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= -1.98 X(o=-1.5,f=-1.8) USER MOD Set 1.2: A 124 HIS : +bothHN:sc= 1.31 K(o=-1.5,f=-8.4!) USER MOD Set 1.3: A 130 HIS : no HD1:sc= -0.799 X(o=-1.5,f=-1.1) USER MOD Set 2.1: A 69 HIS : no HD1:sc= -1.12 K(o=-1,f=-1.9) USER MOD Set 2.2: A 84 HIS : no HE2:sc= -0.89 K(o=-1,f=-1.8) USER MOD Set 2.3: A 97 HIS : no HD1:sc= 0.973 K(o=-1,f=-6.5!) USER MOD Set 3.1: A 80 ASN : amide:sc= -0.638 X(o=-0.58,f=-0.63) USER MOD Set 3.2: A 81 THR OG1 : rot 180:sc= 0.0602 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00341 USER MOD Single : A 12 SER OG : rot -143:sc= 1.49 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.614 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -174:sc= 1.09 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 132:sc= 0.198 USER MOD Single : A 28 HIS : no HD1:sc= -0.219 X(o=-0.22,f=-0.65) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0323 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=-0.00233 K(o=-0.0023,f=-0.73) USER MOD Single : A 41 MET CE :methyl 164:sc= 0 (180deg=-0.105) USER MOD Single : A 44 LYS NZ :NH3+ 151:sc= 0.991 (180deg=0.0452) USER MOD Single : A 49 HIS : no HE2:sc= 0.352 K(o=0.35,f=-1.4) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 61:sc= 0.223 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0203 USER MOD Single : A 105 THR OG1 : rot 140:sc=-0.00397 USER MOD Single : A 108 SER OG : rot 40:sc= 0.0403 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.331 K(o=-0.33,f=-10!) USER MOD Single : A 116 TYR OH : rot 130:sc= -0.0131 USER MOD Single : A 119 THR OG1 : rot 77:sc= 1.12 USER MOD Single : A 125 SER OG : rot 61:sc= 1.08 USER MOD Single : A 128 MET CE :methyl 140:sc= -0.221 (180deg=-1.15) USER MOD Single : A 131 SER OG : rot 177:sc= 1.27 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc=-0.00139 K(o=-0.0014,f=-1.8) USER MOD Single : A 138 MET CE :methyl -111:sc= -0.949 (180deg=-1.25) 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= -0.0653 USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 149 ASN : amide:sc= -0.262 X(o=-0.26,f=-0.26) USER MOD Single : A 151 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00576) USER MOD Single : A 153 SER OG : rot 157:sc= 0.285 USER MOD Single : A 154 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= -0.0122 (180deg=-0.0122) USER MOD Single : A 161 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.18) USER MOD Single : A 162 LYS NZ :NH3+ 170:sc= -0.0872 (180deg=-0.272) USER MOD Single : A 164 TYR OH : rot 30:sc= -0.241 USER MOD ----------------------------------------------------------------- ATOM 109 N PRO A 8 -12.498 2.279 8.243 1.00 -0.66 N ATOM 110 CA PRO A 8 -11.729 1.320 7.464 1.00 0.36 C ATOM 111 C PRO A 8 -12.663 0.638 6.456 1.00 0.57 C ATOM 112 O PRO A 8 -13.748 0.195 6.838 1.00 -0.57 O ATOM 113 CB PRO A 8 -11.135 0.333 8.470 1.00 0.00 C ATOM 114 CG PRO A 8 -12.113 0.361 9.645 1.00 0.00 C ATOM 115 CD PRO A 8 -12.804 1.727 9.555 1.00 0.30 C ATOM 0 HA PRO A 8 -10.926 1.782 6.889 1.00 0.36 H new ATOM 0 HB2 PRO A 8 -11.052 -0.667 8.045 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.133 0.633 8.778 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.836 -0.452 9.576 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.592 0.244 10.595 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.881 1.623 9.687 1.00 0.30 H new ATOM 0 HD3 PRO A 8 -12.449 2.390 10.344 1.00 0.30 H new ATOM 123 N LYS A 9 -12.203 0.535 5.199 1.00 -0.73 N ATOM 124 CA LYS A 9 -12.889 -0.052 4.046 1.00 0.36 C ATOM 125 C LYS A 9 -13.841 0.988 3.446 1.00 0.57 C ATOM 126 O LYS A 9 -14.832 1.364 4.072 1.00 -0.57 O ATOM 127 CB LYS A 9 -13.606 -1.372 4.404 1.00 0.00 C ATOM 128 CG LYS A 9 -13.673 -2.363 3.231 1.00 0.00 C ATOM 129 CD LYS A 9 -15.060 -3.007 3.072 1.00 0.00 C ATOM 130 CE LYS A 9 -15.961 -2.106 2.217 1.00 0.50 C ATOM 131 NZ LYS A 9 -17.091 -2.842 1.616 1.00 -0.85 N ATOM 0 H LYS A 9 -11.278 0.885 4.948 1.00 -0.73 H new ATOM 0 HA LYS A 9 -12.149 -0.322 3.293 1.00 0.36 H new ATOM 0 HB2 LYS A 9 -13.089 -1.843 5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -14.618 -1.148 4.740 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -13.410 -1.845 2.309 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -12.929 -3.146 3.380 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.964 -3.987 2.605 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -15.512 -3.163 4.051 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -16.347 -1.294 2.833 1.00 0.50 H new ATOM 0 HE3 LYS A 9 -15.367 -1.650 1.425 1.00 0.50 H new ATOM 0 HZ1 LYS A 9 -17.668 -2.189 1.049 1.00 -0.85 H new ATOM 0 HZ2 LYS A 9 -16.726 -3.601 1.005 1.00 -0.85 H new ATOM 0 HZ3 LYS A 9 -17.676 -3.256 2.370 1.00 -0.85 H new ATOM 145 N TRP A 10 -13.530 1.476 2.241 1.00 -0.73 N ATOM 146 CA TRP A 10 -14.348 2.472 1.546 1.00 0.36 C ATOM 147 C TRP A 10 -15.793 1.984 1.374 1.00 0.57 C ATOM 148 O TRP A 10 -16.035 0.785 1.200 1.00 -0.57 O ATOM 149 CB TRP A 10 -13.730 2.804 0.183 1.00 0.18 C ATOM 150 CG TRP A 10 -12.262 3.111 0.184 1.00 -0.18 C ATOM 151 CD1 TRP A 10 -11.278 2.211 -0.038 1.00 -0.30 C ATOM 152 CD2 TRP A 10 -11.583 4.385 0.432 1.00 0.00 C ATOM 153 NE1 TRP A 10 -10.053 2.840 0.013 1.00 0.03 N ATOM 154 CE2 TRP A 10 -10.185 4.189 0.237 1.00 -0.15 C ATOM 155 CE3 TRP A 10 -11.995 5.683 0.815 1.00 -0.15 C ATOM 156 CZ2 TRP A 10 -9.249 5.223 0.356 1.00 -0.15 C ATOM 157 CZ3 TRP A 10 -11.059 6.723 0.983 1.00 -0.15 C ATOM 158 CH2 TRP A 10 -9.693 6.497 0.742 1.00 -0.15 C ATOM 0 H TRP A 10 -12.701 1.190 1.720 1.00 -0.73 H new ATOM 0 HA TRP A 10 -14.371 3.376 2.155 1.00 0.36 H new ATOM 0 HB2 TRP A 10 -13.905 1.963 -0.487 1.00 0.18 H new ATOM 0 HB3 TRP A 10 -14.260 3.660 -0.235 1.00 0.18 H new ATOM 0 HD1 TRP A 10 -11.429 1.158 -0.227 1.00 -0.30 H new ATOM 0 HE1 TRP A 10 -9.159 2.363 -0.101 1.00 0.03 H new ATOM 0 HE3 TRP A 10 -13.044 5.880 0.981 1.00 -0.15 H new ATOM 0 HZ2 TRP A 10 -8.203 5.043 0.154 1.00 -0.15 H new ATOM 0 HZ3 TRP A 10 -11.394 7.700 1.299 1.00 -0.15 H new ATOM 0 HH2 TRP A 10 -8.984 7.304 0.854 1.00 -0.15 H new ATOM 169 N THR A 11 -16.749 2.921 1.397 1.00 -0.73 N ATOM 170 CA THR A 11 -18.171 2.623 1.271 1.00 0.36 C ATOM 171 C THR A 11 -18.559 2.334 -0.187 1.00 0.57 C ATOM 172 O THR A 11 -19.497 1.576 -0.419 1.00 -0.57 O ATOM 173 CB THR A 11 -18.994 3.786 1.858 1.00 0.28 C ATOM 174 OG1 THR A 11 -18.611 5.013 1.276 1.00 -0.68 O ATOM 175 CG2 THR A 11 -18.789 3.944 3.370 1.00 0.00 C ATOM 0 H THR A 11 -16.549 3.915 1.505 1.00 -0.73 H new ATOM 0 HA THR A 11 -18.392 1.718 1.837 1.00 0.36 H new ATOM 0 HB THR A 11 -20.035 3.544 1.645 1.00 0.28 H new ATOM 0 HG1 THR A 11 -19.146 5.739 1.660 1.00 -0.68 H new ATOM 0 HG21 THR A 11 -19.391 4.777 3.734 1.00 0.00 H new ATOM 0 HG22 THR A 11 -19.094 3.028 3.876 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.737 4.140 3.576 1.00 0.00 H new ATOM 183 N SER A 12 -17.846 2.903 -1.170 1.00 -0.73 N ATOM 184 CA SER A 12 -17.968 2.538 -2.576 1.00 0.36 C ATOM 185 C SER A 12 -17.085 1.318 -2.878 1.00 0.57 C ATOM 186 O SER A 12 -15.962 1.213 -2.379 1.00 -0.57 O ATOM 187 CB SER A 12 -17.561 3.744 -3.434 1.00 0.28 C ATOM 188 OG SER A 12 -17.510 3.402 -4.806 1.00 -0.68 O ATOM 0 H SER A 12 -17.161 3.639 -1.001 1.00 -0.73 H new ATOM 0 HA SER A 12 -18.998 2.268 -2.809 1.00 0.36 H new ATOM 0 HB2 SER A 12 -18.273 4.556 -3.285 1.00 0.28 H new ATOM 0 HB3 SER A 12 -16.587 4.111 -3.111 1.00 0.28 H new ATOM 0 HG SER A 12 -16.766 3.876 -5.234 1.00 -0.68 H new ATOM 194 N LYS A 13 -17.560 0.434 -3.768 1.00 -0.73 N ATOM 195 CA LYS A 13 -16.776 -0.680 -4.322 1.00 0.36 C ATOM 196 C LYS A 13 -15.871 -0.224 -5.478 1.00 0.57 C ATOM 197 O LYS A 13 -15.055 -1.015 -5.953 1.00 -0.57 O ATOM 198 CB LYS A 13 -17.707 -1.790 -4.845 1.00 0.00 C ATOM 199 CG LYS A 13 -18.724 -2.342 -3.828 1.00 0.00 C ATOM 200 CD LYS A 13 -18.408 -3.771 -3.369 1.00 0.00 C ATOM 201 CE LYS A 13 -19.578 -4.278 -2.519 1.00 0.50 C ATOM 202 NZ LYS A 13 -19.484 -5.728 -2.240 1.00 -0.85 N ATOM 0 H LYS A 13 -18.513 0.473 -4.128 1.00 -0.73 H new ATOM 0 HA LYS A 13 -16.153 -1.058 -3.511 1.00 0.36 H new ATOM 0 HB2 LYS A 13 -18.254 -1.405 -5.706 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -17.092 -2.616 -5.202 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -18.750 -1.686 -2.958 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -19.719 -2.322 -4.272 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -18.256 -4.421 -4.231 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -17.484 -3.788 -2.791 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -19.604 -3.730 -1.577 1.00 0.50 H new ATOM 0 HE3 LYS A 13 -20.516 -4.070 -3.035 1.00 0.50 H new ATOM 0 HZ1 LYS A 13 -20.297 -6.024 -1.663 1.00 -0.85 H new ATOM 0 HZ2 LYS A 13 -19.486 -6.255 -3.137 1.00 -0.85 H new ATOM 0 HZ3 LYS A 13 -18.603 -5.926 -1.724 1.00 -0.85 H new ATOM 216 N VAL A 14 -16.039 1.021 -5.935 1.00 -0.73 N ATOM 217 CA VAL A 14 -15.227 1.668 -6.952 1.00 0.36 C ATOM 218 C VAL A 14 -14.519 2.803 -6.225 1.00 0.57 C ATOM 219 O VAL A 14 -15.185 3.671 -5.656 1.00 -0.57 O ATOM 220 CB VAL A 14 -16.087 2.154 -8.143 1.00 0.00 C ATOM 221 CG1 VAL A 14 -15.211 2.790 -9.236 1.00 0.00 C ATOM 222 CG2 VAL A 14 -16.877 0.993 -8.775 1.00 0.00 C ATOM 0 H VAL A 14 -16.781 1.627 -5.585 1.00 -0.73 H new ATOM 0 HA VAL A 14 -14.506 0.986 -7.404 1.00 0.36 H new ATOM 0 HB VAL A 14 -16.780 2.895 -7.745 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -15.842 3.122 -10.060 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -14.675 3.644 -8.822 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -14.494 2.055 -9.601 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -17.471 1.368 -9.609 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -16.183 0.235 -9.136 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -17.538 0.553 -8.028 1.00 0.00 H new ATOM 232 N VAL A 15 -13.188 2.778 -6.209 1.00 -0.73 N ATOM 233 CA VAL A 15 -12.371 3.733 -5.464 1.00 0.36 C ATOM 234 C VAL A 15 -11.447 4.419 -6.473 1.00 0.57 C ATOM 235 O VAL A 15 -10.993 3.789 -7.434 1.00 -0.57 O ATOM 236 CB VAL A 15 -11.612 2.986 -4.345 1.00 0.00 C ATOM 237 CG1 VAL A 15 -10.704 3.904 -3.519 1.00 0.00 C ATOM 238 CG2 VAL A 15 -12.574 2.320 -3.346 1.00 0.00 C ATOM 0 H VAL A 15 -12.640 2.085 -6.719 1.00 -0.73 H new ATOM 0 HA VAL A 15 -12.967 4.500 -4.969 1.00 0.36 H new ATOM 0 HB VAL A 15 -11.014 2.245 -4.874 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.199 3.320 -2.750 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.962 4.364 -4.171 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.305 4.682 -3.048 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -12.000 1.806 -2.576 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -13.202 3.081 -2.883 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.203 1.601 -3.871 1.00 0.00 H new ATOM 248 N THR A 16 -11.189 5.714 -6.292 1.00 -0.73 N ATOM 249 CA THR A 16 -10.407 6.477 -7.253 1.00 0.36 C ATOM 250 C THR A 16 -8.938 6.559 -6.825 1.00 0.57 C ATOM 251 O THR A 16 -8.639 6.555 -5.629 1.00 -0.57 O ATOM 252 CB THR A 16 -11.049 7.849 -7.517 1.00 0.28 C ATOM 253 OG1 THR A 16 -11.132 8.651 -6.358 1.00 -0.68 O ATOM 254 CG2 THR A 16 -12.461 7.693 -8.101 1.00 0.00 C ATOM 0 H THR A 16 -11.512 6.253 -5.488 1.00 -0.73 H new ATOM 0 HA THR A 16 -10.412 5.953 -8.209 1.00 0.36 H new ATOM 0 HB THR A 16 -10.394 8.346 -8.232 1.00 0.28 H new ATOM 0 HG1 THR A 16 -11.546 9.510 -6.584 1.00 -0.68 H new ATOM 0 HG21 THR A 16 -12.892 8.678 -8.278 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.407 7.146 -9.042 1.00 0.00 H new ATOM 0 HG23 THR A 16 -13.087 7.144 -7.398 1.00 0.00 H new ATOM 262 N TYR A 17 -8.012 6.706 -7.783 1.00 -0.73 N ATOM 263 CA TYR A 17 -6.598 6.965 -7.515 1.00 0.36 C ATOM 264 C TYR A 17 -6.086 8.180 -8.300 1.00 0.57 C ATOM 265 O TYR A 17 -6.632 8.516 -9.353 1.00 -0.57 O ATOM 266 CB TYR A 17 -5.752 5.706 -7.788 1.00 0.14 C ATOM 267 CG TYR A 17 -5.653 5.258 -9.241 1.00 -0.14 C ATOM 268 CD1 TYR A 17 -4.630 5.762 -10.070 1.00 -0.15 C ATOM 269 CD2 TYR A 17 -6.544 4.294 -9.751 1.00 -0.15 C ATOM 270 CE1 TYR A 17 -4.496 5.307 -11.396 1.00 -0.15 C ATOM 271 CE2 TYR A 17 -6.434 3.851 -11.083 1.00 -0.15 C ATOM 272 CZ TYR A 17 -5.398 4.347 -11.910 1.00 0.08 C ATOM 273 OH TYR A 17 -5.255 3.885 -13.188 1.00 -0.53 O ATOM 0 H TYR A 17 -8.231 6.647 -8.777 1.00 -0.73 H new ATOM 0 HA TYR A 17 -6.496 7.210 -6.458 1.00 0.36 H new ATOM 0 HB2 TYR A 17 -4.743 5.885 -7.416 1.00 0.14 H new ATOM 0 HB3 TYR A 17 -6.165 4.883 -7.204 1.00 0.14 H new ATOM 0 HD1 TYR A 17 -3.944 6.502 -9.685 1.00 -0.15 H new ATOM 0 HD2 TYR A 17 -7.318 3.891 -9.115 1.00 -0.15 H new ATOM 0 HE1 TYR A 17 -3.704 5.692 -12.021 1.00 -0.15 H new ATOM 0 HE2 TYR A 17 -7.140 3.133 -11.474 1.00 -0.15 H new ATOM 0 HH TYR A 17 -5.958 3.230 -13.380 1.00 -0.53 H new ATOM 283 N ARG A 18 -5.024 8.843 -7.806 1.00 -0.73 N ATOM 284 CA ARG A 18 -4.338 9.926 -8.532 1.00 0.36 C ATOM 285 C ARG A 18 -2.881 9.997 -8.086 1.00 0.57 C ATOM 286 O ARG A 18 -2.579 10.319 -6.940 1.00 -0.57 O ATOM 287 CB ARG A 18 -5.050 11.290 -8.358 1.00 0.00 C ATOM 288 CG ARG A 18 -5.349 11.996 -9.696 1.00 0.00 C ATOM 289 CD ARG A 18 -4.140 12.649 -10.394 1.00 0.33 C ATOM 290 NE ARG A 18 -3.810 13.975 -9.834 1.00 -0.84 N ATOM 291 CZ ARG A 18 -3.007 14.898 -10.400 1.00 1.20 C ATOM 292 NH1 ARG A 18 -2.402 14.666 -11.568 1.00 -0.97 N ATOM 293 NH2 ARG A 18 -2.798 16.070 -9.788 1.00 -0.97 N ATOM 0 H ARG A 18 -4.618 8.642 -6.892 1.00 -0.73 H new ATOM 0 HA ARG A 18 -4.373 9.698 -9.597 1.00 0.36 H new ATOM 0 HB2 ARG A 18 -5.985 11.138 -7.818 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.429 11.941 -7.743 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.790 11.269 -10.378 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.102 12.765 -9.520 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.274 11.994 -10.301 1.00 0.33 H new ATOM 0 HD3 ARG A 18 -4.351 12.750 -11.459 1.00 0.33 H new ATOM 0 HE ARG A 18 -4.229 14.215 -8.935 1.00 -0.84 H new ATOM 0 HH11 ARG A 18 -2.544 13.777 -12.048 1.00 -0.97 H new ATOM 0 HH12 ARG A 18 -1.798 15.377 -11.980 1.00 -0.97 H new ATOM 0 HH21 ARG A 18 -3.246 16.265 -8.893 1.00 -0.97 H new ATOM 0 HH22 ARG A 18 -2.190 16.768 -10.217 1.00 -0.97 H new ATOM 307 N ILE A 19 -1.966 9.695 -9.003 1.00 -0.73 N ATOM 308 CA ILE A 19 -0.539 9.711 -8.736 1.00 0.36 C ATOM 309 C ILE A 19 -0.075 11.171 -8.953 1.00 0.57 C ATOM 310 O ILE A 19 0.247 11.558 -10.074 1.00 -0.57 O ATOM 311 CB ILE A 19 0.163 8.612 -9.581 1.00 0.00 C ATOM 312 CG1 ILE A 19 -0.453 7.197 -9.393 1.00 0.00 C ATOM 313 CG2 ILE A 19 1.639 8.543 -9.166 1.00 0.00 C ATOM 314 CD1 ILE A 19 -0.122 6.213 -10.527 1.00 0.00 C ATOM 0 H ILE A 19 -2.201 9.430 -9.960 1.00 -0.73 H new ATOM 0 HA ILE A 19 -0.267 9.446 -7.714 1.00 0.36 H new ATOM 0 HB ILE A 19 0.036 8.889 -10.627 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.099 6.781 -8.450 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.536 7.292 -9.313 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.146 7.775 -9.751 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.113 9.508 -9.346 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.708 8.297 -8.106 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.588 5.250 -10.321 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.501 6.605 -11.471 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.958 6.086 -10.595 1.00 0.00 