 1586 CB ARG A 103 17.173 3.018 -4.372 1.00 0.00 C ATOM 1587 CG ARG A 103 18.408 3.882 -4.643 1.00 0.00 C ATOM 1588 CD ARG A 103 19.645 2.992 -4.838 1.00 0.33 C ATOM 1589 NE ARG A 103 20.292 3.218 -6.143 1.00 -0.84 N ATOM 1590 CZ ARG A 103 21.184 4.177 -6.449 1.00 1.20 C ATOM 1591 NH1 ARG A 103 21.573 5.071 -5.534 1.00 -0.97 N ATOM 1592 NH2 ARG A 103 21.688 4.232 -7.681 1.00 -0.97 N ATOM 0 H ARG A 103 16.704 4.281 -2.311 1.00 -0.73 H new ATOM 0 HA ARG A 103 15.880 4.625 -4.971 1.00 0.36 H new ATOM 0 HB2 ARG A 103 17.339 2.423 -3.474 1.00 0.00 H new ATOM 0 HB3 ARG A 103 17.033 2.319 -5.196 1.00 0.00 H new ATOM 0 HG2 ARG A 103 18.246 4.492 -5.532 1.00 0.00 H new ATOM 0 HG3 ARG A 103 18.571 4.567 -3.811 1.00 0.00 H new ATOM 0 HD2 ARG A 103 20.361 3.188 -4.040 1.00 0.33 H new ATOM 0 HD3 ARG A 103 19.354 1.945 -4.755 1.00 0.33 H new ATOM 0 HE ARG A 103 20.036 2.578 -6.895 1.00 -0.84 H new ATOM 0 HH11 ARG A 103 21.192 5.032 -4.588 1.00 -0.97 H new ATOM 0 HH12 ARG A 103 22.250 5.792 -5.782 1.00 -0.97 H new ATOM 0 HH21 ARG A 103 21.397 3.551 -8.382 1.00 -0.97 H new ATOM 0 HH22 ARG A 103 22.365 4.955 -7.923 1.00 -0.97 H new ATOM 1606 N TRP A 104 13.992 3.057 -5.464 1.00 -0.73 N ATOM 1607 CA TRP A 104 12.795 2.293 -5.774 1.00 0.36 C ATOM 1608 C TRP A 104 13.113 1.437 -6.999 1.00 0.57 C ATOM 1609 O TRP A 104 13.781 1.930 -7.902 1.00 -0.57 O ATOM 1610 CB TRP A 104 11.649 3.286 -6.041 1.00 0.18 C ATOM 1611 CG TRP A 104 11.187 4.058 -4.837 1.00 -0.18 C ATOM 1612 CD1 TRP A 104 11.388 5.374 -4.585 1.00 -0.30 C ATOM 1613 CD2 TRP A 104 10.562 3.531 -3.629 1.00 0.00 C ATOM 1614 NE1 TRP A 104 10.934 5.687 -3.319 1.00 0.03 N ATOM 1615 CE2 TRP A 104 10.403 4.589 -2.689 1.00 -0.15 C ATOM 1616 CE3 TRP A 104 10.197 2.240 -3.200 1.00 -0.15 C ATOM 1617 CZ2 TRP A 104 9.887 4.391 -1.401 1.00 -0.15 C ATOM 1618 CZ3 TRP A 104 9.685 2.029 -1.908 1.00 -0.15 C ATOM 1619 CH2 TRP A 104 9.512 3.097 -1.012 1.00 -0.15 C ATOM 0 H TRP A 104 14.264 3.691 -6.215 1.00 -0.73 H new ATOM 0 HA TRP A 104 12.487 1.639 -4.958 1.00 0.36 H new ATOM 0 HB2 TRP A 104 11.971 3.993 -6.806 1.00 0.18 H new ATOM 0 HB3 TRP A 104 10.801 2.738 -6.450 1.00 0.18 H new ATOM 0 HD1 TRP A 104 11.837 6.075 -5.273 1.00 -0.30 H new ATOM 0 HE1 TRP A 104 10.987 6.617 -2.904 1.00 0.03 H new ATOM 0 HE3 TRP A 104 10.312 1.402 -3.872 1.00 -0.15 H new ATOM 0 HZ2 TRP A 104 9.780 5.222 -0.719 1.00 -0.15 H new ATOM 0 HZ3 TRP A 104 9.420 1.029 -1.599 1.00 -0.15 H new ATOM 0 HH2 TRP A 104 9.094 2.923 -0.032 1.00 -0.15 H new ATOM 1630 N THR A 105 12.644 0.187 -7.055 1.00 -0.73 N ATOM 1631 CA THR A 105 12.837 -0.703 -8.206 1.00 0.36 C ATOM 1632 C THR A 105 11.555 -1.496 -8.456 1.00 0.57 C ATOM 1633 O THR A 105 10.846 -1.818 -7.503 1.00 -0.57 O ATOM 1634 CB THR A 105 14.056 -1.622 -7.979 1.00 0.28 C ATOM 1635 OG1 THR A 105 14.322 -2.407 -9.125 1.00 -0.68 O ATOM 1636 CG2 THR A 105 13.894 -2.601 -6.814 1.00 0.00 C ATOM 0 H THR A 105 12.114 -0.241 -6.295 1.00 -0.73 H new ATOM 0 HA THR A 105 13.047 -0.113 -9.098 1.00 0.36 H new ATOM 0 HB THR A 105 14.870 -0.933 -7.753 1.00 0.28 H new ATOM 0 HG1 THR A 105 14.992 -3.088 -8.907 1.00 -0.68 H new ATOM 0 HG21 THR A 105 14.794 -3.209 -6.722 1.00 0.00 H new ATOM 0 HG22 THR A 105 13.737 -2.044 -5.890 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.036 -3.247 -6.999 1.00 0.00 H new ATOM 1644 N ASP A 106 11.275 -1.841 -9.718 1.00 -0.73 N ATOM 1645 CA ASP A 106 10.099 -2.613 -10.121 1.00 0.36 C ATOM 1646 C ASP A 106 10.050 -3.968 -9.407 1.00 0.57 C ATOM 1647 O ASP A 106 8.977 -4.445 -9.036 1.00 -0.57 O ATOM 1648 CB ASP A 106 10.131 -2.913 -11.637 1.00 0.06 C ATOM 1649 CG ASP A 106 10.028 -1.721 -12.589 1.00 0.66 C ATOM 1650 OD1 ASP A 106 10.191 -0.597 -12.145 1.00 -0.57 O ATOM 1651 OD2 ASP A 106 9.780 -2.007 -13.864 1.00 -0.65 O ATOM 0 H ASP A 106 11.874 -1.585 -10.503 1.00 -0.73 H new ATOM 0 HA ASP A 106 9.230 -2.009 -9.859 1.00 0.36 H new ATOM 0 HB2 ASP A 106 11.059 -3.441 -11.857 1.00 0.06 H new ATOM 0 HB3 ASP A 106 9.313 -3.597 -11.863 1.00 0.06 H new ATOM 1657 N GLY A 107 11.226 -4.598 -9.272 1.00 -0.73 N ATOM 1658 CA GLY A 107 11.375 -5.970 -8.814 1.00 0.36 C ATOM 1659 C GLY A 107 12.685 -6.575 -9.319 1.00 0.57 C ATOM 1660 O GLY A 107 12.663 -7.557 -10.061 1.00 -0.57 O ATOM 0 H GLY A 107 12.116 -4.149 -9.486 1.00 -0.73 H new ATOM 0 HA2 GLY A 107 11.353 -5.998 -7.725 1.00 0.36 H new ATOM 0 HA3 GLY A 107 10.534 -6.568 -9.165 1.00 0.36 H new ATOM 1664 N SER A 108 13.828 -5.961 -8.988 1.00 -0.73 N ATOM 1665 CA SER A 108 15.145 -6.469 -9.376 1.00 0.36 C ATOM 1666 C SER A 108 16.205 -6.010 -8.367 1.00 0.57 C ATOM 1667 O SER A 108 15.916 -5.184 -7.500 1.00 -0.57 O ATOM 1668 CB SER A 108 15.475 -5.993 -10.802 1.00 0.28 C ATOM 1669 OG SER A 108 16.394 -6.876 -11.412 1.00 -0.68 O ATOM 0 H SER A 108 13.863 -5.099 -8.444 1.00 -0.73 H new ATOM 0 HA SER A 108 15.138 -7.559 -9.372 1.00 0.36 H new ATOM 0 HB2 SER A 108 14.562 -5.940 -11.396 1.00 0.28 H new ATOM 0 HB3 SER A 108 15.893 -4.987 -10.770 1.00 0.28 H new ATOM 0 HG SER A 108 16.595 -6.564 -12.319 1.00 -0.68 H new ATOM 1675 N SER A 109 17.426 -6.544 -8.473 1.00 -0.73 N ATOM 1676 CA SER A 109 18.575 -6.208 -7.629 1.00 0.36 C ATOM 1677 C SER A 109 19.092 -4.789 -7.923 1.00 0.57 C ATOM 1678 O SER A 109 20.106 -4.629 -8.609 1.00 -0.57 O ATOM 1679 CB SER A 109 19.670 -7.275 -7.810 1.00 0.28 C ATOM 1680 OG SER A 109 19.366 -8.422 -7.039 1.00 -0.68 O ATOM 0 H SER A 109 17.649 -7.249 -9.176 1.00 -0.73 H new ATOM 0 HA SER A 109 18.265 -6.208 -6.584 1.00 0.36 H new ATOM 0 HB2 SER A 109 19.753 -7.547 -8.862 1.00 0.28 H new ATOM 0 HB3 SER A 109 20.636 -6.870 -7.508 1.00 0.28 H new ATOM 0 HG SER A 109 20.068 -9.095 -7.163 1.00 -0.68 H new ATOM 1686 N LEU A 110 18.386 -3.768 -7.409 1.00 -0.73 N ATOM 1687 CA LEU A 110 18.713 -2.348 -7.600 1.00 0.36 C ATOM 1688 C LEU A 110 18.475 -1.504 -6.342 1.00 0.57 C ATOM 1689 O LEU A 110 19.329 -0.698 -5.972 1.00 -0.57 O ATOM 1690 CB LEU A 110 17.855 -1.749 -8.740 1.00 0.00 C ATOM 1691 CG LEU A 110 18.679 -1.272 -9.953 1.00 0.00 C ATOM 1692 CD1 LEU A 110 18.692 -2.344 -11.047 1.00 0.00 C ATOM 1693 CD2 LEU A 110 18.105 0.037 -10.513 1.00 0.00 C ATOM 0 H LEU A 110 17.554 -3.912 -6.837 1.00 -0.73 H new ATOM 0 HA LEU A 110 19.775 -2.315 -7.843 1.00 0.36 H new ATOM 0 HB2 LEU A 110 17.136 -2.497 -9.073 1.00 0.00 H new ATOM 0 HB3 LEU A 110 17.282 -0.908 -8.348 1.00 0.00 H new ATOM 0 HG LEU A 110 19.702 -1.094 -9.621 1.00 0.00 H new ATOM 0 HD11 LEU A 110 19.278 -1.991 -11.896 1.00 0.00 H new ATOM 0 HD12 LEU A 110 19.136 -3.259 -10.655 1.00 0.00 H new ATOM 0 HD13 LEU A 110 17.671 -2.546 -11.370 1.00 0.00 H new ATOM 0 HD21 LEU A 110 18.699 0.358 -11.368 1.00 0.00 H new ATOM 0 HD22 LEU A 110 17.074 -0.123 -10.827 1.00 0.00 H new ATOM 0 HD23 LEU A 110 18.134 0.806 -9.742 1.00 0.00 H new ATOM 1705 N GLY A 111 17.305 -1.657 -5.712 1.00 -0.73 N ATOM 1706 CA GLY A 111 16.841 -0.811 -4.625 1.00 0.36 C ATOM 1707 C GLY A 111 15.699 -1.503 -3.896 1.00 0.57 C ATOM 1708 O GLY A 111 15.637 -2.732 -3.863 1.00 -0.57 O ATOM 0 H GLY A 111 16.643 -2.394 -5.956 1.00 -0.73 H new ATOM 0 HA2 GLY A 111 17.659 -0.608 -3.933 1.00 0.36 H new ATOM 0 HA3 GLY A 111 16.508 0.151 -5.015 1.00 0.36 H new ATOM 1712 N ILE A 112 14.800 -0.724 -3.295 1.00 -0.73 N ATOM 1713 CA ILE A 112 13.652 -1.272 -2.595 1.00 0.36 C ATOM 1714 C ILE A 112 12.551 -1.582 -3.602 1.00 0.57 C ATOM 1715 O ILE A 112 12.203 -0.730 -4.420 1.00 -0.57 O ATOM 1716 CB ILE A 112 13.222 -0.274 -1.508 1.00 0.00 C ATOM 1717 CG1 ILE A 112 14.298 -0.278 -0.390 1.00 0.00 C ATOM 1718 CG2 ILE A 112 11.823 -0.605 -0.980 1.00 0.00 C ATOM 1719 CD1 ILE A 112 15.062 1.042 -0.280 1.00 0.00 C ATOM 0 H ILE A 112 14.851 0.295 -3.283 1.00 -0.73 H new ATOM 0 HA ILE A 112 13.893 -2.211 -2.098 1.00 0.36 H new ATOM 0 HB ILE A 112 13.153 0.732 -1.923 1.00 0.00 H new ATOM 0 HG12 ILE A 112 13.819 -0.493 0.565 1.00 0.00 H new ATOM 0 HG13 ILE A 112 15.006 -1.085 -0.580 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.544 0.117 -0.212 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.105 -0.560 -1.799 1.00 0.00 H new ATOM 0 HG23 ILE A 112 11.823 -1.608 -0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 112 15.798 0.971 0.521 1.00 0.00 H new ATOM 0 HD12 ILE A 112 15.569 1.248 -1.222 1.00 0.00 H new ATOM 0 HD13 ILE A 112 14.364 1.849 -0.060 1.00 0.00 H new ATOM 1731 N ASN A 113 11.991 -2.796 -3.513 1.00 -0.73 N ATOM 1732 CA ASN A 113 10.876 -3.234 -4.328 1.00 0.36 C ATOM 1733 C ASN A 113 9.697 -2.277 -4.135 1.00 0.57 C ATOM 1734 O ASN A 113 8.998 -2.316 -3.116 1.00 -0.57 O ATOM 1735 CB ASN A 113 10.521 -4.690 -3.991 1.00 0.06 C ATOM 1736 CG ASN A 113 9.455 -5.239 -4.933 1.00 0.57 C ATOM 1737 OD1 ASN A 113 8.765 -4.501 -5.622 1.00 -0.57 O ATOM 1738 ND2 ASN A 113 9.261 -6.545 -4.967 1.00 -0.80 N ATOM 0 H ASN A 113 12.315 -3.506 -2.857 1.00 -0.73 H new ATOM 0 HA ASN A 113 11.146 -3.210 -5.384 1.00 0.36 H new ATOM 0 HB2 ASN A 113 11.417 -5.308 -4.054 1.00 0.06 H new ATOM 0 HB3 ASN A 113 10.165 -4.750 -2.963 1.00 0.06 H new ATOM 0 HD21 ASN A 113 8.536 -6.937 -5.568 1.00 -0.80 H new ATOM 0 HD22 ASN A 113 9.836 -7.161 -4.393 1.00 -0.80 H new ATOM 1745 N PHE A 114 9.493 -1.426 -5.139 1.00 -0.73 N ATOM 1746 CA PHE A 114 8.408 -0.469 -5.225 1.00 0.36 C ATOM 1747 C PHE A 114 7.084 -1.196 -5.125 1.00 0.57 C ATOM 1748 O PHE A 114 6.176 -0.706 -4.462 1.00 -0.57 O ATOM 1749 CB PHE A 114 8.490 0.267 -6.572 1.00 0.14 C ATOM 1750 CG PHE A 114 7.357 1.250 -6.805 1.00 -0.14 C ATOM 1751 CD1 PHE A 114 6.063 0.801 -7.143 1.00 -0.15 C ATOM 1752 CD2 PHE A 114 7.593 2.624 -6.649 1.00 -0.15 C ATOM 1753 CE1 PHE A 114 4.991 1.705 -7.206 1.00 -0.15 C ATOM 1754 CE2 PHE A 114 6.536 3.531 -6.791 1.00 -0.15 C ATOM 1755 CZ PHE A 114 5.227 3.073 -6.998 1.00 -0.15 C ATOM 0 H PHE A 114 10.112 -1.389 -5.949 1.00 -0.73 H new ATOM 0 HA PHE A 114 8.487 0.250 -4.409 1.00 0.36 H new ATOM 0 HB2 PHE A 114 9.439 0.801 -6.626 1.00 0.14 H new ATOM 0 HB3 PHE A 114 8.492 -0.468 -7.377 1.00 0.14 H new ATOM 0 HD1 PHE A 114 5.896 -0.245 -7.355 1.00 -0.15 H new ATOM 0 HD2 PHE A 114 8.586 2.981 -6.420 1.00 -0.15 H new ATOM 0 HE1 PHE A 114 3.992 1.351 -7.413 1.00 -0.15 H new ATOM 0 HE2 PHE A 114 6.730 4.592 -6.741 1.00 -0.15 H new ATOM 0 HZ PHE A 114 4.403 3.771 -6.997 1.00 -0.15 H new ATOM 1765 N LEU A 115 6.960 -2.347 -5.791 1.00 -0.73 N ATOM 1766 CA LEU A 115 5.722 -3.093 -5.811 1.00 0.36 C ATOM 1767 C LEU A 115 5.390 -3.525 -4.391 1.00 0.57 C ATOM 1768 O LEU A 115 4.250 -3.381 -3.962 1.00 -0.57 O ATOM 1769 CB LEU A 115 5.857 -4.302 -6.761 1.00 0.00 C ATOM 1770 CG LEU A 115 4.500 -4.804 -7.289 1.00 0.00 C ATOM 1771 CD1 LEU A 115 3.944 -3.781 -8.270 1.00 0.00 C ATOM 1772 CD2 LEU A 115 4.650 -6.121 -8.058 1.00 0.00 C ATOM 0 H LEU A 115 7.716 -2.777 -6.325 1.00 -0.73 H new ATOM 0 HA LEU A 115 4.906 -2.473 -6.184 1.00 0.36 H new ATOM 0 HB2 LEU A 115 6.490 -4.026 -7.605 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.361 -5.115 -6.237 1.00 0.00 H new ATOM 0 HG LEU A 115 3.844 -4.952 -6.431 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.983 -4.127 -8.650 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.811 -2.825 -7.763 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.639 -3.658 -9.100 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.673 -6.446 -8.416 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.317 -5.973 -8.907 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.066 -6.882 -7.398 1.00 0.00 H new ATOM 1784 N TYR A 116 6.385 -4.057 -3.667 1.00 -0.73 N ATOM 1785 CA TYR A 116 6.191 -4.586 -2.319 1.00 0.36 C ATOM 1786 C TYR A 116 5.753 -3.449 -1.400 1.00 0.57 C ATOM 1787 O TYR A 116 4.806 -3.605 -0.627 1.00 -0.57 O ATOM 1788 CB TYR A 116 7.486 -5.271 -1.851 1.00 0.14 C ATOM 1789 CG TYR A 116 7.325 -6.407 -0.857 1.00 -0.14 C ATOM 1790 CD1 TYR A 116 6.715 -7.609 -1.270 1.00 -0.15 C ATOM 1791 CD2 TYR A 116 7.877 -6.311 0.435 1.00 -0.15 C ATOM 1792 CE1 TYR A 116 6.641 -8.705 -0.392 1.00 -0.15 C ATOM 1793 CE2 TYR A 116 7.830 -7.414 1.308 1.00 -0.15 C ATOM 1794 CZ TYR A 116 7.212 -8.619 0.896 1.00 0.08 C ATOM 1795 OH TYR A 116 7.154 -9.696 1.728 1.00 -0.53 O ATOM 0 H TYR A 116 7.345 -4.130 -4.004 1.00 -0.73 H new ATOM 0 HA TYR A 116 5.406 -5.342 -2.301 1.00 0.36 H new ATOM 0 HB2 TYR A 116 8.006 -5.655 -2.728 1.00 0.14 H new ATOM 0 HB3 TYR A 116 8.131 -4.514 -1.404 1.00 0.14 H new ATOM 0 HD1 TYR A 116 6.303 -7.688 -2.265 1.00 -0.15 H new ATOM 0 HD2 TYR A 116 8.338 -5.389 0.757 1.00 -0.15 H new ATOM 0 HE1 TYR A 116 6.147 -9.613 -0.703 1.00 -0.15 H new ATOM 0 HE2 TYR A 116 8.266 -7.341 2.293 1.00 -0.15 H new ATOM 0 HH TYR A 116 7.985 -10.211 1.655 1.00 -0.53 H new ATOM 1805 N ALA A 117 6.379 -2.277 -1.563 1.00 -0.73 N ATOM 1806 CA ALA A 117 6.004 -1.067 -0.852 1.00 0.36 C ATOM 1807 C ALA A 117 4.590 -0.632 -1.199 1.00 0.57 C ATOM 1808 O ALA A 117 3.775 -0.448 -0.300 1.00 -0.57 O ATOM 1809 CB ALA A 117 6.992 0.044 -1.198 1.00 0.00 C ATOM 0 H ALA A 117 7.166 -2.150 -2.200 1.00 -0.73 H new ATOM 0 HA ALA A 117 6.033 -1.272 0.218 1.00 0.36 H new ATOM 0 HB1 ALA A 117 6.716 0.955 -0.667 1.00 0.00 H new ATOM 0 HB2 ALA A 117 7.997 -0.258 -0.902 1.00 0.00 H new ATOM 0 HB3 ALA A 117 6.970 0.229 -2.272 1.00 0.00 H new ATOM 1815 N ALA A 118 4.283 -0.487 -2.490 1.00 -0.73 N ATOM 1816 CA ALA A 118 2.986 -0.041 -2.950 1.00 0.36 C ATOM 1817 C ALA A 118 1.913 -0.972 -2.418 1.00 0.57 C ATOM 1818 O ALA A 118 0.996 -0.496 -1.770 1.00 -0.57 O ATOM 