USER MOD reduce.3.24.130724 H: found=0, std=0, add=1171, rem=0, adj=37 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 161 GLN : amide:sc= -0.0141 K(o=-0.014,f=-1.6) USER MOD Set 1.2: A 164 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 120 HIS : no HE2:sc= -0.181 K(o=0.14,f=-4.6!) USER MOD Set 2.2: A 124 HIS : no HD1:sc= 0.322 K(o=0.14,f=-3.2) USER MOD Set 3.1: A 80 ASN :FLIP amide:sc= -0.74 F(o=-1.4,f=-0.72) USER MOD Set 3.2: A 81 THR OG1 : rot 180:sc= 0.0228 USER MOD Set 4.1: A 61 MET CE :methyl -178:sc= 0 (180deg=-0.0017) USER MOD Set 4.2: A 69 HIS :FLIP no HE2:sc= -1.18 F(o=-3.6!,f=-1.3) USER MOD Set 4.3: A 84 HIS : no HE2:sc= -0.581 K(o=-1.3,f=-1.9) USER MOD Set 4.4: A 97 HIS : no HD1:sc= 0.476 K(o=-1.3,f=-3.6!) USER MOD Set 5.1: A 41 MET CE :methyl 173:sc= 0 (180deg=-0.0488) USER MOD Set 5.2: A 119 THR OG1 : rot 86:sc= 0.281 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.13 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 170:sc= -0.425 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 140:sc= 0.311 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 135:sc= 0.195 USER MOD Single : A 28 HIS : no HD1:sc= -0.168 X(o=-0.17,f=-0.57) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.0677) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= 0.667 K(o=0.67,f=-2.2!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 36:sc= 0.0267 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 105 THR OG1 : rot 110: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= 0.163 K(o=0.16,f=-11!) USER MOD Single : A 116 TYR OH : rot 180:sc= -0.132 USER MOD Single : A 125 SER OG : rot -60:sc= 0.0351 USER MOD Single : A 128 MET CE :methyl -143:sc= -0.47 (180deg=-3.61!) USER MOD Single : A 130 HIS : no HD1:sc= -0.406 X(o=-0.41,f=-0.074) USER MOD Single : A 131 SER OG : rot 155:sc= 0.00652 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 138 MET CE :methyl 164:sc= -0.0198 (180deg=-0.35) USER MOD Single : A 139 TYR OH : rot 30:sc= 0.431 USER MOD Single : A 141 THR OG1 : rot 46:sc= 0.0117 USER MOD Single : A 142 TYR OH : rot 80:sc= -0.0321 USER MOD Single : A 144 ASN : amide:sc= 0.652 K(o=0.65,f=-0.37) USER MOD Single : A 148 GLN : amide:sc= -0.315 K(o=-0.32,f=-1) USER MOD Single : A 149 ASN : amide:sc= 0.895 K(o=0.9,f=0) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 GLN : amide:sc= -0.195 K(o=-0.2,f=-0.86) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 109 N PRO A 8 -13.484 -0.325 6.971 1.00 -0.66 N ATOM 110 CA PRO A 8 -12.636 -0.296 5.788 1.00 0.36 C ATOM 111 C PRO A 8 -13.421 -0.730 4.547 1.00 0.57 C ATOM 112 O PRO A 8 -14.575 -1.138 4.663 1.00 -0.57 O ATOM 113 CB PRO A 8 -11.484 -1.243 6.110 1.00 0.00 C ATOM 114 CG PRO A 8 -12.055 -2.255 7.079 1.00 0.00 C ATOM 115 CD PRO A 8 -13.216 -1.526 7.748 1.00 0.30 C ATOM 0 HA PRO A 8 -12.268 0.704 5.557 1.00 0.36 H new ATOM 0 HB2 PRO A 8 -11.111 -1.729 5.208 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.645 -0.705 6.552 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.394 -3.153 6.562 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.310 -2.570 7.809 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -14.099 -2.164 7.785 1.00 0.30 H new ATOM 0 HD3 PRO A 8 -12.965 -1.269 8.777 1.00 0.30 H new ATOM 123 N LYS A 9 -12.766 -0.641 3.376 1.00 -0.73 N ATOM 124 CA LYS A 9 -13.313 -0.870 2.033 1.00 0.36 C ATOM 125 C LYS A 9 -13.947 0.388 1.439 1.00 0.57 C ATOM 126 O LYS A 9 -14.595 0.296 0.400 1.00 -0.57 O ATOM 127 CB LYS A 9 -14.204 -2.132 1.927 1.00 0.00 C ATOM 128 CG LYS A 9 -15.727 -1.990 2.165 1.00 0.00 C ATOM 129 CD LYS A 9 -16.595 -2.231 0.915 1.00 0.00 C ATOM 130 CE LYS A 9 -18.008 -2.662 1.349 1.00 0.50 C ATOM 131 NZ LYS A 9 -18.626 -3.642 0.428 1.00 -0.85 N ATOM 0 H LYS A 9 -11.778 -0.391 3.344 1.00 -0.73 H new ATOM 0 HA LYS A 9 -12.457 -1.097 1.398 1.00 0.36 H new ATOM 0 HB2 LYS A 9 -14.063 -2.553 0.932 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.825 -2.865 2.640 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -16.028 -2.693 2.941 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -15.931 -0.989 2.546 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -16.648 -1.323 0.315 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -16.144 -3.001 0.289 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -17.958 -3.093 2.349 1.00 0.50 H new ATOM 0 HE3 LYS A 9 -18.646 -1.781 1.413 1.00 0.50 H new ATOM 0 HZ1 LYS A 9 -19.574 -3.893 0.773 1.00 -0.85 H new ATOM 0 HZ2 LYS A 9 -18.702 -3.225 -0.522 1.00 -0.85 H new ATOM 0 HZ3 LYS A 9 -18.036 -4.497 0.384 1.00 -0.85 H new ATOM 145 N TRP A 10 -13.741 1.554 2.070 1.00 -0.73 N ATOM 146 CA TRP A 10 -14.439 2.800 1.762 1.00 0.36 C ATOM 147 C TRP A 10 -15.965 2.608 1.872 1.00 0.57 C ATOM 148 O TRP A 10 -16.447 1.634 2.453 1.00 -0.57 O ATOM 149 CB TRP A 10 -13.960 3.359 0.401 1.00 0.18 C ATOM 150 CG TRP A 10 -12.482 3.581 0.285 1.00 -0.18 C ATOM 151 CD1 TRP A 10 -11.549 2.632 0.037 1.00 -0.30 C ATOM 152 CD2 TRP A 10 -11.743 4.829 0.452 1.00 0.00 C ATOM 153 NE1 TRP A 10 -10.293 3.197 0.079 1.00 0.03 N ATOM 154 CE2 TRP A 10 -10.358 4.557 0.254 1.00 -0.15 C ATOM 155 CE3 TRP A 10 -12.095 6.158 0.784 1.00 -0.15 C ATOM 156 CZ2 TRP A 10 -9.378 5.551 0.332 1.00 -0.15 C ATOM 157 CZ3 TRP A 10 -11.112 7.158 0.911 1.00 -0.15 C ATOM 158 CH2 TRP A 10 -9.763 6.857 0.671 1.00 -0.15 C ATOM 0 H TRP A 10 -13.065 1.653 2.828 1.00 -0.73 H new ATOM 0 HA TRP A 10 -14.189 3.562 2.501 1.00 0.36 H new ATOM 0 HB2 TRP A 10 -14.270 2.671 -0.385 1.00 0.18 H new ATOM 0 HB3 TRP A 10 -14.469 4.305 0.216 1.00 0.18 H new ATOM 0 HD1 TRP A 10 -11.757 1.591 -0.163 1.00 -0.30 H new ATOM 0 HE1 TRP A 10 -9.424 2.671 -0.009 1.00 0.03 H new ATOM 0 HE3 TRP A 10 -13.133 6.410 0.942 1.00 -0.15 H new ATOM 0 HZ2 TRP A 10 -8.342 5.318 0.135 1.00 -0.15 H new ATOM 0 HZ3 TRP A 10 -11.398 8.160 1.194 1.00 -0.15 H new ATOM 0 HH2 TRP A 10 -9.017 7.634 0.748 1.00 -0.15 H new ATOM 169 N THR A 11 -16.735 3.565 1.346 1.00 -0.73 N ATOM 170 CA THR A 11 -18.199 3.514 1.327 1.00 0.36 C ATOM 171 C THR A 11 -18.719 3.094 -0.064 1.00 0.57 C ATOM 172 O THR A 11 -19.898 2.760 -0.201 1.00 -0.57 O ATOM 173 CB THR A 11 -18.727 4.886 1.795 1.00 0.28 C ATOM 174 OG1 THR A 11 -18.258 5.161 3.107 1.00 -0.68 O ATOM 175 CG2 THR A 11 -20.255 5.008 1.813 1.00 0.00 C ATOM 0 H THR A 11 -16.354 4.408 0.916 1.00 -0.73 H new ATOM 0 HA THR A 11 -18.573 2.752 2.011 1.00 0.36 H new ATOM 0 HB THR A 11 -18.351 5.600 1.062 1.00 0.28 H new ATOM 0 HG1 THR A 11 -18.595 6.034 3.399 1.00 -0.68 H new ATOM 0 HG21 THR A 11 -20.536 6.004 2.154 1.00 0.00 H new ATOM 0 HG22 THR A 11 -20.645 4.845 0.808 1.00 0.00 H new ATOM 0 HG23 THR A 11 -20.672 4.262 2.489 1.00 0.00 H new ATOM 183 N SER A 12 -17.845 3.058 -1.081 1.00 -0.73 N ATOM 184 CA SER A 12 -18.147 2.624 -2.440 1.00 0.36 C ATOM 185 C SER A 12 -17.278 1.416 -2.772 1.00 0.57 C ATOM 186 O SER A 12 -16.142 1.321 -2.314 1.00 -0.57 O ATOM 187 CB SER A 12 -17.853 3.763 -3.427 1.00 0.28 C ATOM 188 OG SER A 12 -18.132 3.349 -4.751 1.00 -0.68 O ATOM 0 H SER A 12 -16.872 3.343 -0.968 1.00 -0.73 H new ATOM 0 HA SER A 12 -19.200 2.355 -2.518 1.00 0.36 H new ATOM 0 HB2 SER A 12 -18.457 4.635 -3.177 1.00 0.28 H new ATOM 0 HB3 SER A 12 -16.809 4.064 -3.345 1.00 0.28 H new ATOM 0 HG SER A 12 -17.942 4.084 -5.371 1.00 -0.68 H new ATOM 194 N LYS A 13 -17.794 0.527 -3.628 1.00 -0.73 N ATOM 195 CA LYS A 13 -17.039 -0.606 -4.168 1.00 0.36 C ATOM 196 C LYS A 13 -15.984 -0.176 -5.186 1.00 0.57 C ATOM 197 O LYS A 13 -15.167 -1.008 -5.578 1.00 -0.57 O ATOM 198 CB LYS A 13 -17.995 -1.630 -4.802 1.00 0.00 C ATOM 199 CG LYS A 13 -18.597 -1.142 -6.133 1.00 0.00 C ATOM 200 CD LYS A 13 -19.649 -2.118 -6.661 1.00 0.00 C ATOM 201 CE LYS A 13 -20.214 -1.602 -7.993 1.00 0.50 C ATOM 202 NZ LYS A 13 -21.392 -2.385 -8.433 1.00 -0.85 N ATOM 0 H LYS A 13 -18.755 0.575 -3.967 1.00 -0.73 H new ATOM 0 HA LYS A 13 -16.512 -1.065 -3.331 1.00 0.36 H new ATOM 0 HB2 LYS A 13 -17.459 -2.564 -4.972 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -18.802 -1.848 -4.102 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -19.048 -0.160 -5.992 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -17.804 -1.025 -6.872 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -19.206 -3.104 -6.801 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -20.453 -2.230 -5.933 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -20.494 -0.554 -7.887 1.00 0.50 H new ATOM 0 HE3 LYS A 13 -19.440 -1.650 -8.759 1.00 0.50 H new ATOM 0 HZ1 LYS A 13 -21.744 -2.006 -9.335 1.00 -0.85 H new ATOM 0 HZ2 LYS A 13 -21.120 -3.381 -8.559 1.00 -0.85 H new ATOM 0 HZ3 LYS A 13 -22.141 -2.319 -7.714 1.00 -0.85 H new ATOM 216 N VAL A 14 -16.028 1.082 -5.640 1.00 -0.73 N ATOM 217 CA VAL A 14 -15.111 1.632 -6.617 1.00 0.36 C ATOM 218 C VAL A 14 -14.455 2.837 -5.948 1.00 0.57 C ATOM 219 O VAL A 14 -15.146 3.785 -5.562 1.00 -0.57 O ATOM 220 CB VAL A 14 -15.817 1.890 -7.968 1.00 0.00 C ATOM 221 CG1 VAL A 14 -16.908 2.976 -7.971 1.00 0.00 C ATOM 222 CG2 VAL A 14 -14.779 2.224 -9.041 1.00 0.00 C ATOM 0 H VAL A 14 -16.725 1.755 -5.323 1.00 -0.73 H new ATOM 0 HA VAL A 14 -14.319 0.940 -6.904 1.00 0.36 H new ATOM 0 HB VAL A 14 -16.342 0.958 -8.178 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -17.329 3.066 -8.972 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -17.696 2.702 -7.269 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -16.473 3.930 -7.674 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -15.283 2.405 -9.991 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -14.227 3.117 -8.748 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -14.087 1.389 -9.150 1.00 0.00 H new ATOM 232 N VAL A 15 -13.132 2.771 -5.768 1.00 -0.73 N ATOM 233 CA VAL A 15 -12.350 3.820 -5.120 1.00 0.36 C ATOM 234 C VAL A 15 -11.486 4.504 -6.183 1.00 0.57 C ATOM 235 O VAL A 15 -10.968 3.829 -7.073 1.00 -0.57 O ATOM 236 CB VAL A 15 -11.541 3.210 -3.954 1.00 0.00 C ATOM 237 CG1 VAL A 15 -10.465 2.201 -4.386 1.00 0.00 C ATOM 238 CG2 VAL A 15 -10.881 4.328 -3.146 1.00 0.00 C ATOM 0 H VAL A 15 -12.570 1.976 -6.073 1.00 -0.73 H new ATOM 0 HA VAL A 15 -12.986 4.587 -4.679 1.00 0.36 H new ATOM 0 HB VAL A 15 -12.261 2.654 -3.353 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.946 1.823 -3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.935 1.371 -4.914 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.750 2.692 -5.046 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.311 3.895 -2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.212 4.897 -3.791 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -11.649 4.990 -2.746 1.00 0.00 H new ATOM 248 N THR A 16 -11.319 5.829 -6.118 1.00 -0.73 N ATOM 249 CA THR A 16 -10.544 6.535 -7.139 1.00 0.36 C ATOM 250 C THR A 16 -9.144 6.887 -6.628 1.00 0.57 C ATOM 251 O THR A 16 -8.960 7.154 -5.441 1.00 -0.57 O ATOM 252 CB THR A 16 -11.357 7.696 -7.733 1.00 0.28 C ATOM 253 OG1 THR A 16 -10.647 8.387 -8.726 1.00 -0.68 O ATOM 254 CG2 THR A 16 -11.876 8.693 -6.702 1.00 0.00 C ATOM 0 H THR A 16 -11.703 6.423 -5.383 1.00 -0.73 H new ATOM 0 HA THR A 16 -10.354 5.875 -7.985 1.00 0.36 H new ATOM 0 HB THR A 16 -12.225 7.208 -8.176 1.00 0.28 H new ATOM 0 HG1 THR A 16 -11.249 9.008 -9.187 1.00 -0.68 H new ATOM 0 HG21 THR A 16 -12.438 9.479 -7.207 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.526 8.179 -5.994 1.00 0.00 H new ATOM 0 HG23 THR A 16 -11.035 9.135 -6.167 1.00 0.00 H new ATOM 262 N TYR A 17 -8.144 6.903 -7.522 1.00 -0.73 N ATOM 263 CA TYR A 17 -6.751 7.185 -7.173 1.00 0.36 C ATOM 264 C TYR A 17 -6.147 8.270 -8.068 1.00 0.57 C ATOM 265 O TYR A 17 -6.598 8.501 -9.194 1.00 -0.57 O ATOM 266 CB TYR A 17 -5.908 5.893 -7.190 1.00 0.14 C ATOM 267 CG TYR A 17 -5.731 5.242 -8.550 1.00 -0.14 C ATOM 268 CD1 TYR A 17 -6.688 4.321 -9.008 1.00 -0.15 C ATOM 269 CD2 TYR A 17 -4.613 5.547 -9.353 1.00 -0.15 C ATOM 270 CE1 TYR A 17 -6.571 3.750 -10.285 1.00 -0.15 C ATOM 271 CE2 TYR A 17 -4.470 4.956 -10.622 1.00 -0.15 C ATOM 272 CZ TYR A 17 -5.461 4.067 -11.103 1.00 0.08 C ATOM 273 OH TYR A 17 -5.356 3.526 -12.347 1.00 -0.53 O ATOM 0 H TYR A 17 -8.285 6.718 -8.515 1.00 -0.73 H new ATOM 0 HA TYR A 17 -6.738 7.577 -6.156 1.00 0.36 H new ATOM 0 HB2 TYR A 17 -4.922 6.119 -6.784 1.00 0.14 H new ATOM 0 HB3 TYR A 17 -6.371 5.170 -6.519 1.00 0.14 H new ATOM 0 HD1 TYR A 17 -7.519 4.051 -8.373 1.00 -0.15 H new ATOM 0 HD2 TYR A 17 -3.864 6.237 -8.993 1.00 -0.15 H new ATOM 0 HE1 TYR A 17 -7.328 3.069 -10.643 1.00 -0.15 H new ATOM 0 HE2 TYR A 17 -3.605 5.180 -11.228 1.00 -0.15 H new ATOM 0 HH TYR A 17 -4.536 3.848 -12.776 1.00 -0.53 H new ATOM 283 N ARG A 18 -5.093 8.935 -7.569 1.00 -0.73 N ATOM 284 CA ARG A 18 -4.334 9.921 -8.333 1.00 0.36 C ATOM 285 C ARG A 18 -2.882 9.925 -7.886 1.00 0.57 C ATOM 286 O ARG A 18 -2.545 10.384 -6.798 1.00 -0.57 O ATOM 287 CB ARG A 18 -4.933 11.332 -8.195 1.00 0.00 C ATOM 288 CG ARG A 18 -4.160 12.383 -9.015 1.00 0.00 C ATOM 289 CD ARG A 18 -4.241 12.160 -10.537 1.00 0.33 C ATOM 290 NE ARG A 18 -2.897 12.042 -11.128 1.00 -0.84 N ATOM 291 CZ ARG A 18 -2.221 12.997 -11.790 1.00 1.20 C ATOM 292 NH1 ARG A 18 -2.793 14.125 -12.207 1.00 -0.97 N ATOM 293 NH2 ARG A 18 -0.930 12.784 -12.015 1.00 -0.97 N ATOM 0 H ARG A 18 -4.747 8.799 -6.619 1.00 -0.73 H new ATOM 0 HA ARG A 18 -4.388 9.638 -9.384 1.00 0.36 H new ATOM 0 HB2 ARG A 18 -5.973 11.315 -8.520 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.932 11.623 -7.144 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.550 13.373 -8.780 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.114 12.372 -8.710 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.814 11.256 -10.745 1.00 0.33 H new ATOM 0 HD3 ARG A 18 -4.774 12.990 -11.001 1.00 0.33 H new ATOM 0 HE ARG A 18 -2.430 11.141 -11.024 1.00 -0.84 H new ATOM 0 HH11 ARG A 18 -3.783 14.291 -12.027 1.00 -0.97 H new ATOM 0 HH12 ARG A 18 -2.241 14.823 -12.706 1.00 -0.97 H new ATOM 0 HH21 ARG A 18 -0.491 11.923 -11.689 1.00 -0.97 H new ATOM 0 HH22 ARG A 18 -0.377 13.481 -12.514 1.00 -0.97 H new ATOM 307 N ILE A 19 -2.007 9.480 -8.776 1.00 -0.73 N ATOM 308 CA ILE A 19 -0.572 9.564 -8.585 1.00 0.36 C ATOM 309 C ILE A 19 -0.155 11.022 -8.883 1.00 0.57 C ATOM 310 O ILE A 19 0.160 11.334 -10.030 1.00 -0.57 O ATOM 311 CB ILE A 19 0.116 8.476 -9.450 1.00 0.00 C ATOM 312 CG1 ILE A 19 -0.486 7.056 -9.262 1.00 0.00 C ATOM 313 CG2 ILE A 19 1.603 8.429 -9.081 1.00 0.00 C ATOM 314 CD1 ILE A 19 -0.147 6.087 -10.401 1.00 0.00 C ATOM 0 H ILE A 19 -2.279 9.047 -9.659 1.00 -0.73 H new ATOM 0 HA ILE A 19 -0.253 9.351 -7.565 1.00 0.36 H new ATOM 0 HB ILE A 19 -0.042 8.752 -10.493 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.124 6.639 -8.322 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.570 7.139 -9.178 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.103 7.668 -9.681 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.057 9.401 -9.276 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.708 8.185 -8.024 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.601 5.117 -10.200 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.533 6.481 -11.341 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.935 5.974 -10.472 1.00 0.00 H new ATOM 326 N VAL A 20 -0.290 11.943 -7.912 1.00 -0.73 N ATOM 327 CA VAL A 20 -0.038 13.398 -8.046 1.00 0.36 C ATOM 328 C VAL A 20 1.433 13.741 -8.307 1.00 0.57 C ATOM 329 O VAL A 20 1.732 14.777 -8.904 1.00 -0.57 O ATOM 330 CB VAL A 20 -0.453 14.179 -6.774 1.00 0.00 C ATOM 331 CG1 VAL A 20 -1.975 14.288 -6.639 1.00 0.00 C ATOM 332 CG2 VAL A 20 0.161 13.621 -5.480 1.00 0.00 C ATOM 0 H VAL A 20 -0.590 11.688 -6.971 1.00 -0.73 H new ATOM 0 HA VAL A 20 -0.642 13.691 -8.904 1.00 0.36 H new ATOM 0 HB VAL A 20 -0.043 15.180 -6.911 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.221 14.843 -5.734 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.381 14.809 -7.506 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.408 13.289 -6.581 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.174 14.218 -4.632 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.155 12.587 -5.344 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.248 13.662 -5.546 1.00 0.00 H new ATOM 342 N SER A 21 2.322 12.885 -7.815 1.00 -0.73 N ATOM 343 CA SER A 21 3.770 12.928 -7.895 1.00 0.36 C ATOM 344 C SER A 21 4.160 11.470 -8.147 1.00 0.57 C ATOM 345 O SER A 21 3.414 10.562 -7.776 1.00 -0.57 O ATOM 346 CB SER A 21 4.346 13.534 -6.593 1.00 0.28 C ATOM 347 OG SER A 21 5.674 13.122 -6.327 1.00 -0.68 O ATOM 0 H SER A 21 2.010 12.062 -7.299 1.00 -0.73 H new ATOM 0 HA SER A 21 4.170 13.565 -8.684 1.00 0.36 H new ATOM 0 HB2 SER A 21 4.317 14.621 -6.662 1.00 0.28 H new ATOM 0 HB3 SER A 21 3.709 13.250 -5.755 1.00 0.28 H new ATOM 0 HG SER A 21 6.189 13.881 -5.983 1.00 -0.68 H new ATOM 353 N TYR A 22 5.315 11.250 -8.769 1.00 -0.73 N ATOM 354 CA TYR A 22 5.809 9.951 -9.213 1.00 0.36 C ATOM 355 C TYR A 22 7.267 9.810 -8.754 1.00 0.57 C ATOM 356 O TYR A 22 7.850 10.755 -8.223 1.00 -0.57 O ATOM 357 CB TYR A 22 5.704 9.844 -10.747 1.00 0.14 C ATOM 358 CG TYR A 22 4.348 9.455 -11.314 1.00 -0.14 C ATOM 359 CD1 TYR A 22 3.402 10.439 -11.665 1.00 -0.15 C ATOM 360 CD2 TYR A 22 4.065 8.098 -11.567 1.00 -0.15 C ATOM 361 CE1 TYR A 22 2.190 10.069 -12.278 1.00 -0.15 C ATOM 362 CE2 TYR A 22 2.858 7.720 -12.182 1.00 -0.15 C ATOM 363 CZ TYR A 22 1.916 8.707 -12.547 1.00 0.08 C ATOM 364 OH TYR A 22 0.746 8.344 -13.149 1.00 -0.53 O ATOM 0 H TYR A 22 5.962 12.008 -8.987 1.00 -0.73 H new ATOM 0 HA TYR A 22 5.211 9.148 -8.781 1.00 0.36 H new ATOM 0 HB2 TYR A 22 5.989 10.805 -11.175 