H new ATOM 326 N VAL A 20 -0.181 12.020 -7.913 1.00 -0.73 N ATOM 327 CA VAL A 20 -0.012 13.492 -7.987 1.00 0.36 C ATOM 328 C VAL A 20 1.425 13.937 -8.289 1.00 0.57 C ATOM 329 O VAL A 20 1.632 14.994 -8.891 1.00 -0.57 O ATOM 330 CB VAL A 20 -0.450 14.182 -6.671 1.00 0.00 C ATOM 331 CG1 VAL A 20 -1.976 14.222 -6.537 1.00 0.00 C ATOM 332 CG2 VAL A 20 0.185 13.573 -5.409 1.00 0.00 C ATOM 0 H VAL A 20 -0.393 11.696 -6.969 1.00 -0.73 H new ATOM 0 HA VAL A 20 -0.650 13.795 -8.817 1.00 0.36 H new ATOM 0 HB VAL A 20 -0.074 15.203 -6.744 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.246 14.713 -5.602 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.400 14.776 -7.374 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.368 13.205 -6.539 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.170 14.109 -4.528 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.095 12.522 -5.332 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.270 13.656 -5.472 1.00 0.00 H new ATOM 342 N SER A 21 2.375 13.114 -7.842 1.00 -0.73 N ATOM 343 CA SER A 21 3.824 13.196 -7.939 1.00 0.36 C ATOM 344 C SER A 21 4.223 11.759 -8.308 1.00 0.57 C ATOM 345 O SER A 21 3.444 10.836 -8.061 1.00 -0.57 O ATOM 346 CB SER A 21 4.414 13.675 -6.587 1.00 0.28 C ATOM 347 OG SER A 21 5.756 13.256 -6.379 1.00 -0.68 O ATOM 0 H SER A 21 2.105 12.268 -7.340 1.00 -0.73 H new ATOM 0 HA SER A 21 4.197 13.912 -8.671 1.00 0.36 H new ATOM 0 HB2 SER A 21 4.370 14.763 -6.545 1.00 0.28 H new ATOM 0 HB3 SER A 21 3.793 13.299 -5.774 1.00 0.28 H new ATOM 0 HG SER A 21 6.042 13.511 -5.477 1.00 -0.68 H new ATOM 353 N TYR A 22 5.419 11.553 -8.860 1.00 -0.73 N ATOM 354 CA TYR A 22 5.923 10.250 -9.290 1.00 0.36 C ATOM 355 C TYR A 22 7.378 10.118 -8.825 1.00 0.57 C ATOM 356 O TYR A 22 8.011 11.113 -8.476 1.00 -0.57 O ATOM 357 CB TYR A 22 5.824 10.111 -10.819 1.00 0.14 C ATOM 358 CG TYR A 22 4.502 9.595 -11.366 1.00 -0.14 C ATOM 359 CD1 TYR A 22 4.303 8.208 -11.534 1.00 -0.15 C ATOM 360 CD2 TYR A 22 3.496 10.492 -11.774 1.00 -0.15 C ATOM 361 CE1 TYR A 22 3.123 7.721 -12.130 1.00 -0.15 C ATOM 362 CE2 TYR A 22 2.315 10.014 -12.372 1.00 -0.15 C ATOM 363 CZ TYR A 22 2.125 8.626 -12.564 1.00 0.08 C ATOM 364 OH TYR A 22 0.980 8.172 -13.151 1.00 -0.53 O ATOM 0 H TYR A 22 6.082 12.310 -9.025 1.00 -0.73 H new ATOM 0 HA TYR A 22 5.322 9.455 -8.849 1.00 0.36 H new ATOM 0 HB2 TYR A 22 6.021 11.086 -11.264 1.00 0.14 H new ATOM 0 HB3 TYR A 22 6.617 9.442 -11.153 1.00 0.14 H new ATOM 0 HD1 TYR A 22 5.062 7.514 -11.203 1.00 -0.15 H new ATOM 0 HD2 TYR A 22 3.632 11.553 -11.627 1.00 -0.15 H new ATOM 0 HE1 TYR A 22 2.980 6.658 -12.256 1.00 -0.15 H new ATOM 0 HE2 TYR A 22 1.551 10.710 -12.685 1.00 -0.15 H new ATOM 0 HH TYR A 22 0.408 8.933 -13.384 1.00 -0.53 H new ATOM 374 N THR A 23 7.898 8.886 -8.832 1.00 -0.73 N ATOM 375 CA THR A 23 9.310 8.595 -8.593 1.00 0.36 C ATOM 376 C THR A 23 10.178 8.983 -9.807 1.00 0.57 C ATOM 377 O THR A 23 9.675 9.496 -10.816 1.00 -0.57 O ATOM 378 CB THR A 23 9.449 7.105 -8.208 1.00 0.28 C ATOM 379 OG1 THR A 23 10.704 6.851 -7.608 1.00 -0.68 O ATOM 380 CG2 THR A 23 9.297 6.165 -9.410 1.00 0.00 C ATOM 0 H THR A 23 7.338 8.052 -9.007 1.00 -0.73 H new ATOM 0 HA THR A 23 9.680 9.201 -7.765 1.00 0.36 H new ATOM 0 HB THR A 23 8.641 6.906 -7.504 1.00 0.28 H new ATOM 0 HG1 THR A 23 10.575 6.334 -6.785 1.00 -0.68 H new ATOM 0 HG21 THR A 23 9.404 5.132 -9.080 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.313 6.303 -9.858 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.066 6.391 -10.148 1.00 0.00 H new ATOM 388 N ARG A 24 11.475 8.660 -9.725 1.00 -0.73 N ATOM 389 CA ARG A 24 12.480 8.995 -10.731 1.00 0.36 C ATOM 390 C ARG A 24 13.253 7.782 -11.235 1.00 0.57 C ATOM 391 O ARG A 24 13.447 7.659 -12.442 1.00 -0.57 O ATOM 392 CB ARG A 24 13.467 10.013 -10.134 1.00 0.00 C ATOM 393 CG ARG A 24 13.697 11.183 -11.084 1.00 0.00 C ATOM 394 CD ARG A 24 12.478 12.119 -11.112 1.00 0.33 C ATOM 395 NE ARG A 24 12.767 13.334 -11.879 1.00 -0.84 N ATOM 396 CZ ARG A 24 13.648 14.276 -11.515 1.00 1.20 C ATOM 397 NH1 ARG A 24 14.149 14.275 -10.278 1.00 -0.97 N ATOM 398 NH2 ARG A 24 14.026 15.203 -12.388 1.00 -0.97 N ATOM 0 H ARG A 24 11.860 8.144 -8.934 1.00 -0.73 H new ATOM 0 HA ARG A 24 11.951 9.412 -11.588 1.00 0.36 H new ATOM 0 HB2 ARG A 24 13.081 10.383 -9.184 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.417 9.521 -9.922 1.00 0.00 H new ATOM 0 HG2 ARG A 24 14.581 11.740 -10.773 1.00 0.00 H new ATOM 0 HG3 ARG A 24 13.894 10.807 -12.088 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.627 11.600 -11.553 1.00 0.33 H new ATOM 0 HD3 ARG A 24 12.196 12.386 -10.093 1.00 0.33 H new ATOM 0 HE ARG A 24 12.261 13.473 -12.754 1.00 -0.84 H new ATOM 0 HH11 ARG A 24 13.861 13.558 -9.612 1.00 -0.97 H new ATOM 0 HH12 ARG A 24 14.820 14.991 -9.999 1.00 -0.97 H new ATOM 0 HH21 ARG A 24 13.646 15.197 -13.334 1.00 -0.97 H new ATOM 0 HH22 ARG A 24 14.696 15.920 -12.112 1.00 -0.97 H new ATOM 412 N ASP A 25 13.672 6.903 -10.317 1.00 -0.73 N ATOM 413 CA ASP A 25 14.440 5.692 -10.620 1.00 0.36 C ATOM 414 C ASP A 25 13.678 4.796 -11.610 1.00 0.57 C ATOM 415 O ASP A 25 14.290 4.139 -12.451 1.00 -0.57 O ATOM 416 CB ASP A 25 14.739 4.930 -9.306 1.00 0.06 C ATOM 417 CG ASP A 25 16.119 5.227 -8.695 1.00 0.66 C ATOM 418 OD1 ASP A 25 16.529 6.376 -8.718 1.00 -0.57 O ATOM 419 OD2 ASP A 25 16.745 4.217 -8.097 1.00 -0.65 O ATOM 0 H ASP A 25 13.482 7.017 -9.321 1.00 -0.73 H new ATOM 0 HA ASP A 25 15.382 5.976 -11.089 1.00 0.36 H new ATOM 0 HB2 ASP A 25 13.971 5.179 -8.574 1.00 0.06 H new ATOM 0 HB3 ASP A 25 14.663 3.859 -9.497 1.00 0.06 H new ATOM 425 N LEU A 26 12.338 4.804 -11.537 1.00 -0.73 N ATOM 426 CA LEU A 26 11.445 3.944 -12.310 1.00 0.36 C ATOM 427 C LEU A 26 10.467 4.816 -13.105 1.00 0.57 C ATOM 428 O LEU A 26 10.038 5.858 -12.602 1.00 -0.57 O ATOM 429 CB LEU A 26 10.657 3.010 -11.376 1.00 0.00 C ATOM 430 CG LEU A 26 11.512 2.195 -10.388 1.00 0.00 C ATOM 431 CD1 LEU A 26 10.575 1.446 -9.436 1.00 0.00 C ATOM 432 CD2 LEU A 26 12.470 1.234 -11.108 1.00 0.00 C ATOM 0 H LEU A 26 11.834 5.435 -10.914 1.00 -0.73 H new ATOM 0 HA LEU A 26 12.040 3.337 -12.992 1.00 0.36 H new ATOM 0 HB2 LEU A 26 9.945 3.608 -10.807 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.077 2.318 -11.986 1.00 0.00 H new ATOM 0 HG LEU A 26 12.145 2.876 -9.819 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.165 0.863 -8.729 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.960 2.163 -8.892 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.932 0.778 -10.009 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.052 0.681 -10.371 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.895 0.535 -11.716 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.143 1.804 -11.749 1.00 0.00 H new ATOM 444 N PRO A 27 10.099 4.424 -14.338 1.00 -0.66 N ATOM 445 CA PRO A 27 9.248 5.247 -15.180 1.00 0.36 C ATOM 446 C PRO A 27 7.784 5.206 -14.723 1.00 0.57 C ATOM 447 O PRO A 27 7.300 4.218 -14.169 1.00 -0.57 O ATOM 448 CB PRO A 27 9.441 4.716 -16.600 1.00 0.00 C ATOM 449 CG PRO A 27 9.887 3.267 -16.423 1.00 0.00 C ATOM 450 CD PRO A 27 10.502 3.204 -15.025 1.00 0.30 C ATOM 0 HA PRO A 27 9.519 6.301 -15.122 1.00 0.36 H new ATOM 0 HB2 PRO A 27 8.516 4.777 -17.173 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.189 5.296 -17.140 1.00 0.00 H new ATOM 0 HG2 PRO A 27 9.044 2.582 -16.513 1.00 0.00 H new ATOM 0 HG3 PRO A 27 10.612 2.982 -17.185 1.00 0.00 H new ATOM 0 HD2 PRO A 27 10.152 2.323 -14.487 1.00 0.30 H new ATOM 0 HD3 PRO A 27 11.588 3.132 -15.082 1.00 0.30 H new ATOM 458 N HIS A 28 7.065 6.296 -15.007 1.00 -0.73 N ATOM 459 CA HIS A 28 5.697 6.543 -14.551 1.00 0.36 C ATOM 460 C HIS A 28 4.711 5.497 -15.084 1.00 0.57 C ATOM 461 O HIS A 28 3.809 5.074 -14.360 1.00 -0.57 O ATOM 462 CB HIS A 28 5.277 7.956 -14.993 1.00 0.17 C ATOM 463 CG HIS A 28 6.339 9.016 -14.789 1.00 0.18 C ATOM 464 ND1 HIS A 28 7.265 9.081 -13.768 1.00 -0.70 N ATOM 465 CD2 HIS A 28 6.634 10.034 -15.657 1.00 0.20 C ATOM 466 CE1 HIS A 28 8.090 10.112 -14.018 1.00 0.65 C ATOM 467 NE2 HIS A 28 7.756 10.717 -15.170 1.00 -0.70 N ATOM 0 H HIS A 28 7.433 7.055 -15.580 1.00 -0.73 H new ATOM 0 HA HIS A 28 5.675 6.466 -13.464 1.00 0.36 H new ATOM 0 HB2 HIS A 28 5.007 7.928 -16.049 1.00 0.17 H new ATOM 0 HB3 HIS A 28 4.382 8.245 -14.442 1.00 0.17 H new ATOM 0 HD2 HIS A 28 6.094 10.270 -16.562 1.00 0.20 H new ATOM 0 HE1 HIS A 28 8.908 10.413 -13.381 1.00 0.65 H new ATOM 0 HE2 HIS A 28 8.225 11.513 -15.603 1.00 -0.70 H new ATOM 476 N ILE A 29 4.913 5.056 -16.334 1.00 -0.73 N ATOM 477 CA ILE A 29 4.136 3.984 -16.952 1.00 0.36 C ATOM 478 C ILE A 29 4.306 2.688 -16.149 1.00 0.57 C ATOM 479 O ILE A 29 3.318 2.010 -15.876 1.00 -0.57 O ATOM 480 CB ILE A 29 4.517 3.843 -18.450 1.00 0.00 C ATOM 481 CG1 ILE A 29 3.604 2.854 -19.213 1.00 0.00 C ATOM 482 CG2 ILE A 29 5.990 3.458 -18.682 1.00 0.00 C ATOM 483 CD1 ILE A 29 2.302 3.508 -19.685 1.00 0.00 C ATOM 0 H ILE A 29 5.631 5.442 -16.948 1.00 -0.73 H new ATOM 0 HA ILE A 29 3.073 4.226 -16.930 1.00 0.36 H new ATOM 0 HB ILE A 29 4.365 4.844 -18.853 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.142 2.458 -20.074 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.369 2.008 -18.567 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.181 3.378 -19.752 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.638 4.223 -18.254 1.00 0.00 H new ATOM 0 HG23 ILE A 29 6.195 2.500 -18.204 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.697 2.773 -20.215 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.749 3.880 -18.823 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.533 4.337 -20.354 1.00 0.00 H new ATOM 495 N THR A 30 5.533 2.372 -15.721 1.00 -0.73 N ATOM 496 CA THR A 30 5.809 1.206 -14.901 1.00 0.36 C ATOM 497 C THR A 30 5.245 1.409 -13.495 1.00 0.57 C ATOM 498 O THR A 30 4.675 0.459 -12.979 1.00 -0.57 O ATOM 499 CB THR A 30 7.311 0.890 -14.924 1.00 0.28 C ATOM 500 OG1 THR A 30 7.660 0.502 -16.239 1.00 -0.68 O ATOM 501 CG2 THR A 30 7.712 -0.255 -14.000 1.00 0.00 C ATOM 0 H THR A 30 6.361 2.926 -15.939 1.00 -0.73 H new ATOM 0 HA THR A 30 5.306 0.330 -15.309 1.00 0.36 H new ATOM 0 HB THR A 30 7.826 1.789 -14.585 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.618 0.297 -16.276 1.00 -0.68 H new ATOM 0 HG21 THR A 30 8.787 -0.420 -14.070 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.450 -0.002 -12.973 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.186 -1.163 -14.296 1.00 0.00 H new ATOM 509 N VAL A 31 5.317 2.609 -12.901 1.00 -0.73 N ATOM 510 CA VAL A 31 4.676 2.883 -11.611 1.00 0.36 C ATOM 511 C VAL A 31 3.161 2.651 -11.690 1.00 0.57 C ATOM 512 O VAL A 31 2.604 1.993 -10.814 1.00 -0.57 O ATOM 513 CB VAL A 31 5.060 4.278 -11.080 1.00 0.00 C ATOM 514 CG1 VAL A 31 4.139 4.782 -9.955 1.00 0.00 C ATOM 515 CG2 VAL A 31 6.498 4.219 -10.546 1.00 0.00 C ATOM 0 H VAL A 31 5.815 3.406 -13.297 1.00 -0.73 H new ATOM 0 HA VAL A 31 5.053 2.172 -10.876 1.00 0.36 H new ATOM 0 HB VAL A 31 4.959 4.975 -11.912 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.468 5.769 -9.630 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.115 4.844 -10.323 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.180 4.090 -9.114 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.786 5.199 -10.166 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.558 3.486 -9.741 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.173 3.929 -11.351 1.00 0.00 H new ATOM 525 N ASP A 32 2.485 3.141 -12.735 1.00 -0.73 N ATOM 526 CA ASP A 32 1.045 2.917 -12.893 1.00 0.36 C ATOM 527 C ASP A 32 0.753 1.438 -13.202 1.00 0.57 C ATOM 528 O ASP A 32 -0.153 0.856 -12.605 1.00 -0.57 O ATOM 529 CB ASP A 32 0.492 3.869 -13.965 1.00 0.06 C ATOM 530 CG ASP A 32 -1.041 3.873 -14.035 1.00 0.66 C ATOM 531 OD1 ASP A 32 -1.582 3.026 -14.727 1.00 -0.57 O ATOM 532 OD2 ASP A 32 -1.687 4.855 -13.413 1.00 -0.65 O ATOM 0 H ASP A 32 2.910 3.693 -13.480 1.00 -0.73 H new ATOM 0 HA ASP A 32 0.533 3.140 -11.957 1.00 0.36 H new ATOM 0 HB2 ASP A 32 0.843 4.880 -13.760 1.00 0.06 H new ATOM 0 HB3 ASP A 32 0.893 3.584 -14.937 1.00 0.06 H new ATOM 538 N ARG A 33 1.555 0.777 -14.054 1.00 -0.73 N ATOM 539 CA ARG A 33 1.363 -0.643 -14.372 1.00 0.36 C ATOM 540 C ARG A 33 1.620 -1.551 -13.177 1.00 0.57 C ATOM 541 O ARG A 33 0.867 -2.512 -12.981 1.00 -0.57 O ATOM 542 CB ARG A 33 2.265 -1.085 -15.544 1.00 0.00 C ATOM 543 CG ARG A 33 1.636 -0.860 -16.928 1.00 0.00 C ATOM 544 CD ARG A 33 0.328 -1.660 -17.087 1.00 0.33 C ATOM 545 NE ARG A 33 0.332 -2.556 -18.259 1.00 -0.84 N ATOM 546 CZ ARG A 33 -0.196 -3.792 -18.290 1.00 1.20 C ATOM 547 NH1 ARG A 33 -0.921 -4.272 -17.277 1.00 -0.97 N ATOM 548 NH2 ARG A 33 0.031 -4.578 -19.340 1.00 -0.97 N ATOM 0 H ARG A 33 2.345 1.208 -14.535 1.00 -0.73 H new ATOM 0 HA ARG A 33 0.316 -0.743 -14.659 1.00 0.36 H new ATOM 0 HB2 ARG A 33 3.208 -0.540 -15.490 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.501 -2.143 -15.430 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.435 0.202 -17.070 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.342 -1.157 -17.703 1.00 0.00 H new ATOM 0 HD2 ARG A 33 0.160 -2.251 -16.187 1.00 0.33 H new ATOM 0 HD3 ARG A 33 -0.507 -0.965 -17.172 1.00 0.33 H new ATOM 0 HE ARG A 33 0.770 -2.211 -19.113 1.00 -0.84 H new ATOM 0 HH11 ARG A 33 -1.087 -3.697 -16.451 1.00 -0.97 H new ATOM 0 HH12 ARG A 33 -1.309 -5.214 -17.329 1.00 -0.97 H new ATOM 0 HH21 ARG A 33 0.603 -4.241 -20.115 1.00 -0.97 H new ATOM 0 HH22 ARG A 33 -0.367 -5.517 -19.370 1.00 -0.97 H new ATOM 562 N LEU A 34 2.673 -1.281 -12.403 1.00 -0.73 N ATOM 563 CA LEU A 34 2.970 -2.027 -11.197 1.00 0.36 C ATOM 564 C LEU A 34 1.842 -1.792 -10.186 1.00 0.57 C ATOM 565 O LEU A 34 1.397 -2.750 -9.559 1.00 -0.57 O ATOM 566 CB LEU A 34 4.418 -1.788 -10.711 1.00 0.00 C ATOM 567 CG LEU A 34 4.717 -0.497 -9.927 1.00 0.00 C ATOM 568 CD1 LEU A 34 4.177 -0.375 -8.495 1.00 0.00 C ATOM 569 CD2 LEU A 34 6.232 -0.243 -9.853 1.00 0.00 C ATOM 0 H LEU A 34 3.340 -0.536 -12.603 1.00 -0.73 H new ATOM 0 HA LEU A 34 2.976 -3.101 -11.382 1.00 0.36 H new ATOM 0 HB2 LEU A 34 4.703 -2.633 -10.083 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.070 -1.806 -11.584 1.00 0.00 H new ATOM 0 HG LEU A 34 4.171 0.242 -10.514 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.470 0.588 -8.077 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.090 -0.449 -8.509 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.588 -1.177 -7.882 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.420 0.674 -9.295 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.717 -1.080 -9.350 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.634 -0.143 -10.861 1.00 0.00 H new ATOM 581 N VAL A 35 1.308 -0.564 -10.073 1.00 -0.73 N ATOM 582 CA VAL A 35 0.148 -0.303 -9.223 1.00 0.36 C ATOM 583 C VAL A 35 -1.064 -1.088 -9.720 1.00 0.57 C ATOM 584 O VAL A 35 -1.728 -1.717 -8.900 1.00 -0.57 O ATOM 585 CB VAL A 35 -0.091 1.219 -9.067 1.00 0.00 C ATOM 586 CG1 VAL A 35 -1.560 1.668 -9.035 1.00 0.00 C ATOM 587 CG2 VAL A 35 0.602 1.677 -7.774 1.00 0.00 C ATOM 0 H VAL A 35 1.665 0.258 -10.561 1.00 -0.73 H new ATOM 0 HA VAL A 35 0.341 -0.666 -8.214 1.00 0.36 H new ATOM 0 HB VAL A 35 0.322 1.681 -9.964 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.607 2.751 -8.923 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.049 1.378 -9.965 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.067 