1819 CB ALA A 118 2.956 0.062 -4.478 1.00 0.00 C ATOM 0 H ALA A 118 4.941 -0.680 -3.245 1.00 -0.73 H new ATOM 0 HA ALA A 118 2.787 0.959 -2.565 1.00 0.36 H new ATOM 0 HB1 ALA A 118 1.971 0.399 -4.801 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.710 0.776 -4.809 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.165 -0.915 -4.913 1.00 0.00 H new ATOM 1825 N THR A 119 2.056 -2.285 -2.593 1.00 -0.73 N ATOM 1826 CA THR A 119 1.128 -3.272 -2.058 1.00 0.36 C ATOM 1827 C THR A 119 1.007 -3.167 -0.537 1.00 0.57 C ATOM 1828 O THR A 119 -0.108 -3.264 -0.024 1.00 -0.57 O ATOM 1829 CB THR A 119 1.607 -4.652 -2.511 1.00 0.28 C ATOM 1830 OG1 THR A 119 1.565 -4.656 -3.921 1.00 -0.68 O ATOM 1831 CG2 THR A 119 0.733 -5.810 -2.032 1.00 0.00 C ATOM 0 H THR A 119 2.829 -2.695 -3.117 1.00 -0.73 H new ATOM 0 HA THR A 119 0.123 -3.092 -2.440 1.00 0.36 H new ATOM 0 HB THR A 119 2.600 -4.806 -2.088 1.00 0.28 H new ATOM 0 HG1 THR A 119 2.395 -4.274 -4.274 1.00 -0.68 H new ATOM 0 HG21 THR A 119 1.144 -6.751 -2.398 1.00 0.00 H new ATOM 0 HG22 THR A 119 0.711 -5.823 -0.942 1.00 0.00 H new ATOM 0 HG23 THR A 119 -0.280 -5.683 -2.414 1.00 0.00 H new ATOM 1839 N HIS A 120 2.115 -2.934 0.182 1.00 -0.73 N ATOM 1840 CA HIS A 120 2.062 -2.720 1.621 1.00 0.36 C ATOM 1841 C HIS A 120 1.189 -1.489 1.933 1.00 0.57 C ATOM 1842 O HIS A 120 0.230 -1.593 2.696 1.00 -0.57 O ATOM 1843 CB HIS A 120 3.493 -2.649 2.200 1.00 0.17 C ATOM 1844 CG HIS A 120 3.551 -2.541 3.705 1.00 0.18 C ATOM 1845 ND1 HIS A 120 4.169 -3.401 4.597 1.00 -0.70 N ATOM 1846 CD2 HIS A 120 2.992 -1.541 4.441 1.00 0.20 C ATOM 1847 CE1 HIS A 120 3.959 -2.933 5.841 1.00 0.65 C ATOM 1848 NE2 HIS A 120 3.222 -1.809 5.768 1.00 -0.70 N ATOM 0 H HIS A 120 3.053 -2.891 -0.216 1.00 -0.73 H new ATOM 0 HA HIS A 120 1.583 -3.564 2.118 1.00 0.36 H new ATOM 0 HB2 HIS A 120 4.042 -3.538 1.890 1.00 0.17 H new ATOM 0 HB3 HIS A 120 4.006 -1.790 1.766 1.00 0.17 H new ATOM 0 HD1 HIS A 120 4.692 -4.242 4.354 1.00 -0.70 H new ATOM 0 HD2 HIS A 120 2.461 -0.686 4.049 1.00 0.20 H new ATOM 0 HE1 HIS A 120 4.323 -3.386 6.751 1.00 0.65 H new ATOM 1857 N GLU A 121 1.488 -0.329 1.339 1.00 -0.73 N ATOM 1858 CA GLU A 121 0.771 0.915 1.619 1.00 0.36 C ATOM 1859 C GLU A 121 -0.691 0.845 1.151 1.00 0.57 C ATOM 1860 O GLU A 121 -1.606 1.213 1.890 1.00 -0.57 O ATOM 1861 CB GLU A 121 1.487 2.104 0.950 1.00 0.00 C ATOM 1862 CG GLU A 121 2.939 2.353 1.402 1.00 0.06 C ATOM 1863 CD GLU A 121 3.140 2.170 2.905 1.00 0.66 C ATOM 1864 OE1 GLU A 121 2.625 2.988 3.650 1.00 -0.57 O ATOM 1865 OE2 GLU A 121 3.804 1.098 3.328 1.00 -0.65 O ATOM 0 H GLU A 121 2.234 -0.228 0.651 1.00 -0.73 H new ATOM 0 HA GLU A 121 0.767 1.059 2.699 1.00 0.36 H new ATOM 0 HB2 GLU A 121 1.484 1.945 -0.128 1.00 0.00 H new ATOM 0 HB3 GLU A 121 0.907 3.007 1.141 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.601 1.672 0.868 1.00 0.06 H new ATOM 0 HG3 GLU A 121 3.231 3.365 1.123 1.00 0.06 H new ATOM 1873 N LEU A 122 -0.929 0.338 -0.062 1.00 -0.73 N ATOM 1874 CA LEU A 122 -2.259 0.184 -0.647 1.00 0.36 C ATOM 1875 C LEU A 122 -3.103 -0.802 0.148 1.00 0.57 C ATOM 1876 O LEU A 122 -4.311 -0.594 0.259 1.00 -0.57 O ATOM 1877 CB LEU A 122 -2.185 -0.276 -2.114 1.00 0.00 C ATOM 1878 CG LEU A 122 -2.135 0.849 -3.164 1.00 0.00 C ATOM 1879 CD1 LEU A 122 -3.386 1.731 -3.097 1.00 0.00 C ATOM 1880 CD2 LEU A 122 -0.906 1.767 -3.092 1.00 0.00 C ATOM 0 H LEU A 122 -0.182 0.016 -0.677 1.00 -0.73 H new ATOM 0 HA LEU A 122 -2.730 1.166 -0.612 1.00 0.36 H new ATOM 0 HB2 LEU A 122 -1.300 -0.901 -2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.051 -0.905 -2.323 1.00 0.00 H new ATOM 0 HG LEU A 122 -2.075 0.308 -4.108 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -3.319 2.515 -3.851 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -4.271 1.122 -3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -3.459 2.184 -2.108 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -0.970 2.523 -3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.873 2.255 -2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -0.001 1.176 -3.233 1.00 0.00 H new ATOM 1892 N GLY A 123 -2.481 -1.828 0.738 1.00 -0.73 N ATOM 1893 CA GLY A 123 -3.141 -2.707 1.680 1.00 0.36 C ATOM 1894 C GLY A 123 -3.838 -1.915 2.781 1.00 0.57 C ATOM 1895 O GLY A 123 -5.005 -2.159 3.087 1.00 -0.57 O ATOM 0 H GLY A 123 -1.503 -2.064 0.568 1.00 -0.73 H new ATOM 0 HA2 GLY A 123 -3.870 -3.324 1.155 1.00 0.36 H new ATOM 0 HA3 GLY A 123 -2.410 -3.384 2.123 1.00 0.36 H new ATOM 1899 N HIS A 124 -3.158 -0.895 3.312 1.00 -0.73 N ATOM 1900 CA HIS A 124 -3.739 -0.025 4.320 1.00 0.36 C ATOM 1901 C HIS A 124 -4.732 0.967 3.724 1.00 0.57 C ATOM 1902 O HIS A 124 -5.747 1.247 4.366 1.00 -0.57 O ATOM 1903 CB HIS A 124 -2.637 0.725 5.061 1.00 0.17 C ATOM 1904 CG HIS A 124 -1.662 -0.190 5.741 1.00 0.18 C ATOM 1905 ND1 HIS A 124 -1.956 -1.185 6.643 1.00 -0.70 N ATOM 1906 CD2 HIS A 124 -0.313 -0.209 5.539 1.00 0.20 C ATOM 1907 CE1 HIS A 124 -0.799 -1.777 6.980 1.00 0.65 C ATOM 1908 NE2 HIS A 124 0.235 -1.205 6.348 1.00 -0.70 N ATOM 0 H HIS A 124 -2.200 -0.657 3.054 1.00 -0.73 H new ATOM 0 HA HIS A 124 -4.288 -0.658 5.017 1.00 0.36 H new ATOM 0 HB2 HIS A 124 -2.100 1.360 4.357 1.00 0.17 H new ATOM 0 HB3 HIS A 124 -3.088 1.383 5.804 1.00 0.17 H new ATOM 0 HD2 HIS A 124 0.236 0.436 4.869 1.00 0.20 H new ATOM 0 HE1 HIS A 124 -0.713 -2.604 7.669 1.00 0.65 H new ATOM 0 HE2 HIS A 124 1.221 -1.448 6.440 1.00 -0.70 H new ATOM 1917 N SER A 125 -4.467 1.457 2.511 1.00 -0.73 N ATOM 1918 CA SER A 125 -5.374 2.328 1.773 1.00 0.36 C ATOM 1919 C SER A 125 -6.747 1.669 1.587 1.00 0.57 C ATOM 1920 O SER A 125 -7.775 2.339 1.689 1.00 -0.57 O ATOM 1921 CB SER A 125 -4.740 2.657 0.419 1.00 0.28 C ATOM 1922 OG SER A 125 -5.293 3.818 -0.137 1.00 -0.68 O ATOM 0 H SER A 125 -3.602 1.255 2.009 1.00 -0.73 H new ATOM 0 HA SER A 125 -5.534 3.246 2.338 1.00 0.36 H new ATOM 0 HB2 SER A 125 -3.665 2.787 0.541 1.00 0.28 H new ATOM 0 HB3 SER A 125 -4.884 1.820 -0.265 1.00 0.28 H new ATOM 0 HG SER A 125 -4.636 4.544 -0.099 1.00 -0.68 H new ATOM 1928 N LEU A 126 -6.781 0.348 1.357 1.00 -0.73 N ATOM 1929 CA LEU A 126 -8.029 -0.397 1.255 1.00 0.36 C ATOM 1930 C LEU A 126 -8.822 -0.362 2.569 1.00 0.57 C ATOM 1931 O LEU A 126 -10.051 -0.228 2.534 1.00 -0.57 O ATOM 1932 CB LEU A 126 -7.749 -1.853 0.815 1.00 0.00 C ATOM 1933 CG LEU A 126 -7.963 -2.176 -0.674 1.00 0.00 C ATOM 1934 CD1 LEU A 126 -9.355 -1.757 -1.154 1.00 0.00 C ATOM 1935 CD2 LEU A 126 -6.901 -1.571 -1.596 1.00 0.00 C ATOM 0 H LEU A 126 -5.945 -0.224 1.238 1.00 -0.73 H new ATOM 0 HA LEU A 126 -8.645 0.085 0.496 1.00 0.36 H new ATOM 0 HB2 LEU A 126 -6.717 -2.094 1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -8.386 -2.515 1.402 1.00 0.00 H new ATOM 0 HG LEU A 126 -7.869 -3.260 -0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -9.465 -2.003 -2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -10.113 -2.287 -0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -9.479 -0.683 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -7.119 -1.842 -2.629 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -6.908 -0.486 -1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.919 -1.954 -1.320 1.00 0.00 H new ATOM 1947 N GLY A 127 -8.154 -0.493 3.722 1.00 -0.73 N ATOM 1948 CA GLY A 127 -8.840 -0.626 5.003 1.00 0.36 C ATOM 1949 C GLY A 127 -7.954 -1.102 6.145 1.00 0.57 C ATOM 1950 O GLY A 127 -8.383 -1.969 6.902 1.00 -0.57 O ATOM 0 H GLY A 127 -7.136 -0.509 3.789 1.00 -0.73 H new ATOM 0 HA2 GLY A 127 -9.272 0.338 5.272 1.00 0.36 H new ATOM 0 HA3 GLY A 127 -9.668 -1.325 4.887 1.00 0.36 H new ATOM 1954 N MET A 128 -6.743 -0.546 6.292 1.00 -0.73 N ATOM 1955 CA MET A 128 -5.753 -1.016 7.268 1.00 0.36 C ATOM 1956 C MET A 128 -5.469 -2.524 7.079 1.00 0.57 C ATOM 1957 O MET A 128 -5.809 -3.104 6.048 1.00 -0.57 O ATOM 1958 CB MET A 128 -6.193 -0.622 8.698 1.00 0.00 C ATOM 1959 CG MET A 128 -6.112 0.889 8.941 1.00 0.23 C ATOM 1960 SD MET A 128 -4.421 1.429 9.334 1.00 -0.46 S ATOM 1961 CE MET A 128 -4.074 2.562 7.971 1.00 0.23 C ATOM 0 H MET A 128 -6.423 0.246 5.734 1.00 -0.73 H new ATOM 0 HA MET A 128 -4.796 -0.522 7.099 1.00 0.36 H new ATOM 0 HB2 MET A 128 -7.216 -0.960 8.866 1.00 0.00 H new ATOM 0 HB3 MET A 128 -5.564 -1.138 9.423 1.00 0.00 H new ATOM 0 HG2 MET A 128 -6.464 1.418 8.055 1.00 0.23 H new ATOM 0 HG3 MET A 128 -6.778 1.160 9.760 1.00 0.23 H new ATOM 0 HE1 MET A 128 -3.022 2.489 7.696 1.00 0.23 H new ATOM 0 HE2 MET A 128 -4.692 2.299 7.113 1.00 0.23 H new ATOM 0 HE3 MET A 128 -4.298 3.583 8.280 1.00 0.23 H new ATOM 1971 N GLY A 129 -4.775 -3.152 8.037 1.00 -0.73 N ATOM 1972 CA GLY A 129 -4.549 -4.600 8.031 1.00 0.36 C ATOM 1973 C GLY A 129 -3.136 -5.008 8.440 1.00 0.57 C ATOM 1974 O GLY A 129 -2.616 -5.981 7.905 1.00 -0.57 O ATOM 0 H GLY A 129 -4.357 -2.672 8.834 1.00 -0.73 H new ATOM 0 HA2 GLY A 129 -5.263 -5.072 8.706 1.00 0.36 H new ATOM 0 HA3 GLY A 129 -4.753 -4.985 7.032 1.00 0.36 H new ATOM 1978 N HIS A 130 -2.497 -4.260 9.349 1.00 -0.73 N ATOM 1979 CA HIS A 130 -1.141 -4.534 9.817 1.00 0.36 C ATOM 1980 C HIS A 130 -0.997 -5.883 10.533 1.00 0.57 C ATOM 1981 O HIS A 130 -1.986 -6.530 10.895 1.00 -0.57 O ATOM 1982 CB HIS A 130 -0.687 -3.391 10.749 1.00 0.17 C ATOM 1983 CG HIS A 130 0.394 -2.505 10.192 1.00 0.18 C ATOM 1984 ND1 HIS A 130 0.587 -1.184 10.519 1.00 -0.70 N ATOM 1985 CD2 HIS A 130 1.401 -2.858 9.335 1.00 0.20 C ATOM 1986 CE1 HIS A 130 1.686 -0.759 9.880 1.00 0.65 C ATOM 1987 NE2 HIS A 130 2.216 -1.747 9.142 1.00 -0.70 N ATOM 0 H HIS A 130 -2.917 -3.438 9.783 1.00 -0.73 H new ATOM 0 HA HIS A 130 -0.505 -4.592 8.934 1.00 0.36 H new ATOM 0 HB2 HIS A 130 -1.553 -2.774 10.990 1.00 0.17 H new ATOM 0 HB3 HIS A 130 -0.334 -3.824 11.685 1.00 0.17 H new ATOM 0 HD2 HIS A 130 1.539 -3.831 8.886 1.00 0.20 H new ATOM 0 HE1 HIS A 130 2.089 0.240 9.949 1.00 0.65 H new ATOM 0 HE2 HIS A 130 3.050 -1.694 8.557 1.00 -0.70 H new ATOM 1996 N SER A 131 0.257 -6.278 10.804 1.00 -0.73 N ATOM 1997 CA SER A 131 0.585 -7.515 11.494 1.00 0.36 C ATOM 1998 C SER A 131 1.911 -7.380 12.265 1.00 0.57 C ATOM 1999 O SER A 131 2.309 -6.278 12.632 1.00 -0.57 O ATOM 2000 CB SER A 131 0.582 -8.664 10.480 1.00 0.28 C ATOM 2001 OG SER A 131 1.775 -8.661 9.726 1.00 -0.68 O ATOM 0 H SER A 131 1.077 -5.732 10.542 1.00 -0.73 H new ATOM 0 HA SER A 131 -0.168 -7.739 12.249 1.00 0.36 H new ATOM 0 HB2 SER A 131 0.476 -9.616 11.000 1.00 0.28 H new ATOM 0 HB3 SER A 131 -0.276 -8.567 9.815 1.00 0.28 H new ATOM 0 HG SER A 131 2.249 -9.508 9.860 1.00 -0.68 H new ATOM 2007 N SER A 132 2.538 -8.522 12.574 1.00 -0.73 N ATOM 2008 CA SER A 132 3.837 -8.674 13.209 1.00 0.36 C ATOM 2009 C SER A 132 4.157 -10.170 13.050 1.00 0.57 C ATOM 2010 O SER A 132 3.853 -10.963 13.947 1.00 -0.57 O ATOM 2011 CB SER A 132 3.785 -8.206 14.679 1.00 0.28 C ATOM 2012 OG SER A 132 5.046 -8.238 15.322 1.00 -0.68 O ATOM 0 H SER A 132 2.112 -9.426 12.368 1.00 -0.73 H new ATOM 0 HA SER A 132 4.618 -8.060 12.761 1.00 0.36 H new ATOM 0 HB2 SER A 132 3.392 -7.190 14.716 1.00 0.28 H new ATOM 0 HB3 SER A 132 3.088 -8.838 15.230 1.00 0.28 H new ATOM 0 HG SER A 132 4.949 -7.930 16.247 1.00 -0.68 H new ATOM 2018 N ASP A 133 4.636 -10.581 11.864 1.00 -0.73 N ATOM 2019 CA ASP A 133 5.037 -11.964 11.570 1.00 0.36 C ATOM 2020 C ASP A 133 6.337 -11.926 10.745 1.00 0.57 C ATOM 2021 O ASP A 133 6.514 -11.003 9.948 1.00 -0.57 O ATOM 2022 CB ASP A 133 3.923 -12.718 10.801 1.00 0.06 C ATOM 2023 CG ASP A 133 3.596 -14.136 11.313 1.00 0.66 C ATOM 2024 OD1 ASP A 133 3.844 -14.452 12.465 1.00 -0.57 O ATOM 2025 OD2 ASP A 133 3.026 -14.977 10.455 1.00 -0.65 O ATOM 0 H ASP A 133 4.757 -9.951 11.071 1.00 -0.73 H new ATOM 0 HA ASP A 133 5.203 -12.502 12.504 1.00 0.36 H new ATOM 0 HB2 ASP A 133 3.013 -12.120 10.839 1.00 0.06 H new ATOM 0 HB3 ASP A 133 4.215 -12.789 9.753 1.00 0.06 H new ATOM 2031 N PRO A 134 7.246 -12.908 10.881 1.00 -0.66 N ATOM 2032 CA PRO A 134 8.581 -12.850 10.284 1.00 0.36 C ATOM 2033 C PRO A 134 8.559 -12.981 8.753 1.00 0.57 C ATOM 2034 O PRO A 134 9.500 -12.566 8.082 1.00 -0.57 O ATOM 2035 CB PRO A 134 9.366 -13.987 10.945 1.00 0.00 C ATOM 2036 CG PRO A 134 8.307 -14.982 11.424 1.00 0.00 C ATOM 2037 CD PRO A 134 7.033 -14.159 11.588 1.00 0.30 C ATOM 0 HA PRO A 134 9.044 -11.879 10.460 1.00 0.36 H new ATOM 0 HB2 PRO A 134 10.053 -14.453 10.239 1.00 0.00 H new ATOM 0 HB3 PRO A 134 9.966 -13.619 11.778 1.00 0.00 H new ATOM 0 HG2 PRO A 134 8.166 -15.786 10.702 1.00 0.00 H new ATOM 0 HG3 PRO A 134 8.600 -15.447 12.365 1.00 0.00 H new ATOM 0 HD2 PRO A 134 6.174 -14.692 11.180 1.00 0.30 H new ATOM 0 HD3 PRO A 134 6.824 -13.976 12.642 1.00 0.30 H new ATOM 2045 N ASN A 135 7.477 -13.527 8.192 1.00 -0.73 N ATOM 2046 CA ASN A 135 7.280 -13.704 6.755 1.00 0.36 C ATOM 2047 C ASN A 135 5.952 -13.039 6.356 1.00 0.57 C ATOM 2048 O ASN A 135 5.215 -13.534 5.501 1.00 -0.57 O ATOM 2049 CB ASN A 135 7.376 -15.196 6.378 1.00 0.06 C ATOM 2050 CG ASN A 135 8.743 -15.813 6.695 1.00 0.57 C ATOM 2051 OD1 ASN A 135 9.747 -15.542 6.042 1.00 -0.57 O ATOM 2052 ND2 ASN A 135 8.823 -16.647 7.728 1.00 -0.80 N ATOM 0 H ASN A 135 6.690 -13.868 8.745 1.00 -0.73 H new ATOM 0 HA ASN A 135 8.070 -13.213 6.187 1.00 0.36 H new ATOM 0 HB2 ASN A 135 6.603 -15.749 6.911 1.00 0.06 H new ATOM 0 HB3 ASN A 135 7.172 -15.309 5.313 1.00 0.06 H new ATOM 0 HD21 ASN A 135 9.720 -17.063 7.979 1.00 -0.80 H new ATOM 0 HD22 ASN A 135 7.988 -16.871 8.269 1.00 -0.80 H new ATOM 2059 N ALA A 136 5.627 -11.921 7.022 1.00 -0.73 N ATOM 2060 CA ALA A 136 4.514 -11.066 6.658 1.00 0.36 C ATOM 2061 C ALA A 136 5.010 -9.938 5.757 1.00 0.57 C ATOM 2062 O ALA A 136 6.065 -9.353 6.000 1.00 -0.57 O ATOM 2063 CB ALA A 136 3.857 -10.510 7.926 1.00 0.00 C ATOM 0 H ALA A 136 6.143 -11.591 7.837 1.00 -0.73 H new ATOM 0 HA ALA A 136 3.768 -11.641 6.109 1.00 0.36 H new ATOM 0 HB1 ALA A 136 3.021 -9.868 7.651 1.00 0.00 H new ATOM 0 HB2 ALA A 136 3.494 -11.335 8.540 1.00 0.00 H new ATOM 0 HB3 ALA A 136 4.588 -9.932 8.491 1.00 0.00 H new ATOM 2069 N VAL A 137 4.225 -9.597 4.735 1.00 -0.73 N ATOM 2070 CA VAL A 137 4.478 -8.414 3.912 1.00 0.36 C ATOM 2071 C VAL A 137 4.070 -7.150 4.677 1.00 0.57 C ATOM 2072 O VAL A 137 4.728 -6.116 4.529 1.00 -0.57 O ATOM 2073 CB VAL A 137 3.768 -8.563 2.554 1.00 0.00 C ATOM 2074 CG1 VAL A 137 2.279 -8.844 2.704 1.00 0.00 C ATOM 2075 CG2 VAL A 137 3.931 -7.339 1.639 1.00 0.00 C ATOM 0 H VAL A 137 3.401 -10.129 4.455 1.00 -0.73 H new ATOM 0 HA VAL A 137 5.543 -8.319 3.700 1.00 0.36 H new ATOM 0 HB VAL A 137 4.263 -9.416 2.090 1.00 0.00 H new ATOM 0 HG11 VAL A 137 1.826 -8.940 1.717 1.00 0.00 H new ATOM 0 HG12 VAL A 137 2.138 -9.771 3.260 1.00 0.00 H new ATOM 0 HG13 VAL A 137 1.806 -8.022 3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 137 3.405 -7.514 0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 137 3.514 -6.460 2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 137 4.989 -7.174 1.437 1.00 0.00 H new ATOM 2085 N MET A 138 3.051 -7.246 5.546 1.00 -0.73 N ATOM 2086 CA MET A 138 2.643 -6.212 6.492 1.00 0.36 C ATOM 2087 C MET A 138 3.672 -6.006 7.614 1.00 0.57 C ATOM 2088 O MET A 138 3.486 -5.101 8.426 1.00 -0.57 O ATOM 2089 CB MET A 138 1.284 -6.580 7.107 1.00 0.00 C ATOM 2090 CG MET A 138 0.109 -6.542 6.129 1.00 0.23 C ATOM 2091 SD MET A 138 -0.357 -4.873 5.615 1.00 -0.46 S ATOM 2092 CE MET A 138 0.345 -4.890 3.955 1.00 0.23 C ATOM 0 H MET A 138 2.470 -8.082 5.606 1.00 -0.73 H new ATOM 0 HA MET A 138 2.569 -5.277 5.937 1.00 0.36 H new ATOM 0 HB2 MET A 138 1.352 -7.581 7.533 1.00 0.00 H new ATOM 0 HB3 MET A 138 1.076 -5.897 7.930 1.00 0.00 H new ATOM 0 HG2 MET A 138 0.365 -7.126 5.245 1.00 0.23 H new ATOM 0 HG3 MET A 138 -0.753 -7.024 6.591 1.00 0.23 H new ATOM 0 HE1 MET A 138 -0.062 -4.058 3.380 1.00 0.23 H new ATOM 0 HE2 MET A 138 1.429 -4.793 4.017 1.00 0.23 H new ATOM 0 HE3 MET A 138 0.093 -5.829 3.463 1.00 0.23 H new ATOM 2102 N TYR A 139 4.743 -6.804 7.688 1.00 -0.73 N ATOM 2103 CA TYR A 139 5.808 -6.579 8.657 1.00 0.36 C ATOM 2104 C TYR A 139 6.456 -5.197 8.417 1.00 0.57 C ATOM 2105 O TYR A 139 6.527 -4.750 7.268 1.00 -0.57 O ATOM 2106 CB TYR A 139 6.822 -7.727 8.554 1.00 0.14 C ATOM 2107 CG TYR A 139 7.789 -7.836 9.715 1.00 -0.14 C ATOM 2108 CD1 TYR A 139 7.315 -8.219 10.984 1.00 -0.15 C ATOM 2109 CD2 TYR A 139 9.154 -7.556 9.534 1.00 -0.15 C ATOM 2110 CE1 TYR A 139 8.193 -8.302 12.078 1.00 -0.15 C ATOM 2111 CE2 TYR A 139 10.043 -7.644 10.618 1.00 -0.15 C ATOM 2112 CZ TYR A 139 9.567 -8.010 11.897 1.00 0.08 C ATOM 2113 OH TYR A 139 10.429 -8.069 12.949 1.00 -0.53 O ATOM 0 H TYR A 139 4.890 -7.613 7.084 1.00 -0.73 H new ATOM 0 HA TYR A 139 5.409 -6.570 9.671 1.00 0.36 H new ATOM 0 HB2 TYR A 139 6.276 -8.666 8.466 1.00 0.14 H new ATOM 0 HB3 TYR A 139 7.395 -7.604 7.635 1.00 0.14 H new ATOM 0 HD1 TYR A 139 6.269 -8.451 11.118 1.00 -0.15 H new ATOM 0 HD2 TYR A 139 9.521 -7.272 8.559 1.00 -0.15 H new ATOM 0 HE1 TYR A 139 7.822 -8.587 13.051 1.00 -0.15 H new ATOM 0 HE2 TYR A 139 11.092 -7.432 10.474 1.00 -0.15 H new ATOM 0 HH TYR A 139 11.332 -7.840 12.645 1.00 -0.53 H new ATOM 2123 N PRO A 140 6.892 -4.485 9.476 1.00 -0.66 N ATOM 2124 CA PRO A 140 7.605 -3.228 9.330 1.00 0.36 C ATOM 2125 C PRO A 140 9.084 -3.455 8.988 1.00 0.57 C ATOM 2126 O PRO A 140 9.619 -4.532 9.241 1.00 -0.57 O ATOM 2127 CB PRO A 140 7.442 -2.524 10.680 1.00 0.00 C ATOM 2128 CG PRO A 140 7.292 -3.656 11.691 1.00 0.00 C ATOM 2129 CD PRO A 140 6.688 -4.801 10.882 1.00 0.30 C ATOM 0 HA PRO A 140 7.209 -2.630 8.509 1.00 0.36 H new ATOM 0 HB2 PRO A 140 8.307 -1.901 10.909 1.00 0.00 H new ATOM 0 HB3 PRO A 140 6.569 -1.872 10.684 1.00 0.00 H new ATOM 0 HG2 PRO A 140 8.254 -3.936 12.121 1.00 0.00 H new ATOM 0 HG3 PRO A 140 6.644 -3.368 12.519 1.00 0.00 H new ATOM 0 HD2 PRO A 140 7.165 -5.747 11.137 1.00 0.30 H new ATOM 0 HD3 PRO A 140 5.626 -4.910 11.102 1.00 0.30 H new ATOM 2137 N THR A 141 9.768 -2.417 8.484 1.00 -0.73 N ATOM 2138 CA THR A 141 11.170 -2.501 8.065 1.00 0.36 C ATOM 2139 C THR A 141 11.345 -3.659 7.065 1.00 0.57 C ATOM 2140 O THR A 141 12.121 -4.592 7.276 1.00 -0.57 O ATOM 2141 CB THR A 141 12.092 -2.498 9.309 1.00 0.28 C ATOM 2142 OG1 THR A 141 11.863 -1.285 10.017 1.00 -0.68 O ATOM 2143 CG2 THR A 141 13.598 -2.580 9.007 1.00 0.00 C ATOM 0 H THR A 141 9.359 -1.491 8.356 1.00 -0.73 H new ATOM 0 HA THR A 141 11.485 -1.620 7.506 1.00 0.36 H new ATOM 0 HB THR A 141 11.841 -3.395 9.874 1.00 0.28 H new ATOM 0 HG1 THR A 141 12.434 -1.258 10.813 1.00 -0.68 H new ATOM 0 HG21 THR A 141 14.158 -2.571 9.942 1.00 0.00 H new ATOM 0 HG22 THR A 141 13.811 -3.502 8.465 1.00 0.00 H new ATOM 0 HG23 THR A 141 13.894 -1.725 8.399 1.00 0.00 H new ATOM 2151 N TYR A 142 10.604 -3.575 5.947 1.00 -0.73 N ATOM 2152 CA TYR A 142 10.581 -4.578 4.878 1.00 0.36 C ATOM 2153 C TYR A 142 9.848 -5.846 5.355 1.00 0.57 C ATOM 2154 O TYR A 142 9.353 -5.907 6.477 1.00 -0.57 O ATOM 2155 CB TYR A 142 12.022 -4.839 4.370 1.00 0.14 C ATOM 2156 CG TYR A 142 12.213 -4.781 2.871 1.00 -0.14 C ATOM 2157 CD1 TYR A 142 12.003 -5.923 2.076 1.00 -0.15 C ATOM 2158 CD2 TYR A 142 12.698 -3.599 2.281 1.00 -0.15 C ATOM 2159 CE1 TYR A 142 12.239 -5.872 0.693 1.00 -0.15 C ATOM 2160 CE2 TYR A 142 12.990 -3.565 0.908 1.00 -0.15 C ATOM 2161 CZ TYR A 142 12.746 -4.698 0.103 1.00 0.08 C ATOM 2162 OH TYR A 142 13.061 -4.679 -1.223 1.00 -0.53 O ATOM 0 H TYR A 142 9.988 -2.783 5.760 1.00 -0.73 H new ATOM 0 HA TYR A 142 10.016 -4.208 4.022 1.00 0.36 H new ATOM 0 HB2 TYR A 142 12.687 -4.108 4.830 1.00 0.14 H new ATOM 0 HB3 TYR A 142 12.338 -5.822 4.720 1.00 0.14 H new ATOM 0 HD1 TYR A 142 11.660 -6.840 2.531 1.00 -0.15 H new ATOM 0 HD2 TYR A 142 12.846 -2.716 2.885 1.00 -0.15 H new ATOM 0 HE1 TYR A 142 12.031 -6.736 0.079 1.00 -0.15 H new ATOM 0 HE2 TYR A 142 13.402 -2.670 0.467 1.00 -0.15 H new ATOM 0 HH TYR A 142 12.482 -5.305 -1.706 1.00 -0.53 H new ATOM 2172 N GLY A 143 9.778 -6.877 4.509 1.00 -0.73 N ATOM 2173 CA GLY A 143 9.368 -8.215 4.917 1.00 0.36 C ATOM 2174 C GLY A 143 10.502 -9.169 4.564 1.00 0.57 C ATOM 2175 O GLY A 143 11.090 -9.034 3.494 1.00 -0.57 O ATOM 0 H GLY A 143 10.006 -6.802 3.518 1.00 -0.73 