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 120 HIS : no HE2:sc= -1.59 K(o=-1.8,f=-2.5!) USER MOD Set 1.2: A 124 HIS : no HD1:sc= 0.218 K(o=-1.8,f=-4.1) USER MOD Set 1.3: A 130 HIS : no HD1:sc= -0.396 X(o=-1.8,f=-1.5) USER MOD Set 2.1: A 61 MET CE :methyl -107:sc= -0.286 (180deg=-0.81) USER MOD Set 2.2: A 69 HIS : no HE2:sc= -0.436 K(o=-1.6,f=-5.8) USER MOD Set 2.3: A 84 HIS :FLIP no HE2:sc= -0.361 F(o=-2.6,f=-1.6) USER MOD Set 2.4: A 97 HIS : no HD1:sc= -0.567 K(o=-1.6,f=-2.5) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.007 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0477 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.245 USER MOD Single : A 17 TYR OH : rot -177:sc= 0.553 USER MOD Single : A 21 SER OG : rot -172:sc= 1.26 USER MOD Single : A 22 TYR OH : rot 180:sc= 0.24 USER MOD Single : A 23 THR OG1 : rot 153:sc= -0.088 USER MOD Single : A 28 HIS : no HD1:sc= -0.828 K(o=-0.83,f=-2) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0408 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 41 MET CE :methyl 170:sc= 0 (180deg=-0.161) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= 0.0335 K(o=0.033,f=-0.7) USER MOD Single : A 52 LYS NZ :NH3+ -143:sc= 1.17 (180deg=-0.129) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.165 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 80 ASN : amide:sc=-0.00451 X(o=-0.0045,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 90 THR OG1 : rot 46:sc= 0.0894 USER MOD Single : A 105 THR OG1 : rot 170:sc= 0.103 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= 0.806 K(o=0.81,f=-6.7!) USER MOD Single : A 116 TYR OH : rot 150:sc= 1.23 USER MOD Single : A 119 THR OG1 : rot 86:sc= 0.248 USER MOD Single : A 125 SER OG : rot -99:sc= 1.18 USER MOD Single : A 128 MET CE :methyl -158:sc= -0.297 (180deg=-0.997) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 138 MET CE :methyl 157:sc= -0.683 (180deg=-1.13) USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 TYR OH : rot 180:sc=-0.00572 USER MOD Single : A 144 ASN : amide:sc= -0.408 K(o=-0.41,f=-1.1!) USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 149 ASN : amide:sc= 1.14 K(o=1.1,f=-0.33) USER MOD Single : A 151 LYS NZ :NH3+ -162:sc=-0.00701 (180deg=-0.144) USER MOD Single : A 153 SER OG : rot 113:sc= 1.29 USER MOD Single : A 154 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.37) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 109 N PRO A 8 -12.492 0.200 8.714 1.00 -0.66 N ATOM 110 CA PRO A 8 -11.792 -0.080 7.472 1.00 0.36 C ATOM 111 C PRO A 8 -12.808 -0.457 6.389 1.00 0.57 C ATOM 112 O PRO A 8 -13.898 -0.927 6.714 1.00 -0.57 O ATOM 113 CB PRO A 8 -10.852 -1.231 7.817 1.00 0.00 C ATOM 114 CG PRO A 8 -11.628 -2.035 8.861 1.00 0.00 C ATOM 115 CD PRO A 8 -12.561 -1.017 9.522 1.00 0.30 C ATOM 0 HA PRO A 8 -11.235 0.770 7.078 1.00 0.36 H new ATOM 0 HB2 PRO A 8 -10.619 -1.834 6.939 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.904 -0.868 8.215 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.191 -2.846 8.398 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.957 -2.489 9.590 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.582 -1.397 9.564 1.00 0.30 H new ATOM 0 HD3 PRO A 8 -12.253 -0.818 10.548 1.00 0.30 H new ATOM 123 N LYS A 9 -12.408 -0.288 5.121 1.00 -0.73 N ATOM 124 CA LYS A 9 -13.209 -0.360 3.895 1.00 0.36 C ATOM 125 C LYS A 9 -13.827 1.013 3.623 1.00 0.57 C ATOM 126 O LYS A 9 -14.306 1.689 4.536 1.00 -0.57 O ATOM 127 CB LYS A 9 -14.231 -1.529 3.860 1.00 0.00 C ATOM 128 CG LYS A 9 -15.687 -1.187 4.246 1.00 0.00 C ATOM 129 CD LYS A 9 -16.526 -2.441 4.541 1.00 0.00 C ATOM 130 CE LYS A 9 -17.951 -2.046 4.962 1.00 0.50 C ATOM 131 NZ LYS A 9 -18.826 -3.225 5.179 1.00 -0.85 N ATOM 0 H LYS A 9 -11.432 -0.080 4.911 1.00 -0.73 H new ATOM 0 HA LYS A 9 -12.541 -0.611 3.071 1.00 0.36 H new ATOM 0 HB2 LYS A 9 -14.235 -1.948 2.854 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.876 -2.312 4.530 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.685 -0.540 5.123 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -16.152 -0.624 3.436 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -16.564 -3.077 3.657 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -16.055 -3.024 5.332 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -17.906 -1.457 5.878 1.00 0.50 H new ATOM 0 HE3 LYS A 9 -18.390 -1.408 4.195 1.00 0.50 H new ATOM 0 HZ1 LYS A 9 -19.775 -2.906 5.461 1.00 -0.85 H new ATOM 0 HZ2 LYS A 9 -18.893 -3.774 4.299 1.00 -0.85 H new ATOM 0 HZ3 LYS A 9 -18.424 -3.822 5.930 1.00 -0.85 H new ATOM 145 N TRP A 10 -13.810 1.417 2.352 1.00 -0.73 N ATOM 146 CA TRP A 10 -14.440 2.653 1.907 1.00 0.36 C ATOM 147 C TRP A 10 -15.960 2.489 1.833 1.00 0.57 C ATOM 148 O TRP A 10 -16.492 1.379 1.862 1.00 -0.57 O ATOM 149 CB TRP A 10 -13.869 3.050 0.544 1.00 0.18 C ATOM 150 CG TRP A 10 -12.405 3.348 0.561 1.00 -0.18 C ATOM 151 CD1 TRP A 10 -11.409 2.435 0.482 1.00 -0.30 C ATOM 152 CD2 TRP A 10 -11.748 4.645 0.704 1.00 0.00 C ATOM 153 NE1 TRP A 10 -10.193 3.075 0.522 1.00 0.03 N ATOM 154 CE2 TRP A 10 -10.344 4.438 0.607 1.00 -0.15 C ATOM 155 CE3 TRP A 10 -12.181 5.972 0.924 1.00 -0.15 C ATOM 156 CZ2 TRP A 10 -9.420 5.479 0.703 1.00 -0.15 C ATOM 157 CZ3 TRP A 10 -11.258 7.030 1.020 1.00 -0.15 C ATOM 158 CH2 TRP A 10 -9.882 6.787 0.899 1.00 -0.15 C ATOM 0 H TRP A 10 -13.357 0.893 1.603 1.00 -0.73 H new ATOM 0 HA TRP A 10 -14.227 3.444 2.627 1.00 0.36 H new ATOM 0 HB2 TRP A 10 -14.057 2.244 -0.166 1.00 0.18 H new ATOM 0 HB3 TRP A 10 -14.404 3.927 0.179 1.00 0.18 H new ATOM 0 HD1 TRP A 10 -11.548 1.367 0.400 1.00 -0.30 H new ATOM 0 HE1 TRP A 10 -9.292 2.598 0.492 1.00 0.03 H new ATOM 0 HE3 TRP A 10 -13.237 6.178 1.020 1.00 -0.15 H new ATOM 0 HZ2 TRP A 10 -8.361 5.279 0.627 1.00 -0.15 H new ATOM 0 HZ3 TRP A 10 -11.612 8.036 1.188 1.00 -0.15 H new ATOM 0 HH2 TRP A 10 -9.180 7.606 0.957 1.00 -0.15 H new ATOM 169 N THR A 11 -16.670 3.610 1.686 1.00 -0.73 N ATOM 170 CA THR A 11 -18.120 3.661 1.608 1.00 0.36 C ATOM 171 C THR A 11 -18.655 3.150 0.261 1.00 0.57 C ATOM 172 O THR A 11 -19.848 2.880 0.137 1.00 -0.57 O ATOM 173 CB THR A 11 -18.571 5.111 1.834 1.00 0.28 C ATOM 174 OG1 THR A 11 -17.937 5.964 0.899 1.00 -0.68 O ATOM 175 CG2 THR A 11 -18.206 5.601 3.242 1.00 0.00 C ATOM 0 H THR A 11 -16.234 4.529 1.617 1.00 -0.73 H new ATOM 0 HA THR A 11 -18.526 3.004 2.377 1.00 0.36 H new ATOM 0 HB THR A 11 -19.654 5.136 1.713 1.00 0.28 H new ATOM 0 HG1 THR A 11 -18.230 6.887 1.047 1.00 -0.68 H new ATOM 0 HG21 THR A 11 -18.540 6.631 3.367 1.00 0.00 H new ATOM 0 HG22 THR A 11 -18.693 4.969 3.985 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.125 5.551 3.376 1.00 0.00 H new ATOM 183 N SER A 12 -17.792 3.002 -0.748 1.00 -0.73 N ATOM 184 CA SER A 12 -18.140 2.540 -2.080 1.00 0.36 C ATOM 185 C SER A 12 -17.125 1.496 -2.532 1.00 0.57 C ATOM 186 O SER A 12 -15.954 1.540 -2.159 1.00 -0.57 O ATOM 187 CB SER A 12 -18.176 3.729 -3.041 1.00 0.28 C ATOM 188 OG SER A 12 -18.780 3.342 -4.259 1.00 -0.68 O ATOM 0 H SER A 12 -16.798 3.210 -0.649 1.00 -0.73 H new ATOM 0 HA SER A 12 -19.128 2.080 -2.071 1.00 0.36 H new ATOM 0 HB2 SER A 12 -18.733 4.553 -2.594 1.00 0.28 H new ATOM 0 HB3 SER A 12 -17.164 4.090 -3.225 1.00 0.28 H new ATOM 0 HG SER A 12 -18.802 4.107 -4.871 1.00 -0.68 H new ATOM 194 N LYS A 13 -17.590 0.572 -3.379 1.00 -0.73 N ATOM 195 CA LYS A 13 -16.794 -0.490 -4.004 1.00 0.36 C ATOM 196 C LYS A 13 -15.932 0.019 -5.167 1.00 0.57 C ATOM 197 O LYS A 13 -15.189 -0.773 -5.748 1.00 -0.57 O ATOM 198 CB LYS A 13 -17.742 -1.609 -4.469 1.00 0.00 C ATOM 199 CG LYS A 13 -18.561 -1.187 -5.705 1.00 0.00 C ATOM 200 CD LYS A 13 -19.780 -2.072 -5.970 1.00 0.00 C ATOM 201 CE LYS A 13 -20.542 -1.493 -7.175 1.00 0.50 C ATOM 202 NZ LYS A 13 -21.498 -2.444 -7.784 1.00 -0.85 N ATOM 0 H LYS A 13 -18.570 0.542 -3.659 1.00 -0.73 H new ATOM 0 HA LYS A 13 -16.095 -0.874 -3.261 1.00 0.36 H new ATOM 0 HB2 LYS A 13 -17.163 -2.502 -4.704 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -18.419 -1.873 -3.657 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -18.893 -0.157 -5.575 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -17.913 -1.205 -6.582 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -19.469 -3.097 -6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -20.425 -2.103 -5.092 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -21.082 -0.601 -6.858 1.00 0.50 H new ATOM 0 HE3 LYS A 13 -19.823 -1.179 -7.932 1.00 0.50 H new ATOM 0 HZ1 LYS A 13 -21.975 -1.989 -8.588 1.00 -0.85 H new ATOM 0 HZ2 LYS A 13 -20.986 -3.286 -8.116 1.00 -0.85 H new ATOM 0 HZ3 LYS A 13 -22.206 -2.726 -7.076 1.00 -0.85 H new ATOM 216 N VAL A 14 -16.055 1.309 -5.502 1.00 -0.73 N ATOM 217 CA VAL A 14 -15.218 1.999 -6.463 1.00 0.36 C ATOM 218 C VAL A 14 -14.439 3.053 -5.680 1.00 0.57 C ATOM 219 O VAL A 14 -15.014 3.846 -4.933 1.00 -0.57 O ATOM 220 CB VAL A 14 -16.053 2.552 -7.641 1.00 0.00 C ATOM 221 CG1 VAL A 14 -17.112 3.600 -7.263 1.00 0.00 C ATOM 222 CG2 VAL A 14 -15.149 3.135 -8.737 1.00 0.00 C ATOM 0 H VAL A 14 -16.767 1.913 -5.092 1.00 -0.73 H new ATOM 0 HA VAL A 14 -14.507 1.330 -6.948 1.00 0.36 H new ATOM 0 HB VAL A 14 -16.597 1.681 -8.005 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -17.641 3.923 -8.160 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -17.822 3.163 -6.560 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -16.625 4.459 -6.800 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -15.765 3.516 -9.552 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -14.552 3.948 -8.322 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -14.488 2.356 -9.116 1.00 0.00 H new ATOM 232 N VAL A 15 -13.124 3.035 -5.861 1.00 -0.73 N ATOM 233 CA VAL A 15 -12.166 3.929 -5.227 1.00 0.36 C ATOM 234 C VAL A 15 -11.259 4.423 -6.344 1.00 0.57 C ATOM 235 O VAL A 15 -10.907 3.654 -7.245 1.00 -0.57 O ATOM 236 CB VAL A 15 -11.350 3.220 -4.121 1.00 0.00 C ATOM 237 CG1 VAL A 15 -11.807 3.655 -2.731 1.00 0.00 C ATOM 238 CG2 VAL A 15 -11.416 1.690 -4.143 1.00 0.00 C ATOM 0 H VAL A 15 -12.676 2.363 -6.485 1.00 -0.73 H new ATOM 0 HA VAL A 15 -12.678 4.751 -4.727 1.00 0.36 H new ATOM 0 HB VAL A 15 -10.324 3.521 -4.334 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -11.215 3.139 -1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -11.674 4.732 -2.624 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -12.860 3.405 -2.599 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.812 1.288 -3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -12.450 1.369 -4.020 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -11.033 1.323 -5.095 1.00 0.00 H new ATOM 248 N THR A 16 -10.909 5.704 -6.327 1.00 -0.73 N ATOM 249 CA THR A 16 -10.171 6.313 -7.415 1.00 0.36 C ATOM 250 C THR A 16 -8.802 6.739 -6.901 1.00 0.57 C ATOM 251 O THR A 16 -8.670 7.333 -5.827 1.00 -0.57 O ATOM 252 CB THR A 16 -11.023 7.395 -8.094 1.00 0.28 C ATOM 253 OG1 THR A 16 -10.395 7.849 -9.276 1.00 -0.68 O ATOM 254 CG2 THR A 16 -11.422 8.570 -7.189 1.00 0.00 C ATOM 0 H THR A 16 -11.129 6.342 -5.562 1.00 -0.73 H new ATOM 0 HA THR A 16 -9.965 5.609 -8.221 1.00 0.36 H new ATOM 0 HB THR A 16 -11.966 6.908 -8.343 1.00 0.28 H new ATOM 0 HG1 THR A 16 -10.951 8.537 -9.698 1.00 -0.68 H new ATOM 0 HG21 THR A 16 -12.021 9.281 -7.758 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.004 8.198 -6.346 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.524 9.066 -6.820 1.00 0.00 H new ATOM 262 N TYR A 17 -7.766 6.414 -7.677 1.00 -0.73 N ATOM 263 CA TYR A 17 -6.390 6.653 -7.279 1.00 0.36 C ATOM 264 C TYR A 17 -5.744 7.676 -8.205 1.00 0.57 C ATOM 265 O TYR A 17 -6.227 7.937 -9.314 1.00 -0.57 O ATOM 266 CB TYR A 17 -5.601 5.329 -7.175 1.00 0.14 C ATOM 267 CG TYR A 17 -5.122 4.708 -8.481 1.00 -0.14 C ATOM 268 CD1 TYR A 17 -5.955 3.824 -9.181 1.00 -0.15 C ATOM 269 CD2 TYR A 17 -3.829 4.969 -8.982 1.00 -0.15 C ATOM 270 CE1 TYR A 17 -5.515 3.204 -10.357 1.00 -0.15 C ATOM 271 CE2 TYR A 17 -3.377 4.349 -10.165 1.00 -0.15 C ATOM 272 CZ TYR A 17 -4.224 3.452 -10.848 1.00 0.08 C ATOM 273 OH TYR A 17 -3.832 2.819 -11.987 1.00 -0.53 O ATOM 0 H TYR A 17 -7.864 5.980 -8.595 1.00 -0.73 H new ATOM 0 HA TYR A 17 -6.374 7.084 -6.278 1.00 0.36 H new ATOM 0 HB2 TYR A 17 -4.731 5.502 -6.542 1.00 0.14 H new ATOM 0 HB3 TYR A 17 -6.228 4.600 -6.662 1.00 0.14 H new ATOM 0 HD1 TYR A 17 -6.948 3.619 -8.809 1.00 -0.15 H new ATOM 0 HD2 TYR A 17 -3.179 5.651 -8.454 1.00 -0.15 H new ATOM 0 HE1 TYR A 17 -6.172 2.532 -10.889 1.00 -0.15 H new ATOM 0 HE2 TYR A 17 -2.388 4.560 -10.546 1.00 -0.15 H new ATOM 0 HH TYR A 17 -2.900 3.048 -12.184 1.00 -0.53 H new ATOM 283 N ARG A 18 -4.610 8.232 -7.771 1.00 -0.73 N ATOM 284 CA ARG A 18 -3.779 9.037 -8.655 1.00 0.36 C ATOM 285 C ARG A 18 -2.338 9.020 -8.206 1.00 0.57 C ATOM 286 O ARG A 18 -2.042 8.660 -7.073 1.00 -0.57 O ATOM 287 CB ARG A 18 -4.291 10.488 -8.717 1.00 0.00 C ATOM 288 CG ARG A 18 -3.962 11.229 -10.031 1.00 0.00 C ATOM 289 CD ARG A 18 -4.311 10.459 -11.325 1.00 0.33 C ATOM 290 NE ARG A 18 -3.171 9.690 -11.884 1.00 -0.84 N ATOM 291 CZ ARG A 18 -2.134 10.200 -12.573 1.00 1.20 C ATOM 292 NH1 ARG A 18 -2.100 11.501 -12.855 1.00 -0.97 N ATOM 293 NH2 ARG A 18 -1.118 9.421 -12.949 1.00 -0.97 N ATOM 0 H ARG A 18 -4.253 8.138 -6.820 1.00 -0.73 H new ATOM 0 HA ARG A 18 -3.838 8.601 -9.652 1.00 0.36 H new ATOM 0 HB2 ARG A 18 -5.372 10.484 -8.578 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.864 11.046 -7.884 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.496 12.179 -10.037 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.897 11.462 -10.042 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.134 9.775 -11.120 1.00 0.33 H new ATOM 0 HD3 ARG A 18 -4.664 11.167 -12.075 1.00 0.33 H new ATOM 0 HE ARG A 18 -3.174 8.681 -11.732 1.00 -0.84 H new ATOM 0 HH11 ARG A 18 -2.859 12.109 -12.549 1.00 -0.97 H new ATOM 0 HH12 ARG A 18 -1.315 11.889 -13.377 1.00 -0.97 H new ATOM 0 HH21 ARG A 18 -1.122 8.428 -12.714 1.00 -0.97 H new ATOM 0 HH22 ARG A 18 -0.337 9.818 -13.471 1.00 -0.97 H new ATOM 307 N ILE A 19 -1.459 9.468 -9.094 1.00 -0.73 N ATOM 308 CA ILE A 19 -0.031 9.473 -8.889 1.00 0.36 C ATOM 309 C ILE A 19 0.386 10.929 -9.160 1.00 0.57 C ATOM 310 O ILE A 19 0.777 11.275 -10.272 1.00 -0.57 O ATOM 311 CB ILE A 19 0.639 8.386 -9.770 1.00 0.00 C ATOM 312 CG1 ILE A 19 -0.025 6.982 -9.726 1.00 0.00 C ATOM 313 CG2 ILE A 19 2.082 8.240 -9.285 1.00 0.00 C ATOM 314 CD1 ILE A 19 0.367 6.102 -10.923 1.00 0.00 C ATOM 0 H ILE A 19 -1.736 9.847 -10.000 1.00 -0.73 H new ATOM 0 HA ILE A 19 0.294 9.199 -7.885 1.00 0.36 H new ATOM 0 HB ILE A 19 0.544 8.723 -10.802 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.260 6.479 -8.802 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.109 7.098 -9.705 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.591 7.482 -9.880 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.600 9.193 -9.391 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.085 7.940 -8.237 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.126 5.133 -10.840 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.058 6.588 -11.848 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.448 5.959 -10.931 1.00 0.00 H new ATOM 326 N VAL A 20 0.145 11.809 -8.175 1.00 -0.73 N ATOM 327 CA VAL A 20 0.369 13.264 -8.259 1.00 0.36 C ATOM 328 C VAL A 20 1.854 13.612 -8.405 1.00 0.57 C ATOM 329 O VAL A 20 2.196 14.596 -9.055 1.00 -0.57 O ATOM 330 CB VAL A 20 -0.210 14.004 -7.025 1.00 0.00 C ATOM 331 CG1 VAL A 20 -1.689 14.372 -7.212 1.00 0.00 C ATOM 332 CG2 VAL A 20 -0.045 13.236 -5.703 1.00 0.00 C ATOM 0 H VAL A 20 -0.223 11.520 -7.269 1.00 -0.73 H new ATOM 0 HA VAL A 20 -0.156 13.598 -9.154 1.00 0.36 H new ATOM 0 HB VAL A 20 0.386 14.914 -6.954 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.051 14.888 -6.323 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.795 15.025 -8.079 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.273 13.465 -7.368 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.475 13.818 -4.888 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.558 12.277 -5.773 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.014 13.068 -5.510 1.00 0.00 H new ATOM 342 N SER A 21 2.727 12.784 -7.831 1.00 -0.73 N ATOM 343 CA SER A 21 4.174 12.850 -7.950 1.00 0.36 C ATOM 344 C SER A 21 4.615 11.415 -8.250 1.00 0.57 C ATOM 345 O SER A 21 3.841 10.484 -8.024 1.00 -0.57 O ATOM 346 CB SER A 21 4.762 13.455 -6.656 1.00 0.28 C ATOM 347 OG SER A 21 6.122 13.103 -6.452 1.00 -0.68 O ATOM 0 H SER A 21 2.422 12.010 -7.240 1.00 -0.73 H new ATOM 0 HA SER A 21 4.534 13.501 -8.747 1.00 0.36 H new ATOM 0 HB2 SER A 21 4.675 14.541 -6.696 1.00 0.28 H new ATOM 0 HB3 SER A 21 4.173 13.119 -5.803 1.00 0.28 H new ATOM 0 HG SER A 21 6.408 13.402 -5.564 1.00 -0.68 H new ATOM 353 N TYR A 22 5.855 11.221 -8.705 1.00 -0.73 N ATOM 354 CA TYR A 22 6.409 9.930 -9.109 1.00 0.36 C ATOM 355 C TYR A 22 7.804 9.759 -8.495 1.00 0.57 C ATOM 356 O TYR A 22 8.464 10.748 -8.182 1.00 -0.57 O ATOM 357 CB TYR A 22 6.512 9.854 -10.641 1.00 0.14 C ATOM 358 CG TYR A 22 5.204 9.963 -11.411 1.00 -0.14 C ATOM 359 CD1 TYR A 22 4.357 8.846 -11.532 1.00 -0.15 C ATOM 360 CD2 TYR A 22 4.874 11.155 -12.086 1.00 -0.15 C ATOM 361 CE1 TYR A 22 3.178 8.923 -12.299 1.00 -0.15 C ATOM 362 CE2 TYR A 22 3.712 11.235 -12.878 1.00 -0.15 C ATOM 363 CZ TYR A 22 2.848 10.117 -12.990 1.00 0.08 C ATOM 364 OH TYR A 22 1.737 10.164 -13.793 1.00 -0.53 O ATOM 0 H TYR A 22 6.523 11.986 -8.805 1.00 -0.73 H new ATOM 0 HA TYR A 22 5.751 9.135 -8.757 1.00 0.36 H new ATOM 0 HB2 TYR A 22 7.175 