1.194 -8.195 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.449 2.748 -7.639 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.179 1.140 -6.925 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.670 1.468 -7.840 1.00 0.00 H new ATOM 597 N SER A 36 -1.328 -1.131 -11.031 1.00 -0.73 N ATOM 598 CA SER A 36 -2.419 -1.930 -11.567 1.00 0.36 C ATOM 599 C SER A 36 -2.260 -3.411 -11.223 1.00 0.57 C ATOM 600 O SER A 36 -3.213 -3.984 -10.699 1.00 -0.57 O ATOM 601 CB SER A 36 -2.585 -1.686 -13.068 1.00 0.28 C ATOM 602 OG SER A 36 -3.407 -0.549 -13.237 1.00 -0.68 O ATOM 0 H SER A 36 -0.797 -0.619 -11.735 1.00 -0.73 H new ATOM 0 HA SER A 36 -3.343 -1.608 -11.087 1.00 0.36 H new ATOM 0 HB2 SER A 36 -1.614 -1.528 -13.538 1.00 0.28 H new ATOM 0 HB3 SER A 36 -3.034 -2.556 -13.548 1.00 0.28 H new ATOM 0 HG SER A 36 -3.527 -0.371 -14.193 1.00 -0.68 H new ATOM 608 N LYS A 37 -1.089 -4.039 -11.428 1.00 -0.73 N ATOM 609 CA LYS A 37 -0.932 -5.449 -11.039 1.00 0.36 C ATOM 610 C LYS A 37 -0.971 -5.638 -9.513 1.00 0.57 C ATOM 611 O LYS A 37 -1.524 -6.641 -9.074 1.00 -0.57 O ATOM 612 CB LYS A 37 0.286 -6.126 -11.703 1.00 0.00 C ATOM 613 CG LYS A 37 1.620 -5.562 -11.214 1.00 0.00 C ATOM 614 CD LYS A 37 2.883 -6.058 -11.933 1.00 0.00 C ATOM 615 CE LYS A 37 3.002 -5.588 -13.394 1.00 0.50 C ATOM 616 NZ LYS A 37 2.798 -6.693 -14.359 1.00 -0.85 N ATOM 0 H LYS A 37 -0.264 -3.610 -11.846 1.00 -0.73 H new ATOM 0 HA LYS A 37 -1.802 -5.975 -11.433 1.00 0.36 H new ATOM 0 HB2 LYS A 37 0.254 -7.197 -11.502 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.219 -6.003 -12.784 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.583 -4.476 -11.301 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.719 -5.793 -10.153 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.759 -5.718 -11.381 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.896 -7.148 -11.911 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.268 -4.804 -13.582 1.00 0.50 H new ATOM 0 HE3 LYS A 37 3.986 -5.147 -13.552 1.00 0.50 H new ATOM 0 HZ1 LYS A 37 2.888 -6.328 -15.329 1.00 -0.85 H new ATOM 0 HZ2 LYS A 37 3.514 -7.430 -14.199 1.00 -0.85 H new ATOM 0 HZ3 LYS A 37 1.849 -7.098 -14.228 1.00 -0.85 H new ATOM 630 N ALA A 38 -0.457 -4.698 -8.705 1.00 -0.73 N ATOM 631 CA ALA A 38 -0.502 -4.790 -7.244 1.00 0.36 C ATOM 632 C ALA A 38 -1.925 -4.625 -6.697 1.00 0.57 C ATOM 633 O ALA A 38 -2.323 -5.353 -5.789 1.00 -0.57 O ATOM 634 CB ALA A 38 0.421 -3.739 -6.625 1.00 0.00 C ATOM 0 H ALA A 38 0.001 -3.854 -9.050 1.00 -0.73 H new ATOM 0 HA ALA A 38 -0.160 -5.788 -6.969 1.00 0.36 H new ATOM 0 HB1 ALA A 38 0.381 -3.815 -5.538 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.443 -3.908 -6.963 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.097 -2.744 -6.932 1.00 0.00 H new ATOM 640 N LEU A 39 -2.710 -3.698 -7.254 1.00 -0.73 N ATOM 641 CA LEU A 39 -4.113 -3.530 -6.891 1.00 0.36 C ATOM 642 C LEU A 39 -4.961 -4.668 -7.454 1.00 0.57 C ATOM 643 O LEU A 39 -5.916 -5.069 -6.796 1.00 -0.57 O ATOM 644 CB LEU A 39 -4.653 -2.176 -7.371 1.00 0.00 C ATOM 645 CG LEU A 39 -4.201 -0.971 -6.523 1.00 0.00 C ATOM 646 CD1 LEU A 39 -4.725 0.322 -7.158 1.00 0.00 C ATOM 647 CD2 LEU A 39 -4.705 -1.045 -5.071 1.00 0.00 C ATOM 0 H LEU A 39 -2.387 -3.045 -7.968 1.00 -0.73 H new ATOM 0 HA LEU A 39 -4.177 -3.555 -5.803 1.00 0.36 H new ATOM 0 HB2 LEU A 39 -4.337 -2.018 -8.402 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.742 -2.214 -7.374 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.111 -0.986 -6.499 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.407 1.176 -6.560 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.328 0.418 -8.168 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.814 0.293 -7.198 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.357 -0.171 -4.520 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.795 -1.068 -5.065 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.321 -1.949 -4.598 1.00 0.00 H new ATOM 659 N ASN A 40 -4.611 -5.227 -8.619 1.00 -0.73 N ATOM 660 CA ASN A 40 -5.213 -6.468 -9.101 1.00 0.36 C ATOM 661 C ASN A 40 -4.929 -7.588 -8.100 1.00 0.57 C ATOM 662 O ASN A 40 -5.854 -8.263 -7.671 1.00 -0.57 O ATOM 663 CB ASN A 40 -4.687 -6.823 -10.500 1.00 0.06 C ATOM 664 CG ASN A 40 -5.536 -7.863 -11.225 1.00 0.57 C ATOM 665 OD1 ASN A 40 -6.367 -8.555 -10.653 1.00 -0.57 O ATOM 666 ND2 ASN A 40 -5.362 -7.962 -12.536 1.00 -0.80 N ATOM 0 H ASN A 40 -3.909 -4.834 -9.246 1.00 -0.73 H new ATOM 0 HA ASN A 40 -6.292 -6.337 -9.186 1.00 0.36 H new ATOM 0 HB2 ASN A 40 -4.644 -5.916 -11.104 1.00 0.06 H new ATOM 0 HB3 ASN A 40 -3.667 -7.196 -10.412 1.00 0.06 H new ATOM 0 HD21 ASN A 40 -5.924 -8.620 -13.077 1.00 -0.80 H new ATOM 0 HD22 ASN A 40 -4.667 -7.381 -13.004 1.00 -0.80 H new ATOM 673 N MET A 41 -3.676 -7.722 -7.652 1.00 -0.73 N ATOM 674 CA MET A 41 -3.279 -8.629 -6.582 1.00 0.36 C ATOM 675 C MET A 41 -4.096 -8.413 -5.295 1.00 0.57 C ATOM 676 O MET A 41 -4.440 -9.410 -4.677 1.00 -0.57 O ATOM 677 CB MET A 41 -1.755 -8.530 -6.364 1.00 0.00 C ATOM 678 CG MET A 41 -0.980 -9.608 -7.134 1.00 0.23 C ATOM 679 SD MET A 41 0.774 -9.242 -7.456 1.00 -0.46 S ATOM 680 CE MET A 41 1.400 -8.850 -5.796 1.00 0.23 C ATOM 0 H MET A 41 -2.896 -7.188 -8.035 1.00 -0.73 H new ATOM 0 HA MET A 41 -3.508 -9.651 -6.883 1.00 0.36 H new ATOM 0 HB2 MET A 41 -1.410 -7.545 -6.678 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.537 -8.620 -5.300 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.040 -10.542 -6.575 1.00 0.23 H new ATOM 0 HG3 MET A 41 -1.478 -9.775 -8.089 1.00 0.23 H new ATOM 0 HE1 MET A 41 2.489 -8.888 -5.800 1.00 0.23 H new ATOM 0 HE2 MET A 41 1.072 -7.850 -5.510 1.00 0.23 H new ATOM 0 HE3 MET A 41 1.014 -9.576 -5.081 1.00 0.23 H new ATOM 690 N TRP A 42 -4.477 -7.184 -4.912 1.00 -0.73 N ATOM 691 CA TRP A 42 -5.412 -6.960 -3.794 1.00 0.36 C ATOM 692 C TRP A 42 -6.858 -7.349 -4.153 1.00 0.57 C ATOM 693 O TRP A 42 -7.548 -8.010 -3.374 1.00 -0.57 O ATOM 694 CB TRP A 42 -5.349 -5.493 -3.329 1.00 0.18 C ATOM 695 CG TRP A 42 -4.348 -5.208 -2.250 1.00 -0.18 C ATOM 696 CD1 TRP A 42 -3.055 -4.850 -2.425 1.00 -0.30 C ATOM 697 CD2 TRP A 42 -4.541 -5.283 -0.802 1.00 0.00 C ATOM 698 NE1 TRP A 42 -2.441 -4.711 -1.195 1.00 0.03 N ATOM 699 CE2 TRP A 42 -3.287 -5.048 -0.170 1.00 -0.15 C ATOM 700 CE3 TRP A 42 -5.638 -5.548 0.043 1.00 -0.15 C ATOM 701 CZ2 TRP A 42 -3.103 -5.159 1.211 1.00 -0.15 C ATOM 702 CZ3 TRP A 42 -5.477 -5.599 1.441 1.00 -0.15 C ATOM 703 CH2 TRP A 42 -4.212 -5.434 2.026 1.00 -0.15 C ATOM 0 H TRP A 42 -4.152 -6.327 -5.360 1.00 -0.73 H new ATOM 0 HA TRP A 42 -5.099 -7.610 -2.977 1.00 0.36 H new ATOM 0 HB2 TRP A 42 -5.120 -4.865 -4.190 1.00 0.18 H new ATOM 0 HB3 TRP A 42 -6.336 -5.199 -2.973 1.00 0.18 H new ATOM 0 HD1 TRP A 42 -2.576 -4.696 -3.381 1.00 -0.30 H new ATOM 0 HE1 TRP A 42 -1.479 -4.397 -1.066 1.00 0.03 H new ATOM 0 HE3 TRP A 42 -6.614 -5.714 -0.387 1.00 -0.15 H new ATOM 0 HZ2 TRP A 42 -2.122 -5.035 1.645 1.00 -0.15 H new ATOM 0 HZ3 TRP A 42 -6.338 -5.767 2.071 1.00 -0.15 H new ATOM 0 HH2 TRP A 42 -4.093 -5.518 3.096 1.00 -0.15 H new ATOM 714 N GLY A 43 -7.328 -6.962 -5.345 1.00 -0.73 N ATOM 715 CA GLY A 43 -8.661 -7.280 -5.842 1.00 0.36 C ATOM 716 C GLY A 43 -8.843 -8.767 -6.183 1.00 0.57 C ATOM 717 O GLY A 43 -9.951 -9.214 -6.468 1.00 -0.57 O ATOM 0 H GLY A 43 -6.777 -6.408 -6.000 1.00 -0.73 H new ATOM 0 HA2 GLY A 43 -9.399 -6.993 -5.093 1.00 0.36 H new ATOM 0 HA3 GLY A 43 -8.862 -6.683 -6.732 1.00 0.36 H new ATOM 721 N LYS A 44 -7.764 -9.557 -6.153 1.00 -0.73 N ATOM 722 CA LYS A 44 -7.784 -10.991 -6.424 1.00 0.36 C ATOM 723 C LYS A 44 -8.501 -11.771 -5.314 1.00 0.57 C ATOM 724 O LYS A 44 -8.845 -12.939 -5.522 