H new ATOM 0 HA2 GLY A 143 9.162 -8.243 5.987 1.00 0.36 H new ATOM 0 HA3 GLY A 143 8.449 -8.506 4.408 1.00 0.36 H new ATOM 2179 N ASN A 144 10.831 -10.099 5.470 1.00 -0.73 N ATOM 2180 CA ASN A 144 11.913 -11.066 5.259 1.00 0.36 C ATOM 2181 C ASN A 144 11.577 -12.002 4.094 1.00 0.57 C ATOM 2182 O ASN A 144 12.448 -12.340 3.291 1.00 -0.57 O ATOM 2183 CB ASN A 144 12.137 -11.894 6.540 1.00 0.06 C ATOM 2184 CG ASN A 144 13.612 -12.085 6.857 1.00 0.57 C ATOM 2185 OD1 ASN A 144 14.237 -13.078 6.496 1.00 -0.57 O ATOM 2186 ND2 ASN A 144 14.191 -11.126 7.566 1.00 -0.80 N ATOM 0 H ASN A 144 10.356 -10.201 6.367 1.00 -0.73 H new ATOM 0 HA ASN A 144 12.824 -10.518 5.019 1.00 0.36 H new ATOM 0 HB2 ASN A 144 11.649 -11.399 7.379 1.00 0.06 H new ATOM 0 HB3 ASN A 144 11.663 -12.869 6.426 1.00 0.06 H new ATOM 0 HD21 ASN A 144 15.175 -11.205 7.822 1.00 -0.80 H new ATOM 0 HD22 ASN A 144 13.652 -10.310 7.855 1.00 -0.80 H new ATOM 2193 N GLY A 145 10.299 -12.401 4.029 1.00 -0.73 N ATOM 2194 CA GLY A 145 9.719 -13.187 2.953 1.00 0.36 C ATOM 2195 C GLY A 145 10.039 -12.567 1.595 1.00 0.57 C ATOM 2196 O GLY A 145 9.942 -11.352 1.433 1.00 -0.57 O ATOM 0 H GLY A 145 9.622 -12.172 4.757 1.00 -0.73 H new ATOM 0 HA2 GLY A 145 10.104 -14.206 2.992 1.00 0.36 H new ATOM 0 HA3 GLY A 145 8.639 -13.249 3.084 1.00 0.36 H new ATOM 2200 N ASP A 146 10.424 -13.432 0.652 1.00 -0.73 N ATOM 2201 CA ASP A 146 10.883 -13.108 -0.698 1.00 0.36 C ATOM 2202 C ASP A 146 10.043 -11.985 -1.334 1.00 0.57 C ATOM 2203 O ASP A 146 8.867 -12.206 -1.630 1.00 -0.57 O ATOM 2204 CB ASP A 146 10.841 -14.405 -1.514 1.00 0.06 C ATOM 2205 CG ASP A 146 11.310 -14.301 -2.968 1.00 0.66 C ATOM 2206 OD1 ASP A 146 11.167 -13.256 -3.581 1.00 -0.57 O ATOM 2207 OD2 ASP A 146 11.763 -15.427 -3.512 1.00 -0.65 O ATOM 0 H ASP A 146 10.423 -14.438 0.823 1.00 -0.73 H new ATOM 0 HA ASP A 146 11.901 -12.719 -0.673 1.00 0.36 H new ATOM 0 HB2 ASP A 146 11.456 -15.149 -1.008 1.00 0.06 H new ATOM 0 HB3 ASP A 146 9.818 -14.780 -1.509 1.00 0.06 H new ATOM 2213 N PRO A 147 10.616 -10.785 -1.557 1.00 -0.66 N ATOM 2214 CA PRO A 147 9.859 -9.649 -2.059 1.00 0.36 C ATOM 2215 C PRO A 147 9.537 -9.781 -3.548 1.00 0.57 C ATOM 2216 O PRO A 147 8.638 -9.091 -4.027 1.00 -0.57 O ATOM 2217 CB PRO A 147 10.729 -8.422 -1.779 1.00 0.00 C ATOM 2218 CG PRO A 147 12.158 -8.972 -1.778 1.00 0.00 C ATOM 2219 CD PRO A 147 12.004 -10.418 -1.314 1.00 0.30 C ATOM 0 HA PRO A 147 8.889 -9.577 -1.567 1.00 0.36 H new ATOM 0 HB2 PRO A 147 10.597 -7.656 -2.543 1.00 0.00 H new ATOM 0 HB3 PRO A 147 10.477 -7.964 -0.822 1.00 0.00 H new ATOM 0 HG2 PRO A 147 12.606 -8.918 -2.770 1.00 0.00 H new ATOM 0 HG3 PRO A 147 12.802 -8.405 -1.106 1.00 0.00 H new ATOM 0 HD2 PRO A 147 12.680 -11.075 -1.861 1.00 0.30 H new ATOM 0 HD3 PRO A 147 12.251 -10.515 -0.257 1.00 0.30 H new ATOM 2227 N GLN A 148 10.259 -10.626 -4.295 1.00 -0.73 N ATOM 2228 CA GLN A 148 9.998 -10.861 -5.708 1.00 0.36 C ATOM 2229 C GLN A 148 8.766 -11.775 -5.818 1.00 0.57 C ATOM 2230 O GLN A 148 7.835 -11.489 -6.576 1.00 -0.57 O ATOM 2231 CB GLN A 148 11.246 -11.504 -6.358 1.00 0.00 C ATOM 2232 CG GLN A 148 11.984 -10.616 -7.378 1.00 0.06 C ATOM 2233 CD GLN A 148 12.850 -9.515 -6.752 1.00 0.57 C ATOM 2234 OE1 GLN A 148 12.360 -8.522 -6.223 1.00 -0.57 O ATOM 2235 NE2 GLN A 148 14.172 -9.648 -6.810 1.00 -0.80 N ATOM 0 H GLN A 148 11.043 -11.165 -3.928 1.00 -0.73 H new ATOM 0 HA GLN A 148 9.795 -9.928 -6.234 1.00 0.36 H new ATOM 0 HB2 GLN A 148 11.945 -11.782 -5.569 1.00 0.00 H new ATOM 0 HB3 GLN A 148 10.943 -12.426 -6.855 1.00 0.00 H new ATOM 0 HG2 GLN A 148 12.617 -11.248 -8.001 1.00 0.06 H new ATOM 0 HG3 GLN A 148 11.249 -10.153 -8.036 1.00 0.06 H new ATOM 0 HE21 GLN A 148 14.583 -10.472 -7.249 1.00 -0.80 H new ATOM 0 HE22 GLN A 148 14.775 -8.926 -6.416 1.00 -0.80 H new ATOM 2244 N ASN A 149 8.727 -12.856 -5.028 1.00 -0.73 N ATOM 2245 CA ASN A 149 7.634 -13.827 -5.024 1.00 0.36 C ATOM 2246 C ASN A 149 6.576 -13.459 -3.982 1.00 0.57 C ATOM 2247 O ASN A 149 6.433 -14.145 -2.973 1.00 -0.57 O ATOM 2248 CB ASN A 149 8.144 -15.257 -4.806 1.00 0.06 C ATOM 2249 CG ASN A 149 8.936 -15.780 -5.988 1.00 0.57 C ATOM 2250 OD1 ASN A 149 8.339 -16.068 -7.034 1.00 -0.57 O ATOM 2251 ND2 ASN A 149 10.246 -15.937 -5.824 1.00 -0.80 N ATOM 0 H ASN A 149 9.468 -13.081 -4.364 1.00 -0.73 H new ATOM 0 HA ASN A 149 7.168 -13.794 -6.009 1.00 0.36 H new ATOM 0 HB2 ASN A 149 8.770 -15.284 -3.914 1.00 0.06 H new ATOM 0 HB3 ASN A 149 7.296 -15.917 -4.621 1.00 0.06 H new ATOM 0 HD21 ASN A 149 10.814 -16.313 -6.584 1.00 -0.80 H new ATOM 0 HD22 ASN A 149 10.683 -15.682 -4.939 1.00 -0.80 H new ATOM 2258 N PHE A 150 5.818 -12.398 -4.274 1.00 -0.73 N ATOM 2259 CA PHE A 150 4.779 -11.803 -3.428 1.00 0.36 C ATOM 2260 C PHE A 150 3.992 -12.775 -2.550 1.00 0.57 C ATOM 2261 O PHE A 150 4.168 -12.775 -1.337 1.00 -0.57 O ATOM 2262 CB PHE A 150 3.803 -11.047 -4.335 1.00 0.14 C ATOM 2263 CG PHE A 150 4.160 -9.603 -4.448 1.00 -0.14 C ATOM 2264 CD1 PHE A 150 5.375 -9.217 -5.041 1.00 -0.15 C ATOM 2265 CD2 PHE A 150 3.298 -8.658 -3.874 1.00 -0.15 C ATOM 2266 CE1 PHE A 150 5.711 -7.863 -5.093 1.00 -0.15 C ATOM 2267 CE2 PHE A 150 3.649 -7.314 -3.924 1.00 -0.15 C ATOM 2268 CZ PHE A 150 4.827 -6.923 -4.561 1.00 -0.15 C ATOM 0 H PHE A 150 5.919 -11.902 -5.160 1.00 -0.73 H new ATOM 0 HA PHE A 150 5.303 -11.155 -2.725 1.00 0.36 H new ATOM 0 HB2 PHE A 150 3.802 -11.500 -5.326 1.00 0.14 H new ATOM 0 HB3 PHE A 150 2.791 -11.142 -3.940 1.00 0.14 H new ATOM 0 HD1 PHE A 150 6.042 -9.961 -5.452 1.00 -0.15 H new ATOM 0 HD2 PHE A 150 2.378 -8.969 -3.402 1.00 -0.15 H new ATOM 0 HE1 PHE A 150 6.643 -7.547 -5.539 1.00 -0.15 H new ATOM 0 HE2 PHE A 150 3.009 -6.572 -3.469 1.00 -0.15 H new ATOM 0 HZ PHE A 150 5.060 -5.872 -4.644 1.00 -0.15 H new ATOM 2278 N LYS A 151 3.121 -13.561 -3.200 1.00 -0.73 N ATOM 2279 CA LYS A 151 2.354 -14.670 -2.649 1.00 0.36 C ATOM 2280 C LYS A 151 1.842 -14.384 -1.229 1.00 0.57 C ATOM 2281 O LYS A 151 2.355 -14.946 -0.265 1.00 -0.57 O ATOM 2282 CB LYS A 151 3.207 -15.948 -2.762 1.00 0.00 C ATOM 2283 CG LYS A 151 3.726 -16.229 -4.189 1.00 0.00 C ATOM 2284 CD LYS A 151 2.627 -16.586 -5.207 1.00 0.00 C ATOM 2285 CE LYS A 151 2.510 -18.101 -5.413 1.00 0.50 C ATOM 2286 NZ LYS A 151 2.075 -18.806 -4.180 1.00 -0.85 N ATOM 0 H LYS A 151 2.926 -13.423 -4.192 1.00 -0.73 H new ATOM 0 HA LYS A 151 1.441 -14.814 -3.227 1.00 0.36 H new ATOM 0 HB2 LYS A 151 4.058 -15.866 -2.086 1.00 0.00 H new ATOM 0 HB3 LYS A 151 2.615 -16.799 -2.427 1.00 0.00 H new ATOM 0 HG2 LYS A 151 4.264 -15.351 -4.546 1.00 0.00 H new ATOM 0 HG3 LYS A 151 4.445 -17.047 -4.147 1.00 0.00 H new ATOM 0 HD2 LYS A 151 1.671 -16.191 -4.863 1.00 0.00 H new ATOM 0 HD3 LYS