10.650 -10.979 1.00 0.14 H new ATOM 0 HB3 TYR A 22 6.987 8.909 -10.906 1.00 0.14 H new ATOM 0 HD1 TYR A 22 4.613 7.923 -11.033 1.00 -0.15 H new ATOM 0 HD2 TYR A 22 5.519 12.017 -11.995 1.00 -0.15 H new ATOM 0 HE1 TYR A 22 2.521 8.068 -12.361 1.00 -0.15 H new ATOM 0 HE2 TYR A 22 3.479 12.151 -13.401 1.00 -0.15 H new ATOM 0 HH TYR A 22 1.658 11.057 -14.190 1.00 -0.53 H new ATOM 374 N THR A 23 8.270 8.509 -8.373 1.00 -0.73 N ATOM 375 CA THR A 23 9.546 8.165 -7.738 1.00 0.36 C ATOM 376 C THR A 23 10.782 8.431 -8.617 1.00 0.57 C ATOM 377 O THR A 23 11.916 8.416 -8.130 1.00 -0.57 O ATOM 378 CB THR A 23 9.469 6.695 -7.306 1.00 0.28 C ATOM 379 OG1 THR A 23 10.488 6.410 -6.386 1.00 -0.68 O ATOM 380 CG2 THR A 23 9.545 5.704 -8.475 1.00 0.00 C ATOM 0 H THR A 23 7.761 7.696 -8.719 1.00 -0.73 H new ATOM 0 HA THR A 23 9.686 8.820 -6.878 1.00 0.36 H new ATOM 0 HB THR A 23 8.489 6.566 -6.847 1.00 0.28 H new ATOM 0 HG1 THR A 23 10.204 5.677 -5.800 1.00 -0.68 H new ATOM 0 HG21 THR A 23 9.484 4.685 -8.093 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.716 5.885 -9.160 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.488 5.837 -9.004 1.00 0.00 H new ATOM 388 N ARG A 24 10.579 8.637 -9.930 1.00 -0.73 N ATOM 389 CA ARG A 24 11.596 9.002 -10.927 1.00 0.36 C ATOM 390 C ARG A 24 12.659 7.916 -11.204 1.00 0.57 C ATOM 391 O ARG A 24 13.275 7.941 -12.274 1.00 -0.57 O ATOM 392 CB ARG A 24 12.217 10.345 -10.505 1.00 0.00 C ATOM 393 CG ARG A 24 13.007 11.084 -11.589 1.00 0.00 C ATOM 394 CD ARG A 24 13.427 12.441 -11.016 1.00 0.33 C ATOM 395 NE ARG A 24 14.428 13.129 -11.850 1.00 -0.84 N ATOM 396 CZ ARG A 24 15.116 14.230 -11.473 1.00 1.20 C ATOM 397 NH1 ARG A 24 14.964 14.758 -10.258 1.00 -0.97 N ATOM 398 NH2 ARG A 24 15.959 14.824 -12.314 1.00 -0.97 N ATOM 0 H ARG A 24 9.651 8.548 -10.344 1.00 -0.73 H new ATOM 0 HA ARG A 24 11.097 9.100 -11.891 1.00 0.36 H new ATOM 0 HB2 ARG A 24 11.418 10.999 -10.155 1.00 0.00 H new ATOM 0 HB3 ARG A 24 12.879 10.167 -9.657 1.00 0.00 H new ATOM 0 HG2 ARG A 24 13.883 10.506 -11.885 1.00 0.00 H new ATOM 0 HG3 ARG A 24 12.397 11.218 -12.482 1.00 0.00 H new ATOM 0 HD2 ARG A 24 12.547 13.076 -10.916 1.00 0.33 H new ATOM 0 HD3 ARG A 24 13.832 12.297 -10.014 1.00 0.33 H new ATOM 0 HE ARG A 24 14.615 12.748 -12.777 1.00 -0.84 H new ATOM 0 HH11 ARG A 24 14.319 14.331 -9.593 1.00 -0.97 H new ATOM 0 HH12 ARG A 24 15.493 15.589 -9.993 1.00 -0.97 H new ATOM 0 HH21 ARG A 24 16.091 14.449 -13.253 1.00 -0.97 H new ATOM 0 HH22 ARG A 24 16.473 15.654 -12.019 1.00 -0.97 H new ATOM 412 N ASP A 25 12.847 6.950 -10.302 1.00 -0.73 N ATOM 413 CA ASP A 25 13.712 5.778 -10.472 1.00 0.36 C ATOM 414 C ASP A 25 13.183 4.825 -11.560 1.00 0.57 C ATOM 415 O ASP A 25 13.948 4.198 -12.294 1.00 -0.57 O ATOM 416 CB ASP A 25 13.810 5.060 -9.119 1.00 0.06 C ATOM 417 CG ASP A 25 15.043 4.133 -9.040 1.00 0.66 C ATOM 418 OD1 ASP A 25 15.183 3.244 -9.863 1.00 -0.57 O ATOM 419 OD2 ASP A 25 15.938 4.405 -8.095 1.00 -0.65 O ATOM 0 H ASP A 25 12.381 6.963 -9.395 1.00 -0.73 H new ATOM 0 HA ASP A 25 14.698 6.104 -10.802 1.00 0.36 H new ATOM 0 HB2 ASP A 25 13.861 5.799 -8.320 1.00 0.06 H new ATOM 0 HB3 ASP A 25 12.906 4.474 -8.954 1.00 0.06 H new ATOM 425 N LEU A 26 11.856 4.777 -11.709 1.00 -0.73 N ATOM 426 CA LEU A 26 11.131 3.965 -12.683 1.00 0.36 C ATOM 427 C LEU A 26 10.022 4.831 -13.299 1.00 0.57 C ATOM 428 O LEU A 26 9.513 5.736 -12.627 1.00 -0.57 O ATOM 429 CB LEU A 26 10.568 2.671 -12.055 1.00 0.00 C ATOM 430 CG LEU A 26 10.043 2.778 -10.604 1.00 0.00 C ATOM 431 CD1 LEU A 26 8.662 2.141 -10.441 1.00 0.00 C ATOM 432 CD2 LEU A 26 11.013 2.108 -9.619 1.00 0.00 C ATOM 0 H LEU A 26 11.231 5.331 -11.124 1.00 -0.73 H new ATOM 0 HA LEU A 26 11.817 3.637 -13.464 1.00 0.36 H new ATOM 0 HB2 LEU A 26 9.755 2.312 -12.686 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.350 1.912 -12.079 1.00 0.00 H new ATOM 0 HG LEU A 26 9.965 3.843 -10.384 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.335 2.241 -9.406 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.950 2.643 -11.096 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.715 1.085 -10.704 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.621 2.197 -8.606 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.121 1.054 -9.875 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.985 2.597 -9.676 1.00 0.00 H new ATOM 444 N PRO A 27 9.669 4.602 -14.581 1.00 -0.66 N ATOM 445 CA PRO A 27 8.795 5.490 -15.330 1.00 0.36 C ATOM 446 C PRO A 27 7.337 5.379 -14.879 1.00 0.57 C ATOM 447 O PRO A 27 6.905 4.386 -14.294 1.00 -0.57 O ATOM 448 CB PRO A 27 8.977 5.104 -16.802 1.00 0.00 C ATOM 449 CG PRO A 27 9.411 3.643 -16.751 1.00 0.00 C ATOM 450 CD PRO A 27 10.171 3.534 -15.434 1.00 0.30 C ATOM 0 HA PRO A 27 9.055 6.535 -15.162 1.00 0.36 H new ATOM 0 HB2 PRO A 27 8.051 5.226 -17.364 1.00 0.00 H new ATOM 0 HB3 PRO A 27 9.728 5.727 -17.288 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.554 2.970 -16.775 1.00 0.00 H new ATOM 0 HG3 PRO A 27 10.043 3.384 -17.600 1.00 0.00 H new ATOM 0 HD2 PRO A 27 10.010 2.560 -14.972 1.00 0.30 H new ATOM 0 HD3 PRO A 27 11.244 3.637 -15.595 1.00 0.30 H new ATOM 458 N HIS A 28 6.544 6.399 -15.211 1.00 -0.73 N ATOM 459 CA HIS A 28 5.156 6.521 -14.786 1.00 0.36 C ATOM 460 C HIS A 28 4.304 5.363 -15.293 1.00 0.57 C ATOM 461 O HIS A 28 3.434 4.901 -14.566 1.00 -0.57 O ATOM 462 CB HIS A 28 4.573 7.846 -15.293 1.00 0.17 C ATOM 463 CG HIS A 28 5.472 9.061 -15.110 1.00 0.18 C ATOM 464 ND1 HIS A 28 6.494 9.203 -14.194 1.00 -0.70 N ATOM 465 CD2 HIS A 28 5.466 10.199 -15.867 1.00 0.20 C ATOM 466 CE1 HIS A 28 7.071 10.393 -14.414 1.00 0.65 C ATOM 467 NE2 HIS A 28 6.479 11.042 -15.424 1.00 -0.70 N ATOM 0 H HIS A 28 6.858 7.175 -15.793 1.00 -0.73 H new ATOM 0 HA HIS A 28 5.140 6.498 -13.696 1.00 0.36 H new ATOM 0 HB2 HIS A 28 4.342 7.741 -16.353 1.00 0.17 H new ATOM 0 HB3 HIS A 28 3.630 8.031 -14.778 1.00 0.17 H new ATOM 0 HD2 HIS A 28 4.785 10.409 -16.678 1.00 0.20 H new ATOM 0 HE1 HIS A 28 7.907 10.779 -13.849 1.00 0.65 H new ATOM 0 HE2 HIS A 28 6.720 11.962 -15.792 1.00 -0.70 H new ATOM 476 N ILE A 29 4.581 4.871 -16.508 1.00 -0.73 N ATOM 477 CA ILE A 29 3.918 3.696 -17.063 1.00 0.36 C ATOM 478 C ILE A 29 4.175 2.472 -16.172 1.00 0.57 C ATOM 479 O ILE A 29 3.273 1.663 -15.991 1.00 -0.57 O ATOM 480 CB ILE A 29 4.359 3.478 -18.533 1.00 0.00 C ATOM 481 CG1 ILE A 29 3.365 2.580 -19.309 1.00 0.00 C ATOM 482 CG2 ILE A 29 5.788 2.920 -18.669 1.00 0.00 C ATOM 483 CD1 ILE A 29 2.390 3.414 -20.144 1.00 0.00 C ATOM 0 H ILE A 29 5.275 5.283 -17.132 1.00 -0.73 H new ATOM 0 HA ILE A 29 2.840 3.853 -17.078 1.00 0.36 H new ATOM 0 HB ILE A 29 4.357 4.473 -18.978 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.917 1.903 -19.961 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.807 1.961 -18.606 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.030 2.792 -19.724 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.495 3.615 -18.216 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.852 1.957 -18.163 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.707 2.751 -20.675 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.820 4.072 -19.488 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.948 4.013 -20.864 1.00 0.00 H new ATOM 495 N THR A 30 5.367 2.355 -15.575 1.00 -0.73 N ATOM 496 CA THR A 30 5.727 1.266 -14.675 1.00 0.36 C ATOM 497 C THR A 30 5.132 1.513 -13.290 1.00 0.57 C ATOM 498 O THR A 30 4.654 0.555 -12.692 1.00 -0.57 O ATOM 499 CB THR A 30 7.256 1.097 -14.641 1.00 0.28 C ATOM 500 OG1 THR A 30 7.701 0.766 -15.944 1.00 -0.68 O ATOM 501 CG2 THR A 30 7.728 -0.011 -13.697 1.00 0.00 C ATOM 0 H THR A 30 6.119 3.031 -15.710 1.00 -0.73 H new ATOM 0 HA THR A 30 5.308 0.329 -15.041 1.00 0.36 H new ATOM 0 HB THR A 30 7.668 2.039 -14.280 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.675 0.657 -15.939 1.00 -0.68 H new ATOM 0 HG21 THR A 30 8.816 -0.073 -13.724 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.403 0.213 -12.681 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.302 -0.964 -14.012 1.00 0.00 H new ATOM 509 N VAL A 31 5.085 2.755 -12.788 1.00 -0.73 N ATOM 510 CA VAL A 31 4.382 3.043 -11.536 1.00 0.36 C ATOM 511 C VAL A 31 2.892 2.709 -11.700 1.00 0.57 C ATOM 512 O VAL A 31 2.321 2.061 -10.826 1.00 -0.57 O ATOM 513 CB VAL A 31 4.611 4.493 -11.050 1.00 0.00 C ATOM 514 CG1 VAL A 31 3.904 4.737 -9.706 1.00 0.00 C ATOM 515 CG2 VAL A 31 6.102 4.807 -10.830 1.00 0.00 C ATOM 0 H VAL A 31 5.521 3.566 -13.226 1.00 -0.73 H new ATOM 0 HA VAL A 31 4.796 2.409 -10.752 1.00 0.36 H new ATOM 0 HB VAL A 31 4.208 5.135 -11.834 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.079 5.763 -9.384 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.833 4.571 -9.823 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.298 4.050 -8.957 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.211 5.837 -10.489 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.509 4.131 -10.078 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.644 4.676 -11.767 1.00 0.00 H new ATOM 525 N ASP A 32 2.264 3.095 -12.818 1.00 -0.73 N ATOM 526 CA ASP A 32 0.856 2.802 -13.055 1.00 0.36 C ATOM 527 C ASP A 32 0.651 1.300 -13.294 1.00 0.57 C ATOM 528 O ASP A 32 -0.240 0.713 -12.690 1.00 -0.57 O ATOM 529 CB ASP A 32 0.330 3.666 -14.207 1.00 0.06 C ATOM 530 CG ASP A 32 -1.210 3.881 -14.167 1.00 0.66 C ATOM 531 OD1 ASP A 32 -1.847 3.461 -13.215 1.00 -0.57 O ATOM 532 OD2 ASP A 32 -1.814 4.596 -15.112 1.00 -0.65 O ATOM 0 H ASP A 32 2.716 3.613 -13.572 1.00 -0.73 H new ATOM 0 HA ASP A 32 0.274 3.057 -12.169 1.00 0.36 H new ATOM 0 HB2 ASP A 32 0.825 4.637 -14.179 1.00 0.06 H new ATOM 0 HB3 ASP A 32 0.599 3.198 -15.154 1.00 0.06 H new ATOM 538 N ARG A 33 1.517 0.626 -14.071 1.00 -0.73 N ATOM 539 CA ARG A 33 1.402 -0.817 -14.297 1.00 0.36 C ATOM 540 C ARG A 33 1.660 -1.641 -13.050 1.00 0.57 C ATOM 541 O ARG A 33 0.921 -2.598 -12.816 1.00 -0.57 O ATOM 542 CB ARG A 33 2.355 -1.306 -15.402 1.00 0.00 C ATOM 543 CG ARG A 33 1.779 -1.148 -16.814 1.00 0.00 C ATOM 544 CD ARG A 33 0.510 -2.003 -16.983 1.00 0.33 C ATOM 545 NE ARG A 33 0.638 -3.005 -18.051 1.00 -0.84 N ATOM 546 CZ ARG A 33 -0.080 -4.133 -18.145 1.00 1.20 C ATOM 547 NH1 ARG A 33 -1.054 -4.389 -17.273 1.00 -0.97 N ATOM 548 NH2 ARG A 33 0.203 -4.985 -19.119 1.00 -0.97 N ATOM 0 H ARG A 33 2.304 1.062 -14.552 1.00 -0.73 H new ATOM 0 HA ARG A 33 0.367 -0.965 -14.605 1.00 0.36 H new ATOM 0 HB2 ARG A 33 3.292 -0.753 -15.335 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.592 -2.356 -15.229 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.545 -0.100 -17.001 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.525 -1.445 -17.552 1.00 0.00 H new ATOM 0 HD2 ARG A 33 0.289 -2.507 -16.042 1.00 0.33 H new ATOM 0 HD3 ARG A 33 -0.336 -1.351 -17.202 1.00 0.33 H new ATOM 0 HE ARG A 33 1.329 -2.827 -18.780 1.00 -0.84 H new ATOM 0 HH11 ARG A 33 -1.258 -3.724 -16.527 1.00 -0.97 H new ATOM 0 HH12 ARG A 33 -1.596 -5.250 -17.352 1.00 -0.97 H new ATOM 0 HH21 ARG A 33 0.954 -4.776 -19.777 1.00 -0.97 H new ATOM 0 HH22 ARG A 33 -0.330 -5.850 -19.211 1.00 -0.97 H new ATOM 562 N LEU A 34 2.682 -1.300 -12.260 1.00 -0.73 N ATOM 563 CA LEU A 34 2.951 -2.011 -11.023 1.00 0.36 C ATOM 564 C LEU A 34 1.770 -1.799 -10.081 1.00 0.57 C ATOM 565 O LEU A 34 1.345 -2.763 -9.454 1.00 -0.57 O ATOM 566 CB LEU A 34 4.331 -1.673 -10.437 1.00 0.00 C ATOM 567 CG LEU A 34 4.431 -0.400 -9.582 1.00 0.00 C ATOM 568 CD1 LEU A 34 3.946 -0.606 -8.137 1.00 0.00 C ATOM 569 CD2 LEU A 34 5.878 0.102 -9.541 1.00 0.00 C ATOM 0 H LEU A 34 3.330 -0.538 -12.460 1.00 -0.73 H new ATOM 0 HA LEU A 34 3.029 -3.082 -11.208 1.00 0.36 H new ATOM 0 HB2 LEU A 34 4.657 -2.517 -9.829 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.037 -1.584 -11.262 1.00 0.00 H new ATOM 0 HG LEU A 34 3.779 0.334 -10.056 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.042 0.329 -7.584 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.902 -0.918 -8.145 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.551 -1.375 -7.656 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.933 1.004 -8.932 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.518 -0.667 -9.109 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.214 0.327 -10.553 1.00 0.00 H new ATOM 581 N VAL A 35 1.201 -0.585 -10.005 1.00 -0.73 N ATOM 582 CA VAL A 35 -0.001 -0.336 -9.218 1.00 0.36 C ATOM 583 C VAL A 35 -1.185 -1.122 -9.781 1.00 0.57 C ATOM 584 O VAL A 35 -1.926 -1.707 -8.998 1.00 -0.57 O ATOM 585 CB VAL A 35 -0.263 1.179 -9.095 1.00 0.00 C ATOM 586 CG1 VAL A 35 -1.724 1.556 -8.832 1.00 0.00 C ATOM 587 CG2 VAL A 35 0.592 1.731 -7.945 1.00 0.00 C ATOM 0 H VAL A 35 1.563 0.239 -10.485 1.00 -0.73 H new ATOM 0 HA VAL A 35 0.146 -0.701 -8.201 1.00 0.36 H new ATOM 0 HB VAL A 35 -0.002 1.612 -10.061 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.813 2.640 -8.760 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.346 1.194 -9.651 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.054 1.102 -7.897 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.418 2.802 -7.844 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.319 1.230 -7.016 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.646 1.553 -8.157 1.00 0.00 H new ATOM 597 N SER A 36 -1.341 -1.204 -11.105 1.00 -0.73 N ATOM 598 CA SER A 36 -2.396 -1.974 -11.747 1.00 0.36 C ATOM 599 C SER A 36 -2.306 -3.432 -11.284 1.00 0.57 C ATOM 600 O SER A 36 -3.285 -3.956 -10.754 1.00 -0.57 O ATOM 601 CB SER A 36 -2.288 -1.835 -13.276 1.00 0.28 C ATOM 602 OG SER A 36 -3.542 -1.993 -13.920 1.00 -0.68 O ATOM 0 H SER A 36 -0.726 -0.729 -11.766 1.00 -0.73 H new ATOM 0 HA SER A 36 -3.376 -1.593 -11.460 1.00 0.36 H new ATOM 0 HB2 SER A 36 -1.877 -0.856 -13.522 1.00 0.28 H new ATOM 0 HB3 SER A 36 -1.589 -2.579 -13.658 1.00 0.28 H new ATOM 0 HG SER A 36 -3.427 -1.895 -14.888 1.00 -0.68 H new ATOM 608 N LYS A 37 -1.130 -4.077 -11.395 1.00 -0.73 N ATOM 609 CA LYS A 37 -0.993 -5.461 -10.946 1.00 0.36 C ATOM 610 C LYS A 37 -1.062 -5.579 -9.418 1.00 0.57 C ATOM 611 O LYS A 37 -1.661 -6.537 -8.948 1.00 -0.57 O ATOM 612 CB LYS A 37 0.230 -6.162 -11.567 1.00 0.00 C ATOM 613 CG LYS A 37 1.583 -5.693 -11.023 1.00 0.00 C ATOM 614 CD LYS A 37 2.774 -6.430 -11.649 1.00 0.00 C ATOM 615 CE LYS A 37 3.168 -5.860 -13.014 1.00 0.50 C ATOM 616 NZ LYS A 37 4.216 -6.671 -13.666 1.00 -0.85 N ATOM 0 H LYS A 37 -0.281 -3.666 -11.784 1.00 -0.73 H new ATOM 0 HA LYS A 37 -1.857 -6.008 -11.323 1.00 0.36 H new ATOM 0 HB2 LYS A 37 0.139 -7.235 -11.401 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.213 -6.004 -12.645 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.689 -4.624 -11.205 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.602 -5.836 -9.943 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.628 -6.371 -10.975 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.526 -7.486 -11.758 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.289 -5.817 -13.657 1.00 0.50 H new ATOM 0 HE3 LYS A 37 3.524 -4.837 -12.892 1.00 0.50 H new ATOM 0 HZ1 LYS A 37 4.456 -6.253 -14.588 1.00 -0.85 H new ATOM 0 HZ2 LYS A 37 5.064 -6.691 -13.064 1.00 -0.85 H new ATOM 0 HZ3 LYS A 37 3.868 -7.641 -13.806 1.00 -0.85 H new ATOM 630 N ALA A 38 -0.526 -4.632 -8.638 1.00 -0.73 N ATOM 631 CA ALA A 38 -0.572 -4.645 -7.172 1.00 0.36 C ATOM 632 C ALA A 38 -2.007 -4.524 -6.643 1.00 0.57 C ATOM 633 O ALA A 38 -2.408 -5.252 -5.734 1.00 -0.57 O ATOM 634 CB ALA A 38 0.265 -3.481 -6.635 1.00 0.00 C ATOM 0 H ALA A 38 -0.039 -3.820 -9.017 1.00 -0.73 H new ATOM 0 HA ALA A 38 -0.170 -5.599 -6.830 1.00 0.36 H new ATOM 0 HB1 ALA A 38 0.236 -3.484 -5.545 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.296 -3.589 -6.971 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.140 -2.540 -7.006 1.00 0.00 H new ATOM 640 N LEU A 39 -2.795 -3.617 -7.223 1.00 -0.73 N ATOM 641 CA LEU A 39 -4.208 -3.474 -6.903 1.00 0.36 C ATOM 642 C LEU A 39 -4.980 -4.680 -7.416 1.00 0.57 C ATOM 643 O LEU A 39 -5.888 -5.133 -6.723 1.00 -0.57 O ATOM 644 CB LEU A 39 -4.785 -2.182 -7.503 1.00 0.00 C ATOM 645 CG LEU A 39 -4.355 -0.906 -6.757 1.00 0.00 C ATOM 646 CD1 LEU A 39 -4.827 0.330 -7.528 1.00 0.00 C ATOM 647 CD2 LEU A 39 -4.936 -0.856 -5.336 1.00 0.00 C ATOM 0 H LEU A 39 -2.465 -2.960 -7.930 1.00 -0.73 H new ATOM 0 HA LEU A 39 -4.308 -3.416 -5.819 1.00 0.36 H new ATOM 0 HB2 LEU A 39 -4.474 -2.105 -8.545 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.873 -2.245 -7.499 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.267 -0.918 -6.686 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.520 1.230 -6.996 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.384 0.329 -8.524 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.913 0.312 -7.614 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.610 0.059 -4.842 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.025 -0.873 -5.387 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.586 -1.719 -4.769 1.00 0.00 H new ATOM 659 N ASN A 40 -4.609 -5.245 -8.574 1.00 -0.73 N ATOM 660 CA ASN A 40 -5.183 -6.504 -9.038 1.00 0.36 C ATOM 661 C ASN A 40 -4.860 -7.623 -8.038 1.00 0.57 C ATOM 662 O ASN A 40 -5.733 -8.422 -7.751 1.00 -0.57 O ATOM 663 CB ASN A 40 -4.712 -6.845 -10.466 1.00 0.06 C ATOM 664 CG ASN A 40 -5.617 -7.851 -11.178 1.00 0.57 C ATOM 665 OD1 ASN A 40 -5.748 -8.995 -10.771 1.00 -0.57 O ATOM 666 ND2 ASN A 40 -6.238 -7.455 -12.282 1.00 -0.80 N ATOM 0 H ASN A 40 -3.913 -4.845 -9.203 1.00 -0.73 H new ATOM 0 HA ASN A 40 -6.267 -6.400 -9.090 1.00 0.36 H new ATOM 0 HB2 ASN A 40 -4.666 -5.929 -11.054 1.00 0.06 H new ATOM 0 HB3 ASN A 40 -3.700 -7.246 -10.421 1.00 0.06 H new ATOM 0 HD21 ASN A 40 -6.829 -8.108 -12.797 1.00 -0.80 H new ATOM 0 HD22 ASN A 40 -6.124 -6.498 -12.616 1.00 -0.80 H new ATOM 673 N MET A 41 -3.659 -7.672 -7.449 1.00 -0.73 N ATOM 674 CA MET A 41 -3.296 -8.647 -6.418 1.00 0.36 C ATOM 675 C MET A 41 -4.145 -8.493 -5.147 1.00 0.57 C ATOM 676 O MET A 41 -4.541 -9.510 -4.582 1.00 -0.57 O ATOM 677 CB MET A 41 -1.797 -8.549 -6.092 1.00 0.00 C ATOM 678 CG MET A 41 -0.880 -9.088 -7.197 1.00 0.23 C ATOM 679 SD MET A 41 0.834 -8.493 -7.087 1.00 -0.46 S ATOM 680 CE MET A 41 1.356 -9.244 -5.523 1.00 0.23 C ATOM 0 H MET A 41 -2.904 -7.027 -7.679 1.00 -0.73 H new ATOM 0 HA MET A 41 -3.505 -9.639 -6.819 1.00 0.36 H new ATOM 0 HB2 MET A 41 -1.545 -7.506 -5.902 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.600 -9.098 -5.171 1.00 0.00 H new ATOM 0 HG2 MET A 41 -0.879 -10.177 -7.156 1.00 0.23 H new ATOM 0 HG3 MET A 41 -1.291 -8.806 -8.166 1.00 0.23 H new ATOM 0 HE1 MET A 41 2.432 -9.122 -5.402 1.00 0.23 H new ATOM 0 HE2 MET A 41 0.840 -8.757 -4.695 1.00 0.23 H new ATOM 0 HE3 MET A 41 1.110 -10.306 -5.529 1.00 0.23 H new ATOM 690 N TRP A 42 -4.480 -7.264 -4.723 1.00 -0.73 N ATOM 691 CA TRP A 42 -5.457 -7.051 -3.652 1.00 0.36 C ATOM 692 C TRP A 42 -6.854 -7.504 -4.116 1.00 0.57 C ATOM 693 O TRP A 42 -7.466 -8.372 -3.488 1.00 -0.57 O ATOM 694 CB TRP A 42 -5.430 -5.580 -3.177 1.00 0.18 C ATOM 695 CG TRP A 42 -4.463 -5.287 -2.063 1.00 -0.18 C ATOM 696 CD1 TRP A 42 -3.140 -5.026 -2.193 1.00 -0.30 C ATOM 697 CD2 TRP A 42 -4.716 -5.263 -0.621 1.00 0.00 C ATOM 698 NE1 TRP A 42 -2.565 -4.892 -0.942 1.00 0.03 N ATOM 699 CE2 TRP A 42 -3.468 -5.158 0.058 1.00 -0.15 C ATOM 700 CE3 TRP A 42 -5.868 -5.345 0.191 1.00 -0.15 C ATOM 701 CZ2 TRP A 42 -3.352 -5.273 1.451 1.00 -0.15 C ATOM 702 CZ3 TRP A 42 -5.772 -5.410 1.596 1.00 -0.15 C ATOM 703 CH2 TRP A 42 -4.516 -5.412 2.226 1.00 -0.15 C ATOM 0 H TRP A 42 -4.087 -6.405 -5.108 1.00 -0.73 H new ATOM 0 HA TRP A 42 -5.192 -7.661 -2.788 1.00 0.36 H new ATOM 0 HB2 TRP A 42 -5.184 -4.944 -4.028 1.00 0.18 H new ATOM 0 HB3 TRP A 42 -6.432 -5.301 -2.850 1.00 0.18 H new ATOM 0 HD1 TRP A 42 -2.614 -4.936 -3.132 1.00 -0.30 H new ATOM 0 HE1 TRP A 42 -1.593 -4.629 -0.782 1.00 0.03 H new ATOM 0 HE3 TRP A 42 -6.843 -5.358 -0.274 1.00 -0.15 H new ATOM 0 HZ2 TRP A 42 -2.380 -5.255 1.922 1.00 -0.15 H new ATOM 0 HZ3 TRP A 42 -6.671 -5.459 2.193 1.00 -0.15 H new ATOM 0 HH2 TRP A 42 -4.446 -5.520 3.298 1.00 -0.15 H new ATOM 714 N GLY A 43 -7.332 -6.973 -5.250 1.00 -0.73 N ATOM 715 CA GLY A 43 -8.647 -7.261 -5.824 1.00 0.36 C ATOM 716 C GLY A 43 -8.819 -8.704 -6.320 1.00 0.57 C ATOM 717 O GLY A 43 -9.923 -9.119 -6.655 1.00 -0.57 O ATOM 0 H GLY A 43 -6.794 -6.310 -5.808 1.00 -0.73 H new ATOM 0 HA2 GLY A 43 -9.411 -7.054 -5.074 1.00 0.36 H new ATOM 0 HA3 GLY A 43 -8.824 -6.580 -6.656 1.00 0.36 H new ATOM 721 N LYS A 44 -7.747 -9.497 -6.361 1.00 -0.73 N ATOM 722 CA LYS A 44 -7.790 -10.919 -6.680 1.00 0.36 C ATOM 723 C LYS A 44 -8.490 -11.715 -5.585 1.00 0.57 C ATOM 724 O LYS A 44 -8.940 -12.820 -5.869 1.00 -0.57 O ATOM 725 CB LYS A 44 -6.361 -11.439 -6.937 1.00 0.00 C ATOM 726 CG LYS A 44 -6.101 -11.627 -8.439 1.00 0.00 C ATOM 727 CD LYS A 44 -4.606 -11.565 -8.776 1.00 0.00 C ATOM 728 CE LYS A 44 -4.349 -11.972 -10.231 1.00 0.50 C ATOM 729 NZ LYS A 44 -4.005 -13.405 -10.355 1.00 -0.85 N ATOM 0 H LYS A 44 -6.805 -9.157 -6.168 1.00 -0.73 H new ATOM 0 HA LYS A 44 -8.376 -11.056 -7.589 1.00 0.36 H new ATOM 0 HB2 LYS A 44 -5.636 -10.737 -6.525 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.217 -12.387 -6.419 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.505 -12.587 -8.759 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.631 -10.856 -8.998 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.234 -10.554 -8.607 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.052 -12.224 -8.108 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.235 -11.759 -10.829 1.00 0.50 H new ATOM 0 HE3 LYS A 44 -3.538 -11.368 -10.638 1.00 0.50 H new ATOM 0 HZ1 LYS A 44 -3.839 -13.637 -11.355 1.00 -0.85 H new ATOM 0 HZ2 LYS A 44 -3.144 -13.604 -9.806 1.00 -0.85 H new ATOM 0 HZ3 LYS A 44 -4.789 -13.983 -9.991 1.00 -0.85 H new ATOM 743 N GLU A 45 -8.627 -11.158 -4.377 1.00 -0.73 N ATOM 744 CA GLU A 45 -9.284 -11.833 -3.262 1.00 0.36 C ATOM 745 C GLU A 45 -10.573 -11.093 -2.848 1.00 0.57 C ATOM 746 O GLU A 45 -11.397 -11.658 -2.120 1.00 -0.57 O ATOM 747 CB GLU A 45 -8.288 -11.951 -2.100 1.00 0.00 C ATOM 748 CG GLU A 45 -6.994 -12.740 -2.379 1.00 0.06 C ATOM 749 CD GLU A 45 -7.157 -14.234 -2.113 1.00 0.66 C ATOM 750 OE1 GLU A 45 -7.078 -14.641 -0.966 1.00 -0.57 O ATOM 751 OE2 GLU A 45 -7.424 -15.071 -3.112 1.00 -0.65 O ATOM 0 H GLU A 45 -8.284 -10.225 -4.149 1.00 -0.73 H new ATOM 0 HA GLU A 45 -9.589 -12.835 -3.565 1.00 0.36 H new ATOM 0 HB2 GLU A 45 -8.012 -10.945 -1.784 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.799 -12.420 -1.259 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.695 -12.589 -3.416 1.00 0.06 H new ATOM 0 HG3 GLU A 45 -6.191 -12.348 -1.755 1.00 0.06 H new ATOM 759 N ILE A 46 -10.795 -9.856 -3.333 1.00 -0.73 N ATOM 760 CA ILE A 46 -11.940 -9.015 -2.974 1.00 0.36 C ATOM 761 C ILE A 46 -12.537 -8.422 -4.255 1.00 0.57 C ATOM 762 O ILE A 46 -11.794 -7.825 -5.027 1.00 -0.57 O ATOM 763 CB ILE A 46 -11.570 -7.927 -1.929 1.00 0.00 C ATOM 764 CG1 ILE A 46 -10.505 -6.887 -2.361 1.00 0.00 C ATOM 765 CG2 ILE A 46 -11.122 -8.656 -0.659 1.00 0.00 C ATOM 766 CD1 ILE A 46 -10.242 -5.762 -1.347 1.00 0.00 C ATOM 0 H ILE A 46 -10.166 -9.409 -4.000 1.00 -0.73 H new ATOM 0 HA ILE A 46 -12.695 -9.630 -2.485 1.00 0.36 H new ATOM 0 HB ILE A 46 -12.462 -7.319 -1.782 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.567 -7.409 -2.553 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.819 -6.439 -3.304 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -10.852 -7.926 0.104 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -11.936 -9.280 -0.291 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.258 -9.282 -0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.482 -5.087 -1.741 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.164 -5.208 -1.171 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -9.893 -6.192 -0.408 1.00 0.00 H new ATOM 778 N PRO A 47 -13.855 -8.553 -4.514 1.00 -0.66 N ATOM 779 CA PRO A 47 -14.501 -8.101 -5.755 1.00 0.36 C ATOM 780 C PRO A 47 -14.657 -6.565 -5.824 1.00 0.57 C ATOM 781 O PRO A 47 -15.691 -6.031 -6.231 1.00 -0.57 O ATOM 782 CB PRO A 47 -15.818 -8.878 -5.814 1.00 0.00 C ATOM 783 CG PRO A 47 -16.165 -9.144 -4.351 1.00 0.00 C ATOM 784 CD PRO A 47 -14.808 -9.254 -3.668 1.00 0.30 C ATOM 0 HA PRO A 47 -13.895 -8.308 -6.637 1.00 0.36 H new ATOM 0 HB2 PRO A 47 -16.599 -8.301 -6.309 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -15.707 -9.808 -6.372 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -16.761 -8.335 -3.928 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -16.745 -10.060 -4.238 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -14.839 -8.812 -2.672 1.00 0.30 H new ATOM 0 HD3 PRO A 47 -14.521 -10.298 -3.544 1.00 0.30 H new ATOM 792 N LEU A 48 -13.624 -5.845 -5.391 1.00 -0.73 N ATOM 793 CA LEU A 48 -13.556 -4.404 -5.293 1.00 0.36 C ATOM 794 C LEU A 48 -12.949 -3.855 -6.586 1.00 0.57 C ATOM 795 O LEU A 48 -12.114 -4.512 -7.209 1.00 -0.57 O ATOM 796 CB LEU A 48 -12.727 -4.093 -4.038 1.00 0.00 C ATOM 797 CG LEU A 48 -12.959 -2.666 -3.527 1.00 0.00 C ATOM 798 CD1 LEU A 48 -12.908 -2.631 -1.996 1.00 0.00 C ATOM 799 CD2 LEU A 48 -11.936 -1.690 -4.098 1.00 0.00 C ATOM 0 H LEU A 48 -12.760 -6.290 -5.081 1.00 -0.73 H new ATOM 0 HA LEU A 48 -14.530 -3.927 -5.188 1.00 0.36 H new ATOM 0 HB2 LEU A 48 -12.981 -4.804 -3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.669 -4.229 -4.261 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.948 -2.356 -3.864 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.075 -1.611 -1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.682 -3.283 -1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.931 -2.974 -1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.133 -0.690 -3.713 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.933 -2.001 -3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.009 -1.681 -5.186 1.00 0.00 H new ATOM 811 N HIS A 49 -13.392 -2.665 -7.005 1.00 -0.73 N ATOM 812 CA HIS A 49 -13.034 -2.095 -8.297 1.00 0.36 C ATOM 813 C HIS A 49 -12.420 -0.714 -8.063 1.00 0.57 C ATOM 814 O HIS A 49 -12.587 -0.111 -7.000 1.00 -0.57 O ATOM 815 CB HIS A 49 -14.272 -2.052 -9.213 1.00 0.17 C ATOM 816 CG HIS A 49 -14.845 -3.409 -9.586 1.00 0.18 C ATOM 817 ND1 HIS A 49 -15.337 -4.372 -8.726 1.00 -0.70 N ATOM 818 CD2 HIS A 49 -15.000 -3.912 -10.855 1.00 0.20 C ATOM 819 CE1 HIS A 49 -15.747 -5.418 -9.459 1.00 0.65 C ATOM 820 NE2 HIS A 49 -15.573 -5.189 -10.767 1.00 -0.70 N ATOM 0 H HIS A 49 -14.011 -2.072 -6.452 1.00 -0.73 H new ATOM 0 HA HIS A 49 -12.293 -2.712 -8.806 1.00 0.36 H new ATOM 0 HB2 HIS A 49 -15.050 -1.470 -8.719 1.00 0.17 H new ATOM 0 HB3 HIS A 49 -14.009 -1.522 -10.128 1.00 0.17 H new ATOM 0 HD1 HIS A 49 -15.381 -4.300 -7.709 1.00 -0.70 H new ATOM 0 HD2 HIS A 49 -14.726 -3.407 -11.770 1.00 0.20 H new ATOM 0 HE1 HIS A 49 -16.163 -6.326 -9.048 1.00 0.65 H new ATOM 829 N PHE A 50 -11.686 -0.215 -9.061 1.00 -0.73 N ATOM 830 CA PHE A 50 -10.889 0.994 -8.916 1.00 0.36 C ATOM 831 C PHE A 50 -10.971 1.820 -10.201 1.00 0.57 C ATOM 832 O PHE A 50 -11.335 1.307 -11.267 1.00 -0.57 O ATOM 833 CB PHE A 50 -9.422 0.677 -8.537 1.00 0.14 C ATOM 834 CG PHE A 50 -9.187 -0.583 -7.715 1.00 -0.14 C ATOM 835 CD1 PHE A 50 -9.196 -1.838 -8.355 1.00 -0.15 C ATOM 836 CD2 PHE A 50 -8.963 -0.520 -6.324 1.00 -0.15 C ATOM 837 CE1 PHE A 50 -9.035 -3.019 -7.613 1.00 -0.15 C ATOM 838 CE2 PHE A 50 -8.778 -1.704 -5.587 1.00 -0.15 C ATOM 839 CZ PHE A 50 -8.826 -2.954 -6.227 1.00 -0.15 C ATOM 0 H PHE A 50 -11.631 -0.640 -9.987 1.00 -0.73 H new ATOM 0 HA PHE A 50 -11.299 1.580 -8.094 1.00 0.36 H new ATOM 0 HB2 PHE A 50 -8.842 0.597 -9.457 1.00 0.14 H new ATOM 0 HB3 PHE A 50 -9.023 1.526 -7.981 1.00 0.14 H new ATOM 0 HD1 PHE A 50 -9.328 -1.892 -9.426 1.00 -0.15 H new ATOM 0 HD2 PHE A 50 -8.933 0.437 -5.825 1.00 -0.15 H new ATOM 0 HE1 PHE A 50 -9.072 -3.978 -8.109 1.00 -0.15 H new ATOM 0 HE2 PHE A 50 -8.598 -1.652 -4.523 1.00 -0.15 H new ATOM 0 HZ PHE A 50 -8.702 -3.861 -5.654 1.00 -0.15 H new ATOM 849 N ARG A 51 -10.622 3.102 -10.085 1.00 -0.73 N ATOM 850 CA ARG A 51 -10.642 4.081 -11.168 1.00 0.36 C ATOM 851 C ARG A 51 -9.471 5.049 -10.997 1.00 0.57 C ATOM 852 O ARG A 51 -8.713 4.947 -10.030 1.00 -0.57 O ATOM 853 CB ARG A 51 -12.016 4.791 -11.178 1.00 0.00 C ATOM 854 CG ARG A 51 -12.877 4.338 -12.368 1.00 0.00 C ATOM 855 CD ARG A 51 -14.353 4.668 -12.128 1.00 0.33 C ATOM 856 NE ARG A 51 -15.179 4.479 -13.333 1.00 -0.84 N ATOM 857 CZ ARG A 51 -16.524 4.476 -13.353 1.00 1.20 C ATOM 858 NH1 ARG A 51 -17.231 4.749 -12.254 1.00 -0.97 N ATOM 859 NH2 ARG A 51 -17.191 4.200 -14.465 1.00 -0.97 N ATOM 0 H ARG A 51 -10.306 3.500 -9.200 1.00 -0.73 H new ATOM 0 HA ARG A 51 -10.518 3.598 -12.137 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -12.542 4.581 -10.247 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.869 5.870 -11.224 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.533 4.828 -13.279 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.760 3.265 -12.520 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.737 4.037 -11.326 1.00 0.33 H new ATOM 0 HD3 ARG A 51 -14.440 5.701 -11.790 1.00 0.33 H new ATOM 0 HE ARG A 51 -14.694 4.340 -14.220 1.00 -0.84 H new ATOM 0 HH11 ARG A 51 -16.752 4.965 -11.380 1.00 -0.97 H new ATOM 0 HH12 ARG A 51 -18.250 4.742 -12.289 1.00 -0.97 H new ATOM 0 HH21 ARG A 51 -16.684 3.985 -15.324 1.00 -0.97 H new ATOM 0 HH22 ARG A 51 -18.211 4.202 -14.462 1.00 -0.97 H new ATOM 873 N LYS A 52 -9.309 5.983 -11.939 1.00 -0.73 N ATOM 874 CA LYS A 52 -8.213 6.940 -11.941 1.00 0.36 C ATOM 875 C LYS A 52 -8.805 8.303 -12.272 1.00 0.57 C ATOM 876 O LYS A 52 -9.654 8.394 -13.161 1.00 -0.57 O ATOM 877 CB LYS A 52 -7.150 6.505 -12.967 1.00 0.00 C ATOM 878 CG LYS A 52 -5.731 6.815 -12.471 1.00 0.00 C ATOM 879 CD LYS A 52 -4.660 6.547 -13.535 1.00 0.00 C ATOM 880 CE LYS A 52 -4.565 5.061 -13.883 1.00 0.50 C ATOM 881 NZ LYS A 52 -4.502 4.784 -15.324 1.00 -0.85 N ATOM 0 H LYS A 52 -9.946 6.092 -12.728 1.00 -0.73 H new ATOM 0 HA LYS A 52 -7.717 6.989 -10.972 1.00 0.36 H new ATOM 0 HB2 LYS A 52 -7.244 5.436 -13.159 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.326 7.016 -13.914 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.678 7.859 -12.163 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.519 6.212 -11.588 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.891 7.117 -14.435 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.693 6.898 -13.174 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.679 4.643 -13.405 1.00 0.50 H new ATOM 0 HE3 LYS A 52 -5.428 4.545 -13.462 1.00 0.50 H new ATOM 0 HZ1 LYS A 52 -5.038 3.918 -15.535 1.00 -0.85 H new ATOM 0 HZ2 LYS A 52 -4.913 5.582 -15.849 1.00 -0.85 H new ATOM 0 HZ3 LYS A 52 -3.510 4.656 -15.610 1.00 -0.85 H new ATOM 895 N VAL A 53 -8.384 9.348 -11.565 1.00 -0.73 N ATOM 896 CA VAL A 53 -8.822 10.715 -11.844 1.00 0.36 C ATOM 897 C VAL A 53 -7.950 11.332 -12.943 1.00 0.57 C ATOM 898 O VAL A 53 -6.867 10.827 -13.254 1.00 -0.57 O ATOM 899 CB VAL A 53 -8.817 11.575 -10.562 1.00 0.00 C ATOM 900 CG1 VAL A 53 -9.667 10.964 -9.442 1.00 0.00 C ATOM 901 CG2 VAL A 53 -7.400 11.764 -10.031 1.00 0.00 C ATOM 0 H VAL A 53 -7.732 9.273 -10.785 1.00 -0.73 H new ATOM 0 HA VAL A 53 -9.851 10.686 -12.203 1.00 0.36 H new ATOM 0 HB VAL A 53 -9.246 12.535 -10.849 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.629 11.608 -8.564 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.699 10.870 -9.779 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.278 9.979 -9.186 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.428 12.374 -9.128 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.966 10.792 -9.799 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.792 12.262 -10.786 1.00 0.00 H new ATOM 911 N VAL A 54 -8.405 12.462 -13.498 1.00 -0.73 N ATOM 912 CA VAL A 54 -7.765 13.164 -14.609 1.00 0.36 C ATOM 913 C VAL A 54 -7.808 14.685 -14.413 1.00 0.57 C ATOM 914 O VAL A 54 -7.756 15.415 -15.405 1.00 -0.57 O ATOM 915 CB VAL A 54 -8.379 12.705 -15.955 1.00 0.00 C ATOM 916 CG1 VAL A 54 -8.120 11.212 -16.230 1.00 0.00 C ATOM 917 CG2 VAL A 54 -9.893 12.966 -16.054 1.00 0.00 C ATOM 0 H VAL A 54 -9.255 12.924 -13.174 1.00 -0.73 H new ATOM 0 HA VAL A 54 -6.708 12.901 -14.632 1.00 0.36 H new ATOM 0 HB VAL A 54 -7.875 13.311 -16.708 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.568 10.935 -17.184 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.046 11.030 -16.267 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.562 10.613 -15.434 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -10.259 12.621 -17.021 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -10.408 12.428 -15.258 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.085 14.034 -15.953 1.00 0.00 H new ATOM 927 N TRP A 55 -7.886 15.148 -13.148 1.00 -0.73 N ATOM 928 CA TRP A 55 -8.039 16.568 -12.794 1.00 0.36 C ATOM 929 C TRP A 55 -7.152 16.970 -11.614 1.00 0.57 C ATOM 930 O TRP A 55 -6.372 17.908 -11.738 1.00 -0.57 O ATOM 931 CB TRP A 55 -9.514 16.882 -12.476 1.00 0.18 C ATOM 932 CG TRP A 55 -10.230 17.702 -13.500 1.00 -0.18 C ATOM 933 CD1 TRP A 55 -9.877 18.953 -13.876 1.00 -0.30 C ATOM 934 CD2 TRP A 55 -11.434 17.384 -14.267 1.00 0.00 C ATOM 935 NE1 TRP A 55 -10.751 19.418 -14.831 1.00 0.03 N ATOM 936 CE2 TRP A 55 -11.750 18.504 -15.098 1.00 -0.15 C ATOM 937 CE3 TRP A 55 -12.295 16.267 -14.346 1.00 -0.15 C ATOM 938 CZ2 TRP A 55 -12.865 18.519 -15.951 1.00 -0.15 C ATOM 939 CZ3 TRP A 55 -13.411 16.267 -15.207 1.00 -0.15 C ATOM 940 CH2 TRP A 55 -13.699 17.391 -16.004 1.00 -0.15 C ATOM 0 H TRP A 55 -7.843 14.534 -12.335 1.00 -0.73 H new ATOM 0 HA TRP A 55 -7.719 17.152 -13.657 1.00 0.36 H new ATOM 0 HB2 TRP A 55 -10.049 15.941 -12.350 1.00 0.18 H new ATOM 0 HB3 TRP A 55 -9.559 17.405 -11.521 1.00 0.18 H new ATOM 0 HD1 TRP A 55 -9.035 19.504 -13.485 1.00 -0.30 H new ATOM 0 HE1 TRP A 55 -10.671 20.327 -15.286 1.00 0.03 H new ATOM 0 HE3 TRP A 55 -12.095 15.398 -13.736 1.00 -0.15 H new ATOM 0 HZ2 TRP A 55 -13.078 19.386 -16.558 1.00 -0.15 H new ATOM 0 HZ3 TRP A 55 -14.050 15.398 -15.256 1.00 -0.15 H new ATOM 0 HH2 TRP A 55 -14.560 17.386 -16.655 1.00 -0.15 H new ATOM 951 N GLY A 56 -7.259 16.277 -10.480 1.00 -0.73 N ATOM 952 CA GLY A 56 -6.600 16.661 -9.244 1.00 0.36 C ATOM 953 C GLY A 56 -6.194 15.420 -8.470 1.00 0.57 C ATOM 954 O GLY A 56 -5.955 14.368 -9.066 1.00 -0.57 O ATOM 0 H GLY A 56 -7.813 15.425 -10.399 1.00 -0.73 H new ATOM 0 HA2 GLY A 56 -5.721 17.268 -9.463 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -7.269 17.275 -8.640 1.00 0.36 H new ATOM 958 N THR A 57 -6.102 15.553 -7.146 1.00 -0.73 N ATOM 959 CA THR A 57 -5.916 14.415 -6.258 1.00 0.36 C ATOM 960 C THR A 57 -7.187 13.540 -6.234 1.00 0.57 C ATOM 961 O THR A 57 -8.209 13.876 -6.840 1.00 -0.57 O ATOM 962 CB THR A 57 -5.443 14.920 -4.883 1.00 0.28 C ATOM 963 OG1 THR A 57 -4.885 13.847 -4.177 1.00 -0.68 O ATOM 964 CG2 THR A 57 -6.521 15.562 -4.007 1.00 0.00 C ATOM 0 H THR A 57 -6.155 16.451 -6.665 1.00 -0.73 H new ATOM 0 HA THR A 57 -5.131 13.753 -6.622 1.00 0.36 H new ATOM 0 HB THR A 57 -4.724 15.711 -5.098 1.00 0.28 H new ATOM 0 HG1 THR A 57 -4.578 14.157 -3.299 1.00 -0.68 H new ATOM 0 HG21 THR A 57 -6.080 15.882 -3.063 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.942 16.426 -4.522 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.311 14.836 -3.811 1.00 0.00 H new ATOM 972 N ALA A 58 -7.116 12.409 -5.533 1.00 -0.73 N ATOM 973 CA ALA A 58 -8.127 11.362 -5.512 1.00 0.36 C ATOM 974 C ALA A 58 -8.327 10.856 -4.079 1.00 0.57 C ATOM 975 O ALA A 58 -7.696 11.351 -3.139 1.00 -0.57 O ATOM 976 CB ALA A 58 -7.673 10.248 -6.458 1.00 0.00 C ATOM 0 H ALA A 58 -6.316 12.192 -4.939 1.00 -0.73 H new ATOM 0 HA ALA A 58 -9.091 11.741 -5.851 1.00 0.36 H new ATOM 0 HB1 ALA A 58 -8.414 9.449 -6.461 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.566 10.648 -7.466 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -6.715 9.853 -6.121 1.00 0.00 H new ATOM 982 N ASP A 59 -9.205 9.861 -3.897 1.00 -0.73 N ATOM 983 CA ASP A 59 -9.373 9.255 -2.575 1.00 0.36 C ATOM 984 C ASP A 59 -8.106 8.494 -2.158 1.00 0.57 C ATOM 985 O ASP A 59 -7.754 8.576 -0.982 1.00 -0.57 O ATOM 986 CB ASP A 59 -10.664 8.427 -2.437 1.00 0.06 C ATOM 987 CG ASP A 59 -10.832 7.274 -3.447 1.00 0.66 C ATOM 988 OD1 ASP A 59 -11.774 7.323 -4.221 1.00 -0.57 O ATOM 989 OD2 ASP A 59 -9.981 6.252 -3.461 1.00 -0.65 O ATOM 0 H ASP A 59 -9.795 9.468 -4.630 1.00 -0.73 H new ATOM 0 HA ASP A 59 -9.506 10.069 -1.863 1.00 0.36 H new ATOM 0 HB2 ASP A 59 -10.701 8.011 -1.430 1.00 0.06 H new ATOM 0 HB3 ASP A 59 -11.517 9.099 -2.536 1.00 0.06 H new ATOM 995 N ILE A 60 -7.364 7.892 -3.102 1.00 -0.73 N ATOM 996 CA ILE A 60 -6.095 7.193 -2.855 1.00 0.36 C ATOM 997 C ILE A 60 -5.027 7.823 -3.762 1.00 0.57 C ATOM 998 O ILE A 60 -4.644 7.267 -4.795 1.00 -0.57 O ATOM 999 CB ILE A 60 -6.284 5.664 -3.056 1.00 0.00 C ATOM 1000 CG1 ILE A 60 -7.288 5.091 -2.032 1.00 0.00 C ATOM 1001 CG2 ILE A 60 -4.965 4.866 -2.930 1.00 0.00 C ATOM 1002 CD1 ILE A 60 -7.904 3.767 -2.486 1.00 0.00 C ATOM 0 H ILE A 60 -7.639 7.879 -4.084 1.00 -0.73 H new ATOM 0 HA ILE A 60 -5.759 7.307 -1.825 1.00 0.36 H new ATOM 0 HB ILE A 60 -6.661 5.551 -4.072 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.783 4.943 -1.078 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -8.083 5.818 -1.863 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.166 3.805 -3.081 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.257 5.212 -3.683 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.541 5.018 -1.937 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.601 3.411 -1.728 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -8.435 3.916 -3.426 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.115 3.029 -2.628 1.00 0.00 H new ATOM 1014 N MET A 61 -4.567 9.034 -3.442 1.00 -0.73 N ATOM 1015 CA MET A 61 -3.429 9.593 -4.161 1.00 0.36 C ATOM 1016 C MET A 61 -2.116 8.988 -3.661 1.00 0.57 C ATOM 1017 O MET A 61 -1.992 8.560 -2.515 1.00 -0.57 O ATOM 1018 CB MET A 61 -3.423 11.119 -4.113 1.00 0.00 C ATOM 1019 CG MET A 61 -3.106 11.705 -2.735 1.00 0.23 C ATOM 1020 SD MET A 61 -1.744 12.891 -2.647 1.00 -0.46 S ATOM 1021 CE MET A 61 -0.572 11.916 -1.674 1.00 0.23 C ATOM 0 H MET A 61 -4.954 9.630 -2.710 1.00 -0.73 H new ATOM 0 HA MET A 61 -3.530 9.321 -5.212 1.00 0.36 H new ATOM 0 HB2 MET A 61 -2.691 11.490 -4.830 1.00 0.00 H new ATOM 0 HB3 MET A 61 -4.398 11.485 -4.435 1.00 0.00 H new ATOM 0 HG2 MET A 61 -4.005 12.192 -2.358 1.00 0.23 H new ATOM 0 HG3 MET A 61 -2.882 10.880 -2.058 1.00 0.23 H new ATOM 0 HE1 MET A 61 -0.516 12.318 -0.662 1.00 0.23 H new ATOM 0 HE2 MET A 61 -0.906 10.879 -1.635 1.00 0.23 H new ATOM 0 HE3 MET A 61 0.413 11.963 -2.138 1.00 0.23 H new ATOM 1031 N ILE A 62 -1.115 9.014 -4.531 1.00 -0.73 N ATOM 1032 CA ILE A 62 0.211 8.471 -4.323 1.00 0.36 C ATOM 1033 C ILE A 62 1.145 9.613 -4.729 1.00 0.57 C ATOM 1034 O ILE A 62 1.006 10.177 -5.819 1.00 -0.57 O ATOM 1035 CB ILE A 62 0.393 7.211 -5.205 1.00 0.00 C ATOM 1036 CG1 ILE A 62 -0.653 6.095 -4.944 1.00 0.00 C ATOM 1037 CG2 ILE A 62 1.794 6.610 -5.018 1.00 0.00 C ATOM 1038 CD1 ILE A 62 -1.076 5.399 -6.239 1.00 0.00 C ATOM 0 H ILE A 62 -1.218 9.440 -5.452 1.00 -0.73 H new ATOM 0 HA ILE A 62 0.407 8.149 -3.300 1.00 0.36 H new ATOM 0 HB ILE A 62 0.250 7.564 -6.226 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.236 5.360 -4.256 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.530 6.525 -4.459 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.898 5.726 -5.648 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.546 7.347 -5.300 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.933 6.330 -3.974 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.809 4.624 -6.013 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.517 6.129 -6.917 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.204 4.947 -6.711 1.00 0.00 H new ATOM 1050 N GLY A 63 2.083 9.975 -3.855 1.00 -0.73 N ATOM 1051 CA GLY A 63 3.060 11.015 -4.143 1.00 0.36 C ATOM 1052 C GLY A 63 4.395 10.705 -3.486 1.00 0.57 C ATOM 1053 O GLY A 63 4.466 9.906 -2.558 1.00 -0.57 O ATOM 0 H GLY A 63 2.184 9.555 -2.931 1.00 -0.73 H new ATOM 0 HA2 GLY A 63 3.193 11.105 -5.221 1.00 0.36 H new ATOM 0 HA3 GLY A 63 2.689 11.976 -3.786 1.00 0.36 H new ATOM 1057 N PHE A 64 5.448 11.364 -3.956 1.00 -0.73 N ATOM 1058 CA PHE A 64 6.818 11.092 -3.547 1.00 0.36 C ATOM 1059 C PHE A 64 7.454 12.452 -3.296 1.00 0.57 C ATOM 1060 O PHE A 64 7.165 13.414 -4.028 1.00 -0.57 O ATOM 1061 CB PHE A 64 7.591 10.259 -4.601 1.00 0.14 C ATOM 1062 CG PHE A 64 6.867 9.018 -5.107 1.00 -0.14 C ATOM 1063 CD1 PHE A 64 5.727 9.176 -5.906 1.00 -0.15 C ATOM 1064 CD2 PHE A 64 7.264 7.719 -4.740 1.00 -0.15 C ATOM 1065 CE1 PHE A 64 4.910 8.089 -6.232 1.00 -0.15 C ATOM 1066 CE2 PHE A 64 6.431 6.624 -5.033 1.00 -0.15 C ATOM 1067 CZ PHE A 64 5.237 6.818 -5.750 1.00 -0.15 C ATOM 0 H PHE A 64 5.371 12.114 -4.643 1.00 -0.73 H new ATOM 0 HA PHE A 64 6.846 10.478 -2.647 1.00 0.36 H new ATOM 0 HB2 PHE A 64 7.817 10.901 -5.453 1.00 0.14 H new ATOM 0 HB3 PHE A 64 8.545 9.953 -4.170 1.00 0.14 H new ATOM 0 HD1 PHE A 64 5.474 10.158 -6.278 1.00 -0.15 H new ATOM 0 HD2 PHE A 64 8.206 7.563 -4.235 1.00 -0.15 H new ATOM 0 HE1 PHE A 64 4.035 8.230 -6.850 1.00 -0.15 H new ATOM 0 HE2 PHE A 64 6.709 5.633 -4.707 1.00 -0.15 H new ATOM 0 HZ PHE A 64 4.573 5.985 -5.928 1.00 -0.15 H new ATOM 1077 N ALA A 65 8.262 12.531 -2.239 1.00 -0.73 N ATOM 1078 CA ALA A 65 8.987 13.722 -1.817 1.00 0.36 C ATOM 1079 C ALA A 65 10.321 13.292 -1.201 1.00 0.57 C ATOM 1080 O ALA A 65 10.635 12.107 -1.172 1.00 -0.57 O ATOM 1081 CB ALA A 65 8.142 14.514 -0.812 1.00 0.00 C ATOM 0 H ALA A 65 8.434 11.731 -1.630 1.00 -0.73 H new ATOM 0 HA ALA A 65 9.184 14.369 -2.671 1.00 0.36 H new ATOM 0 HB1 ALA A 65 8.688 15.404 -0.499 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.203 14.810 -1.280 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.933 13.892 0.058 1.00 0.00 H new ATOM 1087 N ARG A 66 11.116 14.245 -0.714 1.00 -0.73 N ATOM 1088 CA ARG A 66 12.498 14.019 -0.294 1.00 0.36 C ATOM 1089 C ARG A 66 12.767 14.714 1.045 1.00 0.57 C ATOM 1090 O ARG A 66 13.648 15.564 1.150 1.00 -0.57 O ATOM 1091 CB ARG A 66 13.482 14.404 -1.424 1.00 0.00 C ATOM 1092 CG ARG A 66 13.409 15.867 -1.923 1.00 0.00 C ATOM 1093 CD ARG A 66 12.498 16.082 -3.143 1.00 0.33 C ATOM 1094 NE ARG A 66 12.323 17.516 -3.463 1.00 -0.84 N ATOM 1095 CZ ARG A 66 13.165 18.293 -4.170 1.00 1.20 C ATOM 1096 NH1 ARG A 66 14.308 17.820 -4.654 1.00 -0.97 N ATOM 1097 NH2 ARG A 66 12.858 19.565 -4.406 1.00 -0.97 N ATOM 0 H ARG A 66 10.812 15.212 -0.599 1.00 -0.73 H new ATOM 0 HA ARG A 66 12.664 12.957 -0.116 1.00 0.36 H new ATOM 0 HB2 ARG A 66 14.497 14.211 -1.076 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.305 13.743 -2.273 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.057 16.498 -1.107 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.415 16.202 -2.174 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.921 15.568 -4.006 1.00 0.33 H new ATOM 0 HD3 ARG A 66 11.524 15.633 -2.951 1.00 0.33 H new ATOM 0 HE ARG A 66 11.476 17.962 -3.111 1.00 -0.84 H new ATOM 0 HH11 ARG A 66 14.566 16.846 -4.493 1.00 -0.97 H new ATOM 0 HH12 ARG A 66 14.928 18.430 -5.186 1.00 -0.97 H new ATOM 0 HH21 ARG A 66 11.984 19.953 -4.051 1.00 -0.97 H new ATOM 0 HH22 ARG A 66 13.497 20.153 -4.942 1.00 -0.97 H new ATOM 1111 N GLY A 67 11.916 14.451 2.042 1.00 -0.73 N ATOM 1112 CA GLY A 67 11.954 15.120 3.336 1.00 0.36 C ATOM 1113 C GLY A 67 10.678 15.928 3.536 1.00 0.57 C ATOM 1114 O GLY A 67 9.595 15.480 3.154 1.00 -0.57 O ATOM 0 H GLY A 67 11.173 13.757 1.967 1.00 -0.73 H new ATOM 0 HA2 GLY A 67 12.058 14.384 4.133 1.00 0.36 H new ATOM 0 HA3 GLY A 67 12.823 15.776 3.392 1.00 0.36 H new ATOM 1118 N ALA A 68 10.810 17.121 4.130 1.00 -0.73 N ATOM 1119 CA ALA A 68 9.713 18.056 4.352 1.00 0.36 C ATOM 1120 C ALA A 68 8.852 18.194 3.094 1.00 0.57 C ATOM 1121 O ALA A 68 9.389 18.407 2.005 1.00 -0.57 O ATOM 1122 CB ALA A 68 10.272 19.421 4.768 1.00 0.00 C ATOM 0 H ALA A 68 11.706 17.466 4.476 1.00 -0.73 H new ATOM 0 HA ALA A 68 9.082 17.669 5.152 1.00 0.36 H new ATOM 0 HB1 ALA A 68 9.449 20.116 4.933 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.846 19.314 5.688 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.919 19.805 3.979 1.00 0.00 H new ATOM 1128 N HIS A 69 7.531 18.087 3.269 1.00 -0.73 N ATOM 1129 CA HIS A 69 6.535 18.172 2.210 1.00 0.36 C ATOM 1130 C HIS A 69 5.216 18.683 2.790 1.00 0.57 C ATOM 1131 O HIS A 69 4.961 18.512 3.995 1.00 -0.57 O ATOM 1132 CB HIS A 69 6.359 16.798 1.525 1.00 0.17 C ATOM 1133 CG HIS A 69 5.891 15.638 2.379 1.00 0.18 C ATOM 1134 ND1 HIS A 69 5.544 15.653 3.713 1.00 -0.70 N ATOM 1135 CD2 HIS A 69 5.724 14.347 1.950 1.00 0.20 C ATOM 1136 CE1 HIS A 69 5.208 14.404 4.073 1.00 0.65 C ATOM 1137 NE2 HIS A 69 5.275 13.578 3.023 1.00 -0.70 N ATOM 0 H HIS A 69 7.116 17.933 4.188 1.00 -0.73 H new ATOM 0 HA HIS A 69 6.871 18.876 1.449 1.00 0.36 H new ATOM 0 HB2 HIS A 69 5.649 16.920 0.707 1.00 0.17 H new ATOM 0 HB3 HIS A 69 7.314 16.521 1.079 1.00 0.17 H new ATOM 0 HD1 HIS A 69 5.543 16.472 4.321 1.00 -0.70 H new ATOM 0 HD2 HIS A 69 5.909 13.986 0.949 1.00 0.20 H new ATOM 0 HE1 HIS A 69 4.923 14.107 5.072 1.00 0.65 H new ATOM 1146 N GLY A 70 4.390 19.263 1.903 1.00 -0.73 N ATOM 1147 CA GLY A 70 3.036 19.705 2.184 1.00 0.36 C ATOM 1148 C GLY A 70 2.144 18.487 2.397 1.00 0.57 C ATOM 1149 O GLY A 70 1.654 17.891 1.441 1.00 -0.57 O ATOM 0 H GLY A 70 4.669 19.438 0.938 1.00 -0.73 H new ATOM 0 HA2 GLY A 70 3.024 20.338 3.071 1.00 0.36 H new ATOM 0 HA3 GLY A 70 2.658 20.307 1.357 1.00 0.36 H new ATOM 1153 N ASP A 71 2.001 18.091 3.658 1.00 -0.73 N ATOM 1154 CA ASP A 71 1.229 16.942 4.099 1.00 0.36 C ATOM 1155 C ASP A 71 0.693 17.241 5.495 1.00 0.57 C ATOM 1156 O ASP A 71 -0.418 17.748 5.629 1.00 -0.57 O ATOM 1157 CB ASP A 71 2.154 15.720 4.091 1.00 0.06 C ATOM 1158 CG ASP A 71 1.552 14.486 4.755 1.00 0.66 C ATOM 1159 OD1 ASP A 71 0.343 14.325 4.715 1.00 -0.57 O ATOM 1160 OD2 ASP A 71 2.423 13.664 5.335 1.00 -0.65 O ATOM 0 H ASP A 71 2.441 18.587 4.433 1.00 -0.73 H new ATOM 0 HA ASP A 71 0.383 16.737 3.444 1.00 0.36 H new ATOM 0 HB2 ASP A 71 2.410 15.477 3.060 1.00 0.06 H new ATOM 0 HB3 ASP A 71 3.084 15.977 4.599 1.00 0.06 H new ATOM 1166 N SER A 72 1.508 16.976 6.522 1.00 -0.73 N ATOM 1167 CA SER A 72 1.168 17.129 7.930 1.00 0.36 C ATOM 1168 C SER A 72 2.426 16.911 8.781 1.00 0.57 C ATOM 1169 O SER A 72 2.680 17.662 9.723 1.00 -0.57 O ATOM 1170 CB SER A 72 0.079 16.107 8.301 1.00 0.28 C ATOM 1171 OG SER A 72 -0.714 16.584 9.366 1.00 -0.68 O ATOM 0 H SER A 72 2.459 16.636 6.383 1.00 -0.73 H new ATOM 0 HA SER A 72 0.787 18.133 8.118 1.00 0.36 H new ATOM 0 HB2 SER A 72 -0.550 15.909 7.434 1.00 0.28 H new ATOM 0 HB3 SER A 72 0.542 15.161 8.582 1.00 0.28 H new ATOM 0 HG SER A 72 -1.401 15.920 9.585 1.00 -0.68 H new ATOM 1177 N TYR A 73 3.265 15.938 8.394 1.00 -0.73 N ATOM 1178 CA TYR A 73 4.484 15.581 9.106 1.00 0.36 C ATOM 1179 C TYR A 73 5.663 15.698 8.148 1.00 0.57 C ATOM 1180 O TYR A 73 5.521 15.313 6.985 1.00 -0.57 O ATOM 1181 CB TYR A 73 4.358 14.151 9.650 1.00 0.14 C ATOM 1182 CG TYR A 73 3.247 14.025 10.671 1.00 -0.14 C ATOM 1183 CD1 TYR A 73 3.451 14.535 11.964 1.00 -0.15 C ATOM 1184 CD2 TYR A 73 1.991 13.498 10.308 1.00 -0.15 C ATOM 1185 CE1 TYR A 73 2.394 14.551 12.886 1.00 -0.15 C ATOM 1186 CE2 TYR A 73 0.929 13.502 11.233 1.00 -0.15 C ATOM 1187 CZ TYR A 73 1.126 14.046 12.527 1.00 0.08 C ATOM 1188 OH TYR A 73 0.107 14.103 13.432 1.00 -0.53 O ATOM 0 H TYR A 73 3.105 15.372 7.561 1.00 -0.73 H new ATOM 0 HA TYR A 73 4.644 16.254 9.948 1.00 0.36 H new ATOM 0 HB2 TYR A 73 4.170 13.465 8.824 1.00 0.14 H new ATOM 0 HB3 TYR A 73 5.303 13.852 10.104 1.00 0.14 H new ATOM 0 HD1 TYR A 73 4.421 14.915 12.248 1.00 -0.15 H new ATOM 0 HD2 TYR A 73 1.843 13.090 9.319 1.00 -0.15 H new ATOM 0 HE1 TYR A 73 2.551 14.952 13.876 1.00 -0.15 H new ATOM 0 HE2 TYR A 73 -0.032 13.092 10.958 1.00 -0.15 H new ATOM 0 HH TYR A 73 -0.703 13.718 13.037 1.00 -0.53 H new ATOM 1198 N PRO A 74 6.820 16.220 8.582 1.00 -0.66 N ATOM 1199 CA PRO A 74 8.030 16.111 7.794 1.00 0.36 C ATOM 1200 C PRO A 74 8.478 14.645 7.755 1.00 0.57 C ATOM 1201 O PRO A 74 8.341 13.898 8.726 1.00 -0.57 O ATOM 1202 CB PRO A 74 9.036 17.068 8.445 1.00 0.00 C ATOM 1203 CG PRO A 74 8.545 17.271 9.881 1.00 0.00 C ATOM 1204 CD PRO A 74 7.068 16.866 9.863 1.00 0.30 C ATOM 0 HA PRO A 74 7.905 16.395 6.749 1.00 0.36 H new ATOM 0 HB2 PRO A 74 10.042 16.648 8.431 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.079 18.016 7.908 1.00 0.00 H new ATOM 0 HG2 PRO A 74 9.113 16.658 10.581 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.665 18.308 10.195 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.844 16.188 10.687 1.00 0.30 H new ATOM 0 HD3 PRO A 74 6.427 17.739 9.985 1.00 0.30 H new ATOM 1212 N PHE A 75 9.011 14.223 6.604 1.00 -0.73 N ATOM 1213 CA PHE A 75 9.790 12.997 6.492 1.00 0.36 C ATOM 1214 C PHE A 75 11.182 13.204 7.124 1.00 0.57 C ATOM 1215 O PHE A 75 11.514 14.253 7.686 1.00 -0.57 O ATOM 1216 CB PHE A 75 9.871 12.559 5.011 1.00 0.14 C ATOM 1217 CG PHE A 75 8.781 11.648 4.478 1.00 -0.14 C ATOM 1218 CD1 PHE A 75 8.512 10.415 5.104 1.00 -0.15 C ATOM 1219 CD2 PHE A 75 8.167 11.949 3.247 1.00 -0.15 C ATOM 1220 CE1 PHE A 75 7.641 9.491 4.503 1.00 -0.15 C ATOM 1221 CE2 PHE A 75 7.312 11.016 2.634 1.00 -0.15 C ATOM 1222 CZ PHE A 75 7.058 9.784 3.258 1.00 -0.15 C ATOM 0 H PHE A 75 8.911 14.728 5.723 1.00 -0.73 H new ATOM 0 HA PHE A 75 9.301 12.191 7.040 1.00 0.36 H new ATOM 0 HB2 PHE A 75 9.884 13.459 4.397 1.00 0.14 H new ATOM 0 HB3 PHE A 75 10.828 12.058 4.863 1.00 0.14 H new ATOM 0 HD1 PHE A 75 8.977 10.179 6.050 1.00 -0.15 H new ATOM 0 HD2 PHE A 75 8.354 12.901 2.772 1.00 -0.15 H new ATOM 0 HE1 PHE A 75 7.420 8.557 4.997 1.00 -0.15 H new ATOM 0 HE2 PHE A 75 6.851 11.247 1.685 1.00 -0.15 H new ATOM 0 HZ PHE A 75 6.414 9.060 2.781 1.00 -0.15 H new ATOM 1232 N ASP A 76 11.980 12.153 7.011 1.00 -0.73 N ATOM 1233 CA ASP A 76 13.280 11.895 7.604 1.00 0.36 C ATOM 1234 C ASP A 76 14.401 11.956 6.547 1.00 0.57 C ATOM 1235 O ASP A 76 15.476 12.446 6.876 1.00 -0.57 O ATOM 1236 CB ASP A 76 13.202 10.459 8.185 1.00 0.06 C ATOM 1237 CG ASP A 76 12.694 9.385 7.203 1.00 0.66 C ATOM 1238 OD1 ASP A 76 12.266 9.714 6.109 1.00 -0.57 O ATOM 1239 OD2 ASP A 76 12.716 8.106 7.566 1.00 -0.65 O ATOM 0 H ASP A 76 11.694 11.365 6.429 1.00 -0.73 H new ATOM 0 HA ASP A 76 13.511 12.643 8.363 1.00 0.36 H new ATOM 0 HB2 ASP A 76 14.193 10.170 8.534 1.00 0.06 H new ATOM 0 HB3 ASP A 76 12.548 10.471 9.057 1.00 0.06 H new ATOM 1245 N GLY A 77 14.181 11.469 5.314 1.00 -0.73 N ATOM 1246 CA GLY A 77 15.206 11.364 4.274 1.00 0.36 C ATOM 1247 C GLY A 77 15.801 9.945 4.220 1.00 0.57 C ATOM 1248 O GLY A 77 15.069 9.007 4.524 1.00 -0.57 O ATOM 0 H GLY A 77 13.267 11.132 5.012 1.00 -0.73 H new ATOM 0 HA2 GLY A 77 14.773 11.617 3.306 1.00 0.36 H new ATOM 0 HA3 GLY A 77 15.999 12.087 4.467 1.00 0.36 H new ATOM 1252 N PRO A 78 17.073 9.754 3.807 1.00 -0.66 N ATOM 1253 CA PRO A 78 17.678 8.457 3.477 1.00 0.36 C ATOM 1254 C PRO A 78 18.048 7.587 4.702 1.00 0.57 C ATOM 1255 O PRO A 78 19.219 7.434 5.083 1.00 -0.57 O ATOM 1256 CB PRO A 78 18.861 8.777 2.557 1.00 0.00 C ATOM 1257 CG PRO A 78 19.279 10.184 2.975 1.00 0.00 C ATOM 1258 CD PRO A 78 17.984 10.832 3.458 1.00 0.30 C ATOM 0 HA PRO A 78 16.953 7.817 2.974 1.00 0.36 H new ATOM 0 HB2 PRO A 78 19.674 8.063 2.688 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.572 8.741 1.507 1.00 0.00 H new ATOM 0 HG2 PRO A 78 20.030 10.158 3.765 1.00 0.00 H new ATOM 0 HG3 PRO A 78 19.713 10.735 2.140 1.00 0.00 H new ATOM 0 HD2 PRO A 78 18.171 11.473 4.320 1.00 0.30 H new ATOM 0 HD3 PRO A 78 17.555 11.463 2.679 1.00 0.30 H new ATOM 1266 N GLY A 79 17.038 6.982 5.324 1.00 -0.73 N ATOM 1267 CA GLY A 79 17.113 6.055 6.451 1.00 0.36 C ATOM 1268 C GLY A 79 15.759 6.029 7.165 1.00 0.57 C ATOM 1269 O GLY A 79 14.920 6.867 6.873 1.00 -0.57 O ATOM 0 H GLY A 79 16.074 7.139 5.031 1.00 -0.73 H new ATOM 0 HA2 GLY A 79 17.373 5.056 6.100 1.00 0.36 H new ATOM 0 HA3 GLY A 79 17.897 6.365 7.142 1.00 0.36 H new ATOM 1273 N ASN A 80 15.557 5.127 8.136 1.00 -0.73 N ATOM 1274 CA ASN A 80 14.298 4.931 8.882 1.00 0.36 C ATOM 1275 C ASN A 80 13.099 4.598 7.957 1.00 0.57 C ATOM 1276 O ASN A 80 13.247 3.801 7.028 1.00 -0.57 O ATOM 1277 CB ASN A 80 13.977 6.087 9.861 1.00 0.06 C ATOM 1278 CG ASN A 80 15.154 6.773 10.545 1.00 0.57 C ATOM 1279 OD1 ASN A 80 16.000 6.144 11.172 1.00 -0.57 O ATOM 1280 ND2 ASN A 80 15.178 8.101 10.518 1.00 -0.80 N ATOM 0 H ASN A 80 16.292 4.488 