1.00 -0.57 O ATOM 725 CB LYS A 44 -6.338 -11.492 -6.622 1.00 0.00 C ATOM 726 CG LYS A 44 -6.156 -12.417 -7.837 1.00 0.00 C ATOM 727 CD LYS A 44 -5.561 -13.793 -7.494 1.00 0.00 C ATOM 728 CE LYS A 44 -6.614 -14.750 -6.918 1.00 0.50 C ATOM 729 NZ LYS A 44 -6.489 -14.993 -5.462 1.00 -0.85 N ATOM 0 H LYS A 44 -6.832 -9.204 -5.934 1.00 -0.73 H new ATOM 0 HA LYS A 44 -8.350 -11.166 -7.339 1.00 0.36 H new ATOM 0 HB2 LYS A 44 -5.678 -10.631 -6.732 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.022 -12.023 -5.724 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.123 -12.561 -8.319 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.509 -11.924 -8.562 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.124 -14.232 -8.391 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.752 -13.669 -6.774 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.605 -14.346 -7.123 1.00 0.50 H new ATOM 0 HE3 LYS A 44 -6.545 -15.704 -7.441 1.00 0.50 H new ATOM 0 HZ1 LYS A 44 -7.426 -15.205 -5.064 1.00 -0.85 H new ATOM 0 HZ2 LYS A 44 -5.853 -15.799 -5.298 1.00 -0.85 H new ATOM 0 HZ3 LYS A 44 -6.100 -14.146 -5.001 1.00 -0.85 H new ATOM 743 N GLU A 45 -8.735 -11.143 -4.158 1.00 -0.73 N ATOM 744 CA GLU A 45 -9.433 -11.733 -3.025 1.00 0.36 C ATOM 745 C GLU A 45 -10.749 -10.981 -2.743 1.00 0.57 C ATOM 746 O GLU A 45 -11.709 -11.624 -2.305 1.00 -0.57 O ATOM 747 CB GLU A 45 -8.502 -11.754 -1.794 1.00 0.00 C ATOM 748 CG GLU A 45 -7.374 -12.822 -1.789 1.00 0.06 C ATOM 749 CD GLU A 45 -6.263 -12.661 -2.850 1.00 0.66 C ATOM 750 OE1 GLU A 45 -6.020 -11.534 -3.248 1.00 -0.57 O ATOM 751 OE2 GLU A 45 -5.622 -13.724 -3.328 1.00 -0.65 O ATOM 0 H GLU A 45 -8.434 -10.184 -3.985 1.00 -0.73 H new ATOM 0 HA GLU A 45 -9.701 -12.763 -3.262 1.00 0.36 H new ATOM 0 HB2 GLU A 45 -8.040 -10.771 -1.700 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.116 -11.904 -0.906 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.907 -12.819 -0.804 1.00 0.06 H new ATOM 0 HG3 GLU A 45 -7.832 -13.802 -1.922 1.00 0.06 H new ATOM 759 N ILE A 46 -10.840 -9.673 -3.051 1.00 -0.73 N ATOM 760 CA ILE A 46 -12.034 -8.846 -2.828 1.00 0.36 C ATOM 761 C ILE A 46 -12.502 -8.191 -4.137 1.00 0.57 C ATOM 762 O ILE A 46 -11.685 -7.575 -4.810 1.00 -0.57 O ATOM 763 CB ILE A 46 -11.791 -7.773 -1.737 1.00 0.00 C ATOM 764 CG1 ILE A 46 -10.505 -6.924 -1.912 1.00 0.00 C ATOM 765 CG2 ILE A 46 -11.772 -8.502 -0.394 1.00 0.00 C ATOM 766 CD1 ILE A 46 -10.497 -5.627 -1.089 1.00 0.00 C ATOM 0 H ILE A 46 -10.068 -9.154 -3.470 1.00 -0.73 H new ATOM 0 HA ILE A 46 -12.824 -9.507 -2.472 1.00 0.36 H new ATOM 0 HB ILE A 46 -12.596 -7.042 -1.810 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.642 -7.527 -1.629 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.387 -6.674 -2.966 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.603 -7.783 0.408 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.728 -9.002 -0.238 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.971 -9.242 -0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.565 -5.090 -1.266 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.338 -5.002 -1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.582 -5.868 -0.029 1.00 0.00 H new ATOM 778 N PRO A 47 -13.804 -8.231 -4.490 1.00 -0.66 N ATOM 779 CA PRO A 47 -14.335 -7.700 -5.754 1.00 0.36 C ATOM 780 C PRO A 47 -14.400 -6.151 -5.808 1.00 0.57 C ATOM 781 O PRO A 47 -15.318 -5.562 -6.390 1.00 -0.57 O ATOM 782 CB PRO A 47 -15.687 -8.409 -5.930 1.00 0.00 C ATOM 783 CG PRO A 47 -16.158 -8.688 -4.504 1.00 0.00 C ATOM 784 CD PRO A 47 -14.858 -8.900 -3.733 1.00 0.30 C ATOM 0 HA PRO A 47 -13.672 -7.908 -6.594 1.00 0.36 H new ATOM 0 HB2 PRO A 47 -16.398 -7.781 -6.468 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -15.581 -9.331 -6.501 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -16.732 -7.854 -4.101 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -16.800 -9.568 -4.458 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -14.933 -8.487 -2.727 1.00 0.30 H new ATOM 0 HD3 PRO A 47 -14.641 -9.963 -3.625 1.00 0.30 H new ATOM 792 N LEU A 48 -13.430 -5.475 -5.185 1.00 -0.73 N ATOM 793 CA LEU A 48 -13.265 -4.027 -5.201 1.00 0.36 C ATOM 794 C LEU A 48 -12.555 -3.651 -6.507 1.00 0.57 C ATOM 795 O LEU A 48 -11.605 -4.322 -6.911 1.00 -0.57 O ATOM 796 CB LEU A 48 -12.470 -3.623 -3.941 1.00 0.00 C ATOM 797 CG LEU A 48 -12.633 -2.144 -3.526 1.00 0.00 C ATOM 798 CD1 LEU A 48 -12.220 -1.940 -2.072 1.00 0.00 C ATOM 799 CD2 LEU A 48 -11.748 -1.191 -4.317 1.00 0.00 C ATOM 0 H LEU A 48 -12.711 -5.945 -4.635 1.00 -0.73 H new ATOM 0 HA LEU A 48 -14.215 -3.493 -5.174 1.00 0.36 H new ATOM 0 HB2 LEU A 48 -12.783 -4.256 -3.111 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.413 -3.824 -4.114 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.686 -1.927 -3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -12.343 -0.891 -1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -12.845 -2.557 -1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.176 -2.226 -1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.914 -0.170 -3.973 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.702 -1.458 -4.168 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.993 -1.261 -5.377 1.00 0.00 H new ATOM 811 N HIS A 49 -13.015 -2.584 -7.161 1.00 -0.73 N ATOM 812 CA HIS A 49 -12.514 -2.109 -8.448 1.00 0.36 C ATOM 813 C HIS A 49 -12.010 -0.668 -8.292 1.00 0.57 C ATOM 814 O HIS A 49 -12.407 0.040 -7.365 1.00 -0.57 O ATOM 815 CB HIS A 49 -13.653 -2.196 -9.475 1.00 0.17 C ATOM 816 CG HIS A 49 -14.119 -3.601 -9.807 1.00 0.18 C ATOM 817 ND1 HIS A 49 -14.804 -4.482 -8.992 1.00 -0.70 N ATOM 818 CD2 HIS A 49 -13.973 -4.220 -11.020 1.00 0.20 C ATOM 819 CE1 HIS A 49 -15.051 -5.592 -9.706 1.00 0.65 C ATOM 820 NE2 HIS A 49 -14.577 -5.479 -10.957 1.00 -0.70 N ATOM 0 H HIS A 49 -13.773 -2.008 -6.795 1.00 -0.73 H new ATOM 0 HA HIS A 49 -11.682 -2.722 -8.794 1.00 0.36 H new ATOM 0 HB2 HIS A 49 -14.504 -1.628 -9.099 1.00 0.17 H new ATOM 0 HB3 HIS A 49 -13.328 -1.711 -10.396 1.00 0.17 H new ATOM 0 HD1 HIS A 49 -15.074 -4.318 -8.022 1.00 -0.70 H new ATOM 0 HD2 HIS A 49 -13.474 -3.804 -11.883 1.00 0.20 H new ATOM 0 HE1 HIS A 49 -15.564 -6.462 -9.324 1.00 0.65 H new ATOM 829 N PHE A 50 -11.152 -0.193 -9.202 1.00 -0.73 N ATOM 830 CA PHE A 50 -10.476 1.091 -9.024 1.00 0.36 C ATOM 831 C PHE A 50 -10.429 1.843 -10.355 1.00 0.57 C ATOM 832 O PHE A 50 -10.374 1.214 -11.414 1.00 -0.57 O ATOM 833 CB PHE A 50 -9.065 0.924 -8.404 1.00 0.14 C ATOM 834 CG PHE A 50 -8.799 -0.346 -7.598 1.00 -0.14 C ATOM 835 CD1 PHE A 50 -8.622 -1.574 -8.270 1.00 -0.15 C ATOM 836 CD2 PHE A 50 -8.703 -0.311 -6.193 1.00 -0.15 C ATOM 837 CE1 PHE A 50 -8.411 -2.759 -7.545 1.00 -0.15 C ATOM 838 CE2 PHE A 50 -8.445 -1.493 -5.471 1.00 -0.15 C ATOM 839 CZ PHE A 50 -8.320 -2.721 -6.145 1.00 -0.15 C ATOM 0 H PHE A 50 -10.912 -0.679 -10.066 1.00 -0.73 H new ATOM 0 HA PHE A 50 -11.051 1.685 -8.313 1.00 0.36 H new ATOM 0 HB2 PHE A 50 -8.334 0.970 -9.212 1.00 0.14 H new ATOM 0 HB3 PHE A 50 -8.878 1.780 -7.756 1.00 0.14 H new ATOM 0 HD1 PHE A 50 -8.649 -1.603 -9.349 1.00 -0.15 H new ATOM 0 HD2 PHE A 50 -8.828 0.624 -5.668 1.00 -0.15 H new ATOM 0 HE1 PHE A 50 -8.319 -3.701 -8.066 1.00 -0.15 H new ATOM 0 HE2 PHE A 50 -8.343 -1.456 -4.396 1.00 -0.15 H new ATOM 0 HZ PHE A 50 -8.155 -3.631 -5.588 1.00 -0.15 H new ATOM 849 N ARG A 51 -10.449 3.181 -10.305 1.00 -0.73 N ATOM 850 CA ARG A 51 -10.421 4.047 -11.490 1.00 0.36 C ATOM 851 C ARG A 51 -9.673 5.348 -11.191 1.00 0.57 C ATOM 852 O ARG A 51 -9.213 5.566 -10.074 1.00 -0.57 O ATOM 853 CB ARG A 51 -11.861 4.319 -12.002 1.00 0.00 C ATOM 854 CG ARG A 51 -12.193 3.544 -13.293 1.00 0.00 C ATOM 855 CD