1.00 0.14 H new ATOM 0 HB3 TYR A 22 6.437 9.113 -11.088 1.00 0.14 H new ATOM 0 HD1 TYR A 22 3.608 11.480 -11.463 1.00 -0.15 H new ATOM 0 HD2 TYR A 22 4.782 7.341 -11.286 1.00 -0.15 H new ATOM 0 HE1 TYR A 22 1.467 10.826 -12.544 1.00 -0.15 H new ATOM 0 HE2 TYR A 22 2.652 6.677 -12.375 1.00 -0.15 H new ATOM 0 HH TYR A 22 0.723 7.370 -13.259 1.00 -0.53 H new ATOM 374 N THR A 23 7.859 8.633 -8.975 1.00 -0.73 N ATOM 375 CA THR A 23 9.264 8.361 -8.687 1.00 0.36 C ATOM 376 C THR A 23 10.158 8.664 -9.908 1.00 0.57 C ATOM 377 O THR A 23 9.685 9.118 -10.957 1.00 -0.57 O ATOM 378 CB THR A 23 9.394 6.915 -8.160 1.00 0.28 C ATOM 379 OG1 THR A 23 10.670 6.692 -7.587 1.00 -0.68 O ATOM 380 CG2 THR A 23 9.191 5.867 -9.255 1.00 0.00 C ATOM 0 H THR A 23 7.364 7.831 -9.366 1.00 -0.73 H new ATOM 0 HA THR A 23 9.625 9.029 -7.905 1.00 0.36 H new ATOM 0 HB THR A 23 8.609 6.808 -7.411 1.00 0.28 H new ATOM 0 HG1 THR A 23 10.568 6.221 -6.734 1.00 -0.68 H new ATOM 0 HG21 THR A 23 9.294 4.870 -8.828 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.195 5.977 -9.684 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.940 6.006 -10.035 1.00 0.00 H new ATOM 388 N ARG A 24 11.457 8.369 -9.753 1.00 -0.73 N ATOM 389 CA ARG A 24 12.519 8.563 -10.749 1.00 0.36 C ATOM 390 C ARG A 24 13.385 7.317 -10.976 1.00 0.57 C ATOM 391 O ARG A 24 13.961 7.162 -12.059 1.00 -0.57 O ATOM 392 CB ARG A 24 13.444 9.708 -10.302 1.00 0.00 C ATOM 393 CG ARG A 24 12.967 11.096 -10.752 1.00 0.00 C ATOM 394 CD ARG A 24 14.152 12.076 -10.806 1.00 0.33 C ATOM 395 NE ARG A 24 13.994 13.068 -11.889 1.00 -0.84 N ATOM 396 CZ ARG A 24 14.984 13.756 -12.480 1.00 1.20 C ATOM 397 NH1 ARG A 24 16.249 13.627 -12.071 1.00 -0.97 N ATOM 398 NH2 ARG A 24 14.695 14.587 -13.485 1.00 -0.97 N ATOM 0 H ARG A 24 11.813 7.968 -8.885 1.00 -0.73 H new ATOM 0 HA ARG A 24 12.013 8.791 -11.687 1.00 0.36 H new ATOM 0 HB2 ARG A 24 13.524 9.696 -9.215 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.444 9.531 -10.697 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.499 11.026 -11.734 1.00 0.00 H new ATOM 0 HG3 ARG A 24 12.209 11.469 -10.063 1.00 0.00 H new ATOM 0 HD2 ARG A 24 14.241 12.592 -9.850 1.00 0.33 H new ATOM 0 HD3 ARG A 24 15.077 11.520 -10.955 1.00 0.33 H new ATOM 0 HE ARG A 24 13.045 13.247 -12.218 1.00 -0.84 H new ATOM 0 HH11 ARG A 24 16.474 12.999 -11.299 1.00 -0.97 H new ATOM 0 HH12 ARG A 24 16.990 14.157 -12.530 1.00 -0.97 H new ATOM 0 HH21 ARG A 24 13.730 14.694 -13.797 1.00 -0.97 H new ATOM 0 HH22 ARG A 24 15.440 15.114 -13.941 1.00 -0.97 H new ATOM 412 N ASP A 25 13.502 6.434 -9.980 1.00 -0.73 N ATOM 413 CA ASP A 25 14.292 5.197 -10.074 1.00 0.36 C ATOM 414 C ASP A 25 13.693 4.242 -11.124 1.00 0.57 C ATOM 415 O ASP A 25 14.399 3.418 -11.704 1.00 -0.57 O ATOM 416 CB ASP A 25 14.340 4.534 -8.683 1.00 0.06 C ATOM 417 CG ASP A 25 15.741 4.131 -8.178 1.00 0.66 C ATOM 418 OD1 ASP A 25 16.612 3.761 -8.948 1.00 -0.57 O ATOM 419 OD2 ASP A 25 15.925 4.266 -6.868 1.00 -0.65 O ATOM 0 H ASP A 25 13.047 6.557 -9.075 1.00 -0.73 H new ATOM 0 HA ASP A 25 15.306 5.434 -10.396 1.00 0.36 H new ATOM 0 HB2 ASP A 25 13.897 5.219 -7.960 1.00 0.06 H new ATOM 0 HB3 ASP A 25 13.712 3.643 -8.704 1.00 0.06 H new ATOM 425 N LEU A 26 12.388 4.396 -11.396 1.00 -0.73 N ATOM 426 CA LEU A 26 11.591 3.660 -12.376 1.00 0.36 C ATOM 427 C LEU A 26 10.635 4.647 -13.072 1.00 0.57 C ATOM 428 O LEU A 26 10.286 5.669 -12.478 1.00 -0.57 O ATOM 429 CB LEU A 26 10.770 2.499 -11.754 1.00 0.00 C ATOM 430 CG LEU A 26 10.600 2.471 -10.218 1.00 0.00 C ATOM 431 CD1 LEU A 26 9.233 1.915 -9.810 1.00 0.00 C ATOM 432 CD2 LEU A 26 11.682 1.598 -9.579 1.00 0.00 C ATOM 0 H LEU A 26 11.827 5.088 -10.899 1.00 -0.73 H new ATOM 0 HA LEU A 26 12.283 3.206 -13.085 1.00 0.36 H new ATOM 0 HB2 LEU A 26 9.775 2.517 -12.200 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.237 1.561 -12.055 1.00 0.00 H new ATOM 0 HG LEU A 26 10.685 3.500 -9.870 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.151 1.911 -8.723 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.446 2.540 -10.231 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.127 0.897 -10.185 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.549 1.588 -8.497 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.603 0.581 -9.964 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.665 2.002 -9.820 1.00 0.00 H new ATOM 444 N PRO A 27 10.187 4.352 -14.308 1.00 -0.66 N ATOM 445 CA PRO A 27 9.292 5.223 -15.062 1.00 0.36 C ATOM 446 C PRO A 27 7.839 5.172 -14.561 1.00 0.57 C ATOM 447 O PRO A 27 7.391 4.198 -13.957 1.00 -0.57 O ATOM 448 CB PRO A 27 9.418 4.768 -16.519 1.00 0.00 C ATOM 449 CG PRO A 27 9.861 3.309 -16.443 1.00 0.00 C ATOM 450 CD PRO A 27 10.580 3.194 -15.099 1.00 0.30 C ATOM 0 HA PRO A 27 9.573 6.269 -14.939 1.00 0.36 H new ATOM 0 HB2 PRO A 27 8.469 4.865 -17.046 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.146 5.373 -17.060 1.00 0.00 H new ATOM 0 HG2 PRO A 27 9.008 2.632 -16.495 1.00 0.00 H new ATOM 0 HG3 PRO A 27 10.523 3.052 -17.270 1.00 0.00 H new ATOM 0 HD2 PRO A 27 10.305 2.269 -14.592 1.00 0.30 H new ATOM 0 HD3 PRO A 27 11.661 3.171 -15.240 1.00 0.30 H new ATOM 458 N HIS A 28 7.079 6.225 -14.876 1.00 -0.73 N ATOM 459 CA HIS A 28 5.697 6.424 -14.435 1.00 0.36 C ATOM 460 C HIS A 28 4.750 5.331 -14.947 1.00 0.57 C ATOM 461 O HIS A 28 3.822 4.930 -14.241 1.00 -0.57 O ATOM 462 CB HIS A 28 5.208 7.797 -14.925 1.00 0.17 C ATOM 463 CG HIS A 28 6.191 8.936 -14.753 1.00 0.18 C ATOM 464 ND1 HIS A 28 7.092 9.119 -13.727 1.00 -0.70 N ATOM 465 CD2 HIS A 28 6.388 9.960 -15.642 1.00 0.20 C ATOM 466 CE1 HIS A 28 7.803 10.228 -13.994 1.00 0.65 C ATOM 467 NE2 HIS A 28 7.414 10.776 -15.157 1.00 -0.70 N ATOM 0 H HIS A 28 7.420 6.986 -15.463 1.00 -0.73 H new ATOM 0 HA HIS A 28 5.687 6.373 -13.346 1.00 0.36 H new ATOM 0 HB2 HIS A 28 4.952 7.717 -15.982 1.00 0.17 H new ATOM 0 HB3 HIS A 28 4.290 8.048 -14.393 1.00 0.17 H new ATOM 0 HD2 HIS A 28 5.843 10.111 -16.562 1.00 0.20 H new ATOM 0 HE1 HIS A 28 8.582 10.625 -13.359 1.00 0.65 H new ATOM 0 HE2 HIS A 28 7.790 11.616 -15.596 1.00 -0.70 H new ATOM 476 N ILE A 29 5.001 4.828 -16.163 1.00 -0.73 N ATOM 477 CA ILE A 29 4.243 3.727 -16.737 1.00 0.36 C ATOM 478 C ILE A 29 4.510 2.436 -15.957 1.00 0.57 C ATOM 479 O ILE A 29 3.573 1.679 -15.711 1.00 -0.57 O ATOM 480 CB ILE A 29 4.540 3.616 -18.253 1.00 0.00 C ATOM 481 CG1 ILE A 29 3.542 2.660 -18.942 1.00 0.00 C ATOM 482 CG2 ILE A 29 5.995 3.209 -18.562 1.00 0.00 C ATOM 483 CD1 ILE A 29 3.363 2.987 -20.430 1.00 0.00 C ATOM 0 H ILE A 29 5.740 5.180 -16.772 1.00 -0.73 H new ATOM 0 HA ILE A 29 3.174 3.917 -16.647 1.00 0.36 H new ATOM 0 HB ILE A 29 4.410 4.617 -18.663 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.892 1.633 -18.837 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.577 2.721 -18.439 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.135 3.150 -19.641 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.676 3.952 -18.148 1.00 0.00 H new ATOM 0 HG23 ILE A 29 6.204 2.237 -18.115 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.653 2.289 -20.873 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.987 4.004 -20.536 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.323 2.900 -20.940 1.00 0.00 H new ATOM 495 N THR A 30 5.753 2.216 -15.505 1.00 -0.73 N ATOM 496 CA THR A 30 6.105 1.103 -14.634 1.00 0.36 C ATOM 497 C THR A 30 5.451 1.298 -13.265 1.00 0.57 C ATOM 498 O THR A 30 4.929 0.325 -12.734 1.00 -0.57 O ATOM 499 CB THR A 30 7.636 0.944 -14.576 1.00 0.28 C ATOM 500 OG1 THR A 30 8.063 0.323 -15.775 1.00 -0.68 O ATOM 501 CG2 THR A 30 8.182 0.122 -13.407 1.00 0.00 C ATOM 0 H THR A 30 6.544 2.815 -15.740 1.00 -0.73 H new ATOM 0 HA THR A 30 5.719 0.165 -15.032 1.00 0.36 H new ATOM 0 HB THR A 30 8.024 1.953 -14.437 1.00 0.28 H new ATOM 0 HG1 THR A 30 9.037 0.214 -15.758 1.00 -0.68 H new ATOM 0 HG21 THR A 30 9.269 0.078 -13.470 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.891 0.590 -12.466 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.775 -0.888 -13.451 1.00 0.00 H new ATOM 509 N VAL A 31 5.398 2.522 -12.721 1.00 -0.73 N ATOM 510 CA VAL A 31 4.649 2.796 -11.494 1.00 0.36 C ATOM 511 C VAL A 31 3.181 2.383 -11.668 1.00 0.57 C ATOM 512 O VAL A 31 2.726 1.550 -10.890 1.00 -0.57 O ATOM 513 CB VAL A 31 4.816 4.267 -11.056 1.00 0.00 C ATOM 514 CG1 VAL A 31 3.800 4.688 -9.982 1.00 0.00 C ATOM 515 CG2 VAL A 31 6.225 4.521 -10.513 1.00 0.00 C ATOM 0 H VAL A 31 5.867 3.337 -13.115 1.00 -0.73 H new ATOM 0 HA VAL A 31 5.057 2.193 -10.683 1.00 0.36 H new ATOM 0 HB VAL A 31 4.640 4.864 -11.951 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.966 5.731 -9.713 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.789 4.570 -10.371 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.924 4.062 -9.098 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.316 5.565 -10.212 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.404 3.877 -9.652 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.959 4.302 -11.289 1.00 0.00 H new ATOM 525 N ASP A 32 2.460 2.899 -12.681 1.00 -0.73 N ATOM 526 CA ASP A 32 1.040 2.561 -12.908 1.00 0.36 C ATOM 527 C ASP A 32 0.872 1.071 -13.211 1.00 0.57 C ATOM 528 O ASP A 32 -0.105 0.474 -12.772 1.00 -0.57 O ATOM 529 CB ASP A 32 0.436 3.424 -14.040 1.00 0.06 C ATOM 530 CG ASP A 32 -1.084 3.243 -14.289 1.00 0.66 C ATOM 531 OD1 ASP A 32 -1.836 3.618 -13.404 1.00 -0.57 O ATOM 532 OD2 ASP A 32 -1.498 2.854 -15.492 1.00 -0.65 O ATOM 0 H ASP A 32 2.841 3.557 -13.361 1.00 -0.73 H new ATOM 0 HA ASP A 32 0.495 2.782 -11.990 1.00 0.36 H new ATOM 0 HB2 ASP A 32 0.625 4.473 -13.812 1.00 0.06 H new ATOM 0 HB3 ASP A 32 0.966 3.198 -14.965 1.00 0.06 H new ATOM 538 N ARG A 33 1.825 0.436 -13.911 1.00 -0.73 N ATOM 539 CA ARG A 33 1.770 -0.999 -14.195 1.00 0.36 C ATOM 540 C ARG A 33 1.948 -1.839 -12.936 1.00 0.57 C ATOM 541 O ARG A 33 1.163 -2.765 -12.718 1.00 -0.57 O ATOM 542 CB ARG A 33 2.833 -1.393 -15.239 1.00 0.00 C ATOM 543 CG ARG A 33 2.330 -1.267 -16.684 1.00 0.00 C ATOM 544 CD ARG A 33 1.139 -2.217 -16.905 1.00 0.33 C ATOM 545 NE ARG A 33 1.266 -3.025 -18.128 1.00 -0.84 N ATOM 546 CZ ARG A 33 0.685 -4.219 -18.333 1.00 1.20 C ATOM 547 NH1 ARG A 33 -0.177 -4.725 -17.445 1.00 -0.97 N ATOM 548 NH2 ARG A 33 0.981 -4.909 -19.431 1.00 -0.97 N ATOM 0 H ARG A 33 2.648 0.902 -14.292 1.00 -0.73 H new ATOM 0 HA ARG A 33 0.778 -1.203 -14.598 1.00 0.36 H new ATOM 0 HB2 ARG A 33 3.712 -0.762 -15.110 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.149 -2.421 -15.058 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.030 -0.239 -16.886 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.133 -1.507 -17.381 1.00 0.00 H new ATOM 0 HD2 ARG A 33 1.047 -2.881 -16.046 1.00 0.33 H new ATOM 0 HD3 ARG A 33 0.220 -1.633 -16.956 1.00 0.33 H new ATOM 0 HE ARG A 33 1.842 -2.648 -18.881 1.00 -0.84 H new ATOM 0 HH11 ARG A 33 -0.402 -4.203 -16.598 1.00 -0.97 H new ATOM 0 HH12 ARG A 33 -0.610 -5.633 -17.615 1.00 -0.97 H new ATOM 0 HH21 ARG A 33 1.644 -4.531 -20.108 1.00 -0.97 H new ATOM 0 HH22 ARG A 33 0.545 -5.816 -19.596 1.00 -0.97 H new ATOM 562 N LEU A 34 2.970 -1.539 -12.132 1.00 -0.73 N ATOM 563 CA LEU A 34 3.240 -2.241 -10.886 1.00 0.36 C ATOM 564 C LEU A 34 2.077 -2.005 -9.926 1.00 0.57 C ATOM 565 O LEU A 34 1.585 -2.968 -9.344 1.00 -0.57 O ATOM 566 CB LEU A 34 4.592 -1.807 -10.298 1.00 0.00 C ATOM 567 CG LEU A 34 5.807 -2.611 -10.822 1.00 0.00 C ATOM 568 CD1 LEU A 34 5.837 -2.912 -12.329 1.00 0.00 C ATOM 569 CD2 LEU A 34 7.084 -1.881 -10.415 1.00 0.00 C ATOM 0 H LEU A 34 3.637 -0.794 -12.334 1.00 -0.73 H new ATOM 0 HA LEU A 34 3.319 -3.313 -11.067 1.00 0.36 H new ATOM 0 HB2 LEU A 34 4.748 -0.751 -10.519 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.550 -1.902 -9.213 1.00 0.00 H new ATOM 0 HG LEU A 34 5.719 -3.595 -10.361 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.736 -3.479 -12.569 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.957 -3.495 -12.601 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.839 -1.976 -12.887 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.951 -2.435 -10.777 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.085 -0.881 -10.849 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.129 -1.805 -9.329 1.00 0.00 H new ATOM 581 N VAL A 35 1.571 -0.771 -9.815 1.00 -0.73 N ATOM 582 CA VAL A 35 0.357 -0.492 -9.058 1.00 0.36 C ATOM 583 C VAL A 35 -0.828 -1.282 -9.620 1.00 0.57 C ATOM 584 O VAL A 35 -1.533 -1.891 -8.824 1.00 -0.57 O ATOM 585 CB VAL A 35 0.119 1.034 -8.951 1.00 0.00 C ATOM 586 CG1 VAL A 35 -1.350 1.464 -8.874 1.00 0.00 C ATOM 587 CG2 VAL A 35 0.836 1.547 -7.692 1.00 0.00 C ATOM 0 H VAL A 35 1.992 0.052 -10.246 1.00 -0.73 H new ATOM 0 HA VAL A 35 0.476 -0.841 -8.032 1.00 0.36 H new ATOM 0 HB VAL A 35 0.509 1.462 -9.874 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.408 2.550 -8.802 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.874 1.132 -9.770 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.815 1.017 -7.995 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.681 2.622 -7.597 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.433 1.044 -6.813 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.903 1.340 -7.771 1.00 0.00 H new ATOM 597 N SER A 36 -1.027 -1.351 -10.942 1.00 -0.73 N ATOM 598 CA SER A 36 -2.118 -2.117 -11.539 1.00 0.36 C ATOM 599 C SER A 36 -2.051 -3.582 -11.114 1.00 0.57 C ATOM 600 O SER A 36 -3.059 -4.090 -10.625 1.00 -0.57 O ATOM 601 CB SER A 36 -2.128 -1.991 -13.071 1.00 0.28 C ATOM 602 OG SER A 36 -3.126 -1.083 -13.496 1.00 -0.68 O ATOM 0 H SER A 36 -0.435 -0.877 -11.624 1.00 -0.73 H new ATOM 0 HA SER A 36 -3.053 -1.696 -11.170 1.00 0.36 H new ATOM 0 HB2 SER A 36 -1.152 -1.653 -13.419 1.00 0.28 H new ATOM 0 HB3 SER A 36 -2.305 -2.969 -13.519 1.00 0.28 H new ATOM 0 HG SER A 36 -3.113 -1.017 -14.474 1.00 -0.68 H new ATOM 608 N LYS A 37 -0.891 -4.247 -11.238 1.00 -0.73 N ATOM 609 CA LYS A 37 -0.769 -5.648 -10.821 1.00 0.36 C ATOM 610 C LYS A 37 -0.820 -5.808 -9.288 1.00 0.57 C ATOM 611 O LYS A 37 -1.390 -6.786 -8.813 1.00 -0.57 O ATOM 612 CB LYS A 37 0.450 -6.339 -11.465 1.00 0.00 C ATOM 613 CG LYS A 37 1.789 -5.825 -10.935 1.00 0.00 C ATOM 614 CD LYS A 37 3.060 -6.488 -11.483 1.00 0.00 C ATOM 615 CE LYS A 37 3.296 -7.906 -10.937 1.00 0.50 C ATOM 616 NZ LYS A 37 2.766 -8.973 -11.812 1.00 -0.85 N ATOM 0 H LYS A 37 -0.036 -3.841 -11.619 1.00 -0.73 H new ATOM 0 HA LYS A 37 -1.646 -6.172 -11.201 1.00 0.36 H new ATOM 0 HB2 LYS A 37 0.385 -7.413 -11.288 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.414 -6.191 -12.544 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.848 -4.757 -11.144 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.789 -5.938 -9.851 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.998 -6.532 -12.570 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.920 -5.865 -11.238 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.366 -8.059 -10.798 1.00 0.50 H new ATOM 0 HE3 LYS A 37 2.832 -7.990 -9.954 1.00 0.50 H new ATOM 0 HZ1 LYS A 37 2.583 -9.826 -11.247 1.00 -0.85 H new ATOM 0 HZ2 LYS A 37 1.880 -8.653 -12.253 1.00 -0.85 H new ATOM 0 HZ3 LYS A 37 3.462 -9.192 -12.553 1.00 -0.85 H new ATOM 630 N ALA A 38 -0.279 -4.865 -8.502 1.00 -0.73 N ATOM 631 CA ALA A 38 -0.322 -4.910 -7.037 1.00 0.36 C ATOM 632 C ALA A 38 -1.754 -4.733 -6.520 1.00 0.57 C ATOM 633 O ALA A 38 -2.195 -5.455 -5.625 1.00 -0.57 O ATOM 634 CB ALA A 38 0.567 -3.805 -6.454 1.00 0.00 C ATOM 0 H ALA A 38 0.203 -4.045 -8.870 1.00 -0.73 H new ATOM 0 HA ALA A 38 0.044 -5.886 -6.720 1.00 0.36 H new ATOM 0 HB1 ALA A 38 0.530 -3.845 -5.365 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.594 -3.951 -6.788 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.209 -2.833 -6.794 1.00 0.00 H new ATOM 640 N LEU A 39 -2.498 -3.794 -7.105 1.00 -0.73 N ATOM 641 CA LEU A 39 -3.911 -3.597 -6.823 1.00 0.36 C ATOM 642 C LEU A 39 -4.718 -4.779 -7.333 1.00 0.57 C ATOM 643 O LEU A 39 -5.637 -5.202 -6.640 1.00 -0.57 O ATOM 644 CB LEU A 39 -4.423 -2.302 -7.470 1.00 0.00 C ATOM 645 CG LEU A 39 -4.033 -1.034 -6.692 1.00 0.00 C ATOM 646 CD1 LEU A 39 -4.443 0.204 -7.498 1.00 0.00 C ATOM 647 CD2 LEU A 39 -4.728 -0.991 -5.325 1.00 0.00 C ATOM 0 H LEU A 39 -2.127 -3.143 -7.797 1.00 -0.73 H new ATOM 0 HA LEU A 39 -4.033 -3.517 -5.743 1.00 0.36 H new ATOM 0 HB2 LEU A 39 -4.031 -2.232 -8.484 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.509 -2.350 -7.551 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.954 -1.046 -6.536 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.167 1.104 -6.948 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.933 0.197 -8.461 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.521 0.193 -7.659 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.435 -0.084 -4.796 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.809 -0.995 -5.466 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.435 -1.863 -4.740 1.00 0.00 H new ATOM 659 N ASN A 40 -4.367 -5.354 -8.490 1.00 -0.73 N ATOM 660 CA ASN A 40 -4.994 -6.583 -8.966 1.00 0.36 C ATOM 661 C ASN A 40 -4.744 -7.730 -7.987 1.00 0.57 C ATOM 662 O ASN A 40 -5.643 -8.521 -7.751 1.00 -0.57 O ATOM 663 CB ASN A 40 -4.481 -6.946 -10.365 1.00 0.06 C ATOM 664 CG ASN A 40 -5.201 -8.150 -10.965 1.00 0.57 C ATOM 665 OD1 ASN A 40 -6.407 -8.315 -10.829 1.00 -0.57 O ATOM 666 ND2 ASN A 40 -4.486 -8.981 -11.711 1.00 -0.80 N ATOM 0 H ASN A 40 -3.649 -4.983 -9.112 1.00 -0.73 H new ATOM 0 HA ASN A 40 -6.069 -6.415 -9.029 1.00 0.36 H new ATOM 0 HB2 ASN A 40 -4.604 -6.088 -11.026 1.00 0.06 H new ATOM 