8.438 1.00 -0.73 H new ATOM 0 HA ASN A 80 14.467 4.052 9.503 1.00 0.36 H new ATOM 0 HB2 ASN A 80 13.416 6.845 9.315 1.00 0.06 H new ATOM 0 HB3 ASN A 80 13.316 5.699 10.636 1.00 0.06 H new ATOM 0 HD21 ASN A 80 15.905 8.608 11.022 1.00 -0.80 H new ATOM 0 HD22 ASN A 80 14.469 8.613 9.993 1.00 -0.80 H new ATOM 1287 N THR A 81 11.893 5.101 8.284 1.00 -0.73 N ATOM 1288 CA THR A 81 10.642 5.016 7.524 1.00 0.36 C ATOM 1289 C THR A 81 10.896 5.243 6.024 1.00 0.57 C ATOM 1290 O THR A 81 11.521 6.221 5.669 1.00 -0.57 O ATOM 1291 CB THR A 81 9.697 6.103 8.088 1.00 0.28 C ATOM 1292 OG1 THR A 81 9.712 6.108 9.509 1.00 -0.68 O ATOM 1293 CG2 THR A 81 8.243 5.959 7.628 1.00 0.00 C ATOM 0 H THR A 81 11.764 5.616 9.155 1.00 -0.73 H new ATOM 0 HA THR A 81 10.198 4.026 7.625 1.00 0.36 H new ATOM 0 HB THR A 81 10.085 7.041 7.692 1.00 0.28 H new ATOM 0 HG1 THR A 81 9.108 6.805 9.840 1.00 -0.68 H new ATOM 0 HG21 THR A 81 7.642 6.757 8.065 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.197 6.024 6.541 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.853 4.994 7.951 1.00 0.00 H new ATOM 1301 N LEU A 82 10.405 4.391 5.123 1.00 -0.73 N ATOM 1302 CA LEU A 82 10.573 4.530 3.673 1.00 0.36 C ATOM 1303 C LEU A 82 9.342 5.156 2.993 1.00 0.57 C ATOM 1304 O LEU A 82 9.472 5.799 1.951 1.00 -0.57 O ATOM 1305 CB LEU A 82 10.893 3.146 3.066 1.00 0.00 C ATOM 1306 CG LEU A 82 12.142 2.446 3.650 1.00 0.00 C ATOM 1307 CD1 LEU A 82 12.410 1.116 2.942 1.00 0.00 C ATOM 1308 CD2 LEU A 82 13.392 3.307 3.504 1.00 0.00 C ATOM 0 H LEU A 82 9.867 3.565 5.386 1.00 -0.73 H new ATOM 0 HA LEU A 82 11.402 5.215 3.492 1.00 0.36 H new ATOM 0 HB2 LEU A 82 10.030 2.495 3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.030 3.261 1.991 1.00 0.00 H new ATOM 0 HG LEU A 82 11.931 2.279 4.706 1.00 0.00 H new ATOM 0 HD11 LEU A 82 13.294 0.646 3.373 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.551 0.457 3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 82 12.576 1.296 1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 82 14.248 2.780 3.926 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.574 3.508 2.448 1.00 0.00 H new ATOM 0 HD23 LEU A 82 13.249 4.249 4.033 1.00 0.00 H new ATOM 1320 N ALA A 83 8.142 4.973 3.558 1.00 -0.73 N ATOM 1321 CA ALA A 83 6.889 5.513 3.040 1.00 0.36 C ATOM 1322 C ALA A 83 5.863 5.561 4.177 1.00 0.57 C ATOM 1323 O ALA A 83 6.030 4.881 5.188 1.00 -0.57 O ATOM 1324 CB ALA A 83 6.394 4.634 1.882 1.00 0.00 C ATOM 0 H ALA A 83 8.018 4.429 4.412 1.00 -0.73 H new ATOM 0 HA ALA A 83 7.037 6.524 2.660 1.00 0.36 H new ATOM 0 HB1 ALA A 83 5.458 5.036 1.494 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.141 4.623 1.088 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.231 3.618 2.241 1.00 0.00 H new ATOM 1330 N HIS A 84 4.803 6.354 4.027 1.00 -0.73 N ATOM 1331 CA HIS A 84 3.715 6.409 4.990 1.00 0.36 C ATOM 1332 C HIS A 84 2.390 6.685 4.273 1.00 0.57 C ATOM 1333 O HIS A 84 2.343 7.358 3.241 1.00 -0.57 O ATOM 1334 CB HIS A 84 4.026 7.423 6.115 1.00 0.17 C ATOM 1335 CG HIS A 84 4.122 8.893 5.750 1.00 0.18 C ATOM 1336 ND1 HIS A 84 4.114 9.457 4.505 1.00 -0.70 N flip ATOM 1337 CD2 HIS A 84 4.238 9.939 6.641 1.00 0.20 C flip ATOM 1338 CE1 HIS A 84 4.170 10.847 4.625 1.00 0.65 C flip ATOM 1339 NE2 HIS A 84 4.267 11.088 5.941 1.00 -0.70 N flip ATOM 0 H HIS A 84 4.679 6.977 3.229 1.00 -0.73 H new ATOM 0 HA HIS A 84 3.613 5.440 5.479 1.00 0.36 H new ATOM 0 HB2 HIS A 84 3.255 7.319 6.879 1.00 0.17 H new ATOM 0 HB3 HIS A 84 4.971 7.132 6.574 1.00 0.17 H new ATOM 0 HD1 HIS A 84 4.073 8.943 3.625 1.00 -0.70 H new ATOM 0 HD2 HIS A 84 4.296 9.851 7.716 1.00 0.20 H new ATOM 0 HE1 HIS A 84 4.141 11.574 3.827 1.00 0.65 H new ATOM 1348 N ALA A 85 1.294 6.197 4.851 1.00 -0.73 N ATOM 1349 CA ALA A 85 -0.035 6.335 4.288 1.00 0.36 C ATOM 1350 C ALA A 85 -1.031 6.588 5.412 1.00 0.57 C ATOM 1351 O ALA A 85 -0.701 6.519 6.606 1.00 -0.57 O ATOM 1352 CB ALA A 85 -0.377 5.076 3.469 1.00 0.00 C ATOM 0 H ALA A 85 1.311 5.689 5.735 1.00 -0.73 H new ATOM 0 HA ALA A 85 -0.081 7.187 3.609 1.00 0.36 H new ATOM 0 HB1 ALA A 85 -1.376 5.178 3.045 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.348 4.957 2.664 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.346 4.200 4.118 1.00 0.00 H new ATOM 1358 N PHE A 86 -2.265 6.886 5.008 1.00 -0.73 N ATOM 1359 CA PHE A 86 -3.328 7.243 5.926 1.00 0.36 C ATOM 1360 C PHE A 86 -4.491 6.284 5.680 1.00 0.57 C ATOM 1361 O PHE A 86 -4.788 5.940 4.536 1.00 -0.57 O ATOM 1362 CB PHE A 86 -3.696 8.726 5.739 1.00 0.14 C ATOM 1363 CG PHE A 86 -2.516 9.634 5.407 1.00 -0.14 C ATOM 1364 CD1 PHE A 86 -1.508 9.921 6.347 1.00 -0.15 C ATOM 1365 CD2 PHE A 86 -2.391 10.139 4.103 1.00 -0.15 C ATOM 1366 CE1 PHE A 86 -0.387 10.689 5.971 1.00 -0.15 C ATOM 1367 CE2 PHE A 86 -1.290 10.923 3.728 1.00 -0.15 C ATOM 1368 CZ PHE A 86 -0.279 11.189 4.663 1.00 -0.15 C ATOM 0 H PHE A 86 -2.550 6.885 4.029 1.00 -0.73 H new ATOM 0 HA PHE A 86 -3.024 7.142 6.968 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -4.435 8.806 4.942 1.00 0.14 H new ATOM 0 HB3 PHE A 86 -4.171 9.087 6.651 1.00 0.14 H new ATOM 0 HD1 PHE A 86 -1.594 9.552 7.358 1.00 -0.15 H new ATOM 0 HD2 PHE A 86 -3.157 9.920 3.374 1.00 -0.15 H new ATOM 0 HE1 PHE A 86 0.391 10.894 6.691 1.00 -0.15 H new ATOM 0 HE2 PHE A 86 -1.221 11.319 2.726 1.00 -0.15 H new ATOM 0 HZ PHE A 86 0.581 11.777 4.378 1.00 -0.15 H new ATOM 1378 N ALA A 87 -5.130 5.833 6.767 1.00 -0.73 N ATOM 1379 CA ALA A 87 -6.281 4.934 6.723 1.00 0.36 C ATOM 1380 C ALA A 87 -7.417 5.570 5.897 1.00 0.57 C ATOM 1381 O ALA A 87 -7.412 6.791 5.712 1.00 -0.57 O ATOM 1382 CB ALA A 87 -6.699 4.644 8.172 1.00 0.00 C ATOM 0 H ALA A 87 -4.854 6.089 7.715 1.00 -0.73 H new ATOM 0 HA ALA A 87 -6.033 3.993 6.232 1.00 0.36 H new ATOM 0 HB1 ALA A 87 -7.558 3.974 8.176 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.871 4.175 8.703 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.965 5.578 8.668 1.00 0.00 H new ATOM 1388 N PRO A 88 -8.384 4.792 5.369 1.00 -0.66 N ATOM 1389 CA PRO A 88 -9.429 5.346 4.522 1.00 0.36 C ATOM 1390 C PRO A 88 -10.342 6.271 5.326 1.00 0.57 C ATOM 1391 O PRO A 88 -10.406 6.192 6.555 1.00 -0.57 O ATOM 1392 CB PRO A 88 -10.166 4.151 3.932 1.00 0.00 C ATOM 1393 CG PRO A 88 -9.934 3.025 4.916 1.00 0.00 C ATOM 1394 CD PRO A 88 -8.584 3.360 5.549 1.00 0.30 C ATOM 0 HA PRO A 88 -9.026 5.968 3.722 1.00 0.36 H new ATOM 0 HB2 PRO A 88 -11.229 4.361 3.816 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.781 3.898 2.944 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.725 2.979 5.664 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.911 2.057 4.416 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.576 3.098 6.607 1.00 0.30 H new ATOM 0 HD3 PRO A 88 -7.782 2.794 5.074 1.00 0.30 H new ATOM 1402 N GLY A 89 -11.045 7.168 4.634 1.00 -0.73 N ATOM 1403 CA GLY A 89 -11.812 8.206 5.295 1.00 0.36 C ATOM 1404 C GLY A 89 -12.279 9.246 4.291 1.00 0.57 C ATOM 1405 O GLY A 89 -12.724 8.905 3.197 1.00 -0.57 O ATOM 0 H GLY A 89 -11.095 7.191 3.615 1.00 -0.73 H new ATOM 0 HA2 GLY A 89 -12.673 7.765 5.798 1.00 0.36 H new ATOM 0 HA3 GLY A 89 -11.203 8.682 6.064 1.00 0.36 H new ATOM 1409 N THR A 90 -12.198 10.518 4.680 1.00 -0.73 N ATOM 1410 CA THR A 90 -12.770 11.636 3.950 1.00 0.36 C ATOM 1411 C THR A 90 -11.747 12.783 3.988 1.00 0.57 C ATOM 1412 O THR A 90 -11.607 13.512 4.974 1.00 -0.57 O ATOM 1413 CB THR A 90 -14.146 11.987 4.528 1.00 0.28 C ATOM 1414 OG1 THR A 90 -14.090 12.151 5.937 1.00 -0.68 O ATOM 1415 CG2 THR A 90 -15.181 10.884 4.231 1.00 0.00 C ATOM 0 H THR A 90 -11.719 10.801 5.535 1.00 -0.73 H new ATOM 0 HA THR A 90 -12.957 11.398 2.903 1.00 0.36 H new ATOM 0 HB THR A 90 -14.445 12.921 4.052 1.00 0.28 H new ATOM 0 HG1 THR A 90 -13.313 12.700 6.172 1.00 -0.68 H new ATOM 0 HG21 THR A 90 -16.145 11.166 4.655 1.00 0.00 H new ATOM 0 HG22 THR A 90 -15.281 10.760 3.153 1.00 0.00 H new ATOM 0 HG23 THR A 90 -14.850 9.945 4.675 1.00 0.00 H new ATOM 1423 N GLY A 91 -10.947 12.899 2.920 1.00 -0.73 N ATOM 1424 CA GLY A 91 -9.955 13.950 2.725 1.00 0.36 C ATOM 1425 C GLY A 91 -8.605 13.303 2.460 1.00 0.57 C ATOM 1426 O GLY A 91 -8.467 12.555 1.485 1.00 -0.57 O ATOM 0 H GLY A 91 -10.978 12.238 2.144 1.00 -0.73 H new ATOM 0 HA2 GLY A 91 -10.239 14.587 1.888 1.00 0.36 H new ATOM 0 HA3 GLY A 91 -9.902 14.588 3.607 1.00 0.36 H new ATOM 1430 N LEU A 92 -7.654 13.584 3.356 1.00 -0.73 N ATOM 1431 CA LEU A 92 -6.310 13.006 3.422 1.00 0.36 C ATOM 1432 C LEU A 92 -6.335 11.477 3.582 1.00 0.57 C ATOM 1433 O LEU A 92 -5.404 10.795 3.166 1.00 -0.57 O ATOM 1434 CB LEU A 92 -5.595 13.656 4.625 1.00 0.00 C ATOM 1435 CG LEU A 92 -4.108 13.257 4.790 1.00 0.00 C ATOM 1436 CD1 LEU A 92 -3.178 14.422 4.446 1.00 0.00 C ATOM 1437 CD2 LEU A 92 -3.834 12.786 6.225 1.00 0.00 C ATOM 0 H LEU A 92 -7.813 14.263 4.100 1.00 -0.73 H new ATOM 0 HA LEU A 92 -5.786 13.205 2.487 1.00 0.36 H new ATOM 0 HB2 LEU A 92 -5.657 14.740 4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.131 13.389 5.536 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.908 12.439 4.097 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.141 14.109 4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.342 14.726 3.412 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.387 15.262 5.109 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.784 12.510 6.323 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.064 13.592 6.922 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.459 11.922 6.450 1.00 0.00 H new ATOM 1449 N GLY A 93 -7.391 10.916 4.184 1.00 -0.73 N ATOM 1450 CA GLY A 93 -7.528 9.471 4.312 1.00 0.36 C ATOM 1451 C GLY A 93 -7.325 8.768 2.966 1.00 0.57 C ATOM 1452 O GLY A 93 -7.679 9.314 1.913 1.00 -0.57 O ATOM 0 H GLY A 93 -8.162 11.448 4.589 1.00 -0.73 H new ATOM 0 HA2 GLY A 93 -6.800 9.098 5.032 1.00 0.36 H new ATOM 0 HA3 GLY A 93 -8.516 9.231 4.704 1.00 0.36 H new ATOM 1456 N GLY A 94 -6.725 7.575 3.013 1.00 -0.73 N ATOM 1457 CA GLY A 94 -6.400 6.749 1.860 1.00 0.36 C ATOM 1458 C GLY A 94 -5.083 7.107 1.191 1.00 0.57 C ATOM 1459 O GLY A 94 -4.483 6.236 0.554 1.00 -0.57 O ATOM 0 H GLY A 94 -6.443 7.146 3.895 1.00 -0.73 H new ATOM 0 HA2 GLY A 94 -6.364 5.705 2.173 1.00 0.36 H new ATOM 0 HA3 GLY A 94 -7.202 6.835 1.127 1.00 0.36 H new ATOM 1463 N ASP A 95 -4.657 8.368 1.298 1.00 -0.73 N ATOM 1464 CA ASP A 95 -3.546 8.880 0.510 1.00 0.36 C ATOM 1465 C ASP A 95 -2.240 8.286 1.046 1.00 0.57 C ATOM 1466 O ASP A 95 -2.157 7.854 2.203 1.00 -0.57 O ATOM 1467 CB ASP A 95 -3.582 10.424 0.518 1.00 0.06 C ATOM 1468 CG ASP A 95 -4.874 10.945 -0.129 1.00 0.66 C ATOM 1469 OD1 ASP A 95 -5.284 10.390 -1.135 1.00 -0.57 O ATOM 1470 OD2 ASP A 95 -5.558 11.936 0.436 1.00 -0.65 O ATOM 0 H ASP A 95 -5.072 9.053 1.929 1.00 -0.73 H new ATOM 0 HA ASP A 95 -3.623 8.577 -0.534 1.00 0.36 H new ATOM 0 HB2 ASP A 95 -3.511 10.788 1.543 1.00 0.06 H new ATOM 0 HB3 ASP A 95 -2.718 10.815 -0.020 1.00 0.06 H new ATOM 1476 N ALA A 96 -1.222 8.238 0.184 1.00 -0.73 N ATOM 1477 CA ALA A 96 0.041 7.581 0.465 1.00 0.36 C ATOM 1478 C ALA A 96 1.199 8.424 -0.064 1.00 0.57 C ATOM 1479 O ALA A 96 1.107 9.078 -1.110 1.00 -0.57 O ATOM 1480 CB ALA A 96 0.023 6.173 -0.144 1.00 0.00 C ATOM 0 H ALA A 96 -1.260 8.664 -0.742 1.00 -0.73 H new ATOM 0 HA ALA A 96 0.183 7.481 1.541 1.00 0.36 H new ATOM 0 HB1 ALA A 96 0.970 5.674 0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.794 5.598 0.293 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.120 6.245 -1.222 1.00 0.00 H new ATOM 1486 N HIS A 97 2.308 8.391 0.668 1.00 -0.73 N ATOM 1487 CA HIS A 97 3.464 9.240 0.444 1.00 0.36 C ATOM 1488 C HIS A 97 4.734 8.425 0.652 1.00 0.57 C ATOM 1489 O HIS A 97 4.782 7.546 1.507 1.00 -0.57 O ATOM 1490 CB HIS A 97 3.424 10.444 1.397 1.00 0.17 C ATOM 1491 CG HIS A 97 2.918 11.750 0.851 1.00 0.18 C ATOM 1492 ND1 HIS A 97 2.684 12.847 1.649 1.00 -0.70 N ATOM 1493 CD2 HIS A 97 2.688 12.102 -0.448 1.00 0.20 C ATOM 1494 CE1 HIS A 97 2.304 13.857 0.842 1.00 0.65 C ATOM 1495 NE2 HIS A 97 2.301 13.429 -0.433 1.00 -0.70 N ATOM 0 H HIS A 97 2.427 7.753 1.455 1.00 -0.73 H new ATOM 0 HA HIS A 97 3.451 9.617 -0.579 1.00 0.36 H new ATOM 0 HB2 HIS A 97 2.804 10.175 2.252 1.00 0.17 H new ATOM 0 HB3 HIS A 97 4.433 10.607 1.775 1.00 0.17 H new ATOM 0 HD2 HIS A 97 2.789 11.468 -1.317 1.00 0.20 H new ATOM 0 HE1 HIS A 97 2.043 14.853 1.168 1.00 0.65 H new ATOM 0 HE2 HIS A 97 2.055 13.988 -1.250 1.00 -0.70 H new ATOM 1504 N PHE A 98 5.775 8.746 -0.111 1.00 -0.73 N ATOM 1505 CA PHE A 98 6.961 7.920 -0.244 1.00 0.36 C ATOM 1506 C PHE A 98 8.197 8.827 -0.256 1.00 0.57 C ATOM 1507 O PHE A 98 8.142 9.942 -0.782 1.00 -0.57 O ATOM 1508 CB PHE A 98 6.851 7.156 -1.574 1.00 0.14 C ATOM 1509 CG PHE A 98 5.766 6.089 -1.687 1.00 -0.14 C ATOM 1510 CD1 PHE A 98 4.407 6.450 -1.809 1.00 -0.15 C ATOM 1511 CD2 PHE A 98 6.114 4.723 -1.733 1.00 -0.15 C ATOM 1512 CE1 PHE A 98 3.409 5.464 -1.882 1.00 -0.15 C ATOM 1513 CE2 PHE A 98 5.115 3.739 -1.861 1.00 -0.15 C ATOM 1514 CZ PHE A 98 3.761 4.108 -1.922 1.00 -0.15 C ATOM 0 H PHE A 98 5.814 9.603 -0.662 1.00 -0.73 H new ATOM 0 HA PHE A 98 7.048 7.216 0.584 1.00 0.36 H new ATOM 0 HB2 PHE A 98 6.690 7.885 -2.368 1.00 0.14 H new ATOM 0 HB3 PHE A 98 7.812 6.680 -1.769 1.00 0.14 H new ATOM 0 HD1 PHE A 98 4.132 7.494 -1.847 1.00 -0.15 H new ATOM 0 HD2 PHE A 98 7.152 4.430 -1.670 1.00 -0.15 H new ATOM 0 HE1 PHE A 98 2.368 5.752 -1.907 1.00 -0.15 H new ATOM 0 HE2 PHE A 98 5.391 2.696 -1.912 1.00 -0.15 H new ATOM 0 HZ PHE A 98 2.995 3.351 -1.999 1.00 -0.15 H new ATOM 1524 N ASP A 99 9.316 8.344 0.291 1.00 -0.73 N ATOM 1525 CA ASP A 99 10.594 9.045 0.228 1.00 0.36 C ATOM 1526 C ASP A 99 11.281 8.724 -1.105 1.00 0.57 C ATOM 1527 O ASP A 99 11.913 7.681 -1.239 1.00 -0.57 O ATOM 1528 CB ASP A 99 11.507 8.616 1.381 1.00 0.06 C ATOM 1529 CG ASP A 99 11.197 9.270 2.710 1.00 0.66 C ATOM 1530 OD1 ASP A 99 11.029 8.519 3.657 1.00 -0.57 O ATOM 1531 OD2 ASP A 99 11.252 10.599 2.729 1.00 -0.65 O ATOM 0 H ASP A 99 9.358 7.455 0.790 1.00 -0.73 H new ATOM 0 HA ASP A 99 10.408 10.116 0.309 1.00 0.36 H new ATOM 0 HB2 ASP A 99 11.437 7.535 1.499 1.00 0.06 H new ATOM 0 HB3 ASP A 99 12.539 8.842 1.112 1.00 0.06 H new ATOM 1537 N GLU A 100 11.196 9.614 -2.094 1.00 -0.73 N ATOM 1538 CA GLU A 100 11.936 9.550 -3.355 1.00 0.36 C ATOM 1539 C GLU A 100 13.454 9.544 -3.113 1.00 0.57 C ATOM 1540 O GLU A 100 14.219 9.079 -3.957 1.00 -0.57 O ATOM 1541 CB GLU A 100 11.576 10.793 -4.180 1.00 0.00 C ATOM 1542 CG GLU A 100 11.931 10.701 -5.663 1.00 0.06 C ATOM 1543 CD GLU A 100 12.227 12.075 -6.256 1.00 0.66 C ATOM 1544 OE1 GLU A 100 11.520 13.040 -6.017 1.00 -0.57 O ATOM 1545 OE2 GLU A 100 13.314 12.129 -7.021 1.00 -0.65 O ATOM 0 H GLU A 100 10.587 10.430 -2.037 1.00 -0.73 H new ATOM 0 HA GLU A 100 11.668 8.631 -3.876 1.00 0.36 H new ATOM 0 HB2 GLU A 100 10.505 10.976 -4.088 1.00 0.00 H new ATOM 0 HB3 GLU A 100 12.085 11.656 -3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.799 10.054 -5.790 1.00 0.06 H new ATOM 0 HG3 GLU A 100 11.107 10.239 -6.207 1.00 0.06 H new ATOM 1553 N ASP A 101 13.884 10.088 -1.968 1.00 -0.73 N ATOM 1554 CA ASP A 101 15.274 10.135 -1.520 1.00 0.36 C ATOM 1555 C ASP A 101 15.825 8.718 -1.349 1.00 0.57 C ATOM 1556 O ASP A 101 16.912 8.395 -1.829 1.00 -0.57 O ATOM 1557 CB ASP A 101 15.321 10.912 -0.196 1.00 0.06 C ATOM 1558 CG ASP A 101 16.693 11.514 0.100 1.00 0.66 C ATOM 1559 OD1 ASP A 101 17.680 10.800 0.027 1.00 -0.57 O ATOM 1560 OD2 ASP A 101 16.714 12.804 0.422 1.00 -0.65 O ATOM 0 H ASP A 101 13.244 10.524 -1.304 1.00 -0.73 H new ATOM 0 HA ASP A 101 15.896 10.637 -2.261 1.00 0.36 H new ATOM 0 HB2 ASP A 101 14.580 11.710 -0.224 1.00 0.06 H new ATOM 0 HB3 ASP A 101 15.040 10.245 0.619 1.00 0.06 H new ATOM 1566 N GLU A 102 15.019 7.839 -0.743 1.00 -0.73 N ATOM 1567 CA GLU A 102 15.339 6.428 -0.611 1.00 0.36 C ATOM 1568 C GLU A 102 15.279 5.839 -2.031 1.00 0.57 C ATOM 1569 O GLU A 102 14.361 6.131 -2.795 1.00 -0.57 O ATOM 1570 CB GLU A 102 14.338 5.737 0.342 1.00 0.00 C ATOM 1571 CG GLU A 102 14.168 6.406 1.723 1.00 0.06 C ATOM 1572 CD GLU A 102 15.140 6.021 2.839 1.00 0.66 C ATOM 1573 OE1 GLU A 102 14.738 6.251 3.967 1.00 -0.57 O ATOM 1574 OE2 GLU A 102 16.343 5.528 2.558 1.00 -0.65 O ATOM 0 H GLU A 102 14.122 8.096 -0.330 1.00 -0.73 H new ATOM 0 HA GLU A 102 16.328 6.274 -0.178 1.00 0.36 H new ATOM 0 HB2 GLU A 102 13.364 5.699 -0.147 1.00 0.00 H new ATOM 0 HB3 GLU A 102 14.659 4.706 0.494 1.00 0.00 H new ATOM 0 HG2 GLU A 102 14.235 7.485 1.581 1.00 0.06 H new ATOM 0 HG3 GLU A 102 13.158 6.193 2.074 1.00 0.06 H new ATOM 1582 N ARG A 103 16.263 5.031 -2.439 1.00 -0.73 N ATOM 1583 CA ARG A 103 16.220 4.354 -3.739 1.00 0.36 C ATOM 1584 C ARG A 103 15.017 3.411 -3.782 1.00 0.57 C ATOM 1585 O ARG A 103 14.666 2.819 -2.766 1.00 -0.57 O ATOM 1586 CB ARG A 103 17.544 3.612 -4.010 1.00 0.00 C ATOM 1587 CG ARG A 103 18.335 4.287 -5.140 1.00 0.00 C ATOM 1588 CD ARG A 103 19.709 3.634 -5.354 1.00 0.33 C ATOM 1589 NE ARG A 103 19.821 2.933 -6.646 1.00 -0.84 N ATOM 1590 CZ ARG A 103 20.068 3.483 -7.846 1.00 1.20 C ATOM 1591 NH1 ARG A 103 20.139 4.805 -7.996 1.00 -0.97 N ATOM 1592 NH2 ARG A 103 20.268 2.679 -8.891 1.00 -0.97 N ATOM 0 H ARG A 103 17.098 4.830 -1.889 1.00 -0.73 H new ATOM 0 HA ARG A 103 16.102 5.093 -4.532 1.00 0.36 H new ATOM 0 HB2 ARG A 103 18.146 3.593 -3.102 1.00 0.00 H new ATOM 0 HB3 ARG A 103 17.336 2.576 -4.276 1.00 0.00 H new ATOM 0 HG2 ARG A 103 17.761 4.234 -6.065 1.00 0.00 H new ATOM 0 HG3 ARG A 103 18.469 5.343 -4.907 1.00 0.00 H new ATOM 0 HD2 ARG A 103 20.482 4.400 -5.295 1.00 0.33 H new ATOM 0 HD3 ARG