ARG A 51 -12.971 2.249 -13.025 1.00 0.33 C ATOM 856 NE ARG A 51 -12.520 1.127 -13.874 1.00 -0.84 N ATOM 857 CZ ARG A 51 -13.239 0.027 -14.145 1.00 1.20 C ATOM 858 NH1 ARG A 51 -14.534 -0.031 -13.823 1.00 -0.97 N ATOM 859 NH2 ARG A 51 -12.667 -1.009 -14.766 1.00 -0.97 N ATOM 0 H ARG A 51 -10.486 3.700 -9.427 1.00 -0.73 H new ATOM 0 HA ARG A 51 -9.880 3.533 -12.285 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -12.575 4.045 -11.226 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.981 5.387 -12.184 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.777 4.183 -13.955 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.267 3.305 -13.816 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.860 1.973 -11.976 1.00 0.33 H new ATOM 0 HD3 ARG A 51 -14.033 2.426 -13.197 1.00 0.33 H new ATOM 0 HE ARG A 51 -11.589 1.194 -14.286 1.00 -0.84 H new ATOM 0 HH11 ARG A 51 -14.983 0.764 -13.368 1.00 -0.97 H new ATOM 0 HH12 ARG A 51 -15.074 -0.870 -14.032 1.00 -0.97 H new ATOM 0 HH21 ARG A 51 -11.684 -0.963 -15.034 1.00 -0.97 H new ATOM 0 HH22 ARG A 51 -13.214 -1.845 -14.972 1.00 -0.97 H new ATOM 873 N LYS A 52 -9.557 6.229 -12.189 1.00 -0.73 N ATOM 874 CA LYS A 52 -8.831 7.493 -12.094 1.00 0.36 C ATOM 875 C LYS A 52 -9.805 8.650 -12.333 1.00 0.57 C ATOM 876 O LYS A 52 -10.887 8.457 -12.893 1.00 -0.57 O ATOM 877 CB LYS A 52 -7.639 7.457 -13.074 1.00 0.00 C ATOM 878 CG LYS A 52 -6.706 8.662 -12.880 1.00 0.00 C ATOM 879 CD LYS A 52 -5.302 8.496 -13.484 1.00 0.00 C ATOM 880 CE LYS A 52 -4.280 9.107 -12.514 1.00 0.50 C ATOM 881 NZ LYS A 52 -3.015 9.487 -13.179 1.00 -0.85 N ATOM 0 H LYS A 52 -9.976 6.077 -13.106 1.00 -0.73 H new ATOM 0 HA LYS A 52 -8.412 7.647 -11.100 1.00 0.36 H new ATOM 0 HB2 LYS A 52 -7.077 6.535 -12.929 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.011 7.446 -14.099 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.175 9.541 -13.322 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.606 8.858 -11.812 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.083 7.441 -13.650 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.246 8.990 -14.454 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.716 9.987 -12.042 1.00 0.50 H new ATOM 0 HE3 LYS A 52 -4.067 8.392 -11.720 1.00 0.50 H new ATOM 0 HZ1 LYS A 52 -2.363 9.893 -12.478 1.00 -0.85 H new ATOM 0 HZ2 LYS A 52 -2.581 8.644 -13.608 1.00 -0.85 H new ATOM 0 HZ3 LYS A 52 -3.210 10.191 -13.919 1.00 -0.85 H new ATOM 895 N VAL A 53 -9.416 9.852 -11.913 1.00 -0.73 N ATOM 896 CA VAL A 53 -10.201 11.079 -12.011 1.00 0.36 C ATOM 897 C VAL A 53 -9.413 12.107 -12.824 1.00 0.57 C ATOM 898 O VAL A 53 -8.194 12.006 -12.946 1.00 -0.57 O ATOM 899 CB VAL A 53 -10.545 11.626 -10.607 1.00 0.00 C ATOM 900 CG1 VAL A 53 -11.497 10.686 -9.862 1.00 0.00 C ATOM 901 CG2 VAL A 53 -9.288 11.886 -9.760 1.00 0.00 C ATOM 0 H VAL A 53 -8.506 10.003 -11.477 1.00 -0.73 H new ATOM 0 HA VAL A 53 -11.144 10.868 -12.515 1.00 0.36 H new ATOM 0 HB VAL A 53 -11.046 12.582 -10.761 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.720 11.099 -8.878 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -12.422 10.581 -10.429 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.028 9.709 -9.748 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.581 12.269 -8.783 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.735 10.955 -9.634 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.656 12.618 -10.262 1.00 0.00 H new ATOM 911 N VAL A 54 -10.119 13.109 -13.355 1.00 -0.73 N ATOM 912 CA VAL A 54 -9.579 14.090 -14.301 1.00 0.36 C ATOM 913 C VAL A 54 -10.022 15.514 -13.909 1.00 0.57 C ATOM 914 O VAL A 54 -10.178 16.396 -14.754 1.00 -0.57 O ATOM 915 CB VAL A 54 -9.937 13.675 -15.752 1.00 0.00 C ATOM 916 CG1 VAL A 54 -9.260 12.348 -16.142 1.00 0.00 C ATOM 917 CG2 VAL A 54 -11.451 13.535 -15.995 1.00 0.00 C ATOM 0 H VAL A 54 -11.103 13.264 -13.135 1.00 -0.73 H new ATOM 0 HA VAL A 54 -8.490 14.106 -14.257 1.00 0.36 H new ATOM 0 HB VAL A 54 -9.565 14.489 -16.375 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.533 12.087 -17.165 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.178 12.457 -16.071 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.590 11.559 -15.466 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -11.628 13.243 -17.030 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -11.858 12.774 -15.329 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -11.941 14.489 -15.799 1.00 0.00 H new ATOM 927 N TRP A 55 -10.239 15.735 -12.604 1.00 -0.73 N ATOM 928 CA TRP A 55 -10.805 16.967 -12.058 1.00 0.36 C ATOM 929 C TRP A 55 -9.918 17.510 -10.938 1.00 0.57 C ATOM 930 O TRP A 55 -9.454 18.645 -11.034 1.00 -0.57 O ATOM 931 CB TRP A 55 -12.258 16.717 -11.592 1.00 0.18 C ATOM 932 CG TRP A 55 -13.269 17.695 -12.113 1.00 -0.18 C ATOM 933 CD1 TRP A 55 -13.453 17.991 -13.418 1.00 -0.30 C ATOM 934 CD2 TRP A 55 -14.243 18.515 -11.382 1.00 0.00 C ATOM 935 NE1 TRP A 55 -14.451 18.933 -13.552 1.00 0.03 N ATOM 936 CE2 TRP A 55 -14.968 19.299 -12.331 1.00 -0.15 C ATOM 937 CE3 TRP A 55 -14.594 18.679 -10.022 1.00 -0.15 C ATOM 938 CZ2 TRP A 55 -15.969 20.206 -11.954 1.00 -0.15 C ATOM 939 CZ3 TRP A 55 -15.597 19.592 -9.632 1.00 -0.15 C ATOM 940 CH2 TRP A 55 -16.280 20.358 -10.593 1.00 -0.15 C ATOM 0 H TRP A 55 -10.019 15.044 -11.887 1.00 -0.73 H new ATOM 0 HA TRP A 55 -10.838 17.731 -12.835 1.00 0.36 H new ATOM 0 HB2 TRP A 55 -12.554 15.714 -11.898 1.00 0.18 H new ATOM 0 HB3 TRP A 55 -12.283 16.738 -10.502 1.00 0.18 H new ATOM 0 HD1 TRP A 55 -12.900 17.554 -14.236 1.00 -0.30 H new ATOM 0 HE1 TRP A 55 -14.767 19.311 -14.445 1.00 0.03 H new ATOM 0 HE3 TRP A 55 -14.086 18.095 -9.269 1.00 -0.15 H new ATOM 0 HZ2 TRP A 55 -16.495 20.781 -12.702 1.00 -0.15 H new ATOM 0 HZ3 TRP A 55 -15.842 19.703 -8.586 1.00 -0.15 H new ATOM 0 HH2 TRP A 55 -17.041 21.060 -10.286 1.00 -0.15 H new ATOM 951 N GLY A 56 -9.631 16.680 -9.926 1.00 -0.73 N ATOM 952 CA GLY A 56 -8.876 17.057 -8.743 1.00 0.36 C ATOM 953 C GLY A 56 -8.157 15.838 -8.164 1.00 0.57 C ATOM 954 O GLY A 56 -7.542 15.066 -8.901 1.00 -0.57 O ATOM 0 H GLY A 56 -9.929 15.705 -9.916 1.00 -0.73 H new ATOM 0 HA2 GLY A 56 -8.150 17.830 -8.997 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -9.546 17.482 -7.996 1.00 0.36 H new ATOM 958 N THR A 57 -8.213 15.689 -6.842 1.00 -0.73 N ATOM 959 CA THR A 57 -7.625 14.570 -6.108 1.00 0.36 C ATOM 960 C THR A 57 -8.592 13.370 -6.117 1.00 0.57 C ATOM 961 O THR A 57 -9.701 13.461 -6.645 1.00 -0.57 O ATOM 962 CB THR A 57 -7.252 15.042 -4.682 1.00 0.28 C ATOM 963 OG1 THR A 57 -6.640 16.322 -4.737 1.00 -0.68 O ATOM 964 CG2 THR A 57 -6.291 14.091 -3.951 1.00 0.00 C ATOM 0 H THR A 57 -8.681 16.362 -6.235 1.00 -0.73 H new ATOM 0 HA THR A 57 -6.708 14.231 -6.589 1.00 0.36 H new ATOM 0 HB THR A 57 -8.189 15.068 -4.125 1.00 0.28 H new ATOM 0 HG1 THR A 57 -6.409 16.613 -3.830 1.00 -0.68 H new ATOM 0 HG21 THR A 57 -6.074 14.485 -2.958 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.753 13.108 -3.858 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.364 14.004 -4.518 1.00 0.00 H new ATOM 972 N ALA A 58 -8.163 12.247 -5.536 1.00 -0.73 N ATOM 973 CA ALA A 58 -8.854 10.971 -5.537 1.00 0.36 C ATOM 974 C ALA A 58 -8.818 10.347 -4.140 1.00 0.57 C ATOM 975 O ALA A 58 -8.126 10.840 -3.242 1.00 -0.57 O ATOM 976 CB ALA A 58 -8.138 10.055 -6.527 1.00 0.00 C ATOM 0 H ALA A 58 -7.279 12.209 -5.029 1.00 -0.73 H new ATOM 0 HA ALA A 58 -9.897 11.109 -5.822 1.00 0.36 H new ATOM 0 HB1 ALA A 58 -8.635 9.085 -6.551 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.166 10.501 -7.521 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.101 9.924 -6.217 1.00 0.00 H new ATOM 982 N ASP A 59 -9.537 9.235 -3.981 