A 151 2.845 -16.106 -6.161 1.00 0.00 H new ATOM 0 HE2 LYS A 151 1.799 -18.303 -6.214 1.00 0.50 H new ATOM 0 HE3 LYS A 151 3.473 -18.497 -5.735 1.00 0.50 H new ATOM 0 HZ1 LYS A 151 1.945 -19.817 -4.386 1.00 -0.85 H new ATOM 0 HZ2 LYS A 151 2.799 -18.693 -3.442 1.00 -0.85 H new ATOM 0 HZ3 LYS A 151 1.176 -18.402 -3.848 1.00 -0.85 H new ATOM 2300 N LEU A 152 0.834 -13.499 -1.152 1.00 -0.73 N ATOM 2301 CA LEU A 152 0.162 -13.022 0.061 1.00 0.36 C ATOM 2302 C LEU A 152 0.059 -14.161 1.091 1.00 0.57 C ATOM 2303 O LEU A 152 -0.582 -15.180 0.817 1.00 -0.57 O ATOM 2304 CB LEU A 152 -1.236 -12.441 -0.278 1.00 0.00 C ATOM 2305 CG LEU A 152 -1.296 -11.254 -1.275 1.00 0.00 C ATOM 2306 CD1 LEU A 152 -1.467 -11.755 -2.713 1.00 0.00 C ATOM 2307 CD2 LEU A 152 -2.481 -10.298 -1.037 1.00 0.00 C ATOM 0 H LEU A 152 0.444 -13.072 -1.992 1.00 -0.73 H new ATOM 0 HA LEU A 152 0.755 -12.219 0.499 1.00 0.36 H new ATOM 0 HB2 LEU A 152 -1.848 -13.249 -0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -1.702 -12.121 0.654 1.00 0.00 H new ATOM 0 HG LEU A 152 -0.355 -10.727 -1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -1.506 -10.904 -3.393 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -0.624 -12.393 -2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -2.393 -12.325 -2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -2.454 -9.495 -1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -3.417 -10.848 -1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -2.411 -9.874 -0.035 1.00 0.00 H new ATOM 2319 N SER A 153 0.743 -14.029 2.234 1.00 -0.73 N ATOM 2320 CA SER A 153 1.030 -15.149 3.125 1.00 0.36 C ATOM 2321 C SER A 153 -0.162 -15.429 4.044 1.00 0.57 C ATOM 2322 O SER A 153 -0.982 -16.295 3.728 1.00 -0.57 O ATOM 2323 CB SER A 153 2.333 -14.869 3.894 1.00 0.28 C ATOM 2324 OG SER A 153 2.383 -13.526 4.321 1.00 -0.68 O ATOM 0 H SER A 153 1.112 -13.137 2.564 1.00 -0.73 H new ATOM 0 HA SER A 153 1.182 -16.059 2.544 1.00 0.36 H new ATOM 0 HB2 SER A 153 2.402 -15.532 4.756 1.00 0.28 H new ATOM 0 HB3 SER A 153 3.190 -15.085 3.257 1.00 0.28 H new ATOM 0 HG SER A 153 3.290 -13.176 4.196 1.00 -0.68 H new ATOM 2330 N GLN A 154 -0.278 -14.689 5.155 1.00 -0.73 N ATOM 2331 CA GLN A 154 -1.412 -14.798 6.069 1.00 0.36 C ATOM 2332 C GLN A 154 -1.854 -13.440 6.579 1.00 0.57 C ATOM 2333 O GLN A 154 -3.047 -13.201 6.575 1.00 -0.57 O ATOM 2334 CB GLN A 154 -1.138 -15.695 7.289 1.00 0.00 C ATOM 2335 CG GLN A 154 -0.872 -17.171 6.950 1.00 0.06 C ATOM 2336 CD GLN A 154 -1.257 -18.140 8.075 1.00 0.57 C ATOM 2337 OE1 GLN A 154 -1.668 -17.754 9.165 1.00 -0.57 O ATOM 2338 NE2 GLN A 154 -1.178 -19.442 7.814 1.00 -0.80 N ATOM 0 H GLN A 154 0.416 -13.998 5.441 1.00 -0.73 H new ATOM 0 HA GLN A 154 -2.199 -15.258 5.471 1.00 0.36 H new ATOM 0 HB2 GLN A 154 -0.278 -15.299 7.829 1.00 0.00 H new ATOM 0 HB3 GLN A 154 -1.992 -15.639 7.964 1.00 0.00 H new ATOM 0 HG2 GLN A 154 -1.428 -17.434 6.050 1.00 0.06 H new ATOM 0 HG3 GLN A 154 0.186 -17.297 6.720 1.00 0.06 H new ATOM 0 HE21 GLN A 154 -0.836 -19.761 6.907 1.00 -0.80 H new ATOM 0 HE22 GLN A 154 -1.459 -20.122 8.521 1.00 -0.80 H new ATOM 2347 N ASP A 155 -0.947 -12.551 6.984 1.00 -0.73 N ATOM 2348 CA ASP A 155 -1.245 -11.185 7.416 1.00 0.36 C ATOM 2349 C ASP A 155 -2.084 -10.441 6.387 1.00 0.57 C ATOM 2350 O ASP A 155 -3.071 -9.806 6.749 1.00 -0.57 O ATOM 2351 CB ASP A 155 0.062 -10.412 7.642 1.00 0.06 C ATOM 2352 CG ASP A 155 1.037 -10.508 6.462 1.00 0.66 C ATOM 2353 OD1 ASP A 155 1.438 -9.490 5.923 1.00 -0.57 O ATOM 2354 OD2 ASP A 155 1.449 -11.733 6.147 1.00 -0.65 O ATOM 0 H ASP A 155 0.049 -12.769 7.022 1.00 -0.73 H new ATOM 0 HA ASP A 155 -1.812 -11.251 8.344 1.00 0.36 H new ATOM 0 HB2 ASP A 155 -0.172 -9.363 7.826 1.00 0.06 H new ATOM 0 HB3 ASP A 155 0.550 -10.792 8.539 1.00 0.06 H new ATOM 2360 N ASP A 156 -1.720 -10.584 5.112 1.00 -0.73 N ATOM 2361 CA ASP A 156 -2.438 -9.987 3.998 1.00 0.36 C ATOM 2362 C ASP A 156 -3.859 -10.537 3.932 1.00 0.57 C ATOM 2363 O ASP A 156 -4.812 -9.763 3.938 1.00 -0.57 O ATOM 2364 CB ASP A 156 -1.714 -10.337 2.696 1.00 0.06 C ATOM 2365 CG ASP A 156 -0.873 -9.227 2.071 1.00 0.66 C ATOM 2366 OD1 ASP A 156 -0.861 -8.113 2.569 1.00 -0.57 O ATOM 2367 OD2 ASP A 156 -0.202 -9.580 0.978 1.00 -0.65 O ATOM 0 H ASP A 156 -0.905 -11.127 4.826 1.00 -0.73 H new ATOM 0 HA ASP A 156 -2.476 -8.906 4.136 1.00 0.36 H new ATOM 0 HB2 ASP A 156 -1.066 -11.193 2.884 1.00 0.06 H new ATOM 0 HB3 ASP A 156 -2.458 -10.655 1.966 1.00 0.06 H new ATOM 2373 N ILE A 157 -4.003 -11.872 3.915 1.00 -0.73 N ATOM 2374 CA ILE A 157 -5.303 -12.540 3.888 1.00 0.36 C ATOM 2375 C ILE A 157 -6.107 -12.145 5.131 1.00 0.57 C ATOM 2376 O ILE A 157 -7.308 -11.922 5.027 1.00 -0.57 O ATOM 2377 CB ILE A 157 -5.139 -14.081 3.724 1.00 0.00 C ATOM 2378 CG1 ILE A 157 -5.259 -14.495 2.239 1.00 0.00 C ATOM 2379 CG2 ILE A 157 -6.164 -14.907 4.527 1.00 0.00 C ATOM 2380 CD1 ILE A 157 -3.981 -14.229 1.439 1.00 0.00 C ATOM 0 H ILE A 157 -3.213 -12.517 3.920 1.00 -0.73 H new ATOM 0 HA ILE A 157 -5.868 -12.210 3.016 1.00 0.36 H new ATOM 0 HB ILE A 157 -4.145 -14.298 4.116 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -5.503 -15.556 2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -6.087 -13.953 1.782 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -5.985 -15.969 4.361 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -6.060 -14.683 5.589 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -7.172 -14.653 4.200 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -4.128 -14.540 0.405 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -3.749 -13.164 1.468 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -3.156 -14.793 1.874 1.00 0.00 H new ATOM 2392 N LYS A 158 -5.453 -12.046 6.296 1.00 -0.73 N ATOM 2393 CA LYS A 158 -6.059 -11.680 7.569 1.00 0.36 C ATOM 2394 C LYS A 158 -6.588 -10.252 7.477 1.00 0.57 C ATOM 2395 O LYS A 158 -7.689 -10.004 7.964 1.00 -0.57 O ATOM 2396 CB LYS A 158 -5.030 -11.811 8.710 1.00 0.00 C ATOM 2397 CG LYS A 158 -5.654 -12.064 10.095 1.00 0.00 C ATOM 2398 CD LYS A 158 -5.527 -13.526 10.589 1.00 0.00 C ATOM 2399 CE LYS A 158 -4.940 -13.607 12.012 1.00 0.50 C ATOM 2400 NZ LYS A 158 -3.586 -14.212 12.061 1.00 -0.85 N ATOM 0 H LYS A 158 -4.452 -12.226 6.373 1.00 -0.73 H new ATOM 0 HA LYS A 158 -6.887 -12.354 7.787 1.00 0.36 H new ATOM 0 HB2 LYS A 158 -4.347 -12.628 8.477 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -4.434 -10.900 8.753 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -5.179 -11.404 10.821 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -6.709 -11.794 10.061 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -6.508 -14.000 10.574 