0 HB3 ASN A 40 -3.413 -7.157 -10.312 1.00 0.06 H new ATOM 0 HD21 ASN A 40 -4.940 -9.766 -12.178 1.00 -0.80 H new ATOM 0 HD22 ASN A 40 -3.482 -8.835 -11.818 1.00 -0.80 H new ATOM 673 N MET A 41 -3.561 -7.813 -7.373 1.00 -0.73 N ATOM 674 CA MET A 41 -3.268 -8.782 -6.318 1.00 0.36 C ATOM 675 C MET A 41 -4.124 -8.549 -5.061 1.00 0.57 C ATOM 676 O MET A 41 -4.557 -9.524 -4.452 1.00 -0.57 O ATOM 677 CB MET A 41 -1.769 -8.741 -5.986 1.00 0.00 C ATOM 678 CG MET A 41 -0.918 -9.649 -6.882 1.00 0.23 C ATOM 679 SD MET A 41 0.809 -9.117 -7.117 1.00 -0.46 S ATOM 680 CE MET A 41 1.346 -8.797 -5.413 1.00 0.23 C ATOM 0 H MET A 41 -2.774 -7.204 -7.597 1.00 -0.73 H new ATOM 0 HA MET A 41 -3.527 -9.775 -6.686 1.00 0.36 H new ATOM 0 HB2 MET A 41 -1.412 -7.715 -6.079 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.627 -9.035 -4.946 1.00 0.00 H new ATOM 0 HG2 MET A 41 -0.917 -10.653 -6.457 1.00 0.23 H new ATOM 0 HG3 MET A 41 -1.396 -9.718 -7.859 1.00 0.23 H new ATOM 0 HE1 MET A 41 2.415 -8.586 -5.402 1.00 0.23 H new ATOM 0 HE2 MET A 41 0.803 -7.940 -5.015 1.00 0.23 H new ATOM 0 HE3 MET A 41 1.143 -9.673 -4.797 1.00 0.23 H new ATOM 690 N TRP A 42 -4.409 -7.294 -4.686 1.00 -0.73 N ATOM 691 CA TRP A 42 -5.340 -6.995 -3.591 1.00 0.36 C ATOM 692 C TRP A 42 -6.785 -7.340 -3.990 1.00 0.57 C ATOM 693 O TRP A 42 -7.479 -8.076 -3.285 1.00 -0.57 O ATOM 694 CB TRP A 42 -5.183 -5.522 -3.159 1.00 0.18 C ATOM 695 CG TRP A 42 -4.217 -5.326 -2.030 1.00 -0.18 C ATOM 696 CD1 TRP A 42 -2.875 -5.185 -2.134 1.00 -0.30 C ATOM 697 CD2 TRP A 42 -4.501 -5.305 -0.597 1.00 0.00 C ATOM 698 NE1 TRP A 42 -2.326 -5.127 -0.868 1.00 0.03 N ATOM 699 CE2 TRP A 42 -3.268 -5.310 0.114 1.00 -0.15 C ATOM 700 CE3 TRP A 42 -5.676 -5.300 0.179 1.00 -0.15 C ATOM 701 CZ2 TRP A 42 -3.198 -5.430 1.509 1.00 -0.15 C ATOM 702 CZ3 TRP A 42 -5.624 -5.372 1.584 1.00 -0.15 C ATOM 703 CH2 TRP A 42 -4.389 -5.476 2.250 1.00 -0.15 C ATOM 0 H TRP A 42 -4.006 -6.467 -5.127 1.00 -0.73 H new ATOM 0 HA TRP A 42 -5.099 -7.620 -2.731 1.00 0.36 H new ATOM 0 HB2 TRP A 42 -4.852 -4.935 -4.015 1.00 0.18 H new ATOM 0 HB3 TRP A 42 -6.157 -5.133 -2.864 1.00 0.18 H new ATOM 0 HD1 TRP A 42 -2.322 -5.127 -3.060 1.00 -0.30 H new ATOM 0 HE1 TRP A 42 -1.336 -4.967 -0.684 1.00 0.03 H new ATOM 0 HE3 TRP A 42 -6.635 -5.240 -0.313 1.00 -0.15 H new ATOM 0 HZ2 TRP A 42 -2.241 -5.486 2.006 1.00 -0.15 H new ATOM 0 HZ3 TRP A 42 -6.540 -5.347 2.156 1.00 -0.15 H new ATOM 0 HH2 TRP A 42 -4.358 -5.590 3.323 1.00 -0.15 H new ATOM 714 N GLY A 43 -7.224 -6.878 -5.165 1.00 -0.73 N ATOM 715 CA GLY A 43 -8.551 -7.127 -5.719 1.00 0.36 C ATOM 716 C GLY A 43 -8.752 -8.564 -6.224 1.00 0.57 C ATOM 717 O GLY A 43 -9.855 -8.934 -6.619 1.00 -0.57 O ATOM 0 H GLY A 43 -6.643 -6.302 -5.774 1.00 -0.73 H new ATOM 0 HA2 GLY A 43 -9.299 -6.912 -4.956 1.00 0.36 H new ATOM 0 HA3 GLY A 43 -8.727 -6.435 -6.542 1.00 0.36 H new ATOM 721 N LYS A 44 -7.707 -9.398 -6.213 1.00 -0.73 N ATOM 722 CA LYS A 44 -7.824 -10.821 -6.523 1.00 0.36 C ATOM 723 C LYS A 44 -8.613 -11.550 -5.441 1.00 0.57 C ATOM 724 O LYS A 44 -9.217 -12.583 -5.734 1.00 -0.57 O ATOM 725 CB LYS A 44 -6.434 -11.465 -6.697 1.00 0.00 C ATOM 726 CG LYS A 44 -6.192 -11.888 -8.151 1.00 0.00 C ATOM 727 CD LYS A 44 -4.992 -12.835 -8.255 1.00 0.00 C ATOM 728 CE LYS A 44 -4.713 -13.153 -9.730 1.00 0.50 C ATOM 729 NZ LYS A 44 -3.296 -13.512 -9.962 1.00 -0.85 N ATOM 0 H LYS A 44 -6.757 -9.102 -5.988 1.00 -0.73 H new ATOM 0 HA LYS A 44 -8.365 -10.912 -7.465 1.00 0.36 H new ATOM 0 HB2 LYS A 44 -5.663 -10.759 -6.389 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.350 -12.334 -6.045 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.082 -12.379 -8.544 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.017 -11.005 -8.766 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.114 -12.377 -7.799 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.193 -13.755 -7.706 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.352 -13.975 -10.051 1.00 0.50 H new ATOM 0 HE3 LYS A 44 -4.973 -12.290 -10.342 1.00 0.50 H new ATOM 0 HZ1 LYS A 44 -3.151 -13.719 -10.971 1.00 -0.85 H new ATOM 0 HZ2 LYS A 44 -2.686 -12.718 -9.680 1.00 -0.85 H new ATOM 0 HZ3 LYS A 44 -3.054 -14.351 -9.398 1.00 -0.85 H new ATOM 743 N GLU A 45 -8.603 -11.015 -4.216 1.00 -0.73 N ATOM 744 CA GLU A 45 -9.289 -11.603 -3.077 1.00 0.36 C ATOM 745 C GLU A 45 -10.617 -10.892 -2.815 1.00 0.57 C ATOM 746 O GLU A 45 -11.594 -11.559 -2.472 1.00 -0.57 O ATOM 747 CB GLU A 45 -8.396 -11.489 -1.840 1.00 0.00 C ATOM 748 CG GLU A 45 -7.191 -12.445 -1.844 1.00 0.06 C ATOM 749 CD GLU A 45 -7.635 -13.893 -1.566 1.00 0.66 C ATOM 750 OE1 GLU A 45 -7.797 -14.656 -2.504 1.00 -0.57 O ATOM 751 OE2 GLU A 45 -7.899 -14.219 -0.304 1.00 -0.65 O ATOM 0 H GLU A 45 -8.110 -10.151 -3.992 1.00 -0.73 H new ATOM 0 HA GLU A 45 -9.497 -12.651 -3.295 1.00 0.36 H new ATOM 0 HB2 GLU A 45 -8.033 -10.464 -1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.997 -11.684 -0.952 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.685 -12.395 -2.808 1.00 0.06 H new ATOM 0 HG3 GLU A 45 -6.470 -12.131 -1.089 1.00 0.06 H new ATOM 759 N ILE A 46 -10.683 -9.565 -3.005 1.00 -0.73 N ATOM 760 CA ILE A 46 -11.901 -8.785 -2.775 1.00 0.36 C ATOM 761 C ILE A 46 -12.430 -8.207 -4.084 1.00 0.57 C ATOM 762 O ILE A 46 -11.652 -7.631 -4.834 1.00 -0.57 O ATOM 763 CB ILE A 46 -11.690 -7.664 -1.731 1.00 0.00 C ATOM 764 CG1 ILE A 46 -10.419 -6.803 -1.904 1.00 0.00 C ATOM 765 CG2 ILE A 46 -11.750 -8.339 -0.366 1.00 0.00 C ATOM 766 CD1 ILE A 46 -10.351 -5.608 -0.940 1.00 0.00 C ATOM 0 H ILE A 46 -9.891 -9.006 -3.323 1.00 -0.73 H new ATOM 0 HA ILE A 46 -12.645 -9.469 -2.368 1.00 0.36 H new ATOM 0 HB ILE A 46 -12.477 -6.921 -1.863 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.541 -7.431 -1.753 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.376 -6.435 -2.929 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.607 -7.593 0.416 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.722 -8.816 -0.238 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.965 -9.092 -0.297 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.433 -5.049 -1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.210 -4.958 -1.106 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.362 -5.969 0.088 1.00 0.00 H new ATOM 778 N PRO A 47 -13.752 -8.251 -4.343 1.00 -0.66 N ATOM 779 CA PRO A 47 -14.365 -7.667 -5.537 1.00 0.36 C ATOM 780 C PRO A 47 -14.429 -6.127 -5.457 1.00 0.57 C ATOM 781 O PRO A 47 -15.381 -5.495 -5.919 1.00 -0.57 O ATOM 782 CB PRO A 47 -15.732 -8.352 -5.637 1.00 0.00 C ATOM 783 CG PRO A 47 -16.113 -8.649 -4.188 1.00 0.00 C ATOM 784 CD PRO A 47 -14.770 -8.841 -3.484 1.00 0.30 C ATOM 0 HA PRO A 47 -13.784 -7.838 -6.443 1.00 0.36 H new ATOM 0 HB2 PRO A 47 -16.467 -7.705 -6.117 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -15.677 -9.266 -6.229 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -16.680 -7.829 -3.748 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -16.734 -9.542 -4.114 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -14.775 -8.361 -2.506 1.00 0.30 H new ATOM 0 HD3 PRO A 47 -14.569 -9.899 -3.318 1.00 0.30 H new ATOM 792 N LEU A 48 -13.430 -5.504 -4.832 1.00 -0.73 N ATOM 793 CA LEU A 48 -13.288 -4.063 -4.733 1.00 0.36 C ATOM 794 C LEU A 48 -12.576 -3.615 -6.003 1.00 0.57 C ATOM 795 O LEU A 48 -11.586 -4.224 -6.409 1.00 -0.57 O ATOM 796 CB LEU A 48 -12.505 -3.742 -3.453 1.00 0.00 C ATOM 797 CG LEU A 48 -12.903 -2.395 -2.816 1.00 0.00 C ATOM 798 CD1 LEU A 48 -12.557 -2.459 -1.333 1.00 0.00 C ATOM 799 CD2 LEU A 48 -12.228 -1.186 -3.467 1.00 0.00 C ATOM 0 H LEU A 48 -12.676 -6.011 -4.368 1.00 -0.73 H new ATOM 0 HA LEU A 48 -14.238 -3.534 -4.660 1.00 0.36 H new ATOM 0 HB2 LEU A 48 -12.665 -4.540 -2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.439 -3.727 -3.681 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.972 -2.250 -2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -12.828 -1.518 -0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.108 -3.275 -0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.487 -2.630 -1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.555 -0.274 -2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.146 -1.281 -3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.502 -1.140 -4.521 1.00 0.00 H new ATOM 811 N HIS A 49 -13.114 -2.581 -6.643 1.00 -0.73 N ATOM 812 CA HIS A 49 -12.676 -2.088 -7.937 1.00 0.36 C ATOM 813 C HIS A 49 -12.135 -0.667 -7.758 1.00 0.57 C ATOM 814 O HIS A 49 -12.258 -0.064 -6.687 1.00 -0.57 O ATOM 815 CB HIS A 49 -13.851 -2.161 -8.930 1.00 0.17 C ATOM 816 CG HIS A 49 -14.252 -3.568 -9.322 1.00 0.18 C ATOM 817 ND1 HIS A 49 -14.794 -4.547 -8.513 1.00 -0.70 N ATOM 818 CD2 HIS A 49 -14.146 -4.115 -10.575 1.00 0.20 C ATOM 819 CE1 HIS A 49 -14.993 -5.644 -9.261 1.00 0.65 C ATOM 820 NE2 HIS A 49 -14.601 -5.439 -10.530 1.00 -0.70 N ATOM 0 H HIS A 49 -13.894 -2.048 -6.258 1.00 -0.73 H new ATOM 0 HA HIS A 49 -11.872 -2.700 -8.347 1.00 0.36 H new ATOM 0 HB2 HIS A 49 -14.713 -1.659 -8.491 1.00 0.17 H new ATOM 0 HB3 HIS A 49 -13.585 -1.608 -9.831 1.00 0.17 H new ATOM 0 HD1 HIS A 49 -15.006 -4.453 -7.520 1.00 -0.70 H new ATOM 0 HD2 HIS A 49 -13.773 -3.608 -11.453 1.00 0.20 H new ATOM 0 HE1 HIS A 49 -15.412 -6.568 -8.892 1.00 0.65 H new ATOM 829 N PHE A 50 -11.518 -0.112 -8.799 1.00 -0.73 N ATOM 830 CA PHE A 50 -10.793 1.143 -8.679 1.00 0.36 C ATOM 831 C PHE A 50 -11.024 1.965 -9.942 1.00 0.57 C ATOM 832 O PHE A 50 -11.335 1.416 -11.002 1.00 -0.57 O ATOM 833 CB PHE A 50 -9.290 0.911 -8.398 1.00 0.14 C ATOM 834 CG PHE A 50 -8.949 -0.266 -7.487 1.00 -0.14 C ATOM 835 CD1 PHE A 50 -9.006 -1.583 -7.988 1.00 -0.15 C ATOM 836 CD2 PHE A 50 -8.606 -0.062 -6.136 1.00 -0.15 C ATOM 837 CE1 PHE A 50 -8.797 -2.680 -7.135 1.00 -0.15 C ATOM 838 CE2 PHE A 50 -8.405 -1.161 -5.282 1.00 -0.15 C ATOM 839 CZ PHE A 50 -8.506 -2.471 -5.777 1.00 -0.15 C ATOM 0 H PHE A 50 -11.508 -0.516 -9.736 1.00 -0.73 H new ATOM 0 HA PHE A 50 -11.171 1.700 -7.822 1.00 0.36 H new ATOM 0 HB2 PHE A 50 -8.782 0.765 -9.351 1.00 0.14 H new ATOM 0 HB3 PHE A 50 -8.880 1.818 -7.954 1.00 0.14 H new ATOM 0 HD1 PHE A 50 -9.212 -1.750 -9.035 1.00 -0.15 H new ATOM 0 HD2 PHE A 50 -8.497 0.943 -5.755 1.00 -0.15 H new ATOM 0 HE1 PHE A 50 -8.860 -3.685 -7.524 1.00 -0.15 H new ATOM 0 HE2 PHE A 50 -8.172 -0.997 -4.240 1.00 -0.15 H new ATOM 0 HZ PHE A 50 -8.361 -3.313 -5.117 1.00 -0.15 H new ATOM 849 N ARG A 51 -10.873 3.284 -9.835 1.00 -0.73 N ATOM 850 CA ARG A 51 -11.053 4.218 -10.942 1.00 0.36 C ATOM 851 C ARG A 51 -10.021 5.329 -10.834 1.00 0.57 C ATOM 852 O ARG A 51 -9.265 5.395 -9.868 1.00 -0.57 O ATOM 853 CB ARG A 51 -12.500 4.766 -10.951 1.00 0.00 C ATOM 854 CG ARG A 51 -13.238 4.336 -12.229 1.00 0.00 C ATOM 855 CD ARG A 51 -14.759 4.514 -12.118 1.00 0.33 C ATOM 856 NE ARG A 51 -15.474 3.702 -13.123 1.00 -0.84 N ATOM 857 CZ ARG A 51 -15.701 4.014 -14.407 1.00 1.20 C ATOM 858 NH1 ARG A 51 -15.329 5.200 -14.891 1.00 -0.97 N ATOM 859 NH2 ARG A 51 -16.285 3.125 -15.212 1.00 -0.97 N ATOM 0 H ARG A 51 -10.617 3.741 -8.960 1.00 -0.73 H new ATOM 0 HA ARG A 51 -10.900 3.705 -11.891 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -13.037 4.402 -10.075 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -12.482 5.854 -10.884 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.868 4.919 -13.072 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -13.012 3.291 -12.441 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -15.088 4.230 -11.118 1.00 0.33 H new ATOM 0 HD3 ARG A 51 -15.014 5.566 -12.250 1.00 0.33 H new ATOM 0 HE ARG A 51 -15.836 2.803 -12.805 1.00 -0.84 H new ATOM 0 HH11 ARG A 51 -14.868 5.877 -14.283 1.00 -0.97 H new ATOM 0 HH12 ARG A 51 -15.505 5.430 -15.869 1.00 -0.97 H new ATOM 0 HH21 ARG A 51 -16.557 2.211 -14.850 1.00 -0.97 H new ATOM 0 HH22 ARG A 51 -16.459 3.359 -16.189 1.00 -0.97 H new ATOM 873 N LYS A 52 -10.004 6.216 -11.823 1.00 -0.73 N ATOM 874 CA LYS A 52 -9.095 7.341 -11.846 1.00 0.36 C ATOM 875 C LYS A 52 -9.915 8.612 -12.001 1.00 0.57 C ATOM 876 O LYS A 52 -11.101 8.573 -12.342 1.00 -0.57 O ATOM 877 CB LYS A 52 -8.069 7.167 -12.979 1.00 0.00 C ATOM 878 CG LYS A 52 -6.644 7.469 -12.492 1.00 0.00 C ATOM 879 CD LYS A 52 -5.686 7.650 -13.677 1.00 0.00 C ATOM 880 CE LYS A 52 -5.697 9.116 -14.136 1.00 0.50 C ATOM 881 NZ LYS A 52 -4.658 9.905 -13.445 1.00 -0.85 N ATOM 0 H LYS A 52 -10.625 6.169 -12.631 1.00 -0.73 H new ATOM 0 HA LYS A 52 -8.529 7.403 -10.916 1.00 0.36 H new ATOM 0 HB2 LYS A 52 -8.116 6.148 -13.362 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.321 7.830 -13.806 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.648 8.372 -11.881 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.293 6.656 -11.856 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.676 7.357 -13.388 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.983 7.000 -14.500 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.535 9.163 -15.213 1.00 0.50 H new ATOM 0 HE3 LYS A 52 -6.677 9.552 -13.942 1.00 0.50 H new ATOM 0 HZ1 LYS A 52 -4.692 10.890 -13.777 1.00 -0.85 H new ATOM 0 HZ2 LYS A 52 -4.828 9.879 -12.419 1.00 -0.85 H new ATOM 0 HZ3 LYS A 52 -3.722 9.502 -13.651 1.00 -0.85 H new ATOM 895 N VAL A 53 -9.249 9.730 -11.760 1.00 -0.73 N ATOM 896 CA VAL A 53 -9.793 11.065 -11.919 1.00 0.36 C ATOM 897 C VAL A 53 -9.318 11.647 -13.252 1.00 0.57 C ATOM 898 O VAL A 53 -8.275 11.244 -13.777 1.00 -0.57 O ATOM 899 CB VAL A 53 -9.349 11.941 -10.733 1.00 0.00 C ATOM 900 CG1 VAL A 53 -9.889 11.391 -9.409 1.00 0.00 C ATOM 901 CG2 VAL A 53 -7.815 12.049 -10.639 1.00 0.00 C ATOM 0 H VAL A 53 -8.281 9.731 -11.437 1.00 -0.73 H new ATOM 0 HA VAL A 53 -10.882 11.033 -11.929 1.00 0.36 H new ATOM 0 HB VAL A 53 -9.760 12.934 -10.913 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.560 12.029 -8.589 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.978 11.373 -9.440 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.513 10.379 -9.255 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.546 12.676 -9.789 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.388 11.055 -10.507 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.425 12.493 -11.555 1.00 0.00 H new ATOM 911 N VAL A 54 -10.058 12.636 -13.758 1.00 -0.73 N ATOM 912 CA VAL A 54 -9.693 13.376 -14.960 1.00 0.36 C ATOM 913 C VAL A 54 -8.482 14.284 -14.708 1.00 0.57 C ATOM 914 O VAL A 54 -7.595 14.341 -15.556 1.00 -0.57 O ATOM 915 CB VAL A 54 -10.939 14.139 -15.473 1.00 0.00 C ATOM 916 CG1 VAL A 54 -10.659 15.479 -16.167 1.00 0.00 C ATOM 917 CG2 VAL A 54 -11.702 13.227 -16.441 1.00 0.00 C ATOM 0 H VAL A 54 -10.935 12.946 -13.338 1.00 -0.73 H new ATOM 0 HA VAL A 54 -9.376 12.688 -15.744 1.00 0.36 H new ATOM 0 HB VAL A 54 -11.517 14.392 -14.584 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -11.600 15.927 -16.486 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.154 16.150 -15.472 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.023 15.313 -17.037 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -12.584 13.748 -16.813 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -11.056 12.964 -17.278 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -12.009 12.320 -15.921 1.00 0.00 H new ATOM 927 N TRP A 55 -8.429 14.970 -13.558 1.00 -0.73 N ATOM 928 CA TRP A 55 -7.411 15.987 -13.289 1.00 0.36 C ATOM 929 C TRP A 55 -6.586 15.553 -12.079 1.00 0.57 C ATOM 930 O TRP A 55 -5.416 15.168 -12.189 1.00 -0.57 O ATOM 931 CB TRP A 55 -8.097 17.362 -13.104 1.00 0.18 C ATOM 932 CG TRP A 55 -7.270 18.550 -13.497 1.00 -0.18 C ATOM 933 CD1 TRP A 55 -6.986 18.887 -14.773 1.00 -0.30 C ATOM 934 CD2 TRP A 55 -6.630 19.574 -12.666 1.00 0.00 C ATOM 935 NE1 TRP A 55 -6.202 20.018 -14.797 1.00 0.03 N ATOM 936 CE2 TRP A 55 -5.957 20.495 -13.530 1.00 -0.15 C ATOM 937 CE3 TRP A 55 -6.545 19.832 -11.279 1.00 -0.15 C ATOM 938 CZ2 TRP A 55 -5.241 21.604 -13.052 1.00 -0.15 C ATOM 939 CZ3 TRP A 55 -5.825 20.941 -10.788 1.00 -0.15 C ATOM 940 CH2 TRP A 55 -5.173 21.825 -11.667 1.00 -0.15 C ATOM 0 H TRP A 55 -9.089 14.834 -12.793 1.00 -0.73 H new ATOM 0 HA TRP A 55 -6.722 16.091 -14.127 1.00 0.36 H new ATOM 0 HB2 TRP A 55 -9.017 17.372 -13.688 1.00 0.18 H new ATOM 0 HB3 TRP A 55 -8.382 17.469 -12.057 1.00 0.18 H new ATOM 0 HD1 TRP A 55 -7.324 18.349 -15.646 1.00 -0.30 H new ATOM 0 HE1 TRP A 55 -5.846 20.450 -15.650 1.00 0.03 H new ATOM 0 HE3 TRP A 55 -7.039 19.169 -10.584 1.00 -0.15 H new ATOM 0 HZ2 TRP A 55 -4.750 22.277 -13.739 1.00 -0.15 H new ATOM 0 HZ3 TRP A 55 -5.774 21.114 -9.723 1.00 -0.15 H new ATOM 0 HH2 TRP A 55 -4.623 22.669 -11.278 1.00 -0.15 H new ATOM 951 N GLY A 56 -7.239 15.513 -10.918 1.00 -0.73 N ATOM 952 CA GLY A 56 -6.645 15.151 -9.656 1.00 0.36 C ATOM 953 C GLY A 56 -7.753 14.969 -8.633 1.00 0.57 C ATOM 954 O GLY A 56 -8.895 14.713 -9.022 1.00 -0.57 O ATOM 0 H GLY A 56 -8.230 15.742 -10.840 1.00 -0.73 H new ATOM 0 HA2 GLY A 56 -6.070 14.231 -9.759 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -5.951 15.925 -9.329 1.00 0.36 H new ATOM 958 N THR A 57 -7.378 15.117 -7.357 1.00 -0.73 N ATOM 959 CA THR A 57 -8.275 15.133 -6.199 1.00 0.36 C ATOM 960 C THR A 57 -9.063 13.819 -6.068 1.00 0.57 C ATOM 961 O THR A 57 -10.257 13.741 -6.361 1.00 -0.57 O ATOM 962 CB THR A 57 -9.090 16.452 -6.133 1.00 0.28 C ATOM 963 OG1 THR A 57 -9.934 16.671 -7.246 1.00 -0.68 O ATOM 964 CG2 THR A 57 -8.144 17.661 -6.072 1.00 0.00 C ATOM 0 H THR A 57 -6.399 15.234 -7.094 1.00 -0.73 H new ATOM 0 HA THR A 57 -7.686 15.154 -5.282 1.00 0.36 H new ATOM 0 HB THR A 57 -9.705 16.348 -5.239 1.00 0.28 H new ATOM 0 HG1 THR A 57 -10.300 15.815 -7.552 1.00 -0.68 H new ATOM 0 HG21 THR A 57 -8.730 18.579 -6.026 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.515 17.587 -5.185 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.515 17.676 -6.962 1.00 0.00 H new ATOM 972 N ALA A 58 -8.350 12.759 -5.652 1.00 -0.73 N ATOM 973 CA ALA A 58 -8.869 11.398 -5.572 1.00 0.36 C ATOM 974 C ALA A 58 -8.909 10.883 -4.131 1.00 0.57 C ATOM 975 O ALA A 58 -8.379 11.506 -3.205 1.00 -0.57 O ATOM 976 CB ALA A 58 -8.005 10.483 -6.438 1.00 0.00 C ATOM 0 H ALA A 58 -7.376 12.834 -5.357 1.00 -0.73 H new ATOM 0 HA ALA A 58 -9.896 11.401 -5.938 1.00 0.36 H new ATOM 0 HB1 ALA A 58 -8.387 9.463 -6.383 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.034 10.827 -7.472 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -6.977 10.505 -6.077 1.00 0.00 H new ATOM 982 N ASP A 59 -9.521 9.706 -3.969 1.00 -0.73 N ATOM 983 CA ASP A 59 -9.668 9.042 -2.685 1.00 0.36 C ATOM 984 C ASP A 59 -8.281 8.513 -2.251 1.00 0.57 C ATOM 985 O ASP A 59 -7.919 8.700 -1.094 1.00 -0.57 O ATOM 986 CB ASP A 59 -10.746 7.926 -2.746 1.00 0.06 C ATOM 987 CG ASP A 59 -12.146 8.304 -3.288 1.00 0.66 C ATOM 988 OD1 ASP A 59 -12.774 7.484 -3.937 1.00 -0.57 O ATOM 989 OD2 ASP A 59 -12.647 9.504 -3.009 1.00 -0.65 O ATOM 0 H ASP A 59 -9.932 9.185 -4.744 1.00 -0.73 H new ATOM 0 HA ASP A 59 -10.023 9.748 -1.934 1.00 0.36 H new ATOM 0 HB2 ASP A 59 -10.355 7.116 -3.363 1.00 0.06 H new ATOM 0 HB3 ASP A 59 -10.873 7.527 -1.739 1.00 0.06 H new ATOM 995 N ILE A 60 -7.468 7.978 -3.183 1.00 -0.73 N ATOM 996 CA ILE A 60 -6.115 7.441 -2.963 1.00 0.36 C ATOM 997 C ILE A 60 -5.115 8.271 -3.791 1.00 0.57 C ATOM 998 O ILE A 60 -4.758 7.943 -4.924 1.00 -0.57 O ATOM 999 CB ILE A 60 -6.062 5.928 -3.310 1.00 0.00 C ATOM 1000 CG1 ILE A 60 -7.032 5.083 -2.455 1.00 0.00 C ATOM 1001 CG2 ILE A 60 -4.641 5.335 -3.170 1.00 0.00 C ATOM 1002 CD1 ILE A 60 -7.428 3.778 -3.155 1.00 0.00 C ATOM 0 H ILE A 60 -7.754 7.906 -4.159 1.00 -0.73 H new ATOM 0 HA ILE A 60 -5.842 7.523 -1.911 1.00 0.36 H new ATOM 0 HB ILE A 60 -6.371 5.876 -4.354 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.565 4.853 -1.497 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.928 5.666 -2.241 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.662 4.275 -3.425 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.961 5.856 -3.844 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.296 5.455 -2.143 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.111 3.216 -2.518 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.920 4.007 -4.100 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.536 3.182 -3.345 1.00 0.00 H new ATOM 1014 N MET A 61 -4.673 9.398 -3.246 1.00 -0.73 N ATOM 1015 CA MET A 61 -3.584 10.194 -3.779 1.00 0.36 C ATOM 1016 C MET A 61 -2.263 9.497 -3.438 1.00 0.57 C ATOM 1017 O MET A 61 -1.989 9.241 -2.267 1.00 -0.57 O ATOM 1018 CB MET A 61 -3.674 11.622 -3.218 1.00 0.00 C ATOM 1019 CG MET A 61 -2.539 12.541 -3.663 1.00 0.23 C ATOM 1020 SD MET A 61 -1.305 12.900 -2.372 1.00 -0.46 S ATOM 1021 CE MET A 61 -1.656 14.659 -2.088 1.00 0.23 C ATOM 0 H MET A 61 -5.077 9.791 -2.396 1.00 -0.73 H new ATOM 0 HA MET A 61 -3.644 10.279 -4.864 1.00 0.36 H new ATOM 0 HB2 MET A 61 -4.624 12.061 -3.524 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.681 11.573 -2.129 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.033 12.086 -4.515 1.00 0.23 H new ATOM 0 HG3 MET A 61 -2.966 13.482 -4.011 1.00 0.23 H new ATOM 0 HE1 MET A 61 -0.962 15.053 -1.346 1.00 0.23 H new ATOM 0 HE2 MET A 61 -1.539 15.209 -3.022 1.00 0.23 H new ATOM 0 HE3 MET A 61 -2.678 14.772 -1.726 1.00 0.23 H new ATOM 1031 N ILE A 62 -1.444 9.213 -4.454 1.00 -0.73 N ATOM 1032 CA ILE A 62 -0.103 8.655 -4.286 1.00 0.36 C ATOM 1033 C ILE A 62 0.874 9.769 -4.659 1.00 0.57 C ATOM 1034 O ILE A 62 0.760 10.359 -5.735 1.00 -0.57 O ATOM 1035 CB ILE A 62 0.094 7.379 -5.141 1.00 0.00 C ATOM 1036 CG1 ILE A 62 -0.905 6.253 -4.766 1.00 0.00 C ATOM 1037 CG2 ILE A 62 1.531 6.845 -4.998 1.00 0.00 C ATOM 1038 CD1 ILE A 62 -1.927 5.998 -5.879 1.00 0.00 C ATOM 0 H ILE A 62 -1.699 9.367 -5.430 1.00 -0.73 H new ATOM 0 HA ILE A 62 0.067 8.332 -3.259 1.00 0.36 H new ATOM 0 HB ILE A 62 -0.095 7.669 -6.175 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.355 5.334 -4.561 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.428 6.523 -3.849 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.648 5.948 -5.607 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.237 7.605 -5.332 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.727 6.603 -3.953 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.606 5.202 -5.574 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.496 6.909 -6.066 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.407 5.701 -6.790 1.00 0.00 H new ATOM 1050 N GLY A 63 1.834 10.063 -3.782 1.00 -0.73 N ATOM 1051 CA GLY A 63 2.833 11.090 -4.036 1.00 0.36 C ATOM 1052 C GLY A 63 4.193 10.710 -3.467 1.00 0.57 C ATOM 1053 O GLY A 63 4.300 9.812 -2.639 1.00 -0.57 O ATOM 0 H GLY A 63 1.937 9.596 -2.881 1.00 -0.73 H new ATOM 0 HA2 GLY A 63 2.921 11.253 -5.110 1.00 0.36 H new ATOM 0 HA3 GLY A 63 2.506 12.032 -3.596 1.00 0.36 H new ATOM 1057 N PHE A 64 5.235 11.414 -3.902 1.00 -0.73 N ATOM 1058 CA PHE A 64 6.607 11.129 -3.518 1.00 0.36 C ATOM 1059 C PHE A 64 7.304 12.444 -3.193 1.00 0.57 C ATOM 1060 O PHE A 64 6.949 13.483 -3.767 1.00 -0.57 O ATOM 1061 CB PHE A 64 7.375 10.386 -4.628 1.00 0.14 C ATOM 1062 CG PHE A 64 6.754 9.096 -5.135 1.00 -0.14 C ATOM 1063 CD1 PHE A 64 5.571 9.136 -5.890 1.00 -0.15 C ATOM 1064 CD2 PHE A 64 7.348 7.853 -4.857 1.00 -0.15 C ATOM 1065 CE1 PHE A 64 4.946 7.956 -6.319 1.00 -0.15 C ATOM 1066 CE2 PHE A 64 6.712 6.666 -5.257 1.00 -0.15 C ATOM 1067 CZ PHE A 64 5.510 6.715 -5.988 1.00 -0.15 C ATOM 0 H PHE A 64 5.145 12.206 -4.538 1.00 -0.73 H new ATOM 0 HA PHE A 64 6.594 10.476 -2.645 1.00 0.36 H new ATOM 0 HB2 PHE A 64 7.492 11.064 -5.474 1.00 0.14 H new ATOM 0 HB3 PHE A 64 8.375 10.161 -4.259 1.00 0.14 H new ATOM 0 HD1 PHE A 64 5.135 10.091 -6.145 1.00 -0.15 H new ATOM 0 HD2 PHE A 64 8.293 7.810 -4.336 1.00 -0.15 H new ATOM 0 HE1 PHE A 64 4.037 8.002 -6.900 1.00 -0.15 H new ATOM 0 HE2 PHE A 64 7.147 5.711 -5.002 1.00 -0.15 H new ATOM 0 HZ PHE A 64 5.024 5.800 -6.293 1.00 -0.15 H new ATOM 1077 N ALA A 65 8.286 12.377 -2.289 1.00 -0.73 N ATOM 1078 CA ALA A 65 9.076 13.514 -1.835 1.00 0.36 C ATOM 1079 C ALA A 65 10.519 13.091 -1.574 1.00 0.57 C ATOM 1080 O ALA A 65 10.778 11.931 -1.276 1.00 -0.57 O ATOM 1081 CB ALA A 65 8.482 14.027 -0.526 1.00 0.00 C ATOM 0 H ALA A 65 8.557 11.501 -1.842 1.00 -0.73 H new ATOM 0 HA ALA A 65 9.061 14.287 -2.603 1.00 0.36 H new ATOM 0 HB1 ALA A 65 9.062 14.879 -0.172 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.449 14.335 -0.691 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.509 13.234 0.221 1.00 0.00 H new ATOM 1087 N ARG A 66 11.448 14.045 -1.602 1.00 -0.73 N ATOM 1088 CA ARG A 66 12.884 13.813 -1.406 1.00 0.36 C ATOM 1089 C ARG A 66 13.382 14.202 0.001 1.00 0.57 C ATOM 1090 O ARG A 66 14.554 14.022 0.340 1.00 -0.57 O ATOM 1091 CB ARG A 66 13.611 14.569 -2.528 1.00 0.00 C ATOM 1092 CG ARG A 66 13.446 16.097 -2.417 1.00 0.00 C ATOM 1093 CD ARG A 66 14.657 16.755 -1.759 1.00 0.33 C ATOM 1094 NE ARG A 66 14.268 17.716 -0.717 1.00 -0.84 N ATOM 1095 CZ ARG A 66 15.022 18.742 -0.313 1.00 1.20 C ATOM 1096 NH1 ARG A 66 16.168 19.042 -0.933 1.00 -0.97 N ATOM 1097 NH2 ARG A 66 14.612 19.458 0.732 1.00 -0.97 N ATOM 0 H ARG A 66 11.221 15.026 -1.765 1.00 -0.73 H new ATOM 0 HA ARG A 66 13.099 12.746 -1.463 1.00 0.36 H new ATOM 0 HB2 ARG A 66 14.672 14.319 -2.501 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.229 14.235 -3.493 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.299 16.519 -3.411 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.551 16.324 -1.839 1.00 0.00 H new ATOM 0 HD2 ARG A 66 15.294 15.986 -1.322 1.00 0.33 H new ATOM 0 HD3 ARG A 66 15.249 17.265 -2.519 1.00 0.33 H new ATOM 0 HE ARG A 66 13.359 17.591 -0.271 1.00 -0.84 H new ATOM 0 HH11 ARG A 66 16.479 18.484 -1.728 1.00 -0.97 H new ATOM 0 HH12 ARG A 66 16.731 19.829 -0.611 1.00 -0.97 H new ATOM 0 HH21 ARG A 66 13.740 19.218 1.204 1.00 -0.97 H new ATOM 0 HH22 ARG A 66 15.170 20.246 1.060 1.00 -0.97 H new ATOM 1111 N GLY A 67 12.506 14.789 0.816 1.00 -0.73 N ATOM 1112 CA GLY A 67 12.839 15.275 2.144 1.00 0.36 C ATOM 1113 C GLY A 67 12.005 16.511 2.423 1.00 0.57 C ATOM 1114 O GLY A 67 12.291 17.565 1.842 1.00 -0.57 O ATOM 0 H GLY A 67 11.530 14.940 0.562 1.00 -0.73 H new ATOM 0 HA2 GLY A 67 12.640 14.506 2.891 1.00 0.36 H new ATOM 0 HA3 GLY A 67 13.901 15.512 2.206 1.00 0.36 H new ATOM 1118 N ALA A 68 11.005 16.327 3.302 1.00 -0.73 N ATOM 1119 CA ALA A 68 9.942 17.250 3.694 1.00 0.36 C ATOM 1120 C ALA A 68 8.969 17.560 2.543 1.00 0.57 C ATOM 1121 O ALA A 68 9.374 17.989 1.467 1.00 -0.57 O ATOM 1122 CB ALA A 68 10.524 18.508 4.349 1.00 0.00 C ATOM 0 H ALA A 68 10.918 15.441 3.800 1.00 -0.73 H new ATOM 0 HA ALA A 68 9.334 16.750 4.448 1.00 0.36 H new ATOM 0 HB1 ALA A 68 9.713 19.179 4.632 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.089 18.227 5.238 1.00 0.00 H new ATOM 0 HB3 ALA A 68 11.184 19.013 3.644 1.00 0.00 H new ATOM 1128 N HIS A 69 7.670 17.360 2.793 1.00 -0.73 N ATOM 1129 CA HIS A 69 6.591 17.602 1.837 1.00 0.36 C ATOM 1130 C HIS A 69 5.421 18.317 2.506 1.00 0.57 C ATOM 1131 O HIS A 69 5.315 18.345 3.734 1.00 -0.57 O ATOM 1132 CB HIS A 69 6.132 16.295 1.163 1.00 0.17 C ATOM 1133 CG HIS A 69 5.755 15.117 2.040 1.00 0.18 C ATOM 1134 ND1 HIS A 69 5.588 15.078 3.403 1.00 -0.70 N flip ATOM 1135 CD2 HIS A 69 5.503 13.842 1.582 1.00 0.20 C flip ATOM 1136 CE1 HIS A 69 5.260 13.773 3.773 1.00 0.65 C flip ATOM 1137 NE2 HIS A 69 5.215 13.070 2.642 1.00 -0.70 N flip ATOM 0 H HIS A 69 7.334 17.016 3.692 1.00 -0.73 H new ATOM 0 HA HIS A 69 6.981 18.253 1.055 1.00 0.36 H new ATOM 0 HB2 HIS A 69 5.271 16.530 0.538 1.00 0.17 H new ATOM 0 HB3 HIS A 69 6.930 15.969 0.496 1.00 0.17 H new ATOM 0 HD1 HIS A 69 5.687 15.870 4.038 1.00 -0.70 H new ATOM 0 HD2 HIS A 69 5.532 13.520 0.551 1.00 0.20 H new ATOM 0 HE1 HIS A 69 5.079 13.407 4.773 1.00 0.65 H new ATOM 1146 N GLY A 70 4.541 18.889 1.679 1.00 -0.73 N ATOM 1147 CA GLY A 70 3.285 19.493 2.102 1.00 0.36 C ATOM 1148 C GLY A 70 2.281 18.410 2.488 1.00 0.57 C ATOM 1149 O GLY A 70 1.393 18.078 1.709 1.00 -0.57 O ATOM 0 H GLY A 70 4.691 18.943 0.672 1.00 -0.73 H new ATOM 0 HA2 GLY A 70 3.459 20.156 2.950 1.00 0.36 H new ATOM 0 HA3 GLY A 70 2.879 20.105 1.297 1.00 0.36 H new ATOM 1153 N ASP A 71 2.463 17.830 3.674 1.00 -0.73 N ATOM 1154 CA ASP A 71 1.612 16.790 4.242 1.00 0.36 C ATOM 1155 C ASP A 71 1.316 17.096 5.721 1.00 0.57 C ATOM 1156 O ASP A 71 1.843 18.069 6.268 1.00 -0.57 O ATOM 1157 CB ASP A 71 2.340 15.446 4.084 1.00 0.06 C ATOM 1158 CG ASP A 71 1.525 14.285 4.634 1.00 0.66 C ATOM 1159 OD1 ASP A 71 0.337 14.255 4.357 1.00 -0.57 O ATOM 1160 OD2 ASP A 71 2.142 13.407 5.420 1.00 -0.65 O ATOM 0 H ASP A 71 3.238 18.083 4.287 1.00 -0.73 H new ATOM 0 HA ASP A 71 0.654 16.749 3.723 1.00 0.36 H new ATOM 0 HB2 ASP A 71 2.553 15.271 3.029 1.00 0.06 H new ATOM 0 HB3 ASP A 71 3.299 15.491 4.599 1.00 0.06 H new ATOM 1166 N SER A 72 0.500 16.255 6.379 1.00 -0.73 N ATOM 1167 CA SER A 72 0.308 16.259 7.827 1.00 0.36 C ATOM 1168 C SER A 72 1.637 16.357 8.583 1.00 0.57 C ATOM 1169 O SER A 72 1.717 17.166 9.508 1.00 -0.57 O ATOM 1170 CB SER A 72 -0.466 15.007 8.286 1.00 0.28 C ATOM 1171 OG SER A 72 -1.759 15.363 8.746 1.00 -0.68 O ATOM 0 H SER A 72 -0.053 15.542 5.903 1.00 -0.73 H new ATOM 0 HA SER A 72 -0.279 17.146 8.064 1.00 0.36 H new ATOM 0 HB2 SER A 72 -0.549 14.301 7.460 1.00 0.28 H new ATOM 0 HB3 SER A 72 0.084 14.504 9.082 1.00 0.28 H new ATOM 0 HG SER A 72 -2.238 14.557 9.032 1.00 -0.68 H new ATOM 1177 N TYR A 73 2.664 15.591 8.175 1.00 -0.73 N ATOM 1178 CA TYR A 73 3.973 15.566 8.823 1.00 0.36 C ATOM 1179 C TYR A 73 5.065 15.513 7.758 1.00 0.57 C ATOM 1180 O TYR A 73 4.857 14.869 6.733 1.00 -0.57 O ATOM 1181 CB TYR A 73 4.097 14.334 9.736 1.00 0.14 C ATOM 1182 CG TYR A 73 3.038 14.261 10.816 1.00 -0.14 C ATOM 1183 CD1 TYR A 73 2.902 15.324 11.730 1.00 -0.15 C ATOM 1184 CD2 TYR A 73 2.150 13.170 10.872 1.00 -0.15 C ATOM 1185 CE1 TYR A 73 1.860 15.321 12.669 1.00 -0.15 C ATOM 1186 CE2 TYR A 73 1.104 13.159 11.814 1.00 -0.15 C ATOM 1187 CZ TYR A 73 0.948 14.246 12.708 1.00 0.08 C ATOM 1188 OH TYR A 73 -0.092 14.289 13.588 1.00 -0.53 O ATOM 0 H TYR A 73 2.600 14.965 7.373 1.00 -0.73 H new ATOM 0 HA TYR A 73 4.083 16.467 9.426 1.00 0.36 H new ATOM 0 HB2 TYR A 73 4.041 13.434 9.124 1.00 0.14 H new ATOM 0 HB3 TYR A 73 5.081 14.339 10.205 1.00 0.14 H new ATOM 0 HD1 TYR A 73 3.603 16.145 11.708 1.00 -0.15 H new ATOM 0 HD2 TYR A 73 2.271 12.340 10.191 1.00 -0.15 H new ATOM 0 HE1 TYR A 73 1.756 16.142 13.362 1.00 -0.15 H new ATOM 0 HE2 TYR A 73 0.422 12.323 11.855 1.00 -0.15 H new ATOM 0 HH TYR A 73 -0.633 13.477 13.495 1.00 -0.53 H new ATOM 1198 N PRO A 74 6.232 16.140 7.979 1.00 -0.66 N ATOM 1199 CA PRO A 74 7.346 16.000 7.062 1.00 0.36 C ATOM 1200 C PRO A 74 7.886 14.564 7.096 1.00 0.57 C ATOM 1201 O PRO A 74 7.895 13.889 8.133 1.00 -0.57 O ATOM 1202 CB PRO A 74 8.379 17.047 7.486 1.00 0.00 C ATOM 1203 CG PRO A 74 8.044 17.386 8.940 1.00 0.00 C ATOM 1204 CD PRO A 74 6.602 16.924 9.148 1.00 0.30 C ATOM 0 HA PRO A 74 7.059 16.173 6.025 1.00 0.36 H new ATOM 0 HB2 PRO A 74 9.393 16.656 7.398 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.322 17.933 6.853 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.721 16.878 9.627 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.144 18.455 9.126 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.516 16.327 10.056 1.00 0.30 H new ATOM 0 HD3 PRO A 74 5.936 17.779 9.265 1.00 0.30 H new ATOM 1212 N PHE A 75 8.363 14.122 5.932 1.00 -0.73 N ATOM 1213 CA PHE A 75 9.229 12.966 5.796 1.00 0.36 C ATOM 1214 C PHE A 75 10.610 13.223 6.418 1.00 0.57 C ATOM 1215 O PHE A 75 10.925 14.300 6.927 1.00 -0.57 O ATOM 1216 CB PHE A 75 9.352 12.585 4.303 1.00 0.14 C ATOM 1217 CG PHE A 75 8.495 11.419 3.854 1.00 -0.14 C ATOM 1218 CD1 PHE A 75 8.440 10.209 4.577 1.00 -0.15 C ATOM 1219 CD2 PHE A 75 7.820 11.523 2.631 1.00 -0.15 C ATOM 1220 CE1 PHE A 75 7.642 9.147 4.114 1.00 -0.15 C ATOM 1221 CE2 PHE A 75 7.038 10.463 2.160 1.00 -0.15 C ATOM 1222 CZ PHE A 75 6.925 9.290 2.917 1.00 -0.15 C ATOM 0 H PHE A 75 8.149 14.572 5.042 1.00 -0.73 H new ATOM 0 HA PHE A 75 8.785 12.132 6.339 1.00 0.36 H new ATOM 0 HB2 PHE A 75 9.093 13.456 3.701 1.00 0.14 H new ATOM 0 HB3 PHE A 75 10.395 12.350 4.091 1.00 0.14 H new ATOM 0 HD1 PHE A 75 9.011 10.098 5.487 1.00 -0.15 H new ATOM 0 HD2 PHE A 75 7.904 12.428 2.048 1.00 -0.15 H new ATOM 0 HE1 PHE A 75 7.582 8.227 4.677 1.00 -0.15 H new ATOM 0 HE2 PHE A 75 6.523 10.549 1.215 1.00 -0.15 H new ATOM 0 HZ PHE A 75 6.282 8.491 2.577 1.00 -0.15 H new ATOM 1232 N ASP A 76 11.440 12.197 6.295 1.00 -0.73 N ATOM 1233 CA ASP A 76 12.763 11.966 6.847 1.00 0.36 C ATOM 1234 C ASP A 76 13.783 11.843 5.695 1.00 0.57 C ATOM 1235 O ASP A 76 14.909 12.322 5.840 1.00 -0.57 O ATOM 1236 CB ASP A 76 12.681 10.622 7.614 1.00 0.06 C ATOM 1237 CG ASP A 76 12.090 9.448 6.810 1.00 0.66 C ATOM 1238 OD1 ASP A 76 11.537 9.664 5.744 1.00 -0.57 O ATOM 1239 OD2 ASP A 76 12.172 8.211 7.292 1.00 -0.65 O ATOM 0 H ASP A 76 11.158 11.399 5.726 1.00 -0.73 H new ATOM 0 HA ASP A 76 13.077 12.781 7.500 1.00 0.36 H new ATOM 0 HB2 ASP A 76 13.683 10.348 7.945 1.00 0.06 H new ATOM 0 HB3 ASP A 76 12.078 10.769 8.510 1.00 0.06 H new ATOM 1245 N GLY A 77 13.412 11.262 4.542 1.00 -0.73 N ATOM 1246 CA GLY A 77 14.310 11.058 3.415 1.00 0.36 C ATOM 1247 C GLY A 77 15.007 9.690 3.516 1.00 0.57 C ATOM 1248 O GLY A 77 14.348 8.721 3.883 1.00 -0.57 O ATOM 0 H GLY A 77 12.466 10.920 4.374 1.00 -0.73 H new ATOM 0 HA2 GLY A 77 13.750 11.118 2.482 1.00 0.36 H new ATOM 0 HA3 GLY A 77 15.057 11.851 3.390 1.00 0.36 H new ATOM 1252 N PRO A 78 16.305 9.578 3.167 1.00 -0.66 N ATOM 1253 CA PRO A 78 17.034 8.316 3.051 1.00 0.36 C ATOM 1254 C PRO A 78 17.366 7.696 4.423 1.00 0.57 C ATOM 1255 O PRO A 78 18.448 7.930 4.971 1.00 -0.57 O ATOM 1256 CB PRO A 78 18.277 8.649 2.216 1.00 0.00 C ATOM 1257 CG PRO A 78 18.549 10.125 2.506 1.00 0.00 C ATOM 1258 CD PRO A 78 17.178 10.700 2.849 1.00 0.30 C ATOM 0 HA PRO A 78 16.434 7.545 2.568 1.00 0.36 H new ATOM 0 HB2 PRO A 78 19.125 8.026 2.501 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.099 8.479 1.154 1.00 0.00 H new ATOM 0 HG2 PRO A 78 19.249 10.246 3.333 1.00 0.00 H new ATOM 0 HG3 PRO A 78 18.986 10.626 1.642 1.00 0.00 H new ATOM 0 HD2 PRO A 78 17.249 11.384 3.695 1.00 0.30 H new ATOM 0 HD3 PRO A 78 16.780 11.271 2.010 1.00 0.30 H new ATOM 1266 N GLY A 79 16.443 6.903 4.980 1.00 -0.73 N ATOM 1267 CA GLY A 79 16.556 6.204 6.260 1.00 0.36 C ATOM 1268 C GLY A 79 15.213 6.262 6.996 1.00 0.57 C ATOM 1269 O GLY A 79 14.346 7.001 6.560 1.00 -0.57 O ATOM 0 H GLY A 79 15.549 6.724 4.522 1.00 -0.73 H new ATOM 0 HA2 GLY A 79 16.848 5.167 6.095 1.00 0.36 H new ATOM 0 HA3 GLY A 79 17.336 6.662 6.868 1.00 0.36 H new ATOM 1273 N ASN A 80 15.048 5.553 8.127 1.00 -0.73 N ATOM 1274 CA ASN A 80 13.778 5.423 8.878 1.00 0.36 C ATOM 1275 C ASN A 80 12.590 5.053 7.946 1.00 0.57 C ATOM 1276 O ASN A 80 12.822 4.361 6.961 1.00 -0.57 O ATOM 1277 CB ASN A 80 13.584 6.654 9.797 1.00 0.06 C ATOM 1278 CG ASN A 80 12.602 6.428 10.948 1.00 0.57 C ATOM 1279 OD1 ASN A 80 11.469 7.120 10.949 1.00 -0.57 O flip ATOM 1280 ND2 ASN A 80 12.848 5.644 11.861 1.00 -0.80 N flip ATOM 0 H ASN A 80 15.815 5.038 