A 103 19.899 2.927 -4.546 1.00 0.33 H new ATOM 0 HE ARG A 103 19.698 1.921 -6.626 1.00 -0.84 H new ATOM 0 HH11 ARG A 103 20.005 5.417 -7.191 1.00 -0.97 H new ATOM 0 HH12 ARG A 103 20.328 5.205 -8.915 1.00 -0.97 H new ATOM 0 HH21 ARG A 103 20.232 1.667 -8.770 1.00 -0.97 H new ATOM 0 HH22 ARG A 103 20.457 3.076 -9.811 1.00 -0.97 H new ATOM 1606 N TRP A 104 14.447 3.199 -4.969 1.00 -0.73 N ATOM 1607 CA TRP A 104 13.341 2.267 -5.198 1.00 0.36 C ATOM 1608 C TRP A 104 13.706 1.370 -6.385 1.00 0.57 C ATOM 1609 O TRP A 104 14.685 1.645 -7.071 1.00 -0.57 O ATOM 1610 CB TRP A 104 12.043 3.049 -5.446 1.00 0.18 C ATOM 1611 CG TRP A 104 11.582 3.901 -4.301 1.00 -0.18 C ATOM 1612 CD1 TRP A 104 11.868 5.210 -4.136 1.00 -0.30 C ATOM 1613 CD2 TRP A 104 10.848 3.515 -3.095 1.00 0.00 C ATOM 1614 NE1 TRP A 104 11.347 5.662 -2.950 1.00 0.03 N ATOM 1615 CE2 TRP A 104 10.710 4.664 -2.263 1.00 -0.15 C ATOM 1616 CE3 TRP A 104 10.342 2.303 -2.582 1.00 -0.15 C ATOM 1617 CZ2 TRP A 104 10.095 4.629 -1.007 1.00 -0.15 C ATOM 1618 CZ3 TRP A 104 9.735 2.254 -1.311 1.00 -0.15 C ATOM 1619 CH2 TRP A 104 9.597 3.411 -0.527 1.00 -0.15 C ATOM 0 H TRP A 104 14.748 3.681 -5.816 1.00 -0.73 H new ATOM 0 HA TRP A 104 13.175 1.639 -4.323 1.00 0.36 H new ATOM 0 HB2 TRP A 104 12.183 3.686 -6.319 1.00 0.18 H new ATOM 0 HB3 TRP A 104 11.252 2.340 -5.692 1.00 0.18 H new ATOM 0 HD1 TRP A 104 12.426 5.814 -4.836 1.00 -0.30 H new ATOM 0 HE1 TRP A 104 11.425 6.624 -2.620 1.00 0.03 H new ATOM 0 HE3 TRP A 104 10.421 1.401 -3.170 1.00 -0.15 H new ATOM 0 HZ2 TRP A 104 10.005 5.528 -0.416 1.00 -0.15 H new ATOM 0 HZ3 TRP A 104 9.370 1.310 -0.933 1.00 -0.15 H new ATOM 0 HH2 TRP A 104 9.112 3.362 0.437 1.00 -0.15 H new ATOM 1630 N THR A 105 12.954 0.290 -6.625 1.00 -0.73 N ATOM 1631 CA THR A 105 13.141 -0.582 -7.787 1.00 0.36 C ATOM 1632 C THR A 105 11.865 -1.408 -7.979 1.00 0.57 C ATOM 1633 O THR A 105 11.279 -1.866 -6.996 1.00 -0.57 O ATOM 1634 CB THR A 105 14.406 -1.455 -7.580 1.00 0.28 C ATOM 1635 OG1 THR A 105 14.738 -2.236 -8.707 1.00 -0.68 O ATOM 1636 CG2 THR A 105 14.312 -2.440 -6.411 1.00 0.00 C ATOM 0 H THR A 105 12.193 -0.005 -6.013 1.00 -0.73 H new ATOM 0 HA THR A 105 13.306 -0.006 -8.698 1.00 0.36 H new ATOM 0 HB THR A 105 15.168 -0.702 -7.379 1.00 0.28 H new ATOM 0 HG1 THR A 105 15.623 -2.636 -8.578 1.00 -0.68 H new ATOM 0 HG21 THR A 105 15.239 -3.009 -6.339 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.151 -1.890 -5.484 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.479 -3.123 -6.577 1.00 0.00 H new ATOM 1644 N ASP A 106 11.438 -1.648 -9.223 1.00 -0.73 N ATOM 1645 CA ASP A 106 10.318 -2.543 -9.555 1.00 0.36 C ATOM 1646 C ASP A 106 10.799 -4.001 -9.656 1.00 0.57 C ATOM 1647 O ASP A 106 10.340 -4.781 -10.492 1.00 -0.57 O ATOM 1648 CB ASP A 106 9.499 -2.042 -10.765 1.00 0.06 C ATOM 1649 CG ASP A 106 10.301 -1.808 -12.052 1.00 0.66 C ATOM 1650 OD1 ASP A 106 10.178 -2.611 -12.962 1.00 -0.57 O ATOM 1651 OD2 ASP A 106 11.076 -0.729 -12.122 1.00 -0.65 O ATOM 0 H ASP A 106 11.867 -1.220 -10.044 1.00 -0.73 H new ATOM 0 HA ASP A 106 9.602 -2.523 -8.734 1.00 0.36 H new ATOM 0 HB2 ASP A 106 8.712 -2.766 -10.974 1.00 0.06 H new ATOM 0 HB3 ASP A 106 9.008 -1.109 -10.488 1.00 0.06 H new ATOM 1657 N GLY A 107 11.716 -4.381 -8.763 1.00 -0.73 N ATOM 1658 CA GLY A 107 12.267 -5.722 -8.653 1.00 0.36 C ATOM 1659 C GLY A 107 13.403 -5.931 -9.651 1.00 0.57 C ATOM 1660 O GLY A 107 13.291 -6.799 -10.514 1.00 -0.57 O ATOM 0 H GLY A 107 12.105 -3.736 -8.075 1.00 -0.73 H new ATOM 0 HA2 GLY A 107 12.634 -5.886 -7.640 1.00 0.36 H new ATOM 0 HA3 GLY A 107 11.482 -6.457 -8.831 1.00 0.36 H new ATOM 1664 N SER A 108 14.475 -5.135 -9.558 1.00 -0.73 N ATOM 1665 CA SER A 108 15.585 -5.149 -10.502 1.00 0.36 C ATOM 1666 C SER A 108 16.920 -5.276 -9.751 1.00 0.57 C ATOM 1667 O SER A 108 17.531 -4.277 -9.351 1.00 -0.57 O ATOM 1668 CB SER A 108 15.510 -3.936 -11.445 1.00 0.28 C ATOM 1669 OG SER A 108 15.854 -4.366 -12.751 1.00 -0.68 O ATOM 0 H SER A 108 14.592 -4.453 -8.809 1.00 -0.73 H new ATOM 0 HA SER A 108 15.514 -6.027 -11.144 1.00 0.36 H new ATOM 0 HB2 SER A 108 14.507 -3.510 -11.437 1.00 0.28 H new ATOM 0 HB3 SER A 108 16.191 -3.153 -11.111 1.00 0.28 H new ATOM 0 HG SER A 108 15.810 -3.606 -13.368 1.00 -0.68 H new ATOM 1675 N SER A 109 17.362 -6.531 -9.565 1.00 -0.73 N ATOM 1676 CA SER A 109 18.572 -6.962 -8.863 1.00 0.36 C ATOM 1677 C SER A 109 18.564 -6.643 -7.368 1.00 0.57 C ATOM 1678 O SER A 109 18.413 -7.560 -6.567 1.00 -0.57 O ATOM 1679 CB SER A 109 19.824 -6.441 -9.566 1.00 0.28 C ATOM 1680 OG SER A 109 20.325 -7.395 -10.492 1.00 -0.68 O ATOM 0 H SER A 109 16.840 -7.327 -9.931 1.00 -0.73 H new ATOM 0 HA SER A 109 18.588 -8.051 -8.912 1.00 0.36 H new ATOM 0 HB2 SER A 109 19.593 -5.511 -10.086 1.00 0.28 H new ATOM 0 HB3 SER A 109 20.591 -6.210 -8.826 1.00 0.28 H new ATOM 0 HG SER A 109 21.125 -7.037 -10.930 1.00 -0.68 H new ATOM 1686 N LEU A 110 18.695 -5.374 -6.970 1.00 -0.73 N ATOM 1687 CA LEU A 110 18.771 -4.904 -5.589 1.00 0.36 C ATOM 1688 C LEU A 110 18.106 -3.522 -5.521 1.00 0.57 C ATOM 1689 O LEU A 110 17.844 -2.882 -6.542 1.00 -0.57 O ATOM 1690 CB LEU A 110 20.246 -4.809 -5.134 1.00 0.00 C ATOM 1691 CG LEU A 110 20.895 -6.160 -4.741 1.00 0.00 C ATOM 1692 CD1 LEU A 110 22.156 -6.428 -5.574 1.00 0.00 C ATOM 1693 CD2 LEU A 110 21.257 -6.184 -3.248 1.00 0.00 C ATOM 0 H LEU A 110 18.754 -4.608 -7.641 1.00 -0.73 H new ATOM 0 HA LEU A 110 18.260 -5.602 -4.927 1.00 0.36 H new ATOM 0 HB2 LEU A 110 20.831 -4.362 -5.938 1.00 0.00 H new ATOM 0 HB3 LEU A 110 20.305 -4.132 -4.282 1.00 0.00 H new ATOM 0 HG LEU A 110 20.163 -6.942 -4.942 1.00 0.00 H new ATOM 0 HD11 LEU A 110 22.592 -7.382 -5.278 1.00 0.00 H new ATOM 0 HD12 LEU A 110 21.893 -6.461 -6.631 1.00 0.00 H new ATOM 0 HD13 LEU A 110 22.880 -5.631 -5.405 1.00 0.00 H new ATOM 0 HD21 LEU A 110 21.711 -7.143 -2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 110 21.963 -5.382 -3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 110 20.355 -6.044 -2.653 1.00 0.00 H new ATOM 1705 N GLY A 111 17.835 -3.063 -4.297 1.00 -0.73 N ATOM 1706 CA GLY A 111 17.134 -1.820 -4.032 1.00 0.36 C ATOM 1707 C GLY A 111 15.983 -2.092 -3.074 1.00 0.57 C ATOM 1708 O GLY A 111 16.003 -3.078 -2.333 1.00 -0.57 O ATOM 0 H GLY A 111 18.106 -3.561 -3.449 1.00 -0.73 H new ATOM 0 HA2 GLY A 111 17.817 -1.088 -3.601 1.00 0.36 H new ATOM 0 HA3 GLY A 111 16.757 -1.395 -4.962 1.00 0.36 H new ATOM 1712 N ILE A 112 14.979 -1.216 -3.099 1.00 -0.73 N ATOM 1713 CA ILE A 112 13.777 -1.322 -2.288 1.00 0.36 C ATOM 1714 C ILE A 112 12.622 -1.655 -3.230 1.00 0.57 C ATOM 1715 O ILE A 112 12.245 -0.823 -4.058 1.00 -0.57 O ATOM 1716 CB ILE A 112 13.545 0.002 -1.529 1.00 0.00 C ATOM 1717 CG1 ILE A 112 14.762 0.463 -0.691 1.00 0.00 C ATOM 1718 CG2 ILE A 112 12.282 -0.089 -0.666 1.00 0.00 C ATOM 1719 CD1 ILE A 112 15.268 -0.543 0.348 1.00 0.00 C ATOM 0 H ILE A 112 14.984 -0.393 -3.701 1.00 -0.73 H new ATOM 0 HA ILE A 112 13.865 -2.106 -1.536 1.00 0.36 H new ATOM 0 HB ILE A 112 13.406 0.770 -2.289 1.00 0.00 H new ATOM 0 HG12 ILE A 112 15.581 0.699 -1.371 1.00 0.00 H new ATOM 0 HG13 ILE A 112 14.498 1.387 -0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 112 12.134 0.853 -0.138 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.420 -0.288 -1.303 1.00 0.00 H new ATOM 0 HG23 ILE A 112 12.393 -0.897 0.057 1.00 0.00 H new ATOM 0 HD11 ILE A 112 16.121 -0.120 0.878 1.00 0.00 H new ATOM 0 HD12 ILE A 112 14.472 -0.763 1.059 1.00 0.00 H new ATOM 0 HD13 ILE A 112 15.571 -1.462 -0.153 1.00 0.00 H new ATOM 1731 N ASN A 113 12.079 -2.875 -3.101 1.00 -0.73 N ATOM 1732 CA ASN A 113 10.975 -3.351 -3.923 1.00 0.36 C ATOM 1733 C ASN A 113 9.755 -2.430 -3.813 1.00 0.57 C ATOM 1734 O ASN A 113 8.994 -2.492 -2.845 1.00 -0.57 O ATOM 1735 CB ASN A 113 10.606 -4.805 -3.585 1.00 0.06 C ATOM 1736 CG ASN A 113 9.495 -5.295 -4.514 1.00 0.57 C ATOM 1737 OD1 ASN A 113 9.220 -4.702 -5.550 1.00 -0.57 O ATOM 1738 ND2 ASN A 113 8.805 -6.364 -4.166 1.00 -0.80 N ATOM 0 H ASN A 113 12.402 -3.558 -2.416 1.00 -0.73 H new ATOM 0 HA ASN A 113 11.312 -3.329 -4.960 1.00 0.36 H new ATOM 0 HB2 ASN A 113 11.483 -5.444 -3.686 1.00 0.06 H new ATOM 0 HB3 ASN A 113 10.280 -4.874 -2.547 1.00 0.06 H new ATOM 0 HD21 ASN A 113 8.044 -6.695 -4.759 1.00 -0.80 H new ATOM 0 HD22 ASN A 113 9.032 -6.859 -3.304 1.00 -0.80 H new ATOM 1745 N PHE A 114 9.565 -1.590 -4.832 1.00 -0.73 N ATOM 1746 CA PHE A 114 8.436 -0.686 -4.950 1.00 0.36 C ATOM 1747 C PHE A 114 7.139 -1.489 -4.936 1.00 0.57 C ATOM 1748 O PHE A 114 6.166 -1.048 -4.338 1.00 -0.57 O ATOM 1749 CB PHE A 114 8.571 0.126 -6.253 1.00 0.14 C ATOM 1750 CG PHE A 114 7.637 1.320 -6.375 1.00 -0.14 C ATOM 1751 CD1 PHE A 114 6.236 1.157 -6.388 1.00 -0.15 C ATOM 1752 CD2 PHE A 114 8.164 2.616 -6.511 1.00 -0.15 C ATOM 1753 CE1 PHE A 114 5.380 2.258 -6.526 1.00 -0.15 C ATOM 1754 CE2 PHE A 114 7.302 3.711 -6.680 1.00 -0.15 C ATOM 1755 CZ PHE A 114 5.917 3.530 -6.707 1.00 -0.15 C ATOM 0 H PHE A 114 10.214 -1.523 -5.616 1.00 -0.73 H new ATOM 0 HA PHE A 114 8.419 0.007 -4.109 1.00 0.36 H new ATOM 0 HB2 PHE A 114 9.599 0.480 -6.336 1.00 0.14 H new ATOM 0 HB3 PHE A 114 8.394 -0.541 -7.097 1.00 0.14 H new ATOM 0 HD1 PHE A 114 5.816 0.167 -6.290 1.00 -0.15 H new ATOM 0 HD2 PHE A 114 9.233 2.769 -6.485 1.00 -0.15 H new ATOM 0 HE1 PHE A 114 4.309 2.121 -6.492 1.00 -0.15 H new ATOM 0 HE2 PHE A 114 7.714 4.703 -6.790 1.00 -0.15 H new ATOM 0 HZ PHE A 114 5.264 4.375 -6.868 1.00 -0.15 H new ATOM 1765 N LEU A 115 7.102 -2.663 -5.573 1.00 -0.73 N ATOM 1766 CA LEU A 115 5.888 -3.460 -5.694 1.00 0.36 C ATOM 1767 C LEU A 115 5.377 -3.882 -4.310 1.00 0.57 C ATOM 1768 O LEU A 115 4.186 -3.752 -4.026 1.00 -0.57 O ATOM 1769 CB LEU A 115 6.174 -4.669 -6.606 1.00 0.00 C ATOM 1770 CG LEU A 115 5.310 -4.720 -7.868 1.00 0.00 C ATOM 1771 CD1 LEU A 115 5.843 -5.825 -8.785 1.00 0.00 C ATOM 1772 CD2 LEU A 115 3.814 -4.928 -7.599 1.00 0.00 C ATOM 0 H LEU A 115 7.917 -3.084 -6.019 1.00 -0.73 H new ATOM 0 HA LEU A 115 5.095 -2.867 -6.149 1.00 0.36 H new ATOM 0 HB2 LEU A 115 7.224 -4.649 -6.898 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.019 -5.585 -6.036 1.00 0.00 H new ATOM 0 HG LEU A 115 5.384 -3.742 -8.344 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.236 -5.872 -9.689 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.877 -5.608 -9.053 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.796 -6.782 -8.266 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.274 -4.952 -8.546 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.667 -5.871 -7.073 1.00 0.00 H new ATOM 0 HD23 LEU A 115 3.437 -4.109 -6.987 1.00 0.00 H new ATOM 1784 N TYR A 116 6.295 -4.323 -3.440 1.00 -0.73 N ATOM 1785 CA TYR A 116 6.011 -4.590 -2.032 1.00 0.36 C ATOM 1786 C TYR A 116 5.552 -3.303 -1.351 1.00 0.57 C ATOM 1787 O TYR A 116 4.523 -3.313 -0.680 1.00 -0.57 O ATOM 1788 CB TYR A 116 7.265 -5.176 -1.357 1.00 0.14 C ATOM 1789 CG TYR A 116 7.192 -5.453 0.140 1.00 -0.14 C ATOM 1790 CD1 TYR A 116 7.268 -4.404 1.077 1.00 -0.15 C ATOM 1791 CD2 TYR A 116 7.138 -6.779 0.600 1.00 -0.15 C ATOM 1792 CE1 TYR A 116 7.245 -4.673 2.459 1.00 -0.15 C ATOM 1793 CE2 TYR A 116 7.120 -7.064 1.980 1.00 -0.15 C ATOM 1794 CZ TYR A 116 7.151 -6.008 2.921 1.00 0.08 C ATOM 1795 OH TYR A 116 7.089 -6.259 4.263 1.00 -0.53 O ATOM 0 H TYR A 116 7.264 -4.505 -3.701 1.00 -0.73 H new ATOM 0 HA TYR A 116 5.208 -5.322 -1.942 1.00 0.36 H new ATOM 0 HB2 TYR A 116 7.513 -6.110 -1.861 1.00 0.14 H new ATOM 0 HB3 TYR A 116 8.094 -4.490 -1.532 1.00 0.14 H new ATOM 0 HD1 TYR A 116 7.345 -3.383 0.732 1.00 -0.15 H new ATOM 0 HD2 TYR A 116 7.110 -7.590 -0.113 1.00 -0.15 H new ATOM 0 HE1 TYR A 116 7.299 -3.860 3.168 1.00 -0.15 H new ATOM 0 HE2 TYR A 116 7.083 -8.089 2.319 1.00 -0.15 H new ATOM 0 HH TYR A 116 6.572 -7.077 4.419 1.00 -0.53 H new ATOM 1805 N ALA A 117 6.282 -2.197 -1.546 1.00 -0.73 N ATOM 1806 CA ALA A 117 5.965 -0.926 -0.908 1.00 0.36 C ATOM 1807 C ALA A 117 4.547 -0.469 -1.254 1.00 0.57 C ATOM 1808 O ALA A 117 3.770 -0.131 -0.366 1.00 -0.57 O ATOM 1809 CB ALA A 117 6.989 0.135 -1.328 1.00 0.00 C ATOM 0 H ALA A 117 7.104 -2.164 -2.149 1.00 -0.73 H new ATOM 0 HA ALA A 117 6.013 -1.062 0.172 1.00 0.36 H new ATOM 0 HB1 ALA A 117 6.748 1.084 -0.848 1.00 0.00 H new ATOM 0 HB2 ALA A 117 7.987 -0.182 -1.024 1.00 0.00 H new ATOM 0 HB3 ALA A 117 6.962 0.259 -2.411 1.00 0.00 H new ATOM 1815 N ALA A 118 4.201 -0.483 -2.543 1.00 -0.73 N ATOM 1816 CA ALA A 118 2.896 -0.086 -3.026 1.00 0.36 C ATOM 1817 C ALA A 118 1.831 -1.010 -2.444 1.00 0.57 C ATOM 1818 O ALA A 118 0.908 -0.509 -1.814 1.00 -0.57 O ATOM 1819 CB ALA A 118 2.884 -0.100 -4.555 1.00 0.00 C ATOM 0 H ALA A 118 4.837 -0.777 -3.285 1.00 -0.73 H new ATOM 0 HA ALA A 118 2.672 0.930 -2.701 1.00 0.36 H new ATOM 0 HB1 ALA A 118 1.899 0.200 -4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.634 0.595 -4.931 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.110 -1.105 -4.911 1.00 0.00 H new ATOM 1825 N THR A 119 1.973 -2.336 -2.572 1.00 -0.73 N ATOM 1826 CA THR A 119 1.004 -3.290 -2.020 1.00 0.36 C ATOM 1827 C THR A 119 0.845 -3.119 -0.501 1.00 0.57 C ATOM 1828 O THR A 119 -0.279 -3.211 -0.002 1.00 -0.57 O ATOM 1829 CB THR A 119 1.428 -4.711 -2.402 1.00 0.28 C ATOM 1830 OG1 THR A 119 1.398 -4.803 -3.820 1.00 -0.68 O ATOM 1831 CG2 THR A 119 0.507 -5.818 -1.890 1.00 0.00 C ATOM 0 H THR A 119 2.756 -2.774 -3.057 1.00 -0.73 H new ATOM 0 HA THR A 119 0.021 -3.094 -2.448 1.00 0.36 H new ATOM 0 HB THR A 119 2.409 -4.862 -1.952 1.00 0.28 H new ATOM 0 HG1 THR A 119 2.254 -4.496 -4.186 1.00 -0.68 H new ATOM 0 HG21 THR A 119 0.889 -6.787 -2.211 1.00 0.00 H new ATOM 0 HG22 THR A 119 0.469 -5.785 -0.801 1.00 0.00 H new ATOM 0 HG23 THR A 119 -0.496 -5.672 -2.292 1.00 0.00 H new ATOM 1839 N HIS A 120 1.938 -2.833 0.221 1.00 -0.73 N ATOM 1840 CA HIS A 120 1.936 -2.549 1.652 1.00 0.36 C ATOM 1841 C HIS A 120 1.093 -1.301 1.928 1.00 0.57 C ATOM 1842 O HIS A 120 0.148 -1.360 2.714 1.00 -0.57 O ATOM 1843 CB HIS A 120 3.401 -2.426 2.139 1.00 0.17 C ATOM 1844 CG HIS A 120 3.616 -2.186 3.616 1.00 0.18 C ATOM 1845 ND1 HIS A 120 4.576 -2.797 4.406 1.00 -0.70 N ATOM 1846 CD2 HIS A 120 2.940 -1.306 4.413 1.00 0.20 C ATOM 1847 CE1 HIS A 120 4.437 -2.326 5.665 1.00 0.65 C ATOM 1848 NE2 HIS A 120 3.429 -1.432 5.690 1.00 -0.70 N ATOM 0 H HIS A 120 2.870 -2.793 -0.191 1.00 -0.73 H new ATOM 0 HA HIS A 120 1.476 -3.361 2.216 1.00 0.36 H new ATOM 0 HB2 HIS A 120 3.927 -3.340 1.864 1.00 0.17 H new ATOM 0 HB3 HIS A 120 3.873 -1.610 1.591 1.00 0.17 H new ATOM 0 HD1 HIS A 120 5.265 -3.481 4.093 1.00 -0.70 H new ATOM 0 HD2 HIS A 120 2.159 -0.631 4.095 1.00 0.20 H new ATOM 0 HE1 HIS A 120 5.037 -2.619 6.514 1.00 0.65 H new ATOM 1857 N GLU A 121 1.433 -0.173 1.301 1.00 -0.73 N ATOM 1858 CA GLU A 121 0.782 1.112 1.550 1.00 0.36 C ATOM 1859 C GLU A 121 -0.695 1.051 1.150 1.00 0.57 C ATOM 1860 O GLU A 121 -1.570 1.447 1.921 1.00 -0.57 O ATOM 1861 CB GLU A 121 1.525 2.205 0.764 1.00 0.00 C ATOM 1862 CG GLU A 121 2.948 2.442 1.285 1.00 0.06 C ATOM 1863 CD GLU A 121 2.942 3.150 2.629 1.00 0.66 C ATOM 1864 OE1 GLU A 121 2.789 2.458 3.622 1.00 -0.57 O ATOM 1865 OE2 GLU A 121 3.096 4.471 2.623 1.00 -0.65 O ATOM 0 H GLU A 121 2.174 -0.127 0.601 1.00 -0.73 H new ATOM 0 HA GLU A 121 0.823 1.347 2.614 1.00 0.36 H new ATOM 0 HB2 GLU A 121 1.569 1.924 -0.288 1.00 0.00 H new ATOM 0 HB3 GLU A 121 0.961 3.136 0.822 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.465 1.487 1.379 1.00 0.06 H new ATOM 0 HG3 GLU A 121 3.506 3.037 0.562 1.00 0.06 H new ATOM 1873 N LEU A 122 -0.969 0.482 -0.028 1.00 -0.73 N ATOM 1874 CA LEU A 122 -2.309 0.319 -0.577 1.00 0.36 C ATOM 1875 C LEU A 122 -3.188 -0.555 0.318 1.00 0.57 C ATOM 1876 O LEU A 122 -4.400 -0.344 0.351 1.00 -0.57 O ATOM 1877 CB LEU A 122 -2.229 -0.285 -1.984 1.00 0.00 C ATOM 1878 CG LEU A 122 -1.745 0.712 -3.058 1.00 0.00 C ATOM 1879 CD1 LEU A 122 -1.399 -0.055 -4.341 1.00 0.00 C ATOM 1880 CD2 LEU A 122 -2.797 1.800 -3.322 1.00 0.00 C ATOM 0 H LEU A 122 -0.241 0.113 -0.639 1.00 -0.73 H new ATOM 0 HA LEU A 122 -2.768 1.306 -0.628 1.00 0.36 H new ATOM 0 HB2 LEU A 122 -1.555 -1.141 -1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.213 -0.660 -2.266 1.00 0.00 H new ATOM 0 HG LEU A 122 -0.850 1.219 -2.697 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -1.057 0.646 -5.103 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -0.610 -0.777 -4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -2.284 -0.579 -4.702 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -2.427 2.487 -4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.720 1.337 -3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.991 2.349 -2.401 1.00 0.00 H new ATOM 1892 N GLY A 123 -2.604 -1.490 1.072 1.00 -0.73 N ATOM 1893 CA GLY A 123 -3.341 -2.245 2.069 1.00 0.36 C ATOM 1894 C GLY A 123 -3.939 -1.340 3.140 1.00 0.57 C ATOM 1895 O GLY A 123 -5.126 -1.447 3.452 1.00 -0.57 O ATOM 0 H GLY A 123 -1.617 -1.738 1.004 1.00 -0.73 H new ATOM 0 HA2 GLY A 123 -4.138 -2.807 1.583 1.00 0.36 H new ATOM 0 HA3 GLY A 123 -2.678 -2.972 2.537 1.00 0.36 H new ATOM 1899 N HIS A 124 -3.145 -0.393 3.653 1.00 -0.73 N ATOM 1900 CA HIS A 124 -3.646 0.590 4.605 1.00 0.36 C ATOM 1901 C HIS A 124 -4.624 1.551 3.933 1.00 0.57 C ATOM 1902 O HIS A 124 -5.644 1.864 4.542 1.00 -0.57 O ATOM 1903 CB HIS A 124 -2.497 1.339 5.285 1.00 0.17 C ATOM 1904 CG HIS A 124 -1.519 0.413 5.966 1.00 0.18 C ATOM 1905 ND1 HIS A 124 -1.805 -0.513 6.942 1.00 -0.70 N ATOM 1906 CD2 HIS A 124 -0.188 0.291 5.678 1.00 0.20 C ATOM 1907 CE1 HIS A 124 -0.675 -1.186 7.216 1.00 0.65 