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -4.892 -14.086 9.903 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -4.896 -12.604 12.436 1.00 0.50 H new ATOM 0 HE3 LYS A 158 -5.613 -14.190 12.641 1.00 0.50 H new ATOM 0 HZ1 LYS A 158 -3.252 -14.236 13.046 1.00 -0.85 H new ATOM 0 HZ2 LYS A 158 -3.625 -15.181 11.685 1.00 -0.85 H new ATOM 0 HZ3 LYS A 158 -2.931 -13.644 11.487 1.00 -0.85 H new ATOM 2414 N GLY A 159 -5.830 -9.353 6.835 1.00 -0.73 N ATOM 2415 CA GLY A 159 -6.244 -8.004 6.510 1.00 0.36 C ATOM 2416 C GLY A 159 -7.441 -8.042 5.571 1.00 0.57 C ATOM 2417 O GLY A 159 -8.491 -7.542 5.946 1.00 -0.57 O ATOM 0 H GLY A 159 -4.882 -9.563 6.522 1.00 -0.73 H new ATOM 0 HA2 GLY A 159 -6.502 -7.464 7.421 1.00 0.36 H new ATOM 0 HA3 GLY A 159 -5.421 -7.464 6.042 1.00 0.36 H new ATOM 2421 N ILE A 160 -7.324 -8.710 4.418 1.00 -0.73 N ATOM 2422 CA ILE A 160 -8.376 -8.879 3.409 1.00 0.36 C ATOM 2423 C ILE A 160 -9.680 -9.379 4.048 1.00 0.57 C ATOM 2424 O ILE A 160 -10.718 -8.723 3.940 1.00 -0.57 O ATOM 2425 CB ILE A 160 -7.832 -9.806 2.285 1.00 0.00 C ATOM 2426 CG1 ILE A 160 -7.066 -9.021 1.199 1.00 0.00 C ATOM 2427 CG2 ILE A 160 -8.871 -10.734 1.638 1.00 0.00 C ATOM 2428 CD1 ILE A 160 -7.952 -8.175 0.275 1.00 0.00 C ATOM 0 H ILE A 160 -6.453 -9.169 4.150 1.00 -0.73 H new ATOM 0 HA ILE A 160 -8.634 -7.922 2.957 1.00 0.36 H new ATOM 0 HB ILE A 160 -7.138 -10.461 2.811 1.00 0.00 H new ATOM 0 HG12 ILE A 160 -6.342 -8.367 1.685 1.00 0.00 H new ATOM 0 HG13 ILE A 160 -6.500 -9.727 0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 160 -8.390 -11.338 0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 160 -9.298 -11.388 2.398 1.00 0.00 H new ATOM 0 HG23 ILE A 160 -9.663 -10.136 1.188 1.00 0.00 H new ATOM 0 HD11 ILE A 160 -7.328 -7.660 -0.455 1.00 0.00 H new ATOM 0 HD12 ILE A 160 -8.659 -8.822 -0.244 1.00 0.00 H new ATOM 0 HD13 ILE A 160 -8.499 -7.441 0.867 1.00 0.00 H new ATOM 2440 N GLN A 161 -9.648 -10.511 4.754 1.00 -0.73 N ATOM 2441 CA GLN A 161 -10.830 -11.112 5.362 1.00 0.36 C ATOM 2442 C GLN A 161 -11.320 -10.315 6.579 1.00 0.57 C ATOM 2443 O GLN A 161 -12.416 -10.567 7.061 1.00 -0.57 O ATOM 2444 CB GLN A 161 -10.558 -12.589 5.695 1.00 0.00 C ATOM 2445 CG GLN A 161 -9.622 -12.802 6.896 1.00 0.06 C ATOM 2446 CD GLN A 161 -10.360 -12.970 8.218 1.00 0.57 C ATOM 2447 OE1 GLN A 161 -11.096 -13.931 8.409 1.00 -0.57 O ATOM 2448 NE2 GLN A 161 -10.149 -12.060 9.162 1.00 -0.80 N ATOM 0 H GLN A 161 -8.791 -11.039 4.920 1.00 -0.73 H new ATOM 0 HA GLN A 161 -11.645 -11.077 4.639 1.00 0.36 H new ATOM 0 HB2 GLN A 161 -11.507 -13.085 5.896 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -10.124 -13.073 4.820 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -9.008 -13.685 6.717 1.00 0.06 H new ATOM 0 HG3 GLN A 161 -8.943 -11.953 6.973 1.00 0.06 H new ATOM 0 HE21 GLN A 161 -9.532 -11.269 8.979 1.00 -0.80 H new ATOM 0 HE22 GLN A 161 -10.604 -12.152 10.070 1.00 -0.80 H new ATOM 2457 N LYS A 162 -10.533 -9.356 7.082 1.00 -0.73 N ATOM 2458 CA LYS A 162 -10.975 -8.365 8.061 1.00 0.36 C ATOM 2459 C LYS A 162 -11.487 -7.091 7.363 1.00 0.57 C ATOM 2460 O LYS A 162 -12.177 -6.285 7.989 1.00 -0.57 O ATOM 2461 CB LYS A 162 -9.798 -8.109 9.015 1.00 0.00 C ATOM 2462 CG LYS A 162 -10.068 -7.056 10.095 1.00 0.00 C ATOM 2463 CD LYS A 162 -9.434 -7.391 11.459 1.00 0.00 C ATOM 2464 CE LYS A 162 -10.533 -7.569 12.516 1.00 0.50 C ATOM 2465 NZ LYS A 162 -10.996 -8.966 12.613 1.00 -0.85 N ATOM 0 H LYS A 162 -9.555 -9.248 6.813 1.00 -0.73 H new ATOM 0 HA LYS A 162 -11.824 -8.729 8.640 1.00 0.36 H new ATOM 0 HB2 LYS A 162 -9.530 -9.048 9.500 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -8.934 -7.796 8.429 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -9.688 -6.093 9.754 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -11.145 -6.946 10.222 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -8.842 -8.303 11.380 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -8.754 -6.594 11.759 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -10.156 -7.245 13.486 1.00 0.50 H new ATOM 0 HE3 LYS A 162 -11.378 -6.925 12.271 1.00 0.50 H new ATOM 0 HZ1 LYS A 162 -11.737 -9.036 13.339 1.00 -0.85 H new ATOM 0 HZ2 LYS A 162 -11.380 -9.269 11.695 1.00 -0.85 H new ATOM 0 HZ3 LYS A 162 -10.197 -9.579 12.873 1.00 -0.85 H new ATOM 2479 N LEU A 163 -11.175 -6.926 6.075 1.00 -0.73 N ATOM 2480 CA LEU A 163 -11.538 -5.791 5.251 1.00 0.36 C ATOM 2481 C LEU A 163 -12.956 -5.974 4.720 1.00 0.57 C ATOM 2482 O LEU A 163 -13.795 -5.100 4.919 1.00 -0.57 O ATOM 2483 CB LEU A 163 -10.518 -5.648 4.097 1.00 0.00 C ATOM 2484 CG LEU A 163 -10.041 -4.209 3.856 1.00 0.00 C ATOM 2485 CD1 LEU A 163 -8.534 -4.180 3.601 1.00 0.00 C ATOM 2486 CD2 LEU A 163 -10.804 -3.623 2.668 1.00 0.00 C ATOM 0 H LEU A 163 -10.634 -7.622 5.561 1.00 -0.73 H new ATOM 0 HA LEU A 163 -11.516 -4.876 5.844 1.00 0.36 H new ATOM 0 HB2 LEU A 163 -9.653 -6.275 4.312 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -10.968 -6.029 3.180 1.00 0.00 H new ATOM 0 HG LEU A 163 -10.239 -3.606 4.742 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -8.213 -3.152 3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -8.011 -4.586 4.467 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -8.302 -4.781 2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -10.471 -2.601 2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -10.614 -4.226 1.780 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -11.872 -3.624 2.885 1.00 0.00 H new ATOM 2498 N TYR A 164 -13.227 -7.123 4.087 1.00 -0.73 N ATOM 2499 CA TYR A 164 -14.553 -7.455 3.551 1.00 0.36 C ATOM 2500 C TYR A 164 -15.171 -8.626 4.308 1.00 0.57 C ATOM 2501 O TYR A 164 -16.385 -8.652 4.503 1.00 -0.57 O ATOM 2502 CB TYR A 164 -14.477 -7.798 2.046 1.00 0.14 C ATOM 2503 CG TYR A 164 -14.184 -9.267 1.738 1.00 -0.14 C ATOM 2504 CD1 TYR A 164 -12.877 -9.765 1.891 1.00 -0.15 C ATOM 2505 CD2 TYR A 164 -15.220 -10.161 1.398 1.00 -0.15 C ATOM 2506 CE1 TYR A 164 -12.597 -11.127 1.697 1.00 -0.15 C ATOM 2507 CE2 TYR A 164 -14.951 -11.534 1.213 1.00 -0.15 C ATOM 2508 CZ TYR A 164 -13.632 -12.026 1.364 1.00 0.08 C ATOM 2509 OH TYR A 164 -13.322 -13.350 1.220 1.00 -0.53 O ATOM 0 H TYR A 164 -12.530 -7.851 3.932 1.00 -0.73 H new ATOM 0 HA TYR A 164 -15.183 -6.575 3.681 1.00 0.36 H new ATOM 0 HB2 TYR A 164 -15.422 -7.524 1.577 1.00 0.14 H new ATOM 0 HB3 TYR A 164 -13.703 -7.183 1.586 1.00 0.14 H new ATOM 0 HD1 TYR A 164 -12.078 -9.090 2.161 1.00 -0.15 H new ATOM 0 HD2 TYR A 164 -16.228 -9.792 1.278 1.00 -0.15 H new ATOM 0 HE1 TYR A 164 -11.585 -11.488 1.803 1.00 -0.15 H new ATOM 0 HE2 TYR A 164 -15.753 -12.211 0.956 1.00 -0.15 H new ATOM 0 HH TYR A 164 -14.132 -13.853 0.991 1.00 -0.53 H new