8.560 1.00 -0.73 H new ATOM 0 HA ASN A 80 13.820 4.571 9.556 1.00 0.36 H new ATOM 0 HB2 ASN A 80 14.551 6.941 10.210 1.00 0.06 H new ATOM 0 HB3 ASN A 80 13.234 7.492 9.194 1.00 0.06 H new ATOM 0 HD21 ASN A 80 13.719 5.114 11.857 1.00 -0.80 H new ATOM 0 HD22 ASN A 80 12.181 5.523 12.623 1.00 -0.80 H new ATOM 1287 N THR A 81 11.331 5.393 8.275 1.00 -0.73 N ATOM 1288 CA THR A 81 10.092 5.103 7.526 1.00 0.36 C ATOM 1289 C THR A 81 10.198 5.459 6.030 1.00 0.57 C ATOM 1290 O THR A 81 10.481 6.597 5.713 1.00 -0.57 O ATOM 1291 CB THR A 81 8.985 5.962 8.177 1.00 0.28 C ATOM 1292 OG1 THR A 81 8.916 5.697 9.567 1.00 -0.68 O ATOM 1293 CG2 THR A 81 7.579 5.782 7.600 1.00 0.00 C ATOM 0 H THR A 81 11.137 5.914 9.130 1.00 -0.73 H new ATOM 0 HA THR A 81 9.884 4.034 7.572 1.00 0.36 H new ATOM 0 HB THR A 81 9.284 6.987 7.959 1.00 0.28 H new ATOM 0 HG1 THR A 81 8.213 6.248 9.970 1.00 -0.68 H new ATOM 0 HG21 THR A 81 6.882 6.431 8.130 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.584 6.042 6.542 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.268 4.744 7.717 1.00 0.00 H new ATOM 1301 N LEU A 82 9.908 4.544 5.098 1.00 -0.73 N ATOM 1302 CA LEU A 82 10.101 4.716 3.655 1.00 0.36 C ATOM 1303 C LEU A 82 8.852 5.246 2.929 1.00 0.57 C ATOM 1304 O LEU A 82 8.959 5.864 1.866 1.00 -0.57 O ATOM 1305 CB LEU A 82 10.469 3.362 3.023 1.00 0.00 C ATOM 1306 CG LEU A 82 11.795 2.728 3.495 1.00 0.00 C ATOM 1307 CD1 LEU A 82 11.775 2.061 4.878 1.00 0.00 C ATOM 1308 CD2 LEU A 82 12.154 1.616 2.518 1.00 0.00 C ATOM 0 H LEU A 82 9.519 3.632 5.337 1.00 -0.73 H new ATOM 0 HA LEU A 82 10.896 5.453 3.540 1.00 0.36 H new ATOM 0 HB2 LEU A 82 9.662 2.658 3.226 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.516 3.490 1.942 1.00 0.00 H new ATOM 0 HG LEU A 82 12.497 3.560 3.546 1.00 0.00 H new ATOM 0 HD11 LEU A 82 12.761 1.653 5.099 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.510 2.800 5.634 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.040 1.256 4.883 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.089 1.148 2.827 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.360 0.869 2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.270 2.034 1.518 1.00 0.00 H new ATOM 1320 N ALA A 83 7.659 4.968 3.470 1.00 -0.73 N ATOM 1321 CA ALA A 83 6.383 5.431 2.945 1.00 0.36 C ATOM 1322 C ALA A 83 5.368 5.444 4.089 1.00 0.57 C ATOM 1323 O ALA A 83 5.593 4.815 5.125 1.00 -0.57 O ATOM 1324 CB ALA A 83 5.927 4.545 1.779 1.00 0.00 C ATOM 0 H ALA A 83 7.560 4.397 4.310 1.00 -0.73 H new ATOM 0 HA ALA A 83 6.479 6.442 2.548 1.00 0.36 H new ATOM 0 HB1 ALA A 83 4.971 4.906 1.399 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.670 4.580 0.983 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.815 3.518 2.125 1.00 0.00 H new ATOM 1330 N HIS A 84 4.263 6.169 3.925 1.00 -0.73 N ATOM 1331 CA HIS A 84 3.168 6.162 4.890 1.00 0.36 C ATOM 1332 C HIS A 84 1.837 6.370 4.172 1.00 0.57 C ATOM 1333 O HIS A 84 1.815 6.853 3.037 1.00 -0.57 O ATOM 1334 CB HIS A 84 3.418 7.189 6.019 1.00 0.17 C ATOM 1335 CG HIS A 84 3.621 8.646 5.639 1.00 0.18 C ATOM 1336 ND1 HIS A 84 4.016 9.654 6.498 1.00 -0.70 N ATOM 1337 CD2 HIS A 84 3.449 9.236 4.415 1.00 0.20 C ATOM 1338 CE1 HIS A 84 4.078 10.805 5.805 1.00 0.65 C ATOM 1339 NE2 HIS A 84 3.748 10.595 4.522 1.00 -0.70 N ATOM 0 H HIS A 84 4.103 6.776 3.121 1.00 -0.73 H new ATOM 0 HA HIS A 84 3.120 5.188 5.376 1.00 0.36 H new ATOM 0 HB2 HIS A 84 2.573 7.140 6.706 1.00 0.17 H new ATOM 0 HB3 HIS A 84 4.299 6.865 6.574 1.00 0.17 H new ATOM 0 HD1 HIS A 84 4.225 9.544 7.490 1.00 -0.70 H new ATOM 0 HD2 HIS A 84 3.133 8.732 3.514 1.00 0.20 H new ATOM 0 HE1 HIS A 84 4.354 11.762 6.222 1.00 0.65 H new ATOM 1348 N ALA A 85 0.731 6.050 4.853 1.00 -0.73 N ATOM 1349 CA ALA A 85 -0.618 6.177 4.328 1.00 0.36 C ATOM 1350 C ALA A 85 -1.599 6.515 5.452 1.00 0.57 C ATOM 1351 O ALA A 85 -1.303 6.317 6.638 1.00 -0.57 O ATOM 1352 CB ALA A 85 -1.020 4.868 3.633 1.00 0.00 C ATOM 0 H ALA A 85 0.758 5.688 5.806 1.00 -0.73 H new ATOM 0 HA ALA A 85 -0.647 6.989 3.601 1.00 0.36 H new ATOM 0 HB1 ALA A 85 -2.032 4.961 3.238 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -0.329 4.663 2.815 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.985 4.049 4.351 1.00 0.00 H new ATOM 1358 N PHE A 86 -2.783 6.995 5.062 1.00 -0.73 N ATOM 1359 CA PHE A 86 -3.836 7.418 5.977 1.00 0.36 C ATOM 1360 C PHE A 86 -5.071 6.537 5.820 1.00 0.57 C ATOM 1361 O PHE A 86 -5.237 5.838 4.821 1.00 -0.57 O ATOM 1362 CB PHE A 86 -4.176 8.889 5.723 1.00 0.14 C ATOM 1363 CG PHE A 86 -2.967 9.801 5.748 1.00 -0.14 C ATOM 1364 CD1 PHE A 86 -2.223 9.961 6.933 1.00 -0.15 C ATOM 1365 CD2 PHE A 86 -2.543 10.438 4.569 1.00 -0.15 C ATOM 1366 CE1 PHE A 86 -1.063 10.755 6.930 1.00 -0.15 C ATOM 1367 CE2 PHE A 86 -1.391 11.234 4.565 1.00 -0.15 C ATOM 1368 CZ PHE A 86 -0.649 11.386 5.747 1.00 -0.15 C ATOM 0 H PHE A 86 -3.037 7.101 4.080 1.00 -0.73 H new ATOM 0 HA PHE A 86 -3.482 7.312 7.002 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -4.668 8.978 4.755 1.00 0.14 H new ATOM 0 HB3 PHE A 86 -4.890 9.224 6.476 1.00 0.14 H new ATOM 0 HD1 PHE A 86 -2.543 9.474 7.843 1.00 -0.15 H new ATOM 0 HD2 PHE A 86 -3.110 10.312 3.659 1.00 -0.15 H new ATOM 0 HE1 PHE A 86 -0.491 10.879 7.838 1.00 -0.15 H new ATOM 0 HE2 PHE A 86 -1.075 11.728 3.658 1.00 -0.15 H new ATOM 0 HZ PHE A 86 0.245 11.992 5.746 1.00 -0.15 H new ATOM 1378 N ALA A 87 -5.949 6.562 6.825 1.00 -0.73 N ATOM 1379 CA ALA A 87 -7.131 5.716 6.858 1.00 0.36 C ATOM 1380 C ALA A 87 -8.244 6.366 6.033 1.00 0.57 C ATOM 1381 O ALA A 87 -8.361 7.589 6.076 1.00 -0.57 O ATOM 1382 CB ALA A 87 -7.572 5.549 8.314 1.00 0.00 C ATOM 0 H ALA A 87 -5.855 7.172 7.637 1.00 -0.73 H new ATOM 0 HA ALA A 87 -6.910 4.737 6.433 1.00 0.36 H new ATOM 0 HB1 ALA A 87 -8.459 4.916 8.355 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.769 5.086 8.887 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.803 6.526 8.738 1.00 0.00 H new ATOM 1388 N PRO A 88 -9.068 5.601 5.296 1.00 -0.66 N ATOM 1389 CA PRO A 88 -10.192 6.174 4.569 1.00 0.36 C ATOM 1390 C PRO A 88 -11.242 6.732 5.537 1.00 0.57 C ATOM 1391 O PRO A 88 -11.307 6.309 6.690 1.00 -0.57 O ATOM 1392 CB PRO A 88 -10.725 5.044 3.700 1.00 0.00 C ATOM 1393 CG PRO A 88 -10.265 3.751 4.348 1.00 0.00 C ATOM 1394 CD PRO A 88 -9.035 4.152 5.169 1.00 0.30 C ATOM 0 HA PRO A 88 -9.902 7.025 3.952 1.00 0.36 H new ATOM 0 HB2 PRO A 88 -11.813 5.082 3.638 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -10.345 5.125 2.682 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -11.043 3.325 4.981 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -10.015 2.999 3.600 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -9.054 3.678 6.150 1.00 0.30 H new ATOM 0 HD3 PRO A 88 -8.119 3.828 4.676 1.00 0.30 H new ATOM 1402 N GLY A 89 -12.056 7.679 5.053 1.00 -0.73 N ATOM 1403 CA GLY A 89 -13.111 8.330 5.835 1.00 0.36 C ATOM 1404 C GLY A 89 -12.941 9.852 5.960 1.00 0.57 C ATOM 1405 O GLY A 89 -13.634 10.482 6.760 1.00 -0.57 O ATOM 0 H GLY A 89 -11.998 8.018 4.093 1.00 -0.73 H new ATOM 0 HA2 GLY A 89 -14.076 8.118 5.374 1.00 0.36 H new ATOM 0 HA3 GLY A 89 -13.132 7.893 6.833 1.00 0.36 H new ATOM 1409 N THR A 90 -12.000 10.452 5.219 1.00 -0.73 N ATOM 1410 CA THR A 90 -11.755 11.891 5.149 1.00 0.36 C ATOM 1411 C THR A 90 -10.957 12.175 3.866 1.00 0.57 C ATOM 1412 O THR A 90 -10.453 11.242 3.239 1.00 -0.57 O ATOM 1413 CB THR A 90 -11.049 12.389 6.436 1.00 0.28 C ATOM 1414 OG1 THR A 90 -10.699 13.754 6.300 1.00 -0.68 O ATOM 1415 CG2 THR A 90 -9.788 11.604 6.823 1.00 0.00 C ATOM 0 H THR A 90 -11.362 9.920 4.627 1.00 -0.73 H new ATOM 0 HA THR A 90 -12.691 12.447 5.098 1.00 0.36 H new ATOM 0 HB THR A 90 -11.775 12.233 7.234 1.00 0.28 H new ATOM 0 HG1 THR A 90 -10.255 14.061 7.118 1.00 -0.68 H new ATOM 0 HG21 THR A 90 -9.363 12.024 7.735 1.00 0.00 H new ATOM 0 HG22 THR A 90 -10.047 10.559 6.992 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.056 11.671 6.018 1.00 0.00 H new ATOM 1423 N GLY A 91 -10.830 13.457 3.487 1.00 -0.73 N ATOM 1424 CA GLY A 91 -10.158 13.922 2.281 1.00 0.36 C ATOM 1425 C GLY A 91 -8.721 13.423 2.167 1.00 0.57 C ATOM 1426 O GLY A 91 -8.423 12.734 1.197 1.00 -0.57 O ATOM 0 H GLY A 91 -11.212 14.223 4.042 1.00 -0.73 H new ATOM 0 HA2 GLY A 91 -10.721 13.592 1.408 1.00 0.36 H new ATOM 0 HA3 GLY A 91 -10.160 15.012 2.268 1.00 0.36 H new ATOM 1430 N LEU A 92 -7.861 13.719 3.160 1.00 -0.73 N ATOM 1431 CA LEU A 92 -6.489 13.189 3.259 1.00 0.36 C ATOM 1432 C LEU A 92 -6.501 11.665 3.494 1.00 0.57 C ATOM 1433 O LEU A 92 -5.498 10.981 3.318 1.00 -0.57 O ATOM 1434 CB LEU A 92 -5.726 13.881 4.411 1.00 0.00 C ATOM 1435 CG LEU A 92 -4.191 13.640 4.410 1.00 0.00 C ATOM 1436 CD1 LEU A 92 -3.441 14.681 3.573 1.00 0.00 C ATOM 1437 CD2 LEU A 92 -3.649 13.633 5.846 1.00 0.00 C ATOM 0 H LEU A 92 -8.105 14.344 3.929 1.00 -0.73 H new ATOM 0 HA LEU A 92 -5.984 13.395 2.315 1.00 0.36 H new ATOM 0 HB2 LEU A 92 -5.912 14.954 4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.134 13.533 5.360 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.021 12.666 3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.372 14.470 3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.790 14.639 2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.626 15.676 3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.572 13.463 5.828 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.857 14.593 6.318 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.132 12.838 6.413 1.00 0.00 H new ATOM 1449 N GLY A 93 -7.635 11.114 3.926 1.00 -0.73 N ATOM 1450 CA GLY A 93 -7.780 9.696 4.173 1.00 0.36 C ATOM 1451 C GLY A 93 -7.450 8.894 2.924 1.00 0.57 C ATOM 1452 O GLY A 93 -7.651 9.371 1.806 1.00 -0.57 O ATOM 0 H GLY A 93 -8.481 11.652 4.113 1.00 -0.73 H new ATOM 0 HA2 GLY A 93 -7.122 9.395 4.988 1.00 0.36 H new ATOM 0 HA3 GLY A 93 -8.800 9.480 4.490 1.00 0.36 H new ATOM 1456 N GLY A 94 -6.903 7.693 3.124 1.00 -0.73 N ATOM 1457 CA GLY A 94 -6.435 6.790 2.080 1.00 0.36 C ATOM 1458 C GLY A 94 -5.177 7.243 1.349 1.00 0.57 C ATOM 1459 O GLY A 94 -4.509 6.402 0.750 1.00 -0.57 O ATOM 0 H GLY A 94 -6.770 7.310 4.060 1.00 -0.73 H new ATOM 0 HA2 GLY A 94 -6.246 5.813 2.524 1.00 0.36 H new ATOM 0 HA3 GLY A 94 -7.234 6.659 1.350 1.00 0.36 H new ATOM 1463 N ASP A 95 -4.850 8.540 1.373 1.00 -0.73 N ATOM 1464 CA ASP A 95 -3.727 9.073 0.616 1.00 0.36 C ATOM 1465 C ASP A 95 -2.446 8.550 1.239 1.00 0.57 C ATOM 1466 O ASP A 95 -2.401 8.201 2.424 1.00 -0.57 O ATOM 1467 CB ASP A 95 -3.770 10.614 0.577 1.00 0.06 C ATOM 1468 CG ASP A 95 -5.092 11.083 -0.029 1.00 0.66 C ATOM 1469 OD1 ASP A 95 -5.547 10.488 -0.992 1.00 -0.57 O ATOM 1470 OD2 ASP A 95 -5.788 12.072 0.526 1.00 -0.65 O ATOM 0 H ASP A 95 -5.356 9.240 1.915 1.00 -0.73 H new ATOM 0 HA ASP A 95 -3.778 8.743 -0.421 1.00 0.36 H new ATOM 0 HB2 ASP A 95 -3.659 11.015 1.584 1.00 0.06 H new ATOM 0 HB3 ASP A 95 -2.935 10.995 -0.011 1.00 0.06 H new ATOM 1476 N ALA A 96 -1.407 8.466 0.414 1.00 -0.73 N ATOM 1477 CA ALA A 96 -0.170 7.825 0.781 1.00 0.36 C ATOM 1478 C ALA A 96 0.978 8.535 0.095 1.00 0.57 C ATOM 1479 O ALA A 96 0.869 8.989 -1.049 1.00 -0.57 O ATOM 1480 CB ALA A 96 -0.225 6.344 0.389 1.00 0.00 C ATOM 0 H ALA A 96 -1.410 8.847 -0.532 1.00 -0.73 H new ATOM 0 HA ALA A 96 -0.018 7.883 1.859 1.00 0.36 H new ATOM 0 HB1 ALA A 96 0.711 5.859 0.667 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.052 5.861 0.909 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.373 6.258 -0.687 1.00 0.00 H new ATOM 1486 N HIS A 97 2.105 8.606 0.797 1.00 -0.73 N ATOM 1487 CA HIS A 97 3.295 9.253 0.286 1.00 0.36 C ATOM 1488 C HIS A 97 4.491 8.342 0.496 1.00 0.57 C ATOM 1489 O HIS A 97 4.470 7.474 1.369 1.00 -0.57 O ATOM 1490 CB HIS A 97 3.533 10.617 0.938 1.00 0.17 C ATOM 1491 CG HIS A 97 2.409 11.622 0.881 1.00 0.18 C ATOM 1492 ND1 HIS A 97 2.078 12.490 1.910 1.00 -0.70 N ATOM 1493 CD2 HIS A 97 1.572 11.860 -0.173 1.00 0.20 C ATOM 1494 CE1 HIS A 97 1.036 13.229 1.475 1.00 0.65 C ATOM 1495 NE2 HIS A 97 0.712 12.862 0.220 1.00 -0.70 N ATOM 0 H HIS A 97 2.213 8.216 1.733 1.00 -0.73 H new ATOM 0 HA HIS A 97 3.154 9.434 -0.780 1.00 0.36 H new ATOM 0 HB2 HIS A 97 3.782 10.450 1.986 1.00 0.17 H new ATOM 0 HB3 HIS A 97 4.409 11.065 0.470 1.00 0.17 H new ATOM 0 HD2 HIS A 97 1.583 11.359 -1.130 1.00 0.20 H new ATOM 0 HE1 HIS A 97 0.537 13.998 2.046 1.00 0.65 H new ATOM 0 HE2 HIS A 97 -0.041 13.258 -0.343 1.00 -0.70 H new ATOM 1504 N PHE A 98 5.541 8.594 -0.284 1.00 -0.73 N ATOM 1505 CA PHE A 98 6.730 7.764 -0.406 1.00 0.36 C ATOM 1506 C PHE A 98 7.969 8.667 -0.429 1.00 0.57 C ATOM 1507 O PHE A 98 7.921 9.782 -0.956 1.00 -0.57 O ATOM 1508 CB PHE A 98 6.614 6.998 -1.731 1.00 0.14 C ATOM 1509 CG PHE A 98 5.520 5.942 -1.798 1.00 -0.14 C ATOM 1510 CD1 PHE A 98 4.169 6.315 -1.955 1.00 -0.15 C ATOM 1511 CD2 PHE A 98 5.854 4.578 -1.708 1.00 -0.15 C ATOM 1512 CE1 PHE A 98 3.158 5.340 -1.935 1.00 -0.15 C ATOM 1513 CE2 PHE A 98 4.843 3.600 -1.730 1.00 -0.15 C ATOM 1514 CZ PHE A 98 3.496 3.982 -1.833 1.00 -0.15 C ATOM 0 H PHE A 98 5.584 9.424 -0.875 1.00 -0.73 H new ATOM 0 HA PHE A 98 6.819 7.070 0.429 1.00 0.36 H new ATOM 0 HB2 PHE A 98 6.445 7.719 -2.531 1.00 0.14 H new ATOM 0 HB3 PHE A 98 7.570 6.515 -1.934 1.00 0.14 H new ATOM 0 HD1 PHE A 98 3.911 7.355 -2.091 1.00 -0.15 H new ATOM 0 HD2 PHE A 98 6.889 4.281 -1.622 1.00 -0.15 H new ATOM 0 HE1 PHE A 98 2.121 5.635 -1.998 1.00 -0.15 H new ATOM 0 HE2 PHE A 98 5.103 2.554 -1.668 1.00 -0.15 H new ATOM 0 HZ PHE A 98 2.720 3.231 -1.834 1.00 -0.15 H new ATOM 1524 N ASP A 99 9.088 8.196 0.115 1.00 -0.73 N ATOM 1525 CA ASP A 99 10.372 8.882 -0.009 1.00 0.36 C ATOM 1526 C ASP A 99 10.988 8.541 -1.370 1.00 0.57 C ATOM 1527 O ASP A 99 11.516 7.448 -1.541 1.00 -0.57 O ATOM 1528 CB ASP A 99 11.333 8.392 1.069 1.00 0.06 C ATOM 1529 CG ASP A 99 11.121 8.988 2.447 1.00 0.66 C ATOM 1530 OD1 ASP A 99 11.005 8.176 3.350 1.00 -0.57 O ATOM 1531 OD2 ASP A 99 11.182 10.310 2.582 1.00 -0.65 O ATOM 0 H ASP A 99 9.131 7.330 0.653 1.00 -0.73 H new ATOM 0 HA ASP A 99 10.210 9.955 0.093 1.00 0.36 H new ATOM 0 HB2 ASP A 99 11.247 7.308 1.143 1.00 0.06 H new ATOM 0 HB3 ASP A 99 12.352 8.610 0.750 1.00 0.06 H new ATOM 1537 N GLU A 100 10.978 9.460 -2.338 1.00 -0.73 N ATOM 1538 CA GLU A 100 11.682 9.325 -3.619 1.00 0.36 C ATOM 1539 C GLU A 100 13.196 9.118 -3.401 1.00 0.57 C ATOM 1540 O GLU A 100 13.853 8.496 -4.231 1.00 -0.57 O ATOM 1541 CB GLU A 100 11.442 10.589 -4.480 1.00 0.00 C ATOM 1542 CG GLU A 100 11.657 10.390 -5.995 1.00 0.06 C ATOM 1543 CD GLU A 100 12.112 11.684 -6.727 1.00 0.66 C ATOM 1544 OE1 GLU A 100 11.303 12.520 -7.096 1.00 -0.57 O ATOM 1545 OE2 GLU A 100 13.416 11.853 -6.927 1.00 -0.65 O ATOM 0 H GLU A 100 10.469 10.340 -2.253 1.00 -0.73 H new ATOM 0 HA GLU A 100 11.290 8.449 -4.137 1.00 0.36 H new ATOM 0 HB2 GLU A 100 10.422 10.936 -4.314 1.00 0.00 H new ATOM 0 HB3 GLU A 100 12.108 11.379 -4.133 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.404 9.612 -6.150 1.00 0.06 H new ATOM 0 HG3 GLU A 100 10.729 10.035 -6.443 1.00 0.06 H new ATOM 1553 N ASP A 101 13.740 9.631 -2.285 1.00 -0.73 N ATOM 1554 CA ASP A 101 15.168 9.548 -1.960 1.00 0.36 C ATOM 1555 C ASP A 101 15.592 8.096 -1.671 1.00 0.57 C ATOM 1556 O ASP A 101 16.702 7.674 -2.003 1.00 -0.57 O ATOM 1557 CB ASP A 101 15.466 10.465 -0.752 1.00 0.06 C ATOM 1558 CG ASP A 101 16.912 10.995 -0.710 1.00 0.66 C ATOM 1559 OD1 ASP A 101 17.082 12.154 -0.370 1.00 -0.57 O ATOM 1560 OD2 ASP A 101 17.913 10.178 -1.024 1.00 -0.65 O ATOM 0 H ASP A 101 13.192 10.120 -1.577 1.00 -0.73 H new ATOM 0 HA ASP A 101 15.749 9.885 -2.819 1.00 0.36 H new ATOM 0 HB2 ASP A 101 14.780 11.312 -0.774 1.00 0.06 H new ATOM 0 HB3 ASP A 101 15.265 9.915 0.167 1.00 0.06 H new ATOM 1566 N GLU A 102 14.692 7.307 -1.076 1.00 -0.73 N ATOM 1567 CA GLU A 102 14.941 5.903 -0.772 1.00 0.36 C ATOM 1568 C GLU A 102 14.851 5.141 -2.098 1.00 0.57 C ATOM 1569 O GLU A 102 13.826 5.209 -2.766 1.00 -0.57 O ATOM 1570 CB GLU A 102 13.920 5.398 0.265 1.00 0.00 C ATOM 1571 CG GLU A 102 13.979 6.178 1.596 1.00 0.06 C ATOM 1572 CD GLU A 102 14.463 5.418 2.827 1.00 0.66 C ATOM 1573 OE1 GLU A 102 14.007 5.789 3.896 1.00 -0.57 O ATOM 1574 OE2 GLU A 102 15.415 4.502 2.676 1.00 -0.65 O ATOM 0 H GLU A 102 13.767 7.630 -0.792 1.00 -0.73 H new ATOM 0 HA GLU A 102 15.926 5.751 -0.330 1.00 0.36 H new ATOM 0 HB2 GLU A 102 12.916 5.477 -0.153 1.00 0.00 H new ATOM 0 HB3 GLU A 102 14.101 4.341 0.461 1.00 0.00 H new ATOM 0 HG2 GLU A 102 14.630 7.041 1.454 1.00 0.06 H new ATOM 0 HG3 GLU A 102 12.981 6.563 1.807 1.00 0.06 H new ATOM 1582 N ARG A 103 15.927 4.454 -2.513 1.00 -0.73 N ATOM 1583 CA ARG A 103 15.964 3.798 -3.825 1.00 0.36 C ATOM 1584 C ARG A 103 14.802 2.824 -3.973 1.00 0.57 C ATOM 1585 O ARG A 103 14.621 1.949 -3.126 1.00 -0.57 O ATOM 1586 CB ARG A 103 17.280 3.049 -4.100 1.00 0.00 C ATOM 1587 CG ARG A 103 18.436 3.993 -4.451 1.00 0.00 C ATOM 1588 CD ARG A 103 19.269 4.353 -3.217 1.00 0.33 C ATOM 1589 NE ARG A 103 19.740 5.743 -3.274 1.00 -0.84 N ATOM 1590 CZ ARG A 103 20.760 6.261 -2.581 1.00 1.20 C ATOM 1591 NH1 ARG A 103 21.509 5.486 -1.789 1.00 -0.97 N ATOM 1592 NH2 ARG A 103 21.053 7.553 -2.715 1.00 -0.97 N ATOM 0 H ARG A 103 16.777 4.340 -1.961 1.00 -0.73 H new ATOM 0 HA ARG A 103 15.885 4.602 -4.557 1.00 0.36 H new ATOM 0 HB2 ARG A 103 17.549 2.462 -3.222 1.00 0.00 H new ATOM 0 HB3 ARG A 103 17.129 2.346 -4.919 1.00 0.00 H new ATOM 0 HG2 ARG A 103 19.076 3.522 -5.197 1.00 0.00 H new ATOM 0 HG3 ARG A 103 18.039 4.903 -4.900 1.00 0.00 H new ATOM 0 HD2 ARG A 103 18.671 4.207 -2.317 1.00 0.33 H new ATOM 