C ATOM 1908 NE2 HIS A 124 0.347 -0.722 6.481 1.00 -0.70 N ATOM 0 H HIS A 124 -2.157 -0.291 3.422 1.00 -0.73 H new ATOM 0 HA HIS A 124 -4.191 0.057 5.384 1.00 0.36 H new ATOM 0 HB2 HIS A 124 -1.968 1.936 4.542 1.00 0.17 H new ATOM 0 HB3 HIS A 124 -2.906 2.033 6.020 1.00 0.17 H new ATOM 0 HD2 HIS A 124 0.358 0.877 4.954 1.00 0.20 H new ATOM 0 HE1 HIS A 124 -0.599 -1.992 7.931 1.00 0.65 H new ATOM 0 HE2 HIS A 124 1.315 -1.042 6.503 1.00 -0.70 H new ATOM 1917 N SER A 125 -4.388 1.945 2.675 1.00 -0.73 N ATOM 1918 CA SER A 125 -5.357 2.716 1.902 1.00 0.36 C ATOM 1919 C SER A 125 -6.690 1.972 1.727 1.00 0.57 C ATOM 1920 O SER A 125 -7.729 2.622 1.651 1.00 -0.57 O ATOM 1921 CB SER A 125 -4.789 3.071 0.527 1.00 0.28 C ATOM 1922 OG SER A 125 -3.611 3.842 0.633 1.00 -0.68 O ATOM 0 H SER A 125 -3.525 1.738 2.172 1.00 -0.73 H new ATOM 0 HA SER A 125 -5.553 3.628 2.467 1.00 0.36 H new ATOM 0 HB2 SER A 125 -4.577 2.156 -0.027 1.00 0.28 H new ATOM 0 HB3 SER A 125 -5.536 3.623 -0.044 1.00 0.28 H new ATOM 0 HG SER A 125 -3.826 4.789 0.499 1.00 -0.68 H new ATOM 1928 N LEU A 126 -6.695 0.633 1.658 1.00 -0.73 N ATOM 1929 CA LEU A 126 -7.931 -0.148 1.594 1.00 0.36 C ATOM 1930 C LEU A 126 -8.660 -0.170 2.940 1.00 0.57 C ATOM 1931 O LEU A 126 -9.891 -0.204 2.987 1.00 -0.57 O ATOM 1932 CB LEU A 126 -7.647 -1.599 1.143 1.00 0.00 C ATOM 1933 CG LEU A 126 -8.315 -2.013 -0.179 1.00 0.00 C ATOM 1934 CD1 LEU A 126 -9.817 -1.704 -0.234 1.00 0.00 C ATOM 1935 CD2 LEU A 126 -7.615 -1.377 -1.384 1.00 0.00 C ATOM 0 H LEU A 126 -5.846 0.067 1.645 1.00 -0.73 H new ATOM 0 HA LEU A 126 -8.573 0.340 0.860 1.00 0.36 H new ATOM 0 HB2 LEU A 126 -6.569 -1.728 1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.978 -2.279 1.928 1.00 0.00 H new ATOM 0 HG LEU A 126 -8.208 -3.097 -0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -10.219 -2.024 -1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -10.328 -2.237 0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -9.973 -0.632 -0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -8.113 -1.691 -2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -7.660 -0.291 -1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.573 -1.696 -1.409 1.00 0.00 H new ATOM 1947 N GLY A 127 -7.892 -0.176 4.033 1.00 -0.73 N ATOM 1948 CA GLY A 127 -8.418 -0.283 5.379 1.00 0.36 C ATOM 1949 C GLY A 127 -7.303 -0.404 6.403 1.00 0.57 C ATOM 1950 O GLY A 127 -7.252 0.399 7.331 1.00 -0.57 O ATOM 0 H GLY A 127 -6.875 -0.105 3.998 1.00 -0.73 H new ATOM 0 HA2 GLY A 127 -9.027 0.593 5.604 1.00 0.36 H new ATOM 0 HA3 GLY A 127 -9.072 -1.152 5.447 1.00 0.36 H new ATOM 1954 N MET A 128 -6.440 -1.415 6.240 1.00 -0.73 N ATOM 1955 CA MET A 128 -5.420 -1.860 7.190 1.00 0.36 C ATOM 1956 C MET A 128 -4.822 -3.178 6.687 1.00 0.57 C ATOM 1957 O MET A 128 -5.262 -3.720 5.675 1.00 -0.57 O ATOM 1958 CB MET A 128 -5.971 -1.986 8.630 1.00 0.00 C ATOM 1959 CG MET A 128 -7.262 -2.803 8.771 1.00 0.23 C ATOM 1960 SD MET A 128 -7.050 -4.598 8.924 1.00 -0.46 S ATOM 1961 CE MET A 128 -7.844 -5.126 7.385 1.00 0.23 C ATOM 0 H MET A 128 -6.438 -1.976 5.388 1.00 -0.73 H new ATOM 0 HA MET A 128 -4.635 -1.105 7.245 1.00 0.36 H new ATOM 0 HB2 MET A 128 -5.203 -2.440 9.256 1.00 0.00 H new ATOM 0 HB3 MET A 128 -6.150 -0.985 9.021 1.00 0.00 H new ATOM 0 HG2 MET A 128 -7.802 -2.444 9.647 1.00 0.23 H new ATOM 0 HG3 MET A 128 -7.892 -2.603 7.904 1.00 0.23 H new ATOM 0 HE1 MET A 128 -8.158 -6.166 7.476 1.00 0.23 H new ATOM 0 HE2 MET A 128 -8.714 -4.499 7.191 1.00 0.23 H new ATOM 0 HE3 MET A 128 -7.138 -5.031 6.560 1.00 0.23 H new ATOM 1971 N GLY A 129 -3.840 -3.701 7.426 1.00 -0.73 N ATOM 1972 CA GLY A 129 -3.268 -5.023 7.201 1.00 0.36 C ATOM 1973 C GLY A 129 -1.966 -5.246 7.975 1.00 0.57 C ATOM 1974 O GLY A 129 -1.153 -6.056 7.549 1.00 -0.57 O ATOM 0 H GLY A 129 -3.416 -3.206 8.210 1.00 -0.73 H new ATOM 0 HA2 GLY A 129 -3.994 -5.782 7.493 1.00 0.36 H new ATOM 0 HA3 GLY A 129 -3.079 -5.156 6.136 1.00 0.36 H new ATOM 1978 N HIS A 130 -1.725 -4.502 9.066 1.00 -0.73 N ATOM 1979 CA HIS A 130 -0.461 -4.558 9.793 1.00 0.36 C ATOM 1980 C HIS A 130 -0.336 -5.846 10.615 1.00 0.57 C ATOM 1981 O HIS A 130 -1.338 -6.492 10.933 1.00 -0.57 O ATOM 1982 CB HIS A 130 -0.308 -3.306 10.688 1.00 0.17 C ATOM 1983 CG HIS A 130 0.721 -2.290 10.241 1.00 0.18 C ATOM 1984 ND1 HIS A 130 0.819 -0.992 10.692 1.00 -0.70 N ATOM 1985 CD2 HIS A 130 1.761 -2.477 9.366 1.00 0.20 C ATOM 1986 CE1 HIS A 130 1.885 -0.422 10.102 1.00 0.65 C ATOM 1987 NE2 HIS A 130 2.487 -1.292 9.279 1.00 -0.70 N ATOM 0 H HIS A 130 -2.402 -3.850 9.462 1.00 -0.73 H new ATOM 0 HA HIS A 130 0.349 -4.567 9.064 1.00 0.36 H new ATOM 0 HB2 HIS A 130 -1.276 -2.809 10.751 1.00 0.17 H new ATOM 0 HB3 HIS A 130 -0.052 -3.634 11.695 1.00 0.17 H new ATOM 0 HD2 HIS A 130 1.980 -3.391 8.834 1.00 0.20 H new ATOM 0 HE1 HIS A 130 2.210 0.594 10.268 1.00 0.65 H new ATOM 0 HE2 HIS A 130 3.312 -1.120 8.704 1.00 -0.70 H new ATOM 1996 N SER A 131 0.908 -6.179 10.990 1.00 -0.73 N ATOM 1997 CA SER A 131 1.284 -7.315 11.819 1.00 0.36 C ATOM 1998 C SER A 131 2.751 -7.144 12.259 1.00 0.57 C ATOM 1999 O SER A 131 3.340 -6.085 12.021 1.00 -0.57 O ATOM 2000 CB SER A 131 1.080 -8.605 11.022 1.00 0.28 C ATOM 2001 OG SER A 131 0.723 -9.656 11.904 1.00 -0.68 O ATOM 0 H SER A 131 1.717 -5.628 10.703 1.00 -0.73 H new ATOM 0 HA SER A 131 0.662 -7.369 12.713 1.00 0.36 H new ATOM 0 HB2 SER A 131 0.300 -8.463 10.274 1.00 0.28 H new ATOM 0 HB3 SER A 131 1.993 -8.861 10.485 1.00 0.28 H new ATOM 0 HG SER A 131 0.591 -10.481 11.393 1.00 -0.68 H new ATOM 2007 N SER A 132 3.351 -8.178 12.870 1.00 -0.73 N ATOM 2008 CA SER A 132 4.762 -8.200 13.270 1.00 0.36 C ATOM 2009 C SER A 132 5.390 -9.584 12.990 1.00 0.57 C ATOM 2010 O SER A 132 6.007 -10.200 13.866 1.00 -0.57 O ATOM 2011 CB SER A 132 4.929 -7.721 14.728 1.00 0.28 C ATOM 2012 OG SER A 132 6.183 -7.074 14.880 1.00 -0.68 O ATOM 0 H SER A 132 2.856 -9.039 13.103 1.00 -0.73 H new ATOM 0 HA SER A 132 5.319 -7.490 12.659 1.00 0.36 H new ATOM 0 HB2 SER A 132 4.122 -7.037 14.991 1.00 0.28 H new ATOM 0 HB3 SER A 132 4.862 -8.569 15.409 1.00 0.28 H new ATOM 0 HG SER A 132 6.284 -6.770 15.806 1.00 -0.68 H new ATOM 2018 N ASP A 133 5.174 -10.100 11.771 1.00 -0.73 N ATOM 2019 CA ASP A 133 5.618 -11.440 11.354 1.00 0.36 C ATOM 2020 C ASP A 133 6.929 -11.354 10.562 1.00 0.57 C ATOM 2021 O ASP A 133 7.073 -10.413 9.785 1.00 -0.57 O ATOM 2022 CB ASP A 133 4.534 -12.075 10.474 1.00 0.06 C ATOM 2023 CG ASP A 133 4.517 -13.589 10.614 1.00 0.66 C ATOM 2024 OD1 ASP A 133 4.806 -14.244 9.626 1.00 -0.57 O ATOM 2025 OD2 ASP A 133 4.267 -14.061 11.832 1.00 -0.65 O ATOM 0 H ASP A 133 4.680 -9.593 11.037 1.00 -0.73 H new ATOM 0 HA ASP A 133 5.787 -12.048 12.242 1.00 0.36 H new ATOM 0 HB2 ASP A 133 3.559 -11.672 10.749 1.00 0.06 H new ATOM 0 HB3 ASP A 133 4.707 -11.807 9.432 1.00 0.06 H new ATOM 2031 N PRO A 134 7.879 -12.308 10.666 1.00 -0.66 N ATOM 2032 CA PRO A 134 9.216 -12.138 10.098 1.00 0.36 C ATOM 2033 C PRO A 134 9.222 -12.019 8.567 1.00 0.57 C ATOM 2034 O PRO A 134 10.171 -11.467 8.008 1.00 -0.57 O ATOM 2035 CB PRO A 134 10.045 -13.329 10.589 1.00 0.00 C ATOM 2036 CG PRO A 134 9.015 -14.389 10.964 1.00 0.00 C ATOM 2037 CD PRO A 134 7.755 -13.603 11.308 1.00 0.30 C ATOM 0 HA PRO A 134 9.644 -11.193 10.432 1.00 0.36 H new ATOM 0 HB2 PRO A 134 10.719 -13.689 9.812 1.00 0.00 H new ATOM 0 HB3 PRO A 134 10.662 -13.056 11.445 1.00 0.00 H new ATOM 0 HG2 PRO A 134 8.838 -15.078 10.138 1.00 0.00 H new ATOM 0 HG3 PRO A 134 9.352 -14.986 11.811 1.00 0.00 H new ATOM 0 HD2 PRO A 134 6.866 -14.125 10.956 1.00 0.30 H new ATOM 0 HD3 PRO A 134 7.652 -13.491 12.387 1.00 0.30 H new ATOM 2045 N ASN A 135 8.160 -12.487 7.902 1.00 -0.73 N ATOM 2046 CA ASN A 135 8.010 -12.483 6.451 1.00 0.36 C ATOM 2047 C ASN A 135 6.665 -11.850 6.042 1.00 0.57 C ATOM 2048 O ASN A 135 6.147 -12.168 4.969 1.00 -0.57 O ATOM 2049 CB ASN A 135 8.190 -13.921 5.909 1.00 0.06 C ATOM 2050 CG ASN A 135 9.643 -14.398 5.951 1.00 0.57 C ATOM 2051 OD1 ASN A 135 10.539 -13.678 5.525 1.00 -0.57 O ATOM 2052 ND2 ASN A 135 9.897 -15.617 6.415 1.00 -0.80 N ATOM 0 H ASN A 135 7.356 -12.892 8.380 1.00 -0.73 H new ATOM 0 HA ASN A 135 8.786 -11.864 6.001 1.00 0.36 H new ATOM 0 HB2 ASN A 135 7.572 -14.603 6.493 1.00 0.06 H new ATOM 0 HB3 ASN A 135 7.829 -13.964 4.881 1.00 0.06 H new ATOM 0 HD21 ASN A 135 10.854 -15.971 6.422 1.00 -0.80 H new ATOM 0 HD22 ASN A 135 9.135 -16.199 6.765 1.00 -0.80 H new ATOM 2059 N ALA A 136 6.094 -10.970 6.883 1.00 -0.73 N ATOM 2060 CA ALA A 136 4.866 -10.239 6.578 1.00 0.36 C ATOM 2061 C ALA A 136 5.059 -9.315 5.364 1.00 0.57 C ATOM 2062 O ALA A 136 6.026 -8.546 5.268 1.00 -0.57 O ATOM 2063 CB ALA A 136 4.374 -9.466 7.814 1.00 0.00 C ATOM 0 H ALA A 136 6.481 -10.749 7.801 1.00 -0.73 H new ATOM 0 HA ALA A 136 4.093 -10.960 6.312 1.00 0.36 H new ATOM 0 HB1 ALA A 136 3.459 -8.928 7.566 1.00 0.00 H new ATOM 0 HB2 ALA A 136 4.175 -10.166 8.626 1.00 0.00 H new ATOM 0 HB3 ALA A 136 5.139 -8.755 8.127 1.00 0.00 H new ATOM 2069 N VAL A 137 4.094 -9.345 4.446 1.00 -0.73 N ATOM 2070 CA VAL A 137 3.998 -8.417 3.323 1.00 0.36 C ATOM 2071 C VAL A 137 3.720 -6.985 3.801 1.00 0.57 C ATOM 2072 O VAL A 137 4.119 -6.022 3.147 1.00 -0.57 O ATOM 2073 CB VAL A 137 2.967 -8.948 2.314 1.00 0.00 C ATOM 2074 CG1 VAL A 137 1.547 -9.041 2.856 1.00 0.00 C ATOM 2075 CG2 VAL A 137 2.908 -8.095 1.047 1.00 0.00 C ATOM 0 H VAL A 137 3.340 -10.032 4.464 1.00 -0.73 H new ATOM 0 HA VAL A 137 4.956 -8.358 2.806 1.00 0.36 H new ATOM 0 HB VAL A 137 3.326 -9.954 2.095 1.00 0.00 H new ATOM 0 HG11 VAL A 137 0.885 -9.424 2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 137 1.528 -9.714 3.713 1.00 0.00 H new ATOM 0 HG13 VAL A 137 1.210 -8.051 3.164 1.00 0.00 H new ATOM 0 HG21 VAL A 137 2.166 -8.509 0.364 1.00 0.00 H new ATOM 0 HG22 VAL A 137 2.631 -7.074 1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 137 3.885 -8.093 0.564 1.00 0.00 H new ATOM 2085 N MET A 138 3.128 -6.836 4.990 1.00 -0.73 N ATOM 2086 CA MET A 138 2.968 -5.559 5.668 1.00 0.36 C ATOM 2087 C MET A 138 3.929 -5.435 6.867 1.00 0.57 C ATOM 2088 O MET A 138 3.665 -4.637 7.764 1.00 -0.57 O ATOM 2089 CB MET A 138 1.482 -5.316 6.005 1.00 0.00 C ATOM 2090 CG MET A 138 0.745 -4.519 4.918 1.00 0.23 C ATOM 2091 SD MET A 138 0.291 -5.426 3.420 1.00 -0.46 S ATOM 2092 CE MET A 138 -1.064 -6.434 4.073 1.00 0.23 C ATOM 0 H MET A 138 2.740 -7.621 5.514 1.00 -0.73 H new ATOM 0 HA MET A 138 3.258 -4.750 4.998 1.00 0.36 H new ATOM 0 HB2 MET A 138 0.985 -6.276 6.145 1.00 0.00 H new ATOM 0 HB3 MET A 138 1.412 -4.780 6.952 1.00 0.00 H new ATOM 0 HG2 MET A 138 -0.164 -4.106 5.355 1.00 0.23 H new ATOM 0 HG3 MET A 138 1.372 -3.675 4.629 1.00 0.23 H new ATOM 0 HE1 MET A 138 -1.718 -6.738 3.256 1.00 0.23 H new ATOM 0 HE2 MET A 138 -0.656 -7.319 4.561 1.00 0.23 H new ATOM 0 HE3 MET A 138 -1.635 -5.852 4.796 1.00 0.23 H new ATOM 2102 N TYR A 139 5.054 -6.173 6.920 1.00 -0.73 N ATOM 2103 CA TYR A 139 5.986 -6.043 8.047 1.00 0.36 C ATOM 2104 C TYR A 139 6.529 -4.603 8.133 1.00 0.57 C ATOM 2105 O TYR A 139 6.973 -4.070 7.113 1.00 -0.57 O ATOM 2106 CB TYR A 139 7.166 -7.034 7.954 1.00 0.14 C ATOM 2107 CG TYR A 139 7.923 -7.297 9.252 1.00 -0.14 C ATOM 2108 CD1 TYR A 139 7.253 -7.430 10.488 1.00 -0.15 C ATOM 2109 CD2 TYR A 139 9.321 -7.444 9.223 1.00 -0.15 C ATOM 2110 CE1 TYR A 139 7.975 -7.624 11.686 1.00 -0.15 C ATOM 2111 CE2 TYR A 139 10.039 -7.700 10.409 1.00 -0.15 C ATOM 2112 CZ TYR A 139 9.372 -7.781 11.651 1.00 0.08 C ATOM 2113 OH TYR A 139 10.104 -7.912 12.792 1.00 -0.53 O ATOM 0 H TYR A 139 5.332 -6.851 6.210 1.00 -0.73 H new ATOM 0 HA TYR A 139 5.423 -6.281 8.949 1.00 0.36 H new ATOM 0 HB2 TYR A 139 6.787 -7.985 7.579 1.00 0.14 H new ATOM 0 HB3 TYR A 139 7.873 -6.658 7.214 1.00 0.14 H new ATOM 0 HD1 TYR A 139 6.174 -7.383 10.517 1.00 -0.15 H new ATOM 0 HD2 TYR A 139 9.849 -7.360 8.285 1.00 -0.15 H new ATOM 0 HE1 TYR A 139 7.453 -7.652 12.631 1.00 -0.15 H new ATOM 0 HE2 TYR A 139 11.110 -7.835 10.367 1.00 -0.15 H new ATOM 0 HH TYR A 139 11.052 -8.011 12.563 1.00 -0.53 H new ATOM 2123 N PRO A 140 6.520 -3.950 9.311 1.00 -0.66 N ATOM 2124 CA PRO A 140 7.124 -2.636 9.453 1.00 0.36 C ATOM 2125 C PRO A 140 8.657 -2.701 9.603 1.00 0.57 C ATOM 2126 O PRO A 140 9.373 -1.876 9.034 1.00 -0.57 O ATOM 2127 CB PRO A 140 6.437 -2.008 10.672 1.00 0.00 C ATOM 2128 CG PRO A 140 5.959 -3.190 11.511 1.00 0.00 C ATOM 2129 CD PRO A 140 5.764 -4.312 10.499 1.00 0.30 C ATOM 0 HA PRO A 140 6.977 -2.031 8.558 1.00 0.36 H new ATOM 0 HB2 PRO A 140 7.128 -1.380 11.234 1.00 0.00 H new ATOM 0 HB3 PRO A 140 5.602 -1.375 10.371 1.00 0.00 H new ATOM 0 HG2 PRO A 140 6.692 -3.462 12.270 1.00 0.00 H new ATOM 0 HG3 PRO A 140 5.030 -2.958 12.033 1.00 0.00 H new ATOM 0 HD2 PRO A 140 6.114 -5.262 10.904 1.00 0.30 H new ATOM 0 HD3 PRO A 140 4.708 -4.437 10.261 1.00 0.30 H new ATOM 2137 N THR A 141 9.194 -3.678 10.335 1.00 -0.73 N ATOM 2138 CA THR A 141 10.633 -3.797 10.588 1.00 0.36 C ATOM 2139 C THR A 141 11.330 -4.435 9.375 1.00 0.57 C ATOM 2140 O THR A 141 11.774 -5.581 9.409 1.00 -0.57 O ATOM 2141 CB THR A 141 10.842 -4.516 11.929 1.00 0.28 C ATOM 2142 OG1 THR A 141 10.169 -3.774 12.928 1.00 -0.68 O ATOM 2143 CG2 THR A 141 12.308 -4.668 12.346 1.00 0.00 C ATOM 0 H THR A 141 8.640 -4.414 10.772 1.00 -0.73 H new ATOM 0 HA THR A 141 11.110 -2.823 10.695 1.00 0.36 H new ATOM 0 HB THR A 141 10.451 -5.527 11.810 1.00 0.28 H new ATOM 0 HG1 THR A 141 10.285 -4.214 13.796 1.00 -0.68 H new ATOM 0 HG21 THR A 141 12.362 -5.186 13.303 1.00 0.00 H new ATOM 0 HG22 THR A 141 12.843 -5.244 11.591 1.00 0.00 H new ATOM 0 HG23 THR A 141 12.763 -3.682 12.441 1.00 0.00 H new ATOM 2151 N TYR A 142 11.356 -3.699 8.263 1.00 -0.73 N ATOM 2152 CA TYR A 142 11.855 -4.154 6.971 1.00 0.36 C ATOM 2153 C TYR A 142 13.248 -4.793 7.083 1.00 0.57 C ATOM 2154 O TYR A 142 14.122 -4.256 7.763 1.00 -0.57 O ATOM 2155 CB TYR A 142 11.873 -2.954 6.022 1.00 0.14 C ATOM 2156 CG TYR A 142 11.918 -3.306 4.551 1.00 -0.14 C ATOM 2157 CD1 TYR A 142 10.799 -3.911 3.945 1.00 -0.15 C ATOM 2158 CD2 TYR A 142 13.035 -2.950 3.772 1.00 -0.15 C ATOM 2159 CE1 TYR A 142 10.771 -4.099 2.552 1.00 -0.15 C ATOM 2160 CE2 TYR A 142 13.012 -3.141 2.381 1.00 -0.15 C ATOM 2161 CZ TYR A 142 11.863 -3.679 1.761 1.00 0.08 C ATOM 2162 OH TYR A 142 11.794 -3.749 0.404 1.00 -0.53 O ATOM 0 H TYR A 142 11.018 -2.737 8.240 1.00 -0.73 H new ATOM 0 HA TYR A 142 11.197 -4.932 6.584 1.00 0.36 H new ATOM 0 HB2 TYR A 142 10.986 -2.348 6.209 1.00 0.14 H new ATOM 0 HB3 TYR A 142 12.738 -2.335 6.259 1.00 0.14 H new ATOM 0 HD1 TYR A 142 9.963 -4.230 4.550 1.00 -0.15 H new ATOM 0 HD2 TYR A 142 13.910 -2.530 4.244 1.00 -0.15 H new ATOM 0 HE1 TYR A 142 9.915 -4.564 2.087 1.00 -0.15 H new ATOM 0 HE2 TYR A 142 13.873 -2.876 1.785 1.00 -0.15 H new ATOM 0 HH TYR A 142 12.631 -3.419 0.016 1.00 -0.53 H new ATOM 2172 N GLY A 143 13.451 -5.922 6.387 1.00 -0.73 N ATOM 2173 CA GLY A 143 14.701 -6.677 6.401 1.00 0.36 C ATOM 2174 C GLY A 143 14.605 -7.894 7.324 1.00 0.57 C ATOM 2175 O GLY A 143 14.589 -7.752 8.542 1.00 -0.57 O ATOM 0 H GLY A 143 12.736 -6.338 5.791 1.00 -0.73 H new ATOM 0 HA2 GLY A 143 14.943 -7.003 5.389 1.00 0.36 H new ATOM 0 HA3 GLY A 143 15.515 -6.031 6.731 1.00 0.36 H new ATOM 2179 N ASN A 144 14.539 -9.095 6.733 1.00 -0.73 N ATOM 2180 CA ASN A 144 14.572 -10.388 7.422 1.00 0.36 C ATOM 2181 C ASN A 144 14.824 -11.481 6.391 1.00 0.57 C ATOM 2182 O ASN A 144 15.801 -12.220 6.506 1.00 -0.57 O ATOM 2183 CB ASN A 144 13.226 -10.684 8.117 1.00 0.06 C ATOM 2184 CG ASN A 144 13.225 -10.444 9.624 1.00 0.57 C ATOM 2185 OD1 ASN A 144 14.241 -10.536 10.313 1.00 -0.57 O ATOM 2186 ND2 ASN A 144 12.046 -10.138 10.150 1.00 -0.80 N ATOM 0 H ASN A 144 14.458 -9.194 5.721 1.00 -0.73 H new ATOM 0 HA ASN A 144 15.360 -10.359 8.175 1.00 0.36 H new ATOM 0 HB2 ASN A 144 12.453 -10.064 7.663 1.00 0.06 H new ATOM 0 HB3 ASN A 144 12.954 -11.722 7.927 1.00 0.06 H new ATOM 0 HD21 ASN A 144 11.963 -9.971 11.153 1.00 -0.80 H new ATOM 0 HD22 ASN A 144 11.223 -10.069 9.552 1.00 -0.80 H new ATOM 2193 N GLY A 145 13.956 -11.534 5.372 1.00 -0.73 N ATOM 2194 CA GLY A 145 13.987 -12.510 4.299 1.00 0.36 C ATOM 2195 C GLY A 145 14.223 -11.786 2.983 1.00 0.57 C ATOM 2196 O GLY A 145 15.362 -11.405 2.692 1.00 -0.57 O ATOM 0 H GLY A 145 13.188 -10.869 5.278 1.00 -0.73 H new ATOM 0 HA2 GLY A 145 14.778 -13.239 4.475 1.00 0.36 H new ATOM 0 HA3 GLY A 145 13.047 -13.061 4.263 1.00 0.36 H new ATOM 2200 N ASP A 146 13.153 -11.574 2.207 1.00 -0.73 N ATOM 2201 CA ASP A 146 13.224 -11.086 0.837 1.00 0.36 C ATOM 2202 C ASP A 146 11.889 -10.416 0.461 1.00 0.57 C ATOM 2203 O ASP A 146 10.872 -11.105 0.350 1.00 -0.57 O ATOM 2204 CB ASP A 146 13.539 -12.262 -0.102 1.00 0.06 C ATOM 2205 CG ASP A 146 13.570 -11.891 -1.586 1.00 0.66 C ATOM 2206 OD1 ASP A 146 13.402 -10.723 -1.897 1.00 -0.57 O ATOM 2207 OD2 ASP A 146 13.734 -12.898 -2.439 1.00 -0.65 O ATOM 0 H ASP A 146 12.199 -11.742 2.526 1.00 -0.73 H new ATOM 0 HA ASP A 146 14.017 -10.344 0.741 1.00 0.36 H new ATOM 0 HB2 ASP A 146 14.505 -12.685 0.175 1.00 0.06 H new ATOM 0 HB3 ASP A 146 12.794 -13.043 0.050 1.00 0.06 H new ATOM 2213 N PRO A 147 11.853 -9.084 0.261 1.00 -0.66 N ATOM 2214 CA PRO A 147 10.650 -8.365 -0.127 1.00 0.36 C ATOM 2215 C PRO A 147 10.346 -8.468 -1.631 1.00 0.57 C ATOM 2216 O PRO A 147 9.275 -8.026 -2.047 1.00 -0.57 O ATOM 2217 CB PRO A 147 10.916 -6.915 0.279 1.00 0.00 C ATOM 2218 CG PRO A 147 12.428 -6.778 0.102 1.00 0.00 C ATOM 2219 CD PRO A 147 12.968 -8.166 0.415 1.00 0.30 C ATOM 0 HA PRO A 147 9.771 -8.788 0.360 1.00 0.36 H new ATOM 0 HB2 PRO A 147 