0 HD3 ARG A 103 20.124 3.680 -3.145 1.00 0.33 H new ATOM 0 HE ARG A 103 19.242 6.374 -3.902 1.00 -0.84 H new ATOM 0 HH11 ARG A 103 21.305 4.490 -1.709 1.00 -0.97 H new ATOM 0 HH12 ARG A 103 22.285 5.891 -1.265 1.00 -0.97 H new ATOM 0 HH21 ARG A 103 20.501 8.139 -3.342 1.00 -0.97 H new ATOM 0 HH22 ARG A 103 21.829 7.957 -2.191 1.00 -0.97 H new ATOM 1606 N TRP A 104 14.090 2.907 -5.093 1.00 -0.73 N ATOM 1607 CA TRP A 104 12.961 2.032 -5.380 1.00 0.36 C ATOM 1608 C TRP A 104 13.360 1.104 -6.519 1.00 0.57 C ATOM 1609 O TRP A 104 14.157 1.477 -7.376 1.00 -0.57 O ATOM 1610 CB TRP A 104 11.708 2.858 -5.711 1.00 0.18 C ATOM 1611 CG TRP A 104 11.197 3.715 -4.591 1.00 -0.18 C ATOM 1612 CD1 TRP A 104 11.397 5.047 -4.479 1.00 -0.30 C ATOM 1613 CD2 TRP A 104 10.528 3.315 -3.347 1.00 0.00 C ATOM 1614 NE1 TRP A 104 10.895 5.494 -3.279 1.00 0.03 N ATOM 1615 CE2 TRP A 104 10.357 4.474 -2.534 1.00 -0.15 C ATOM 1616 CE3 TRP A 104 10.111 2.089 -2.783 1.00 -0.15 C ATOM 1617 CZ2 TRP A 104 9.810 4.434 -1.243 1.00 -0.15 C ATOM 1618 CZ3 TRP A 104 9.550 2.040 -1.489 1.00 -0.15 C ATOM 1619 CH2 TRP A 104 9.392 3.204 -0.722 1.00 -0.15 C ATOM 0 H TRP A 104 14.282 3.586 -5.829 1.00 -0.73 H new ATOM 0 HA TRP A 104 12.709 1.430 -4.507 1.00 0.36 H new ATOM 0 HB2 TRP A 104 11.929 3.498 -6.566 1.00 0.18 H new ATOM 0 HB3 TRP A 104 10.914 2.178 -6.019 1.00 0.18 H new ATOM 0 HD1 TRP A 104 11.879 5.667 -5.220 1.00 -0.30 H new ATOM 0 HE1 TRP A 104 10.920 6.468 -2.978 1.00 0.03 H new ATOM 0 HE3 TRP A 104 10.223 1.177 -3.350 1.00 -0.15 H new ATOM 0 HZ2 TRP A 104 9.713 5.338 -0.660 1.00 -0.15 H new ATOM 0 HZ3 TRP A 104 9.237 1.090 -1.082 1.00 -0.15 H new ATOM 0 HH2 TRP A 104 8.951 3.151 0.263 1.00 -0.15 H new ATOM 1630 N THR A 105 12.792 -0.102 -6.551 1.00 -0.73 N ATOM 1631 CA THR A 105 13.084 -1.079 -7.593 1.00 0.36 C ATOM 1632 C THR A 105 11.817 -1.870 -7.898 1.00 0.57 C ATOM 1633 O THR A 105 11.016 -2.120 -6.999 1.00 -0.57 O ATOM 1634 CB THR A 105 14.263 -1.947 -7.122 1.00 0.28 C ATOM 1635 OG1 THR A 105 14.925 -2.558 -8.200 1.00 -0.68 O ATOM 1636 CG2 THR A 105 13.911 -3.034 -6.100 1.00 0.00 C ATOM 0 H THR A 105 12.119 -0.426 -5.856 1.00 -0.73 H new ATOM 0 HA THR A 105 13.386 -0.608 -8.529 1.00 0.36 H new ATOM 0 HB THR A 105 14.912 -1.230 -6.619 1.00 0.28 H new ATOM 0 HG1 THR A 105 15.809 -2.151 -8.314 1.00 -0.68 H new ATOM 0 HG21 THR A 105 14.811 -3.588 -5.834 1.00 0.00 H new ATOM 0 HG22 THR A 105 13.492 -2.571 -5.206 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.179 -3.716 -6.532 1.00 0.00 H new ATOM 1644 N ASP A 106 11.614 -2.266 -9.153 1.00 -0.73 N ATOM 1645 CA ASP A 106 10.477 -3.075 -9.584 1.00 0.36 C ATOM 1646 C ASP A 106 10.501 -4.478 -8.965 1.00 0.57 C ATOM 1647 O ASP A 106 9.458 -5.000 -8.563 1.00 -0.57 O ATOM 1648 CB ASP A 106 10.485 -3.161 -11.120 1.00 0.06 C ATOM 1649 CG ASP A 106 11.856 -3.574 -11.661 1.00 0.66 C ATOM 1650 OD1 ASP A 106 12.031 -4.756 -11.908 1.00 -0.57 O ATOM 1651 OD2 ASP A 106 12.791 -2.629 -11.701 1.00 -0.65 O ATOM 0 H ASP A 106 12.249 -2.028 -9.915 1.00 -0.73 H new ATOM 0 HA ASP A 106 9.560 -2.597 -9.240 1.00 0.36 H new ATOM 0 HB2 ASP A 106 9.734 -3.880 -11.447 1.00 0.06 H new ATOM 0 HB3 ASP A 106 10.205 -2.195 -11.539 1.00 0.06 H new ATOM 1657 N GLY A 107 11.686 -5.086 -8.867 1.00 -0.73 N ATOM 1658 CA GLY A 107 11.907 -6.378 -8.250 1.00 0.36 C ATOM 1659 C GLY A 107 13.215 -6.984 -8.758 1.00 0.57 C ATOM 1660 O GLY A 107 13.837 -6.449 -9.672 1.00 -0.57 O ATOM 0 H GLY A 107 12.543 -4.670 -9.231 1.00 -0.73 H new ATOM 0 HA2 GLY A 107 11.943 -6.271 -7.166 1.00 0.36 H new ATOM 0 HA3 GLY A 107 11.075 -7.045 -8.477 1.00 0.36 H new ATOM 1664 N SER A 108 13.618 -8.120 -8.170 1.00 -0.73 N ATOM 1665 CA SER A 108 14.799 -8.895 -8.571 1.00 0.36 C ATOM 1666 C SER A 108 16.094 -8.061 -8.685 1.00 0.57 C ATOM 1667 O SER A 108 16.986 -8.369 -9.479 1.00 -0.57 O ATOM 1668 CB SER A 108 14.461 -9.709 -9.833 1.00 0.28 C ATOM 1669 OG SER A 108 15.024 -11.006 -9.764 1.00 -0.68 O ATOM 0 H SER A 108 13.119 -8.535 -7.383 1.00 -0.73 H new ATOM 0 HA SER A 108 15.039 -9.592 -7.768 1.00 0.36 H new ATOM 0 HB2 SER A 108 13.379 -9.783 -9.944 1.00 0.28 H new ATOM 0 HB3 SER A 108 14.837 -9.192 -10.716 1.00 0.28 H new ATOM 0 HG SER A 108 14.795 -11.506 -10.575 1.00 -0.68 H new ATOM 1675 N SER A 109 16.204 -6.999 -7.876 1.00 -0.73 N ATOM 1676 CA SER A 109 17.280 -6.019 -7.898 1.00 0.36 C ATOM 1677 C SER A 109 17.419 -5.389 -6.511 1.00 0.57 C ATOM 1678 O SER A 109 16.549 -5.562 -5.655 1.00 -0.57 O ATOM 1679 CB SER A 109 16.966 -4.934 -8.944 1.00 0.28 C ATOM 1680 OG SER A 109 17.790 -5.088 -10.079 1.00 -0.68 O ATOM 0 H SER A 109 15.509 -6.797 -7.157 1.00 -0.73 H new ATOM 0 HA SER A 109 18.218 -6.507 -8.165 1.00 0.36 H new ATOM 0 HB2 SER A 109 15.918 -4.996 -9.237 1.00 0.28 H new ATOM 0 HB3 SER A 109 17.118 -3.946 -8.509 1.00 0.28 H new ATOM 0 HG SER A 109 17.577 -4.392 -10.735 1.00 -0.68 H new ATOM 1686 N LEU A 110 18.516 -4.646 -6.318 1.00 -0.73 N ATOM 1687 CA LEU A 110 18.777 -3.827 -5.135 1.00 0.36 C ATOM 1688 C LEU A 110 17.789 -2.663 -5.023 1.00 0.57 C ATOM 1689 O LEU A 110 17.105 -2.321 -5.992 1.00 -0.57 O ATOM 1690 CB LEU A 110 20.223 -3.298 -5.182 1.00 0.00 C ATOM 1691 CG LEU A 110 20.512 -2.392 -6.408 1.00 0.00 C ATOM 1692 CD1 LEU A 110 20.968 -0.992 -5.984 1.00 0.00 C ATOM 1693 CD2 LEU A 110 21.569 -3.039 -7.312 1.00 0.00 C ATOM 0 H LEU A 110 19.268 -4.599 -7.005 1.00 -0.73 H new ATOM 0 HA LEU A 110 18.645 -4.453 -4.253 1.00 0.36 H new ATOM 0 HB2 LEU A 110 20.426 -2.737 -4.270 1.00 0.00 H new ATOM 0 HB3 LEU A 110 20.910 -4.144 -5.195 1.00 0.00 H new ATOM 0 HG LEU A 110 19.580 -2.285 -6.964 1.00 0.00 H new ATOM 0 HD11 LEU A 110 21.160 -0.388 -6.871 1.00 0.00 H new ATOM 0 HD12 LEU A 110 20.188 -0.521 -5.386 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.881 -1.070 -5.393 1.00 0.00 H new ATOM 0 HD21 LEU A 110 21.761 -2.392 -8.168 1.00 0.00 H new ATOM 0 HD22 LEU A 110 22.492 -3.180 -6.749 1.00 0.00 H new ATOM 0 HD23 LEU A 110 21.206 -4.005 -7.662 1.00 0.00 H new ATOM 1705 N GLY A 111 17.777 -2.021 -3.850 1.00 -0.73 N ATOM 1706 CA GLY A 111 16.840 -0.963 -3.499 1.00 0.36 C ATOM 1707 C GLY A 111 15.671 -1.558 -2.721 1.00 0.57 C ATOM 1708 O GLY A 111 15.773 -2.662 -2.175 1.00 -0.57 O ATOM 0 H GLY A 111 18.438 -2.233 -3.103 1.00 -0.73 H new ATOM 0 HA2 GLY A 111 17.341 -0.203 -2.899 1.00 0.36 H new ATOM 0 HA3 GLY A 111 16.477 -0.470 -4.401 1.00 0.36 H new ATOM 1712 N ILE A 112 14.560 -0.823 -2.667 1.00 -0.73 N ATOM 1713 CA ILE A 112 13.351 -1.246 -1.978 1.00 0.36 C ATOM 1714 C ILE A 112 12.311 -1.604 -3.034 1.00 0.57 C ATOM 1715 O ILE A 112 11.978 -0.795 -3.899 1.00 -0.57 O ATOM 1716 CB ILE A 112 12.902 -0.136 -1.009 1.00 0.00 C ATOM 1717 CG1 ILE A 112 13.976 0.049 0.096 1.00 0.00 C ATOM 1718 CG2 ILE A 112 11.532 -0.461 -0.381 1.00 0.00 C ATOM 1719 CD1 ILE A 112 14.627 1.436 0.078 1.00 0.00 C ATOM 0 H ILE A 112 14.478 0.093 -3.107 1.00 -0.73 H new ATOM 0 HA ILE A 112 13.513 -2.132 -1.365 1.00 0.36 H new ATOM 0 HB ILE A 112 12.794 0.793 -1.569 1.00 0.00 H new ATOM 0 HG12 ILE A 112 13.518 -0.118 1.071 1.00 0.00 H new ATOM 0 HG13 ILE A 112 14.749 -0.710 -0.027 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.243 0.342 0.298 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.784 -0.557 -1.168 1.00 0.00 H new ATOM 0 HG23 ILE A 112 11.598 -1.398 0.172 1.00 0.00 H new ATOM 0 HD11 ILE A 112 15.368 1.500 0.875 1.00 0.00 H new ATOM 0 HD12 ILE A 112 15.113 1.597 -0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 112 13.863 2.198 0.231 1.00 0.00 H new ATOM 1731 N ASN A 113 11.826 -2.850 -2.960 1.00 -0.73 N ATOM 1732 CA ASN A 113 10.806 -3.406 -3.836 1.00 0.36 C ATOM 1733 C ASN A 113 9.551 -2.524 -3.806 1.00 0.57 C ATOM 1734 O ASN A 113 8.782 -2.537 -2.843 1.00 -0.57 O ATOM 1735 CB ASN A 113 10.534 -4.871 -3.448 1.00 0.06 C ATOM 1736 CG ASN A 113 9.601 -5.581 -4.431 1.00 0.57 C ATOM 1737 OD1 ASN A 113 8.740 -4.962 -5.044 1.00 -0.57 O ATOM 1738 ND2 ASN A 113 9.753 -6.890 -4.588 1.00 -0.80 N ATOM 0 H ASN A 113 12.150 -3.517 -2.260 1.00 -0.73 H new ATOM 0 HA ASN A 113 11.153 -3.413 -4.869 1.00 0.36 H new ATOM 0 HB2 ASN A 113 11.480 -5.410 -3.398 1.00 0.06 H new ATOM 0 HB3 ASN A 113 10.096 -4.903 -2.451 1.00 0.06 H new ATOM 0 HD21 ASN A 113 9.146 -7.401 -5.229 1.00 -0.80 H new ATOM 0 HD22 ASN A 113 10.477 -7.385 -4.067 1.00 -0.80 H new ATOM 1745 N PHE A 114 9.360 -1.765 -4.883 1.00 -0.73 N ATOM 1746 CA PHE A 114 8.245 -0.874 -5.125 1.00 0.36 C ATOM 1747 C PHE A 114 6.927 -1.636 -5.120 1.00 0.57 C ATOM 1748 O PHE A 114 5.926 -1.107 -4.651 1.00 -0.57 O ATOM 1749 CB PHE A 114 8.440 -0.197 -6.491 1.00 0.14 C ATOM 1750 CG PHE A 114 7.375 0.836 -6.796 1.00 -0.14 C ATOM 1751 CD1 PHE A 114 6.149 0.454 -7.378 1.00 -0.15 C ATOM 1752 CD2 PHE A 114 7.592 2.179 -6.441 1.00 -0.15 C ATOM 1753 CE1 PHE A 114 5.126 1.402 -7.553 1.00 -0.15 C ATOM 1754 CE2 PHE A 114 6.579 3.126 -6.641 1.00 -0.15 C ATOM 1755 CZ PHE A 114 5.335 2.734 -7.161 1.00 -0.15 C ATOM 0 H PHE A 114 10.027 -1.761 -5.655 1.00 -0.73 H new ATOM 0 HA PHE A 114 8.210 -0.128 -4.331 1.00 0.36 H new ATOM 0 HB2 PHE A 114 9.420 0.280 -6.517 1.00 0.14 H new ATOM 0 HB3 PHE A 114 8.435 -0.958 -7.272 1.00 0.14 H new ATOM 0 HD1 PHE A 114 5.996 -0.569 -7.690 1.00 -0.15 H new ATOM 0 HD2 PHE A 114 8.538 2.480 -6.015 1.00 -0.15 H new ATOM 0 HE1 PHE A 114 4.182 1.107 -7.988 1.00 -0.15 H new ATOM 0 HE2 PHE A 114 6.756 4.162 -6.394 1.00 -0.15 H new ATOM 0 HZ PHE A 114 4.539 3.457 -7.259 1.00 -0.15 H new ATOM 1765 N LEU A 115 6.906 -2.869 -5.634 1.00 -0.73 N ATOM 1766 CA LEU A 115 5.690 -3.664 -5.686 1.00 0.36 C ATOM 1767 C LEU A 115 5.303 -4.118 -4.277 1.00 0.57 C ATOM 1768 O LEU A 115 4.126 -4.080 -3.927 1.00 -0.57 O ATOM 1769 CB LEU A 115 5.903 -4.868 -6.620 1.00 0.00 C ATOM 1770 CG LEU A 115 4.574 -5.502 -7.062 1.00 0.00 C ATOM 1771 CD1 LEU A 115 3.868 -4.625 -8.093 1.00 0.00 C ATOM 1772 CD2 LEU A 115 4.800 -6.882 -7.688 1.00 0.00 C ATOM 0 H LEU A 115 7.727 -3.335 -6.021 1.00 -0.73 H new ATOM 0 HA LEU A 115 4.873 -3.061 -6.082 1.00 0.36 H new ATOM 0 HB2 LEU A 115 6.462 -4.549 -7.500 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.510 -5.617 -6.112 1.00 0.00 H new ATOM 0 HG LEU A 115 3.957 -5.599 -6.168 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.930 -5.095 -8.390 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.662 -3.647 -7.658 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.507 -4.506 -8.968 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.842 -7.305 -7.991 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.446 -6.784 -8.561 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.273 -7.539 -6.958 1.00 0.00 H new ATOM 1784 N TYR A 116 6.291 -4.517 -3.465 1.00 -0.73 N ATOM 1785 CA TYR A 116 6.092 -4.846 -2.052 1.00 0.36 C ATOM 1786 C TYR A 116 5.597 -3.607 -1.308 1.00 0.57 C ATOM 1787 O TYR A 116 4.645 -3.694 -0.529 1.00 -0.57 O ATOM 1788 CB TYR A 116 7.409 -5.380 -1.464 1.00 0.14 C ATOM 1789 CG TYR A 116 7.349 -6.117 -0.131 1.00 -0.14 C ATOM 1790 CD1 TYR A 116 7.132 -5.443 1.086 1.00 -0.15 C ATOM 1791 CD2 TYR A 116 7.613 -7.495 -0.099 1.00 -0.15 C ATOM 1792 CE1 TYR A 116 7.260 -6.118 2.318 1.00 -0.15 C ATOM 1793 CE2 TYR A 116 7.670 -8.195 1.117 1.00 -0.15 C ATOM 1794 CZ TYR A 116 7.534 -7.506 2.335 1.00 0.08 C ATOM 1795 OH TYR A 116 7.631 -8.198 3.504 1.00 -0.53 O ATOM 0 H TYR A 116 7.257 -4.620 -3.775 1.00 -0.73 H new ATOM 0 HA TYR A 116 5.337 -5.624 -1.944 1.00 0.36 H new ATOM 0 HB2 TYR A 116 7.854 -6.052 -2.198 1.00 0.14 H new ATOM 0 HB3 TYR A 116 8.090 -4.537 -1.349 1.00 0.14 H new ATOM 0 HD1 TYR A 116 6.864 -4.397 1.076 1.00 -0.15 H new ATOM 0 HD2 TYR A 116 7.775 -8.026 -1.025 1.00 -0.15 H new ATOM 0 HE1 TYR A 116 7.149 -5.577 3.246 1.00 -0.15 H new ATOM 0 HE2 TYR A 116 7.819 -9.265 1.117 1.00 -0.15 H new ATOM 0 HH TYR A 116 7.823 -9.140 3.312 1.00 -0.53 H new ATOM 1805 N ALA A 117 6.219 -2.454 -1.583 1.00 -0.73 N ATOM 1806 CA ALA A 117 5.858 -1.180 -0.981 1.00 0.36 C ATOM 1807 C ALA A 117 4.423 -0.835 -1.318 1.00 0.57 C ATOM 1808 O ALA A 117 3.615 -0.635 -0.418 1.00 -0.57 O ATOM 1809 CB ALA A 117 6.806 -0.083 -1.477 1.00 0.00 C ATOM 0 H ALA A 117 6.997 -2.387 -2.240 1.00 -0.73 H new ATOM 0 HA ALA A 117 5.949 -1.257 0.102 1.00 0.36 H new ATOM 0 HB1 ALA A 117 6.531 0.869 -1.023 1.00 0.00 H new ATOM 0 HB2 ALA A 117 7.830 -0.334 -1.200 1.00 0.00 H new ATOM 0 HB3 ALA A 117 6.733 -0.002 -2.562 1.00 0.00 H new ATOM 1815 N ALA A 118 4.100 -0.820 -2.612 1.00 -0.73 N ATOM 1816 CA ALA A 118 2.779 -0.504 -3.101 1.00 0.36 C ATOM 1817 C ALA A 118 1.774 -1.478 -2.495 1.00 0.57 C ATOM 1818 O ALA A 118 0.844 -1.014 -1.854 1.00 -0.57 O ATOM 1819 CB ALA A 118 2.775 -0.513 -4.633 1.00 0.00 C ATOM 0 H ALA A 118 4.768 -1.032 -3.353 1.00 -0.73 H new ATOM 0 HA ALA A 118 2.484 0.500 -2.794 1.00 0.36 H new ATOM 0 HB1 ALA A 118 1.775 -0.274 -4.996 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.482 0.229 -5.003 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.064 -1.501 -4.992 1.00 0.00 H new ATOM 1825 N THR A 119 1.976 -2.798 -2.591 1.00 -0.73 N ATOM 1826 CA THR A 119 1.077 -3.775 -1.975 1.00 0.36 C ATOM 1827 C THR A 119 0.881 -3.492 -0.474 1.00 0.57 C ATOM 1828 O THR A 119 -0.262 -3.525 -0.018 1.00 -0.57 O ATOM 1829 CB THR A 119 1.601 -5.195 -2.256 1.00 0.28 C ATOM 1830 OG1 THR A 119 1.499 -5.455 -3.642 1.00 -0.68 O ATOM 1831 CG2 THR A 119 0.829 -6.320 -1.560 1.00 0.00 C ATOM 0 H THR A 119 2.760 -3.214 -3.094 1.00 -0.73 H new ATOM 0 HA THR A 119 0.086 -3.690 -2.420 1.00 0.36 H new ATOM 0 HB THR A 119 2.622 -5.199 -1.874 1.00 0.28 H new ATOM 0 HG1 THR A 119 2.294 -5.110 -4.099 1.00 -0.68 H new ATOM 0 HG21 THR A 119 1.273 -7.281 -1.820 1.00 0.00 H new ATOM 0 HG22 THR A 119 0.875 -6.179 -0.480 1.00 0.00 H new ATOM 0 HG23 THR A 119 -0.211 -6.302 -1.884 1.00 0.00 H new ATOM 1839 N HIS A 120 1.938 -3.182 0.290 1.00 -0.73 N ATOM 1840 CA HIS A 120 1.789 -2.841 1.704 1.00 0.36 C ATOM 1841 C HIS A 120 0.978 -1.543 1.866 1.00 0.57 C ATOM 1842 O HIS A 120 -0.028 -1.538 2.575 1.00 -0.57 O ATOM 1843 CB HIS A 120 3.179 -2.779 2.373 1.00 0.17 C ATOM 1844 CG HIS A 120 3.150 -2.602 3.876 1.00 0.18 C ATOM 1845 ND1 HIS A 120 3.771 -3.382 4.843 1.00 -0.70 N ATOM 1846 CD2 HIS A 120 2.537 -1.577 4.534 1.00 0.20 C ATOM 1847 CE1 HIS A 120 3.529 -2.824 6.046 1.00 0.65 C ATOM 1848 NE2 HIS A 120 2.751 -1.744 5.879 1.00 -0.70 N ATOM 0 H HIS A 120 2.900 -3.161 -0.049 1.00 -0.73 H new ATOM 0 HA HIS A 120 1.221 -3.618 2.216 1.00 0.36 H new ATOM 0 HB2 HIS A 120 3.721 -3.695 2.139 1.00 0.17 H new ATOM 0 HB3 HIS A 120 3.742 -1.955 1.935 1.00 0.17 H new ATOM 0 HD1 HIS A 120 4.315 -4.228 4.673 1.00 -0.70 H new ATOM 0 HD2 HIS A 120 1.980 -0.773 4.076 1.00 0.20 H new ATOM 0 HE1 HIS A 120 3.902 -3.188 6.992 1.00 0.65 H new ATOM 1857 N GLU A 121 1.390 -0.438 1.231 1.00 -0.73 N ATOM 1858 CA GLU A 121 0.777 0.876 1.445 1.00 0.36 C ATOM 1859 C GLU A 121 -0.664 0.916 0.919 1.00 0.57 C ATOM 1860 O GLU A 121 -1.546 1.478 1.569 1.00 -0.57 O ATOM 1861 CB GLU A 121 1.604 1.992 0.777 1.00 0.00 C ATOM 1862 CG GLU A 121 3.043 2.184 1.289 1.00 0.06 C ATOM 1863 CD GLU A 121 3.149 2.224 2.810 1.00 0.66 C ATOM 1864 OE1 GLU A 121 3.031 3.299 3.374 1.00 -0.57 O ATOM 1865 OE2 GLU A 121 3.350 1.069 3.439 1.00 -0.65 O ATOM 0 H GLU A 121 2.155 -0.431 0.557 1.00 -0.73 H new ATOM 0 HA GLU A 121 0.759 1.047 2.521 1.00 0.36 H new ATOM 0 HB2 GLU A 121 1.647 1.790 -0.293 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.069 2.934 0.902 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.666 1.373 0.911 1.00 0.06 H new ATOM 0 HG3 GLU A 121 3.445 3.111 0.881 1.00 0.06 H new ATOM 1873 N LEU A 122 -0.926 0.292 -0.235 1.00 -0.73 N ATOM 1874 CA LEU A 122 -2.264 0.187 -0.807 1.00 0.36 C ATOM 1875 C LEU A 122 -3.170 -0.643 0.095 1.00 0.57 C ATOM 1876 O LEU A 122 -4.359 -0.345 0.169 1.00 -0.57 O ATOM 1877 CB LEU A 122 -2.253 -0.404 -2.234 1.00 0.00 C ATOM 1878 CG LEU A 122 -2.029 0.589 -3.397 1.00 0.00 C ATOM 1879 CD1 LEU A 122 -3.101 1.684 -3.418 1.00 0.00 C ATOM 1880 CD2 LEU A 122 -0.662 1.280 -3.433 1.00 0.00 C ATOM 0 H LEU A 122 -0.205 -0.157 -0.800 1.00 -0.73 H new ATOM 0 HA LEU A 122 -2.655 1.202 -0.878 1.00 0.36 H new ATOM 0 HB2 LEU A 122 -1.473 -1.164 -2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.203 -0.912 -2.399 1.00 0.00 H new ATOM 0 HG LEU A 122 -2.088 -0.053 -4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -2.911 2.363 -4.249 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -4.084 1.229 -3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -3.072 2.240 -2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -0.617 1.953 -4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.518 1.850 -2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.123 0.529 -3.520 1.00 0.00 H new ATOM 1892 N GLY A 123 -2.635 -1.622 0.835 1.00 -0.73 N ATOM 1893 CA GLY A 123 -3.397 -2.311 1.867 1.00 0.36 C ATOM 1894 C GLY A 123 -4.032 -1.325 2.842 1.00 0.57 C ATOM 1895 O GLY A 123 -5.224 -1.421 3.135 1.00 -0.57 O ATOM 0 H GLY A 123 -1.675 -1.951 0.733 1.00 -0.73 H new ATOM 0 HA2 GLY A 123 -4.174 -2.918 1.403 1.00 0.36 H new ATOM 0 HA3 GLY A 123 -2.743 -2.992 2.411 1.00 0.36 H new ATOM 1899 N HIS A 124 -3.267 -0.314 3.268 1.00 -0.73 N ATOM 1900 CA HIS A 124 -3.786 0.727 4.137 1.00 0.36 C ATOM 1901 C HIS A 124 -4.685 1.714 3.393 1.00 0.57 C ATOM 1902 O HIS A 124 -5.661 2.185 3.980 1.00 -0.57 O ATOM 1903 CB HIS A 124 -2.640 1.462 4.830 1.00 0.17 C ATOM 1904 CG HIS A 124 -1.824 0.574 5.729 1.00 0.18 C ATOM 1905 ND1 HIS A 124 -2.238 -0.035 6.891 1.00 -0.70 N ATOM 1906 CD2 HIS A 124 -0.529 0.196 5.521 1.00 0.20 C ATOM 1907 CE1 HIS A 124 -1.215 -0.762 7.362 1.00 0.65 C ATOM 1908 NE2 HIS A 124 -0.137 -0.633 6.574 1.00 -0.70 N ATOM 0 H HIS A 124 -2.284 -0.202 3.019 1.00 -0.73 H new ATOM 0 HA HIS A 124 -4.405 0.239 4.890 1.00 0.36 H new ATOM 0 HB2 HIS A 124 -1.988 1.900 4.074 1.00 0.17 H new ATOM 0 HB3 HIS A 124 -3.047 2.286 5.416 1.00 0.17 H new ATOM 0 HD2 HIS A 124 0.088 0.488 4.684 1.00 0.20 H new ATOM 0 HE1 HIS A 124 -1.253 -1.369 8.254 1.00 0.65 H new ATOM 0 HE2 HIS A 124 0.781 -1.054 6.715 1.00 -0.70 H new ATOM 1917 N SER A 125 -4.409 2.002 2.116 1.00 -0.73 N ATOM 1918 CA SER A 125 -5.292 2.835 1.306 1.00 0.36 C ATOM 1919 C SER A 125 -6.677 2.185 1.134 1.00 0.57 C ATOM 1920 O SER A 125 -7.687 2.887 1.100 1.00 -0.57 O ATOM 1921 CB SER A 125 -4.617 3.183 -0.029 1.00 0.28 C ATOM 1922 OG SER A 125 -5.086 2.400 -1.105 1.00 -0.68 O ATOM 0 H SER A 125 -3.580 1.668 1.625 1.00 -0.73 H new ATOM 0 HA SER A 125 -5.470 3.775 1.828 1.00 0.36 H new ATOM 0 HB2 SER A 125 -4.787 4.236 -0.252 1.00 0.28 H new ATOM 0 HB3 SER A 125 -3.540 3.048 0.069 1.00 0.28 H new ATOM 0 HG SER A 125 -4.917 1.453 -0.919 1.00 -0.68 H new ATOM 1928 N LEU A 126 -6.746 0.847 1.067 1.00 -0.73 N ATOM 1929 CA LEU A 126 -8.007 0.110 1.002 1.00 0.36 C ATOM 1930 C LEU A 126 -8.823 0.252 2.290 1.00 0.57 C ATOM 1931 O LEU A 126 -10.056 0.168 2.251 1.00 -0.57 O ATOM 1932 CB LEU A 126 -7.748 -1.388 0.726 1.00 0.00 C ATOM 1933 CG LEU A 126 -7.873 -1.856 -0.732 1.00 0.00 C ATOM 1934 CD1 LEU A 126 -9.183 -1.375 -1.362 1.00 0.00 C ATOM 1935 CD2 LEU A 126 -6.695 -1.447 -1.616 1.00 0.00 C ATOM 0 H LEU A 126 -5.921 0.247 1.057 1.00 -0.73 H new ATOM 0 HA LEU A 126 -8.583 0.542 0.183 1.00 0.36 H new ATOM 0 HB2 LEU A 126 -6.744 -1.629 1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -8.444 -1.970 1.330 1.00 0.00 H new ATOM 0 HG LEU A 126 -7.869 -2.945 -0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -9.240 -1.723 -2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -10.026 -1.773 -0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -9.217 -0.286 -1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -6.856 -1.814 -2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -6.612 -0.360 -1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.775 -1.875 -1.218 1.00 0.00 H new ATOM 1947 N GLY A 127 -8.152 0.436 3.429 1.00 -0.73 N ATOM 1948 CA GLY A 127 -8.824 0.494 4.708 1.00 0.36 C ATOM 1949 C GLY A 127 -7.947 0.066 5.861 1.00 0.57 C ATOM 1950 O GLY A 127 -8.345 -0.833 6.590 1.00 -0.57 O ATOM 0 H GLY A 127 -7.139 0.547 3.481 1.00 -0.73 H new ATOM 0 HA2 GLY A 127 -9.171 1.512 4.883 1.00 0.36 H new ATOM 0 HA3 GLY A 127 -9.708 -0.143 4.676 1.00 0.36 H new ATOM 1954 N MET A 128 -6.785 0.706 6.036 1.00 -0.73 N ATOM 1955 CA MET A 128 -5.854 0.401 7.117 1.00 0.36 C ATOM 1956 C MET A 128 -5.581 -1.116 7.217 1.00 0.57 C ATOM 1957 O MET A 128 -5.651 -1.832 6.219 1.00 -0.57 O ATOM 1958 CB MET A 128 -6.393 1.032 8.414 1.00 0.00 C ATOM 1959 CG MET A 128 -6.095 2.517 8.516 1.00 0.23 C ATOM 1960 SD MET A 128 -4.340 2.800 8.873 1.00 -0.46 S ATOM 1961 CE MET A 128 -3.901 3.872 7.492 1.00 0.23 C ATOM 0 H MET A 128 -6.466 1.456 5.423 1.00 -0.73 H new ATOM 0 HA MET A 128 -4.876 0.839 6.917 1.00 0.36 H new ATOM 0 HB2 MET A 128 -7.471 0.878 8.466 1.00 0.00 H new ATOM 0 HB3 MET A 128 -5.956 0.519 9.271 1.00 0.00 H new ATOM 0 HG2 MET A 128 -6.365 3.011 7.583 1.00 0.23 H new ATOM 0 HG3 MET A 128 -6.707 2.962 9.301 1.00 0.23 H new ATOM 0 HE1 MET A 128 -2.893 3.634 7.153 1.00 0.23 H new ATOM 0 HE2 MET A 128 -4.605 3.718 6.674 1.00 0.23 H new ATOM 0 HE3 MET A 128 -3.940 4.913 7.813 1.00 0.23 H new ATOM 1971 N GLY A 129 -5.172 -1.591 8.397 1.00 -0.73 N ATOM 1972 CA GLY A 129 -4.985 -3.001 8.679 1.00 0.36 C ATOM 1973 C GLY A 129 -3.502 -3.276 8.818 1.00 0.57 C ATOM 1974 O GLY A 129 -2.884 -3.688 7.852 1.00 -0.57 O ATOM 0 H GLY A 129 -4.960 -0.988 9.192 1.00 -0.73 H new ATOM 0 HA2 GLY A 129 -5.508 -3.276 9.595 1.00 0.36 H new ATOM 0 HA3 GLY A 129 -5.408 -3.606 7.877 1.00 0.36 H new ATOM 1978 N HIS A 130 -2.922 -2.993 9.988 1.00 -0.73 N ATOM 1979 CA HIS A 130 -1.535 -3.347 10.305 1.00 0.36 C ATOM 1980 C HIS A 130 -1.496 -4.694 11.042 1.00 0.57 C ATOM 1981 O HIS A 130 -2.546 -5.188 11.460 1.00 -0.57 O ATOM 1982 CB HIS A 130 -0.900 -2.230 11.156 1.00 0.17 C ATOM 1983 CG HIS A 130 0.272 -1.498 10.554 1.00 0.18 C ATOM 1984 ND1 HIS A 130 0.658 -0.229 10.921 1.00 -0.70 N ATOM 1985 CD2 HIS A 130 1.160 -1.929 9.602 1.00 0.20 C ATOM 1986 CE1 HIS A 130 1.733 0.104 10.188 1.00 0.65 C ATOM 1987 NE2 HIS A 130 2.076 -0.905 9.376 1.00 -0.70 N ATOM 0 H HIS A 130 -3.404 -2.509 10.746 1.00 -0.73 H new ATOM 0 HA HIS A 130 -0.961 -3.448 9.384 1.00 0.36 H new ATOM 0 HB2 HIS A 130 -1.674 -1.499 11.388 1.00 0.17 H new ATOM 0 HB3 HIS A 130 -0.579 -2.665 12.102 1.00 0.17 H new ATOM 0 HD2 HIS A 130 1.151 -2.892 9.114 1.00 0.20 H new ATOM 0 HE1 HIS A 130 2.248 1.051 10.245 1.00 0.65 H new ATOM 0 HE2 HIS A 130 2.857 -0.920 8.720 1.00 -0.70 H new ATOM 1996 N SER A 131 -0.293 -5.238 11.259 1.00 -0.73 N ATOM 1997 CA SER A 131 -0.012 -6.499 11.939 1.00 0.36 C ATOM 1998 C SER A 131 1.451 -6.464 12.418 1.00 0.57 C ATOM 1999 O SER A 131 2.139 -5.460 12.233 1.00 -0.57 O ATOM 2000 CB SER A 131 -0.250 -7.670 10.964 1.00 0.28 C ATOM 2001 OG SER A 131 -1.519 -8.258 11.130 1.00 -0.68 O ATOM 0 H SER A 131 0.561 -4.777 10.943 1.00 -0.73 H new ATOM 0 HA SER A 131 -0.670 -6.638 12.797 1.00 0.36 H new ATOM 0 HB2 SER A 131 -0.150 -7.312 9.939 1.00 0.28 H new ATOM 0 HB3 SER A 131 0.520 -8.426 11.114 1.00 0.28 H new ATOM 0 HG SER A 131 -1.794 -8.684 10.291 1.00 -0.68 H new ATOM 2007 N SER A 132 1.914 -7.564 13.020 1.00 -0.73 N ATOM 2008 CA SER A 132 3.285 -7.819 13.438 1.00 0.36 C ATOM 2009 C SER A 132 3.475 -9.333 13.290 1.00 0.57 C ATOM 2010 O SER A 132 3.016 -10.072 14.156 1.00 -0.57 O ATOM 2011 CB SER A 132 3.492 -7.400 14.911 1.00 0.28 C ATOM 2012 OG SER A 132 3.986 -6.081 15.050 1.00 -0.68 O ATOM 0 H SER A 132 1.297 -8.346 13.240 1.00 -0.73 H new ATOM 0 HA SER A 132 4.001 -7.253 12.842 1.00 0.36 H new ATOM 0 HB2 SER A 132 2.544 -7.484 15.443 1.00 0.28 H new ATOM 0 HB3 SER A 132 4.187 -8.093 15.385 1.00 0.28 H new ATOM 0 HG SER A 132 4.095 -5.871 16.001 1.00 -0.68 H new ATOM 2018 N ASP A 133 4.094 -9.804 12.197 1.00 -0.73 N ATOM 2019 CA ASP A 133 4.501 -11.206 12.045 1.00 0.36 C ATOM 2020 C ASP A 133 5.817 -11.231 11.259 1.00 0.57 C ATOM 2021 O ASP A 133 5.934 -10.468 10.302 1.00 -0.57 O ATOM 2022 CB ASP A 133 3.441 -12.033 11.289 1.00 0.06 C ATOM 2023 CG ASP A 133 3.253 -13.423 11.892 1.00 0.66 C ATOM 2024 OD1 ASP A 133 2.748 -13.516 12.999 1.00 -0.57 O ATOM 2025 OD2 ASP A 133 3.585 -14.500 11.186 1.00 -0.65 O ATOM 0 H ASP A 133 4.326 -9.221 11.393 1.00 -0.73 H new ATOM 0 HA ASP A 133 4.618 -11.649 13.034 1.00 0.36 H new ATOM 0 HB2 ASP A 133 2.490 -11.501 11.304 1.00 0.06 H new ATOM 0 HB3 ASP A 133 3.736 -12.129 10.244 1.00 0.06 H new ATOM 2031 N PRO A 134 6.791 -12.103 11.575 1.00 -0.66 N ATOM 2032 CA PRO A 134 8.083 -12.137 10.887 1.00 0.36 C ATOM 2033 C PRO A 134 8.002 -12.665 9.440 1.00 0.57 C ATOM 2034 O PRO A 134 9.001 -12.640 8.720 1.00 -0.57 O ATOM 2035 CB PRO A 134 8.992 -12.995 11.771 1.00 0.00 C ATOM 2036 CG PRO A 134 8.045 -13.858 12.607 1.00 0.00 C ATOM 2037 CD PRO A 134 6.724 -13.094 12.632 1.00 0.30 C ATOM 0 HA PRO A 134 8.475 -11.128 10.762 1.00 0.36 H new ATOM 0 HB2 PRO A 134 9.658 -13.613 11.168 1.00 0.00 H new ATOM 0 HB3 PRO A 134 9.622 -12.374 12.407 1.00 0.00 H new ATOM 0 HG2 PRO A 134 7.920 -14.847 12.165 1.00 0.00 H new ATOM 0 HG3 PRO A 134 8.433 -14.006 13.615 1.00 0.00 H new ATOM 0 HD2 PRO A 134 5.884 -13.770 12.475 1.00 0.30 H new ATOM 0 HD3 PRO A 134 6.572 -12.617 13.600 1.00 0.30 H new ATOM 2045 N ASN A 135 6.817 -13.113 9.005 1.00 -0.73 N ATOM 2046 CA ASN A 135 6.559 -13.758 7.719 1.00 0.36 C ATOM 2047 C ASN A 135 5.420 -13.048 6.956 1.00 0.57 C ATOM 2048 O ASN A 135 4.904 -13.577 5.963 1.00 -0.57 O ATOM 2049 CB ASN A 135 6.286 -15.256 7.979 1.00 0.06 C ATOM 2050 CG ASN A 135 7.566 -16.093 7.936 1.00 0.57 C ATOM 2051 OD1 ASN A 135 8.469 -15.946 8.757 1.00 -0.57 O ATOM 2052 ND2 ASN A 135 7.676 -16.988 6.964 1.00 -0.80 N ATOM 0 H ASN A 135 5.973 -13.029 9.572 1.00 -0.73 H new ATOM 0 HA ASN A 135 7.428 -13.677 7.066 1.00 0.36 H new ATOM 0 HB2 ASN A 135 5.810 -15.373 8.953 1.00 0.06 H new ATOM 0 HB3 ASN A 135 5.584 -15.630 7.234 1.00 0.06 H new ATOM 0 HD21 ASN A 135 8.516 -17.563 6.892 1.00 -0.80 H new ATOM 0 HD22 ASN A 135 6.921 -17.102 6.288 1.00 -0.80 H new ATOM 2059 N ALA A 136 5.047 -11.841 7.404 1.00 -0.73 N ATOM 2060 CA ALA A 136 3.938 -11.038 6.902 1.00 0.36 C ATOM 2061 C ALA A 136 4.475 -9.843 6.122 1.00 0.57 C ATOM 2062 O ALA A 136 5.416 -9.207 6.589 1.00 -0.57 O ATOM 2063 CB ALA A 136 3.169 -10.523 8.121 1.00 0.00 C ATOM 0 H ALA A 136 5.542 -11.379 8.167 1.00 -0.73 H new ATOM 0 HA ALA A 136 3.302 -11.632 6.246 1.00 0.36 H new ATOM 0 HB1 ALA A 136 2.327 -9.915 7.790 1.00 0.00 H new ATOM 0 HB2 ALA A 136 2.800 -11.368 8.702 1.00 0.00 H new ATOM 0 HB3 ALA A 136 3.832 -9.919 8.741 1.00 0.00 H new ATOM 2069 N VAL A 137 3.843 -9.461 5.002 1.00 -0.73 N ATOM 2070 CA VAL A 137 4.184 -8.210 4.308 1.00 0.36 C ATOM 2071 C VAL A 137 3.896 -7.006 5.210 1.00 0.57 C ATOM 2072 O VAL A 137 4.545 -5.964 5.084 1.00 -0.57 O ATOM 2073 CB VAL A 137 3.438 -8.100 2.957 1.00 0.00 C ATOM 2074 CG1 VAL A 137 1.946 -7.804 3.135 1.00 0.00 C ATOM 2075 CG2 VAL A 137 4.010 -7.030 2.017 1.00 0.00 C ATOM 0 H VAL A 137 3.097 -9.997 4.559 1.00 -0.73 H new ATOM 0 HA VAL A 137 5.251 -8.218 4.086 1.00 0.36 H new ATOM 0 HB VAL A 137 3.581 -9.082 2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 137 1.469 -7.737 2.157 1.00 0.00 H new ATOM 0 HG12 VAL A 137 1.482 -8.605 3.710 1.00 0.00 H new ATOM 0 HG13 VAL A 137 1.823 -6.859 3.664 1.00 0.00 H new ATOM 0 HG21 VAL A 137 3.434 -7.013 1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 137 3.951 -6.054 2.498 1.00 0.00 H new ATOM 0 HG23 VAL A 137 5.051 -7.262 1.793 1.00 0.00 H new ATOM 2085 N MET A 138 2.912 -7.152 6.107 1.00 -0.73 N ATOM 2086 CA MET A 138 2.424 -6.093 6.966 1.00 0.36 C ATOM 2087 C MET A 138 3.373 -5.758 8.109 1.00 0.57 C ATOM 2088 O MET A 138 3.165 -4.745 8.780 1.00 -0.57 O ATOM 2089 CB MET A 138 1.081 -6.541 7.532 1.00 0.00 C ATOM 2090 CG MET A 138 0.215 -5.376 7.978 1.00 0.23 C ATOM 2091 SD MET A 138 -0.153 -4.222 6.631 1.00 -0.46 S ATOM 2092 CE MET A 138 -1.289 -5.274 5.683 1.00 0.23 C ATOM 0 H MET A 138 2.428 -8.038 6.250 1.00 -0.73 H new ATOM 0 HA MET A 138 2.335 -5.185 6.370 1.00 0.36 H new ATOM 0 HB2 MET A 138 0.547 -7.117 6.776 1.00 0.00 H new ATOM 0 HB3 MET A 138 1.252 -7.206 8.378 1.00 0.00 H new ATOM 0 HG2 MET A 138 -0.719 -5.759 8.388 1.00 0.23 H new ATOM 0 HG3 MET A 138 0.720 -4.840 8.782 1.00 0.23 H new ATOM 0 HE1 MET A 138 -1.847 -4.661 4.975 1.00 0.23 H new ATOM 0 HE2 MET A 138 -0.719 -6.028 5.140 1.00 0.23 H new ATOM 0 HE3 MET A 138 -1.984 -5.765 6.364 1.00 0.23 H new ATOM 2102 N TYR A 139 4.396 -6.591 8.342 1.00 -0.73 N ATOM 2103 CA TYR A 139 5.398 -6.314 9.353 1.00 0.36 C ATOM 2104 C TYR A 139 5.970 -4.900 9.135 1.00 0.57 C ATOM 2105 O TYR A 139 6.209 -4.505 7.988 1.00 -0.57 O ATOM 2106 CB TYR A 139 6.462 -7.425 9.357 1.00 0.14 C ATOM 2107 CG TYR A 139 7.694 -7.218 8.489 1.00 -0.14 C ATOM 2108 CD1 TYR A 139 7.578 -7.078 7.093 1.00 -0.15 C ATOM 2109 CD2 TYR A 139 8.964 -7.143 9.090 1.00 -0.15 C ATOM 2110 CE1 TYR A 139 8.717 -6.876 6.300 1.00 -0.15 C ATOM 2111 CE2 TYR A 139 10.114 -6.939 8.304 1.00 -0.15 C ATOM 2112 CZ TYR A 139 9.991 -6.824 6.902 1.00 0.08 C ATOM 2113 OH TYR A 139 11.098 -6.649 6.127 1.00 -0.53 O ATOM 0 H TYR A 139 4.543 -7.464 7.835 1.00 -0.73 H new ATOM 0 HA TYR A 139 4.955 -6.319 10.349 1.00 0.36 H new ATOM 0 HB2 TYR A 139 6.795 -7.569 10.385 1.00 0.14 H new ATOM 0 HB3 TYR A 139 5.982 -8.352 9.045 1.00 0.14 H new ATOM 0 HD1 TYR A 139 6.604 -7.127 6.629 1.00 -0.15 H new ATOM 0 HD2 TYR A 139 9.057 -7.243 10.161 1.00 -0.15 H new ATOM 0 HE1 TYR A 139 8.619 -6.761 5.231 1.00 -0.15 H new ATOM 0 HE2 TYR A 139 11.085 -6.871 8.771 1.00 -0.15 H new ATOM 0 HH TYR A 139 10.862 -6.125 5.333 1.00 -0.53 H new ATOM 2123 N PRO A 140 6.147 -4.102 10.201 1.00 -0.66 N ATOM 2124 CA PRO A 140 6.898 -2.862 10.117 1.00 0.36 C ATOM 2125 C PRO A 140 8.405 -3.180 10.021 1.00 0.57 C ATOM 2126 O PRO A 140 8.777 -4.331 9.841 1.00 -0.57 O ATOM 2127 CB PRO A 140 6.490 -2.078 11.368 1.00 0.00 C ATOM 2128 CG PRO A 140 6.097 -3.142 12.394 1.00 0.00 C ATOM 2129 CD PRO A 140 5.722 -4.371 11.566 1.00 0.30 C ATOM 0 HA PRO A 140 6.687 -2.264 9.230 1.00 0.36 H new ATOM 0 HB2 PRO A 140 7.312 -1.463 11.733 1.00 0.00 H new ATOM 0 HB3 PRO A 140 5.658 -1.406 11.158 1.00 0.00 H new ATOM 0 HG2 PRO A 140 6.922 -3.360 13.072 1.00 0.00 H new ATOM 0 HG3 PRO A 140 5.260 -2.809 13.007 1.00 0.00 H new ATOM 0 HD2 PRO A 140 6.212 -5.264 11.955 1.00 0.30 H new ATOM 0 HD3 PRO A 140 4.648 -4.553 11.608 1.00 0.30 H new ATOM 2137 N THR A 141 9.264 -2.166 10.156 1.00 -0.73 N ATOM 2138 CA THR A 141 10.726 -2.300 10.254 1.00 0.36 C ATOM 2139 C THR A 141 11.357 -3.176 9.151 1.00 0.57 C ATOM 2140 O THR A 141 11.677 -4.342 9.362 1.00 -0.57 O ATOM 2141 CB THR A 141 11.168 -2.668 11.691 1.00 0.28 C ATOM 2142 OG1 THR A 141 10.647 -3.881 12.182 1.00 -0.68 O ATOM 2143 CG2 THR A 141 10.786 -1.575 12.694 1.00 0.00 C ATOM 0 H THR A 141 8.954 -1.195 10.202 1.00 -0.73 H new ATOM 0 HA THR A 141 11.140 -1.312 10.051 1.00 0.36 H new ATOM 0 HB THR A 141 12.249 -2.776 11.601 1.00 0.28 H new ATOM 0 HG1 THR A 141 10.740 -4.577 11.499 1.00 -0.68 H new ATOM 0 HG21 THR A 141 11.112 -1.867 13.692 1.00 0.00 H new ATOM 0 HG22 THR A 141 11.270 -0.639 12.414 1.00 0.00 H new ATOM 0 HG23 THR A 141 9.704 -1.440 12.690 1.00 0.00 H new ATOM 2151 N TYR A 142 11.535 -2.585 7.958 1.00 -0.73 N ATOM 2152 CA TYR A 142 12.013 -3.249 6.741 1.00 0.36 C ATOM 2153 C TYR A 142 13.372 -3.949 6.908 1.00 0.57 C ATOM 2154 O TYR A 142 14.430 -3.341 6.735 1.00 -0.57 O ATOM 2155 CB TYR A 142 12.026 -2.244 5.579 1.00 0.14 C ATOM 2156 CG TYR A 142 11.945 -2.863 4.198 1.00 -0.14 C ATOM 2157 CD1 TYR A 142 10.835 -3.663 3.853 1.00 -0.15 C ATOM 2158 CD2 TYR A 142 12.926 -2.569 3.230 1.00 -0.15 C ATOM 2159 CE1 TYR A 142 10.682 -4.127 2.537 1.00 -0.15 C ATOM 2160 CE2 TYR A 142 12.774 -3.024 1.911 1.00 -0.15 C ATOM 2161 CZ TYR A 142 11.624 -3.761 1.550 1.00 0.08 C ATOM 2162 OH TYR A 142 11.401 -4.084 0.247 1.00 -0.53 O ATOM 0 H TYR A 142 11.342 -1.594 7.813 1.00 -0.73 H new ATOM 0 HA TYR A 142 11.314 -4.054 6.516 1.00 0.36 H new ATOM 0 HB2 TYR A 142 11.189 -1.557 5.703 1.00 0.14 H new ATOM 0 HB3 TYR A 142 12.938 -1.650 5.642 1.00 0.14 H new ATOM 0 HD1 TYR A 142 10.101 -3.919 4.603 1.00 -0.15 H new ATOM 0 HD2 TYR A 142 13.797 -1.992 3.504 1.00 -0.15 H new ATOM 0 HE1 TYR A 142 9.847 -4.762 2.280 1.00 -0.15 H new ATOM 0 HE2 TYR A 142 13.534 -2.811 1.174 1.00 -0.15 H new ATOM 0 HH TYR A 142 10.774 -3.442 -0.146 1.00 -0.53 H new ATOM 2172 N GLY A 143 13.328 -5.240 7.239 1.00 -0.73 N ATOM 2173 CA GLY A 143 14.474 -6.090 7.496 1.00 0.36 C ATOM 2174 C GLY A 143 14.077 -7.208 8.460 1.00 0.57 C ATOM 2175 O GLY A 143 13.840 -6.933 9.631 1.00 -0.57 O ATOM 0 H GLY A 143 12.444 -5.739 7.338 1.00 -0.73 H new ATOM 0 HA2 GLY A 143 14.841 -6.515 6.562 1.00 0.36 H new ATOM 0 HA3 GLY A 143 15.288 -5.502 7.920 1.00 0.36 H new ATOM 2179 N ASN A 144 14.007 -8.457 7.978 1.00 -0.73 N ATOM 2180 CA ASN A 144 13.851 -9.685 8.779 1.00 0.36 C ATOM 2181 C ASN A 144 14.064 -10.895 7.864 1.00 0.57 C ATOM 2182 O ASN A 144 14.863 -11.778 8.167 1.00 -0.57 O ATOM 2183 CB ASN A 144 12.444 -9.806 9.413 1.00 0.06 C ATOM 2184 CG ASN A 144 12.328 -9.183 10.807 1.00 0.57 C ATOM 2185 OD1 ASN A 144 13.149 -9.389 11.693 1.00 -0.57 O ATOM 2186 ND2 ASN A 144 11.283 -8.405 11.049 1.00 -0.80 N ATOM 0 H ASN A 144 14.059 -8.650 6.978 1.00 -0.73 H new ATOM 0 HA ASN A 144 14.583 -9.646 9.585 1.00 0.36 H new ATOM 0 HB2 ASN A 144 11.718 -9.330 8.753 1.00 0.06 H new ATOM 0 HB3 ASN A 144 12.175 -10.861 9.475 1.00 0.06 H new ATOM 0 HD21 ASN A 144 11.165 -7.981 11.969 1.00 -0.80 H new ATOM 0 HD22 ASN A 144 10.597 -8.230 10.315 1.00 -0.80 H new ATOM 2193 N GLY A 145 13.357 -10.902 6.726 1.00 -0.73 N ATOM 2194 CA GLY A 145 13.362 -11.972 5.734 1.00 0.36 C ATOM 2195 C GLY A 145 13.878 -11.422 4.411 1.00 0.57 C ATOM 2196 O GLY A 145 14.980 -10.881 4.377 1.00 -0.57 O ATOM 0 H GLY A 145 12.744 -10.130 6.466 1.00 -0.73 H new ATOM 0 HA2 GLY A 145 13.993 -12.794 6.071 1.00 0.36 H new ATOM 0 HA3 GLY A 145 12.356 -12.373 5.608 1.00 0.36 H new ATOM 2200 N ASP A 146 13.082 -11.533 3.342 1.00 -0.73 N ATOM 2201 CA ASP A 146 13.417 -11.008 2.023 1.00 0.36 C ATOM 2202 C ASP A 146 12.119 -10.558 1.328 1.00 0.57 C ATOM 2203 O ASP A 146 11.184 -11.358 1.223 1.00 -0.57 O ATOM 2204 CB ASP A 146 14.150 -12.077 1.195 1.00 0.06 C ATOM 2205 CG ASP A 146 14.772 -11.505 -0.086 1.00 0.66 C ATOM 2206 OD1 ASP A 146 14.195 -10.589 -0.648 1.00 -0.57 O ATOM 2207 OD2 ASP A 146 15.945 -11.995 -0.478 1.00 -0.65 O ATOM 0 H ASP A 146 12.175 -11.998 3.374 1.00 -0.73 H new ATOM 0 HA ASP A 146 14.086 -10.153 2.119 1.00 0.36 H new ATOM 0 HB2 ASP A 146 14.932 -12.530 1.804 1.00 0.06 H new ATOM 0 HB3 ASP A 146 13.451 -12.871 0.932 1.00 0.06 H new ATOM 2213 N PRO A 147 12.013 -9.291 0.882 1.00 -0.66 N ATOM 2214 CA PRO A 147 10.854 -8.775 0.164 1.00 0.36 C ATOM 2215 C PRO A 147 10.829 -9.133 -1.330 1.00 0.57 C ATOM 2216 O PRO A 147 9.830 -8.874 -2.003 1.00 -0.57 O ATOM 2217 CB PRO A 147 10.909 -7.260 0.356 1.00 0.00 C ATOM 2218 CG PRO A 147 12.404 -6.975 0.494 1.00 0.00 C ATOM 2219 CD PRO A 147 12.980 -8.234 1.116 1.00 0.30 C ATOM 0 HA PRO A 147 9.944 -9.227 0.559 1.00 0.36 H new ATOM 0 HB2 PRO A 147 10.476 -6.731 -0.493 1.00 0.00 H new ATOM 0 HB3 PRO A 147 10.357 -6.947 1.242 1.00 0.00 H new ATOM 0 HG2 PRO A 147 12.859 -6.768 -0.475 1.00 0.00 H new ATOM 0 HG3 PRO A 147 12.585 -6.104 1.124 1.00 0.00 H new ATOM 0 HD2 PRO A 147 13.942 -8.483 0.668 1.00 0.30 H new ATOM 0 HD3 PRO A 147 13.152 -8.095 2.183 1.00 0.30 H new ATOM 2227 N GLN A 148 11.892 -9.714 -1.889 1.00 -0.73 N ATOM 2228 CA GLN A 148 11.885 -10.187 -3.269 1.00 0.36 C ATOM 2229 C GLN A 148 10.920 -11.377 -3.433 1.00 0.57 C ATOM 2230 O GLN A 148 10.364 -11.554 -4.521 1.00 -0.57 O ATOM 2231 CB GLN A 148 13.326 -10.537 -3.666 1.00 0.00 C ATOM 2232 CG GLN A 148 13.503 -10.888 -5.146 1.00 0.06 C ATOM 2233 CD GLN A 148 14.946 -11.301 -5.432 1.00 0.57 C ATOM 2234 OE1 GLN A 148 15.811 -10.472 -5.694 1.00 -0.57 O ATOM 2235 NE2 GLN A 148 15.227 -12.597 -5.389 1.00 -0.80 N ATOM 0 H GLN A 148 12.774 -9.868 -1.400 1.00 -0.73 H new ATOM 0 HA GLN A 148 11.520 -9.408 -3.938 1.00 0.36 H new ATOM 0 HB2 GLN A 148 13.972 -9.693 -3.425 1.00 0.00 H new ATOM 0 HB3 GLN A 148 13.663 -11.379 -3.062 1.00 0.00 H new ATOM 0 HG2 GLN A 148 12.827 -11.699 -5.416 1.00 0.06 H new ATOM 0 HG3 GLN A 148 13.235 -10.030 -5.763 1.00 0.06 H new ATOM 0 HE21 GLN A 148 14.494 -13.271 -5.169 1.00 -0.80 H new ATOM 0 HE22 GLN A 148 16.177 -12.919 -5.576 1.00 -0.80 H new ATOM 2244 N ASN A 149 10.686 -12.153 -2.359 1.00 -0.73 N ATOM 2245 CA ASN A 149 9.837 -13.347 -2.351 1.00 0.36 C ATOM 2246 C ASN A 149 8.592 -13.137 -1.478 1.00 0.57 C ATOM 2247 O ASN A 149 8.518 -13.586 -0.325 1.00 -0.57 O ATOM 2248 CB ASN A 149 10.629 -14.644 -2.062 1.00 0.06 C ATOM 2249 CG ASN A 149 11.593 -14.647 -0.875 1.00 0.57 C ATOM 2250 OD1 ASN A 149 12.770 -14.945 -1.049 1.00 -0.57 O ATOM 2251 ND2 ASN A 149 11.125 -14.367 0.330 1.00 -0.80 N ATOM 0 H ASN A 149 11.098 -11.956 -1.447 1.00 -0.73 H new ATOM 0 HA ASN A 149 9.459 -13.500 -3.362 1.00 0.36 H new ATOM 0 HB2 ASN A 149 9.909 -15.448 -1.909 1.00 0.06 H new ATOM 0 HB3 ASN A 149 11.200 -14.893 -2.957 1.00 0.06 H new ATOM 0 HD21 ASN A 149 11.747 -14.396 1.138 1.00 -0.80 H new ATOM 0 HD22 ASN A 149 10.142 -14.122 0.451 1.00 -0.80 H new ATOM 2258 N PHE A 150 7.598 -12.455 -2.065 1.00 -0.73 N ATOM 2259 CA PHE A 150 6.339 -12.076 -1.432 1.00 0.36 C ATOM 2260 C PHE A 150 5.192 -12.219 -2.440 1.00 0.57 C ATOM 2261 O PHE A 150 5.409 -12.044 -3.642 1.00 -0.57 O ATOM 2262 CB PHE A 150 6.450 -10.626 -0.942 1.00 0.14 C ATOM 2263 CG PHE A 150 6.013 -9.574 -1.951 1.00 -0.14 C ATOM 2264 CD1 PHE A 150 6.787 -9.318 -3.103 1.00 -0.15 C ATOM 2265 CD2 PHE A 150 4.819 -8.857 -1.742 1.00 -0.15 C ATOM 2266 CE1 PHE A 150 6.360 -8.368 -4.046 1.00 -0.15 C ATOM 2267 CE2 PHE A 150 4.390 -7.916 -2.689 1.00 -0.15 C ATOM 2268 CZ PHE A 150 5.155 -7.675 -3.842 1.00 -0.15 C ATOM 0 H PHE A 150 7.658 -12.142 -3.034 1.00 -0.73 H new ATOM 0 HA PHE A 150 6.133 -12.727 -0.583 1.00 0.36 H new ATOM 0 HB2 PHE A 150 5.848 -10.516 -0.040 1.00 0.14 H new ATOM 0 HB3 PHE A 150 7.485 -10.431 -0.661 1.00 0.14 H new ATOM 0 HD1 PHE A 150 7.711 -9.854 -3.260 1.00 -0.15 H new ATOM 0 HD2 PHE A 150 4.233 -9.032 -0.852 1.00 -0.15 H new ATOM 0 HE1 PHE A 150 6.956 -8.171 -4.925 1.00 -0.15 H new ATOM 0 HE2 PHE A 150 3.469 -7.375 -2.531 1.00 -0.15 H new ATOM 0 HZ PHE A 150 4.816 -6.956 -4.573 1.00 -0.15 H new ATOM 2278 N LYS A 151 3.988 -12.562 -1.957 1.00 -0.73 N ATOM 2279 CA LYS A 151 2.790 -12.769 -2.781 1.00 0.36 C ATOM 2280 C LYS A 151 1.546 -13.012 -1.905 1.00 0.57 C ATOM 2281 O LYS A 151 0.795 -13.952 -2.160 1.00 -0.57 O ATOM 2282 CB LYS A 151 2.992 -13.892 -3.831 1.00 0.00 C ATOM 2283 CG LYS A 151 3.406 -15.261 -3.255 1.00 0.00 C ATOM 2284 CD LYS A 151 4.923 -15.522 -3.164 1.00 0.00 C ATOM 2285 CE LYS A 151 5.400 -16.562 -4.183 1.00 0.50 C ATOM 2286 NZ LYS A 151 5.819 -15.947 -5.458 1.00 -0.85 N ATOM 0 H LYS A 151 3.818 -12.706 -0.962 1.00 -0.73 H new ATOM 0 HA LYS A 151 2.618 -11.850 -3.342 1.00 0.36 H new ATOM 0 HB2 LYS A 151 2.065 -14.016 -4.390 1.00 0.00 H new ATOM 0 HB3 LYS A 151 3.752 -13.570 -4.543 1.00 0.00 H new ATOM 0 HG2 LYS A 151 2.980 -15.357 -2.256 1.00 0.00 H new ATOM 0 HG3 LYS A 151 2.959 -16.042 -3.869 1.00 0.00 H new ATOM 0 HD2 LYS A 151 5.460 -14.587 -3.325 1.00 0.00 H new ATOM 0 HD3 LYS A 151 5.170 -15.863 -2.159 1.00 0.00 H new ATOM 0 HE2 LYS A 151 6.234 -17.124 -3.762 1.00 0.50 H new ATOM 0 HE3 LYS A 151 4.598 -17.276 -4.373 1.00 0.50 H new ATOM 0 HZ1 LYS A 151 6.133 -16.690 -6.115 1.00 -0.85 H new ATOM 0 HZ2 LYS A 151 5.017 -15.432 -5.875 1.00 -0.85 H new ATOM 0 HZ3 LYS A 151 6.602 -15.285 -5.283 1.00 -0.85 H new ATOM 2300 N LEU A 152 1.345 -12.169 -0.879 1.00 -0.73 N ATOM 2301 CA LEU A 152 0.227 -12.246 0.064 1.00 0.36 C ATOM 2302 C LEU A 152 0.242 -13.574 0.857 1.00 0.57 C ATOM 2303 O LEU A 152 -0.461 -14.517 0.507 1.00 -0.57 O ATOM 2304 CB LEU A 152 -1.130 -11.930 -0.628 1.00 0.00 C ATOM 2305 CG LEU A 152 -1.263 -10.499 -1.219 1.00 0.00 C ATOM 2306 CD1 LEU A 152 -0.865 -10.419 -2.695 1.00 0.00 C ATOM 2307 CD2 LEU A 152 -2.685 -9.934 -1.077 1.00 0.00 C ATOM 0 H LEU A 152 1.977 -11.393 -0.681 1.00 -0.73 H new ATOM 0 HA LEU A 152 0.356 -11.463 0.812 1.00 0.36 H new ATOM 0 HB2 LEU A 152 -1.285 -12.651 -1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -1.931 -12.081 0.096 1.00 0.00 H new ATOM 0 HG LEU A 152 -0.569 -9.899 -0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -0.980 -9.394 -3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 152 0.174 -10.727 -2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -1.505 -11.078 -3.281 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -2.723 -8.933 -1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -3.388 -10.581 -1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -2.954 -9.887 -0.022 1.00 0.00 H new ATOM 2319 N SER A 153 1.096 -13.668 1.895 1.00 -0.73 N ATOM 2320 CA SER A 153 1.347 -14.899 2.665 1.00 0.36 C ATOM 2321 C SER A 153 0.121 -15.418 3.446 1.00 0.57 C ATOM 2322 O SER A 153 -0.588 -16.288 2.947 1.00 -0.57 O ATOM 2323 CB SER A 153 2.543 -14.711 3.616 1.00 0.28 C ATOM 2324 OG SER A 153 3.755 -14.446 2.946 1.00 -0.68 O ATOM 0 H SER A 153 1.641 -12.873 2.227 1.00 -0.73 H new ATOM 0 HA SER A 153 1.578 -15.664 1.924 1.00 0.36 H new ATOM 0 HB2 SER A 153 2.328 -13.890 4.300 1.00 0.28 H new ATOM 0 HB3 SER A 153 2.660 -15.609 4.222 1.00 0.28 H new ATOM 0 HG SER A 153 4.474 -14.335 3.602 1.00 -0.68 H new ATOM 2330 N GLN A 154 -0.111 -14.931 4.678 1.00 -0.73 N ATOM 2331 CA GLN A 154 -1.233 -15.327 5.541 1.00 0.36 C ATOM 2332 C GLN A 154 -1.819 -14.102 6.231 1.00 0.57 C ATOM 2333 O GLN A 154 -3.032 -13.936 6.218 1.00 -0.57 O ATOM 2334 CB GLN A 154 -0.820 -16.308 6.650 1.00 0.00 C ATOM 2335 CG GLN A 154 -0.250 -17.658 6.180 1.00 0.06 C ATOM 2336 CD GLN A 154 1.238 -17.834 6.500 1.00 0.57 C ATOM 2337 OE1 GLN A 154 1.744 -17.343 7.501 1.00 -0.57 O ATOM 2338 NE2 GLN A 154 1.977 -18.551 5.663 1.00 -0.80 N ATOM 0 H GLN A 154 0.494 -14.233 5.110 1.00 -0.73 H new ATOM 0 HA GLN A 154 -1.956 -15.813 4.885 1.00 0.36 H new ATOM 0 HB2 GLN A 154 -0.075 -15.821 7.279 1.00 0.00 H new ATOM 0 HB3 GLN A 154 -1.690 -16.502 7.278 1.00 0.00 H new ATOM 0 HG2 GLN A 154 -0.813 -18.465 6.649 1.00 0.06 H new ATOM 0 HG3 GLN A 154 -0.396 -17.751 5.104 1.00 0.06 H new ATOM 0 HE21 GLN A 154 1.553 -18.959 4.830 1.00 -0.80 H new ATOM 0 HE22 GLN A 154 2.969 -18.694 5.853 1.00 -0.80 H new ATOM 2347 N ASP A 155 -0.967 -13.232 6.787 1.00 -0.73 N ATOM 2348 CA ASP A 155 -1.357 -11.936 7.337 1.00 0.36 C ATOM 2349 C ASP A 155 -2.171 -11.143 6.320 1.00 0.57 C ATOM 2350 O ASP A 155 -3.233 -10.637 6.669 1.00 -0.57 O ATOM 2351 CB ASP A 155 -0.087 -11.190 7.758 1.00 0.06 C ATOM 2352 CG ASP A 155 -0.094 -9.712 7.378 1.00 0.66 C ATOM 2353 OD1 ASP A 155 0.569 -9.410 6.399 1.00 -0.57 O ATOM 2354 OD2 ASP A 155 -0.775 -8.894 8.176 1.00 -0.65 O ATOM 0 H ASP A 155 0.033 -13.417 6.867 1.00 -0.73 H new ATOM 0 HA ASP A 155 -1.996 -12.072 8.210 1.00 0.36 H new ATOM 0 HB2 ASP A 155 0.036 -11.279 8.837 1.00 0.06 H new ATOM 0 HB3 ASP A 155 0.776 -11.671 7.298 1.00 0.06 H new ATOM 2360 N ASP A 156 -1.707 -11.105 5.065 1.00 -0.73 N ATOM 2361 CA ASP A 156 -2.415 -10.430 3.992 1.00 0.36 C ATOM 2362 C ASP A 156 -3.798 -11.039 3.819 1.00 0.57 C ATOM 2363 O ASP A 156 -4.778 -10.315 3.906 1.00 -0.57 O ATOM 2364 CB ASP A 156 -1.635 -10.556 2.678 1.00 0.06 C ATOM 2365 CG ASP A 156 -1.161 -9.226 2.108 1.00 0.66 C ATOM 2366 OD1 ASP A 156 -0.086 -9.266 1.532 1.00 -0.57 O ATOM 2367 OD2 ASP A 156 -1.947 -8.158 2.216 1.00 -0.65 O ATOM 0 H ASP A 156 -0.833 -11.542 4.774 1.00 -0.73 H new ATOM 0 HA ASP A 156 -2.512 -9.375 4.250 1.00 0.36 H new ATOM 0 HB2 ASP A 156 -0.770 -11.198 2.841 1.00 0.06 H new ATOM 0 HB3 ASP A 156 -2.265 -11.052 1.940 1.00 0.06 H new ATOM 2373 N ILE A 157 -3.882 -12.367 3.642 1.00 -0.73 N ATOM 2374 CA ILE A 157 -5.137 -13.094 3.455 1.00 0.36 C ATOM 2375 C ILE A 157 -6.076 -12.838 4.642 1.00 0.57 C ATOM 2376 O ILE A 157 -7.256 -12.544 4.449 1.00 -0.57 O ATOM 2377 CB ILE A 157 -4.828 -14.604 3.193 1.00 0.00 C ATOM 2378 CG1 ILE A 157 -5.102 -14.969 1.717 1.00 0.00 C ATOM 2379 CG2 ILE A 157 -5.594 -15.603 4.083 1.00 0.00 C ATOM 2380 CD1 ILE A 157 -4.067 -14.388 0.749 1.00 0.00 C ATOM 0 H ILE A 157 -3.061 -12.972 3.625 1.00 -0.73 H new ATOM 0 HA ILE A 157 -5.669 -12.732 2.575 1.00 0.36 H new ATOM 0 HB ILE A 157 -3.773 -14.703 3.448 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -5.117 -16.054 1.615 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -6.092 -14.609 1.438 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -5.306 -16.621 3.819 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -5.352 -15.417 5.130 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -6.666 -15.478 3.931 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -4.317 -14.681 -0.270 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -4.068 -13.301 0.824 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -3.078 -14.768 1.003 1.00 0.00 H new ATOM 2392 N LYS A 158 -5.552 -12.923 5.869 1.00 -0.73 N ATOM 2393 CA LYS A 158 -6.297 -12.753 7.105 1.00 0.36 C ATOM 2394 C LYS A 158 -6.801 -11.321 7.200 1.00 0.57 C ATOM 2395 O LYS A 158 -7.976 -11.105 7.492 1.00 -0.57 O ATOM 2396 CB LYS A 158 -5.381 -13.141 8.284 1.00 0.00 C ATOM 2397 CG LYS A 158 -6.095 -13.164 9.642 1.00 0.00 C ATOM 2398 CD LYS A 158 -6.055 -11.830 10.405 1.00 0.00 C ATOM 2399 CE LYS A 158 -7.150 -11.853 11.473 1.00 0.50 C ATOM 2400 NZ LYS A 158 -6.701 -11.348 12.789 1.00 -0.85 N ATOM 0 H LYS A 158 -4.563 -13.119 6.026 1.00 -0.73 H new ATOM 0 HA LYS A 158 -7.173 -13.401 7.132 1.00 0.36 H new ATOM 0 HB2 LYS A 158 -4.954 -14.125 8.092 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -4.550 -12.437 8.333 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -7.136 -13.448 9.486 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -5.643 -13.937 10.263 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -5.078 -11.686 10.866 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -6.210 -10.996 9.720 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -7.993 -11.253 11.131 1.00 0.50 H new ATOM 0 HE3 LYS A 158 -7.512 -12.875 11.589 1.00 0.50 H new ATOM 0 HZ1 LYS A 158 -7.490 -11.391 13.465 1.00 -0.85 H new ATOM 0 HZ2 LYS A 158 -5.915 -11.934 13.136 1.00 -0.85 H new ATOM 0 HZ3 LYS A 158 -6.381 -10.363 12.692 1.00 -0.85 H new ATOM 2414 N GLY A 159 -5.920 -10.354 6.944 1.00 -0.73 N ATOM 2415 CA GLY A 159 -6.218 -8.940 6.968 1.00 0.36 C ATOM 2416 C GLY A 159 -7.258 -8.612 5.910 1.00 0.57 C ATOM 2417 O GLY A 159 -8.230 -7.947 6.238 1.00 -0.57 O ATOM 0 H GLY A 159 -4.948 -10.551 6.707 1.00 -0.73 H new ATOM 0 HA2 GLY A 159 -6.586 -8.654 7.953 1.00 0.36 H new ATOM 0 HA3 GLY A 159 -5.310 -8.365 6.788 1.00 0.36 H new ATOM 2421 N ILE A 160 -7.117 -9.142 4.689 1.00 -0.73 N ATOM 2422 CA ILE A 160 -8.091 -8.992 3.613 1.00 0.36 C ATOM 2423 C ILE A 160 -9.449 -9.543 4.047 1.00 0.57 C ATOM 2424 O ILE A 160 -10.449 -8.829 3.964 1.00 -0.57 O ATOM 2425 CB ILE A 160 -7.551 -9.626 2.299 1.00 0.00 C ATOM 2426 CG1 ILE A 160 -7.097 -8.544 1.302 1.00 0.00 C ATOM 2427 CG2 ILE A 160 -8.459 -10.650 1.605 1.00 0.00 C ATOM 2428 CD1 ILE A 160 -8.214 -7.611 0.826 1.00 0.00 C ATOM 0 H ILE A 160 -6.305 -9.697 4.421 1.00 -0.73 H new ATOM 0 HA ILE A 160 -8.244 -7.934 3.398 1.00 0.36 H new ATOM 0 HB ILE A 160 -6.697 -10.213 2.637 1.00 0.00 H new ATOM 0 HG12 ILE A 160 -6.314 -7.945 1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 160 -6.653 -9.031 0.434 1.00 0.00 H new ATOM 0 HG21 ILE A 160 -7.970 -11.017 0.703 1.00 0.00 H new ATOM 0 HG22 ILE A 160 -8.649 -11.484 2.280 1.00 0.00 H new ATOM 0 HG23 ILE A 160 -9.404 -10.177 1.339 1.00 0.00 H new ATOM 0 HD11 ILE A 160 -7.805 -6.881 0.127 1.00 0.00 H new ATOM 0 HD12 ILE A 160 -8.989 -8.195 0.329 1.00 0.00 H new ATOM 0 HD13 ILE A 160 -8.644 -7.092 1.683 1.00 0.00 H new ATOM 2440 N GLN A 161 -9.484 -10.777 4.558 1.00 -0.73 N ATOM 2441 CA GLN A 161 -10.712 -11.405 5.026 1.00 0.36 C ATOM 2442 C GLN A 161 -11.347 -10.563 6.133 1.00 0.57 C ATOM 2443 O GLN A 161 -12.563 -10.395 6.171 1.00 -0.57 O ATOM 2444 CB GLN A 161 -10.433 -12.853 5.479 1.00 0.00 C ATOM 2445 CG GLN A 161 -10.741 -13.881 4.373 1.00 0.06 C ATOM 2446 CD GLN A 161 -12.245 -14.142 4.220 1.00 0.57 C ATOM 2447 OE1 GLN A 161 -13.077 -13.375 4.688 1.00 -0.57 O ATOM 2448 NE2 GLN A 161 -12.637 -15.253 3.609 1.00 -0.80 N ATOM 0 H GLN A 161 -8.657 -11.366 4.657 1.00 -0.73 H new ATOM 0 HA GLN A 161 -11.429 -11.456 4.206 1.00 0.36 H new ATOM 0 HB2 GLN A 161 -9.388 -12.944 5.776 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -11.035 -13.078 6.359 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -10.339 -13.523 3.425 1.00 0.06 H new ATOM 0 HG3 GLN A 161 -10.234 -14.818 4.600 1.00 0.06 H new ATOM 0 HE21 GLN A 161 -11.944 -15.892 3.219 1.00 -0.80 H new ATOM 0 HE22 GLN A 161 -13.631 -15.468 3.529 1.00 -0.80 H new ATOM 2457 N LYS A 162 -10.534 -9.969 7.011 1.00 -0.73 N ATOM 2458 CA LYS A 162 -11.033 -9.070 8.037 1.00 0.36 C ATOM 2459 C LYS A 162 -11.524 -7.735 7.443 1.00 0.57 C ATOM 2460 O LYS A 162 -12.578 -7.263 7.870 1.00 -0.57 O ATOM 2461 CB LYS A 162 -9.942 -8.884 9.101 1.00 0.00 C ATOM 2462 CG LYS A 162 -10.550 -8.530 10.463 1.00 0.00 C ATOM 2463 CD LYS A 162 -10.521 -9.664 11.493 1.00 0.00 C ATOM 2464 CE LYS A 162 -11.847 -9.812 12.253 1.00 0.50 C ATOM 2465 NZ LYS A 162 -12.600 -11.001 11.803 1.00 -0.85 N ATOM 0 H LYS A 162 -9.523 -10.100 7.025 1.00 -0.73 H new ATOM 0 HA LYS A 162 -11.910 -9.509 8.512 1.00 0.36 H new ATOM 0 HB2 LYS A 162 -9.356 -9.799 9.188 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -9.257 -8.095 8.789 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -10.016 -7.673 10.872 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -11.584 -8.220 10.314 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -10.291 -10.602 10.988 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -9.717 -9.480 12.206 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -11.648 -9.889 13.322 1.00 0.50 H new ATOM 0 HE3 LYS A 162 -12.454 -8.919 12.105 1.00 0.50 H new ATOM 0 HZ1 LYS A 162 -13.490 -11.071 12.337 1.00 -0.85 H new ATOM 0 HZ2 LYS A 162 -12.811 -10.915 10.788 1.00 -0.85 H new ATOM 0 HZ3 LYS A 162 -12.030 -11.855 11.967 1.00 -0.85 H new ATOM 2479 N LEU A 163 -10.827 -7.184 6.436 1.00 -0.73 N ATOM 2480 CA LEU A 163 -11.144 -5.940 5.728 1.00 0.36 C ATOM 2481 C LEU A 163 -12.572 -5.990 5.201 1.00 0.57 C ATOM 2482 O LEU A 163 -13.390 -5.147 5.564 1.00 -0.57 O ATOM 2483 CB LEU A 163 -10.152 -5.683 4.555 1.00 0.00 C ATOM 2484 CG LEU A 163 -9.244 -4.437 4.670 1.00 0.00 C ATOM 2485 CD1 LEU A 163 -7.818 -4.807 5.116 1.00 0.00 C ATOM 2486 CD2 LEU A 163 -9.130 -3.705 3.328 1.00 0.00 C ATOM 0 H LEU A 163 -9.979 -7.622 6.076 1.00 -0.73 H new ATOM 0 HA LEU A 163 -11.047 -5.117 6.436 1.00 0.36 H new ATOM 0 HB2 LEU A 163 -9.513 -6.560 4.452 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -10.729 -5.599 3.634 1.00 0.00 H new ATOM 0 HG LEU A 163 -9.711 -3.794 5.416 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -7.212 -3.903 5.184 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -7.856 -5.293 6.091 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -7.374 -5.487 4.389 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -8.485 -2.834 3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -8.704 -4.376 2.582 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -10.120 -3.384 3.004 1.00 0.00 H new ATOM 2498 N TYR A 164 -12.887 -6.978 4.357 1.00 -0.73 N ATOM 2499 CA TYR A 164 -14.215 -7.035 3.754 1.00 0.36 C ATOM 2500 C TYR A 164 -15.214 -7.773 4.649 1.00 0.57 C ATOM 2501 O TYR A 164 -16.422 -7.613 4.467 1.00 -0.57 O ATOM 2502 CB TYR A 164 -14.154 -7.604 2.332 1.00 0.14 C ATOM 2503 CG TYR A 164 -14.048 -9.113 2.203 1.00 -0.14 C ATOM 2504 CD1 TYR A 164 -12.795 -9.748 2.124 1.00 -0.15 C ATOM 2505 CD2 TYR A 164 -15.220 -9.883 2.070 1.00 -0.15 C ATOM 2506 CE1 TYR A 164 -12.696 -11.124 1.862 1.00 -0.15 C ATOM 2507 CE2 TYR A 164 -15.136 -11.266 1.853 1.00 -0.15 C ATOM 2508 CZ TYR A 164 -13.875 -11.891 1.738 1.00 0.08 C ATOM 2509 OH TYR A 164 -13.821 -13.229 1.501 1.00 -0.53 O ATOM 0 H TYR A 164 -12.255 -7.731 4.083 1.00 -0.73 H new ATOM 0 HA TYR A 164 -14.587 -6.014 3.666 1.00 0.36 H new ATOM 0 HB2 TYR A 164 -15.047 -7.279 1.797 1.00 0.14 H new ATOM 0 HB3 TYR A 164 -13.299 -7.159 1.824 1.00 0.14 H new ATOM 0 HD1 TYR A 164 -11.895 -9.168 2.267 1.00 -0.15 H new ATOM 0 HD2 TYR A 164 -16.187 -9.407 2.135 1.00 -0.15 H new ATOM 0 HE1 TYR A 164 -11.728 -11.591 1.756 1.00 -0.15 H new ATOM 0 HE2 TYR A 164 -16.038 -11.855 1.774 1.00 -0.15 H new ATOM 0 HH TYR A 164 -14.731 -13.589 1.447 1.00 -0.53 H new