10.371 -6.213 -0.352 1.00 0.00 H new ATOM 0 HB3 PRO A 147 10.611 -6.722 1.308 1.00 0.00 H new ATOM 0 HG2 PRO A 147 12.684 -6.470 -0.912 1.00 0.00 H new ATOM 0 HG3 PRO A 147 12.842 -6.028 0.777 1.00 0.00 H new ATOM 0 HD2 PRO A 147 13.782 -8.427 -0.261 1.00 0.30 H new ATOM 0 HD3 PRO A 147 13.368 -8.208 1.428 1.00 0.30 H new ATOM 2227 N GLN A 148 11.247 -9.010 -2.465 1.00 -0.73 N ATOM 2228 CA GLN A 148 10.994 -9.236 -3.891 1.00 0.36 C ATOM 2229 C GLN A 148 10.015 -10.413 -4.101 1.00 0.57 C ATOM 2230 O GLN A 148 9.386 -10.529 -5.163 1.00 -0.57 O ATOM 2231 CB GLN A 148 12.346 -9.486 -4.591 1.00 0.00 C ATOM 2232 CG GLN A 148 12.302 -9.362 -6.127 1.00 0.06 C ATOM 2233 CD GLN A 148 12.715 -10.650 -6.841 1.00 0.57 C ATOM 2234 OE1 GLN A 148 13.831 -11.134 -6.702 1.00 -0.57 O ATOM 2235 NE2 GLN A 148 11.796 -11.264 -7.565 1.00 -0.80 N ATOM 0 H GLN A 148 12.176 -9.304 -2.164 1.00 -0.73 H new ATOM 0 HA GLN A 148 10.520 -8.357 -4.329 1.00 0.36 H new ATOM 0 HB2 GLN A 148 13.078 -8.778 -4.203 1.00 0.00 H new ATOM 0 HB3 GLN A 148 12.697 -10.484 -4.329 1.00 0.00 H new ATOM 0 HG2 GLN A 148 11.293 -9.089 -6.436 1.00 0.06 H new ATOM 0 HG3 GLN A 148 12.961 -8.552 -6.440 1.00 0.06 H new ATOM 0 HE21 GLN A 148 10.870 -10.849 -7.672 1.00 -0.80 H new ATOM 0 HE22 GLN A 148 12.012 -12.153 -8.017 1.00 -0.80 H new ATOM 2244 N ASN A 149 9.859 -11.256 -3.070 1.00 -0.73 N ATOM 2245 CA ASN A 149 9.072 -12.480 -3.061 1.00 0.36 C ATOM 2246 C ASN A 149 7.930 -12.345 -2.053 1.00 0.57 C ATOM 2247 O ASN A 149 7.941 -12.953 -0.978 1.00 -0.57 O ATOM 2248 CB ASN A 149 9.961 -13.684 -2.747 1.00 0.06 C ATOM 2249 CG ASN A 149 10.684 -14.196 -3.976 1.00 0.57 C ATOM 2250 OD1 ASN A 149 10.046 -14.704 -4.893 1.00 -0.57 O ATOM 2251 ND2 ASN A 149 12.000 -14.101 -4.000 1.00 -0.80 N ATOM 0 H ASN A 149 10.309 -11.084 -2.171 1.00 -0.73 H new ATOM 0 HA ASN A 149 8.640 -12.643 -4.048 1.00 0.36 H new ATOM 0 HB2 ASN A 149 10.691 -13.406 -1.987 1.00 0.06 H new ATOM 0 HB3 ASN A 149 9.352 -14.484 -2.326 1.00 0.06 H new ATOM 0 HD21 ASN A 149 12.522 -14.457 -4.801 1.00 -0.80 H new ATOM 0 HD22 ASN A 149 12.495 -13.672 -3.218 1.00 -0.80 H new ATOM 2258 N PHE A 150 6.925 -11.557 -2.436 1.00 -0.73 N ATOM 2259 CA PHE A 150 5.772 -11.205 -1.624 1.00 0.36 C ATOM 2260 C PHE A 150 4.512 -11.491 -2.446 1.00 0.57 C ATOM 2261 O PHE A 150 4.368 -11.006 -3.569 1.00 -0.57 O ATOM 2262 CB PHE A 150 5.887 -9.726 -1.223 1.00 0.14 C ATOM 2263 CG PHE A 150 5.485 -8.733 -2.309 1.00 -0.14 C ATOM 2264 CD1 PHE A 150 6.320 -8.511 -3.422 1.00 -0.15 C ATOM 2265 CD2 PHE A 150 4.188 -8.188 -2.306 1.00 -0.15 C ATOM 2266 CE1 PHE A 150 5.845 -7.781 -4.525 1.00 -0.15 C ATOM 2267 CE2 PHE A 150 3.726 -7.437 -3.392 1.00 -0.15 C ATOM 2268 CZ PHE A 150 4.552 -7.234 -4.504 1.00 -0.15 C ATOM 0 H PHE A 150 6.896 -11.131 -3.362 1.00 -0.73 H new ATOM 0 HA PHE A 150 5.722 -11.792 -0.707 1.00 0.36 H new ATOM 0 HB2 PHE A 150 5.265 -9.553 -0.345 1.00 0.14 H new ATOM 0 HB3 PHE A 150 6.917 -9.523 -0.929 1.00 0.14 H new ATOM 0 HD1 PHE A 150 7.327 -8.902 -3.428 1.00 -0.15 H new ATOM 0 HD2 PHE A 150 3.542 -8.351 -1.456 1.00 -0.15 H new ATOM 0 HE1 PHE A 150 6.476 -7.640 -5.390 1.00 -0.15 H new ATOM 0 HE2 PHE A 150 2.732 -7.014 -3.373 1.00 -0.15 H new ATOM 0 HZ PHE A 150 4.195 -6.657 -5.345 1.00 -0.15 H new ATOM 2278 N LYS A 151 3.619 -12.332 -1.924 1.00 -0.73 N ATOM 2279 CA LYS A 151 2.364 -12.681 -2.586 1.00 0.36 C ATOM 2280 C LYS A 151 1.332 -12.966 -1.499 1.00 0.57 C ATOM 2281 O LYS A 151 0.961 -14.121 -1.311 1.00 -0.57 O ATOM 2282 CB LYS A 151 2.492 -13.881 -3.555 1.00 0.00 C ATOM 2283 CG LYS A 151 3.409 -13.714 -4.778 1.00 0.00 C ATOM 2284 CD LYS A 151 4.882 -14.078 -4.502 1.00 0.00 C ATOM 2285 CE LYS A 151 5.583 -14.554 -5.772 1.00 0.50 C ATOM 2286 NZ LYS A 151 5.129 -15.897 -6.187 1.00 -0.85 N ATOM 0 H LYS A 151 3.748 -12.793 -1.023 1.00 -0.73 H new ATOM 0 HA LYS A 151 2.057 -11.843 -3.211 1.00 0.36 H new ATOM 0 HB2 LYS A 151 2.848 -14.738 -2.983 1.00 0.00 H new ATOM 0 HB3 LYS A 151 1.494 -14.130 -3.915 1.00 0.00 H new ATOM 0 HG2 LYS A 151 3.035 -14.339 -5.589 1.00 0.00 H new ATOM 0 HG3 LYS A 151 3.357 -12.681 -5.122 1.00 0.00 H new ATOM 0 HD2 LYS A 151 5.404 -13.210 -4.099 1.00 0.00 H new ATOM 0 HD3 LYS A 151 4.930 -14.859 -3.743 1.00 0.00 H new ATOM 0 HE2 LYS A 151 5.395 -13.844 -6.577 1.00 0.50 H new ATOM 0 HE3 LYS A 151 6.660 -14.571 -5.606 1.00 0.50 H new ATOM 0 HZ1 LYS A 151 5.819 -16.308 -6.847 1.00 -0.85 H new ATOM 0 HZ2 LYS A 151 5.044 -16.509 -5.350 1.00 -0.85 H new ATOM 0 HZ3 LYS A 151 4.204 -15.821 -6.656 1.00 -0.85 H new ATOM 2300 N LEU A 152 0.927 -11.910 -0.779 1.00 -0.73 N ATOM 2301 CA LEU A 152 -0.122 -11.923 0.238 1.00 0.36 C ATOM 2302 C LEU A 152 0.139 -13.032 1.281 1.00 0.57 C ATOM 2303 O LEU A 152 -0.397 -14.128 1.178 1.00 -0.57 O ATOM 2304 CB LEU A 152 -1.521 -11.980 -0.429 1.00 0.00 C ATOM 2305 CG LEU A 152 -1.866 -10.784 -1.349 1.00 0.00 C ATOM 2306 CD1 LEU A 152 -1.443 -11.015 -2.805 1.00 0.00 C ATOM 2307 CD2 LEU A 152 -3.371 -10.491 -1.354 1.00 0.00 C ATOM 0 H LEU A 152 1.343 -10.986 -0.898 1.00 -0.73 H new ATOM 0 HA LEU A 152 -0.103 -10.990 0.802 1.00 0.36 H new ATOM 0 HB2 LEU A 152 -1.589 -12.898 -1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -2.276 -12.044 0.354 1.00 0.00 H new ATOM 0 HG LEU A 152 -1.310 -9.942 -0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -1.710 -10.144 -3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -0.365 -11.170 -2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -1.953 -11.895 -3.197 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -3.575 -9.645 -2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -3.911 -11.367 -1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -3.698 -10.252 -0.342 1.00 0.00 H new ATOM 2319 N SER A 153 1.038 -12.780 2.245 1.00 -0.73 N ATOM 2320 CA SER A 153 1.611 -13.803 3.118 1.00 0.36 C ATOM 2321 C SER A 153 0.597 -14.480 4.044 1.00 0.57 C ATOM 2322 O SER A 153 0.209 -15.618 3.788 1.00 -0.57 O ATOM 2323 CB SER A 153 2.793 -13.222 3.903 1.00 0.28 C ATOM 2324 OG SER A 153 2.640 -11.837 4.124 1.00 -0.68 O ATOM 0 H SER A 153 1.390 -11.842 2.439 1.00 -0.73 H new ATOM 0 HA SER A 153 1.966 -14.601 2.466 1.00 0.36 H new ATOM 0 HB2 SER A 153 2.882 -13.736 4.860 1.00 0.28 H new ATOM 0 HB3 SER A 153 3.718 -13.404 3.356 1.00 0.28 H new ATOM 0 HG SER A 153 2.508 -11.671 5.081 1.00 -0.68 H new ATOM 2330 N GLN A 154 0.211 -13.820 5.138 1.00 -0.73 N ATOM 2331 CA GLN A 154 -0.754 -14.318 6.118 1.00 0.36 C ATOM 2332 C GLN A 154 -1.490 -13.129 6.705 1.00 0.57 C ATOM 2333 O GLN A 154 -2.705 -13.125 6.693 1.00 -0.57 O ATOM 2334 CB GLN A 154 -0.081 -15.084 7.274 1.00 0.00 C ATOM 2335 CG GLN A 154 0.472 -16.451 6.857 1.00 0.06 C ATOM 2336 CD GLN A 154 1.059 -17.266 8.012 1.00 0.57 C ATOM 2337 OE1 GLN A 154 0.900 -16.953 9.193 1.00 -0.57 O ATOM 2338 NE2 GLN A 154 1.741 -18.351 7.664 1.00 -0.80 N ATOM 0 H GLN A 154 0.573 -12.896 5.373 1.00 -0.73 H new ATOM 0 HA GLN A 154 -1.425 -15.007 5.605 1.00 0.36 H new ATOM 0 HB2 GLN A 154 0.731 -14.479 7.677 1.00 0.00 H new ATOM 0 HB3 GLN A 154 -0.804 -15.223 8.078 1.00 0.00 H new ATOM 0 HG2 GLN A 154 -0.327 -17.027 6.389 1.00 0.06 H new ATOM 0 HG3 GLN A 154 1.244 -16.304 6.101 1.00 0.06 H new ATOM 0 HE21 GLN A 154 1.857 -18.586 6.678 1.00 -0.80 H new ATOM 0 HE22 GLN A 154 2.149 -18.949 8.382 1.00 -0.80 H new ATOM 2347 N ASP A 155 -0.752 -12.107 7.139 1.00 -0.73 N ATOM 2348 CA ASP A 155 -1.190 -10.763 7.493 1.00 0.36 C ATOM 2349 C ASP A 155 -2.149 -10.177 6.455 1.00 0.57 C ATOM 2350 O ASP A 155 -3.187 -9.624 6.820 1.00 -0.57 O ATOM 2351 CB ASP A 155 0.066 -9.886 7.683 1.00 0.06 C ATOM 2352 CG ASP A 155 1.107 -9.951 6.536 1.00 0.66 C ATOM 2353 OD1 ASP A 155 1.646 -8.922 6.162 1.00 -0.57 O ATOM 2354 OD2 ASP A 155 1.448 -11.144 6.058 1.00 -0.65 O ATOM 0 H ASP A 155 0.255 -12.211 7.261 1.00 -0.73 H new ATOM 0 HA ASP A 155 -1.758 -10.797 8.423 1.00 0.36 H new ATOM 0 HB2 ASP A 155 -0.251 -8.850 7.804 1.00 0.06 H new ATOM 0 HB3 ASP A 155 0.556 -10.180 8.611 1.00 0.06 H new ATOM 2360 N ASP A 156 -1.849 -10.366 5.168 1.00 -0.73 N ATOM 2361 CA ASP A 156 -2.678 -9.892 4.062 1.00 0.36 C ATOM 2362 C ASP A 156 -4.016 -10.625 4.021 1.00 0.57 C ATOM 2363 O ASP A 156 -5.062 -10.003 4.189 1.00 -0.57 O ATOM 2364 CB ASP A 156 -1.907 -10.094 2.755 1.00 0.06 C ATOM 2365 CG ASP A 156 -2.188 -8.999 1.728 1.00 0.66 C ATOM 2366 OD1 ASP A 156 -3.356 -8.686 1.563 1.00 -0.57 O ATOM 2367 OD2 ASP A 156 -1.145 -8.487 1.082 1.00 -0.65 O ATOM 0 H ASP A 156 -1.011 -10.860 4.862 1.00 -0.73 H new ATOM 0 HA ASP A 156 -2.898 -8.834 4.202 1.00 0.36 H new ATOM 0 HB2 ASP A 156 -0.839 -10.120 2.969 1.00 0.06 H new ATOM 0 HB3 ASP A 156 -2.170 -11.062 2.329 1.00 0.06 H new ATOM 2373 N ILE A 157 -3.983 -11.965 3.899 1.00 -0.73 N ATOM 2374 CA ILE A 157 -5.193 -12.789 3.896 1.00 0.36 C ATOM 2375 C ILE A 157 -5.955 -12.589 5.204 1.00 0.57 C ATOM 2376 O ILE A 157 -7.179 -12.561 5.180 1.00 -0.57 O ATOM 2377 CB ILE A 157 -4.886 -14.284 3.596 1.00 0.00 C ATOM 2378 CG1 ILE A 157 -4.720 -14.520 2.076 1.00 0.00 C ATOM 2379 CG2 ILE A 157 -5.985 -15.244 4.089 1.00 0.00 C ATOM 2380 CD1 ILE A 157 -3.269 -14.395 1.639 1.00 0.00 C ATOM 0 H ILE A 157 -3.119 -12.499 3.801 1.00 -0.73 H new ATOM 0 HA ILE A 157 -5.837 -12.461 3.080 1.00 0.36 H new ATOM 0 HB ILE A 157 -3.963 -14.497 4.135 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -5.092 -15.512 1.820 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -5.328 -13.800 1.528 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -5.707 -16.270 3.848 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -6.099 -15.143 5.168 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -6.928 -14.999 3.600 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -3.196 -14.568 0.565 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -2.904 -13.394 1.871 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -2.665 -15.133 2.167 1.00 0.00 H new ATOM 2392 N LYS A 158 -5.264 -12.433 6.337 1.00 -0.73 N ATOM 2393 CA LYS A 158 -5.880 -12.184 7.628 1.00 0.36 C ATOM 2394 C LYS A 158 -6.681 -10.893 7.551 1.00 0.57 C ATOM 2395 O LYS A 158 -7.800 -10.869 8.045 1.00 -0.57 O ATOM 2396 CB LYS A 158 -4.820 -12.140 8.734 1.00 0.00 C ATOM 2397 CG LYS A 158 -5.438 -12.101 10.134 1.00 0.00 C ATOM 2398 CD LYS A 158 -4.386 -11.702 11.174 1.00 0.00 C ATOM 2399 CE LYS A 158 -5.066 -11.368 12.508 1.00 0.50 C ATOM 2400 NZ LYS A 158 -4.500 -10.145 13.106 1.00 -0.85 N ATOM 0 H LYS A 158 -4.246 -12.478 6.375 1.00 -0.73 H new ATOM 0 HA LYS A 158 -6.560 -12.998 7.880 1.00 0.36 H new ATOM 0 HB2 LYS A 158 -4.174 -13.014 8.649 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -4.189 -11.262 8.594 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -6.265 -11.391 10.153 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -5.851 -13.078 10.383 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -3.674 -12.515 11.313 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -3.821 -10.840 10.819 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -6.136 -11.236 12.350 1.00 0.50 H new ATOM 0 HE3 LYS A 158 -4.946 -12.202 13.199 1.00 0.50 H new ATOM 0 HZ1 LYS A 158 -4.980 -9.945 14.007 1.00 -0.85 H new ATOM 0 HZ2 LYS A 158 -3.483 -10.281 13.278 1.00 -0.85 H new ATOM 0 HZ3 LYS A 158 -4.637 -9.345 12.456 1.00 -0.85 H new ATOM 2414 N GLY A 159 -6.154 -9.852 6.900 1.00 -0.73 N ATOM 2415 CA GLY A 159 -6.877 -8.610 6.687 1.00 0.36 C ATOM 2416 C GLY A 159 -8.034 -8.831 5.723 1.00 0.57 C ATOM 2417 O GLY A 159 -9.175 -8.531 6.063 1.00 -0.57 O ATOM 0 H GLY A 159 -5.212 -9.854 6.508 1.00 -0.73 H new ATOM 0 HA2 GLY A 159 -7.254 -8.233 7.638 1.00 0.36 H new ATOM 0 HA3 GLY A 159 -6.202 -7.852 6.289 1.00 0.36 H new ATOM 2421 N ILE A 160 -7.768 -9.403 4.549 1.00 -0.73 N ATOM 2422 CA ILE A 160 -8.766 -9.637 3.504 1.00 0.36 C ATOM 2423 C ILE A 160 -9.947 -10.466 4.025 1.00 0.57 C ATOM 2424 O ILE A 160 -11.098 -10.057 3.860 1.00 -0.57 O ATOM 2425 CB ILE A 160 -8.076 -10.308 2.296 1.00 0.00 C ATOM 2426 CG1 ILE A 160 -7.123 -9.364 1.528 1.00 0.00 C ATOM 2427 CG2 ILE A 160 -9.101 -10.937 1.344 1.00 0.00 C ATOM 2428 CD1 ILE A 160 -7.779 -8.122 0.922 1.00 0.00 C ATOM 0 H ILE A 160 -6.834 -9.723 4.292 1.00 -0.73 H new ATOM 0 HA ILE A 160 -9.186 -8.683 3.186 1.00 0.36 H new ATOM 0 HB ILE A 160 -7.455 -11.100 2.714 1.00 0.00 H new ATOM 0 HG12 ILE A 160 -6.333 -9.043 2.206 1.00 0.00 H new ATOM 0 HG13 ILE A 160 -6.646 -9.929 0.728 1.00 0.00 H new ATOM 0 HG21 ILE A 160 -8.582 -11.400 0.505 1.00 0.00 H new ATOM 0 HG22 ILE A 160 -9.676 -11.694 1.877 1.00 0.00 H new ATOM 0 HG23 ILE A 160 -9.774 -10.165 0.972 1.00 0.00 H new ATOM 0 HD11 ILE A 160 -7.025 -7.528 0.406 1.00 0.00 H new ATOM 0 HD12 ILE A 160 -8.549 -8.426 0.213 1.00 0.00 H new ATOM 0 HD13 ILE A 160 -8.231 -7.526 1.715 1.00 0.00 H new ATOM 2440 N GLN A 161 -9.687 -11.609 4.667 1.00 -0.73 N ATOM 2441 CA GLN A 161 -10.738 -12.486 5.165 1.00 0.36 C ATOM 2442 C GLN A 161 -11.503 -11.820 6.314 1.00 0.57 C ATOM 2443 O GLN A 161 -12.685 -12.091 6.496 1.00 -0.57 O ATOM 2444 CB GLN A 161 -10.169 -13.866 5.553 1.00 0.00 C ATOM 2445 CG GLN A 161 -9.483 -13.888 6.931 1.00 0.06 C ATOM 2446 CD GLN A 161 -8.683 -15.158 7.218 1.00 0.57 C ATOM 2447 OE1 GLN A 161 -8.739 -16.151 6.498 1.00 -0.57 O ATOM 2448 NE2 GLN A 161 -7.910 -15.126 8.303 1.00 -0.80 N ATOM 0 H GLN A 161 -8.743 -11.947 4.853 1.00 -0.73 H new ATOM 0 HA GLN A 161 -11.457 -12.658 4.364 1.00 0.36 H new ATOM 0 HB2 GLN A 161 -10.978 -14.597 5.548 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -9.451 -14.179 4.795 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -8.816 -13.029 7.005 1.00 0.06 H new ATOM 0 HG3 GLN A 161 -10.243 -13.770 7.703 1.00 0.06 H new ATOM 0 HE21 GLN A 161 -7.882 -14.288 8.884 1.00 -0.80 H new ATOM 0 HE22 GLN A 161 -7.347 -15.939 8.552 1.00 -0.80 H new ATOM 2457 N LYS A 162 -10.845 -10.934 7.077 1.00 -0.73 N ATOM 2458 CA LYS A 162 -11.492 -10.174 8.137 1.00 0.36 C ATOM 2459 C LYS A 162 -12.352 -9.036 7.572 1.00 0.57 C ATOM 2460 O LYS A 162 -13.282 -8.599 8.248 1.00 -0.57 O ATOM 2461 CB LYS A 162 -10.401 -9.681 9.111 1.00 0.00 C ATOM 2462 CG LYS A 162 -10.837 -8.923 10.375 1.00 0.00 C ATOM 2463 CD LYS A 162 -11.382 -9.801 11.512 1.00 0.00 C ATOM 2464 CE LYS A 162 -12.619 -10.597 11.083 1.00 0.50 C ATOM 2465 NZ LYS A 162 -13.364 -11.172 12.215 1.00 -0.85 N ATOM 0 H LYS A 162 -9.851 -10.730 6.970 1.00 -0.73 H new ATOM 0 HA LYS A 162 -12.188 -10.809 8.685 1.00 0.36 H new ATOM 0 HB2 LYS A 162 -9.822 -10.549 9.427 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -9.725 -9.033 8.552 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -9.985 -8.357 10.752 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -11.603 -8.199 10.098 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -10.605 -10.490 11.842 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -11.634 -9.172 12.366 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -13.282 -9.945 10.514 1.00 0.50 H new ATOM 0 HE3 LYS A 162 -12.311 -11.401 10.414 1.00 0.50 H new ATOM 0 HZ1 LYS A 162 -14.188 -11.697 11.858 1.00 -0.85 H new ATOM 0 HZ2 LYS A 162 -12.745 -11.818 12.746 1.00 -0.85 H new ATOM 0 HZ3 LYS A 162 -13.686 -10.408 12.843 1.00 -0.85 H new ATOM 2479 N LEU A 163 -12.062 -8.570 6.353 1.00 -0.73 N ATOM 2480 CA LEU A 163 -12.843 -7.542 5.674 1.00 0.36 C ATOM 2481 C LEU A 163 -14.026 -8.164 4.915 1.00 0.57 C ATOM 2482 O LEU A 163 -15.152 -7.689 5.076 1.00 -0.57 O ATOM 2483 CB LEU A 163 -11.926 -6.764 4.713 1.00 0.00 C ATOM 2484 CG LEU A 163 -10.888 -5.836 5.372 1.00 0.00 C ATOM 2485 CD1 LEU A 163 -9.745 -5.532 4.391 1.00 0.00 C ATOM 2486 CD2 LEU A 163 -11.529 -4.519 5.817 1.00 0.00 C ATOM 0 H LEU A 163 -11.267 -8.903 5.807 1.00 -0.73 H new ATOM 0 HA LEU A 163 -13.253 -6.856 6.415 1.00 0.36 H new ATOM 0 HB2 LEU A 163 -11.396 -7.482 4.087 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -12.551 -6.165 4.051 1.00 0.00 H new ATOM 0 HG LEU A 163 -10.494 -6.351 6.248 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -9.019 -4.875 4.870 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -9.257 -6.463 4.102 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -10.147 -5.042 3.504 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -10.773 -3.884 6.279 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -11.952 -4.009 4.951 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -12.320 -4.725 6.539 1.00 0.00 H new ATOM 2498 N TYR A 164 -13.793 -9.225 4.122 1.00 -0.73 N ATOM 2499 CA TYR A 164 -14.785 -9.751 3.169 1.00 0.36 C ATOM 2500 C TYR A 164 -14.811 -11.292 3.126 1.00 0.57 C ATOM 2501 O TYR A 164 -15.291 -11.871 2.147 1.00 -0.57 O ATOM 2502 CB TYR A 164 -14.541 -9.182 1.753 1.00 0.14 C ATOM 2503 CG TYR A 164 -14.233 -7.697 1.638 1.00 -0.14 C ATOM 2504 CD1 TYR A 164 -12.894 -7.275 1.683 1.00 -0.15 C ATOM 2505 CD2 TYR A 164 -15.254 -6.747 1.437 1.00 -0.15 C ATOM 2506 CE1 TYR A 164 -12.559 -5.925 1.495 1.00 -0.15 C ATOM 2507 CE2 TYR A 164 -14.932 -5.386 1.270 1.00 -0.15 C ATOM 2508 CZ TYR A 164 -13.577 -4.970 1.296 1.00 0.08 C ATOM 2509 OH TYR A 164 -13.237 -3.661 1.137 1.00 -0.53 O ATOM 0 H TYR A 164 -12.913 -9.741 4.124 1.00 -0.73 H new ATOM 0 HA TYR A 164 -15.761 -9.422 3.525 1.00 0.36 H new ATOM 0 HB2 TYR A 164 -13.713 -9.733 1.307 1.00 0.14 H new ATOM 0 HB3 TYR A 164 -15.425 -9.390 1.150 1.00 0.14 H new ATOM 0 HD1 TYR A 164 -12.113 -7.998 1.864 1.00 -0.15 H new ATOM 0 HD2 TYR A 164 -16.286 -7.063 1.411 1.00 -0.15 H new ATOM 0 HE1 TYR A 164 -11.523 -5.618 1.503 1.00 -0.15 H new ATOM 0 HE2 TYR A 164 -15.717 -4.659 1.122 1.00 -0.15 H new ATOM 0 HH TYR A 164 -14.048 -3.126 1.009 1.00 -0.53 H new