1.00 -0.73 N ATOM 983 CA ASP A 59 -9.584 8.500 -2.725 1.00 0.36 C ATOM 984 C ASP A 59 -8.173 8.005 -2.355 1.00 0.57 C ATOM 985 O ASP A 59 -7.787 8.151 -1.198 1.00 -0.57 O ATOM 986 CB ASP A 59 -10.579 7.328 -2.810 1.00 0.06 C ATOM 987 CG ASP A 59 -11.980 7.665 -3.343 1.00 0.66 C ATOM 988 OD1 ASP A 59 -12.484 6.862 -4.110 1.00 -0.57 O ATOM 989 OD2 ASP A 59 -12.574 8.805 -3.000 1.00 -0.65 O ATOM 0 H ASP A 59 -10.102 8.822 -4.723 1.00 -0.73 H new ATOM 0 HA ASP A 59 -9.934 9.170 -1.939 1.00 0.36 H new ATOM 0 HB2 ASP A 59 -10.146 6.557 -3.447 1.00 0.06 H new ATOM 0 HB3 ASP A 59 -10.686 6.896 -1.815 1.00 0.06 H new ATOM 995 N ILE A 60 -7.389 7.539 -3.345 1.00 -0.73 N ATOM 996 CA ILE A 60 -6.035 6.984 -3.219 1.00 0.36 C ATOM 997 C ILE A 60 -5.056 7.877 -4.015 1.00 0.57 C ATOM 998 O ILE A 60 -4.625 7.563 -5.131 1.00 -0.57 O ATOM 999 CB ILE A 60 -5.991 5.490 -3.657 1.00 0.00 C ATOM 1000 CG1 ILE A 60 -7.017 4.603 -2.908 1.00 0.00 C ATOM 1001 CG2 ILE A 60 -4.567 4.917 -3.467 1.00 0.00 C ATOM 1002 CD1 ILE A 60 -7.280 3.258 -3.601 1.00 0.00 C ATOM 0 H ILE A 60 -7.708 7.542 -4.314 1.00 -0.73 H new ATOM 0 HA ILE A 60 -5.726 6.988 -2.174 1.00 0.36 H new ATOM 0 HB ILE A 60 -6.265 5.471 -4.712 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.656 4.418 -1.896 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.958 5.146 -2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.551 3.872 -3.777 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.862 5.486 -4.073 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.283 4.988 -2.417 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.007 2.687 -3.024 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.671 3.435 -4.603 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.349 2.695 -3.669 1.00 0.00 H new ATOM 1014 N MET A 61 -4.732 9.041 -3.464 1.00 -0.73 N ATOM 1015 CA MET A 61 -3.632 9.869 -3.931 1.00 0.36 C ATOM 1016 C MET A 61 -2.309 9.188 -3.564 1.00 0.57 C ATOM 1017 O MET A 61 -2.079 8.832 -2.406 1.00 -0.57 O ATOM 1018 CB MET A 61 -3.750 11.282 -3.341 1.00 0.00 C ATOM 1019 CG MET A 61 -2.661 12.251 -3.804 1.00 0.23 C ATOM 1020 SD MET A 61 -1.425 12.655 -2.533 1.00 -0.46 S ATOM 1021 CE MET A 61 -2.017 14.291 -2.012 1.00 0.23 C ATOM 0 H MET A 61 -5.234 9.439 -2.670 1.00 -0.73 H new ATOM 0 HA MET A 61 -3.666 9.977 -5.015 1.00 0.36 H new ATOM 0 HB2 MET A 61 -4.723 11.694 -3.607 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.720 11.213 -2.254 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.151 11.820 -4.666 1.00 0.23 H new ATOM 0 HG3 MET A 61 -3.132 13.174 -4.141 1.00 0.23 H new ATOM 0 HE1 MET A 61 -1.365 14.682 -1.231 1.00 0.23 H new ATOM 0 HE2 MET A 61 -2.009 14.969 -2.865 1.00 0.23 H new ATOM 0 HE3 MET A 61 -3.033 14.205 -1.626 1.00 0.23 H new ATOM 1031 N ILE A 62 -1.427 9.039 -4.554 1.00 -0.73 N ATOM 1032 CA ILE A 62 -0.097 8.466 -4.395 1.00 0.36 C ATOM 1033 C ILE A 62 0.862 9.601 -4.753 1.00 0.57 C ATOM 1034 O ILE A 62 0.699 10.239 -5.793 1.00 -0.57 O ATOM 1035 CB ILE A 62 0.065 7.224 -5.309 1.00 0.00 C ATOM 1036 CG1 ILE A 62 -0.914 6.078 -4.946 1.00 0.00 C ATOM 1037 CG2 ILE A 62 1.501 6.671 -5.284 1.00 0.00 C ATOM 1038 CD1 ILE A 62 -1.585 5.484 -6.190 1.00 0.00 C ATOM 0 H ILE A 62 -1.627 9.323 -5.513 1.00 -0.73 H new ATOM 0 HA ILE A 62 0.099 8.104 -3.386 1.00 0.36 H new ATOM 0 HB ILE A 62 -0.170 7.579 -6.312 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.374 5.294 -4.415 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.678 6.455 -4.266 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.568 5.802 -5.938 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.193 7.439 -5.629 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.761 6.380 -4.266 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.263 4.684 -5.891 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.147 6.262 -6.707 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.823 5.083 -6.858 1.00 0.00 H new ATOM 1050 N GLY A 63 1.851 9.872 -3.901 1.00 -0.73 N ATOM 1051 CA GLY A 63 2.832 10.919 -4.156 1.00 0.36 C ATOM 1052 C GLY A 63 4.199 10.541 -3.604 1.00 0.57 C ATOM 1053 O GLY A 63 4.342 9.551 -2.892 1.00 -0.57 O ATOM 0 H GLY A 63 1.992 9.374 -3.022 1.00 -0.73 H new ATOM 0 HA2 GLY A 63 2.907 11.097 -5.229 1.00 0.36 H new ATOM 0 HA3 GLY A 63 2.499 11.852 -3.701 1.00 0.36 H new ATOM 1057 N PHE A 64 5.214 11.334 -3.944 1.00 -0.73 N ATOM 1058 CA PHE A 64 6.600 11.051 -3.604 1.00 0.36 C ATOM 1059 C PHE A 64 7.289 12.378 -3.319 1.00 0.57 C ATOM 1060 O PHE A 64 6.885 13.409 -3.877 1.00 -0.57 O ATOM 1061 CB PHE A 64 7.340 10.293 -4.727 1.00 0.14 C ATOM 1062 CG PHE A 64 6.615 9.112 -5.340 1.00 -0.14 C ATOM 1063 CD1 PHE A 64 5.479 9.338 -6.129 1.00 -0.15 C ATOM 1064 CD2 PHE A 64 7.023 7.791 -5.084 1.00 -0.15 C ATOM 1065 CE1 PHE A 64 4.670 8.275 -6.542 1.00 -0.15 C ATOM 1066 CE2 PHE A 64 6.196 6.720 -5.467 1.00 -0.15 C ATOM 1067 CZ PHE A 64 5.003 6.968 -6.168 1.00 -0.15 C ATOM 0 H PHE A 64 5.091 12.200 -4.469 1.00 -0.73 H new ATOM 0 HA PHE A 64 6.623 10.401 -2.729 1.00 0.36 H new ATOM 0 HB2 PHE A 64 7.570 11.002 -5.522 1.00 0.14 H new ATOM 0 HB3 PHE A 64 8.292 9.940 -4.330 1.00 0.14 H new ATOM 0 HD1 PHE A 64 5.225 10.346 -6.422 1.00 -0.15 H new ATOM 0 HD2 PHE A 64 7.967 7.600 -4.596 1.00 -0.15 H new ATOM 0 HE1 PHE A 64 3.794 8.461 -7.146 1.00 -0.15 H new ATOM 0 HE2 PHE A 64 6.478 5.706 -5.222 1.00 -0.15 H new ATOM 0 HZ PHE A 64 4.343 6.150 -6.418 1.00 -0.15 H new ATOM 1077 N ALA A 65 8.306 12.327 -2.455 1.00 -0.73 N ATOM 1078 CA ALA A 65 9.052 13.486 -1.988 1.00 0.36 C ATOM 1079 C ALA A 65 10.483 13.090 -1.631 1.00 0.57 C ATOM 1080 O ALA A 65 10.794 11.904 -1.541 1.00 -0.57 O ATOM 1081 CB ALA A 65 8.352 14.036 -0.748 1.00 0.00 C ATOM 0 H ALA A 65 8.638 11.451 -2.053 1.00 -0.73 H new ATOM 0 HA ALA A 65 9.089 14.240 -2.774 1.00 0.36 H new ATOM 0 HB1 ALA A 65 8.895 14.907 -0.380 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.333 14.325 -1.004 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.328 13.269 0.026 1.00 0.00 H new ATOM 1087 N ARG A 66 11.335 14.085 -1.364 1.00 -0.73 N ATOM 1088 CA ARG A 66 12.764 13.887 -1.139 1.00 0.36 C ATOM 1089 C ARG A 66 13.218 14.578 0.150 1.00 0.57 C ATOM 1090 O ARG A 66 14.053 15.484 0.135 1.00 -0.57 O ATOM 1091 CB ARG A 66 13.550 14.257 -2.414 1.00 0.00 C ATOM 1092 CG ARG A 66 13.493 15.742 -2.831 1.00 0.00 C ATOM 1093 CD ARG A 66 12.786 15.991 -4.174 1.00 0.33 C ATOM 1094 NE ARG A 66 13.258 17.238 -4.818 1.00 -0.84 N ATOM 1095 CZ ARG A 66 14.427 17.376 -5.467 1.00 1.20 C ATOM 1096 NH1 ARG A 66 15.209 16.312 -5.660 1.00 -0.97 N ATOM 1097 NH2 ARG A 66 14.832 18.568 -5.925 1.00 -0.97 N ATOM 0 H ARG A 66 11.045 15.061 -1.298 1.00 -0.73 H new ATOM 0 HA ARG A 66 12.984 12.834 -0.962 1.00 0.36 H new ATOM 0 HB2 ARG A 66 14.594 13.980 -2.268 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.173 13.653 -3.239 1.00 0.00 H new ATOM 0 HG2 ARG A 66 12.980 16.307 -2.053 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.510 16.131 -2.890 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.964 15.147 -4.841 1.00 0.33 H new ATOM 0 HD3 ARG A 66 11.709 16.049 -4.013 1.00 0.33 H new ATOM 0 HE ARG A 66 12.649 18.055 -4.765 1.00 -0.84 H new ATOM 0 HH11 ARG A 66 14.919 15.397 -5.315 1.00 -0.97 H new ATOM 0 HH12 ARG A 66 16.097 16.414 -6.152 1.00 -0.97 H new ATOM 0 HH21 ARG A 66 14.250 19.393 -5.784 1.00 -0.97 H new ATOM 0 HH22 ARG A 66 15.723 18.650 -6.415 1.00 -0.97 H new ATOM 1111 N GLY A 67 12.586 14.210 1.267 1.00 -0.73 N ATOM 1112 CA GLY A 67 12.930 14.672 2.608 1.00 0.36 C ATOM 1113 C GLY A 67 11.727 15.291 3.311 1.00 0.57 C ATOM 1114 O GLY A 67 11.432 14.937 4.446 1.00 -0.57 O ATOM 0 H GLY A 67 11.798 13.563 1.260 1.00 -0.73 H new ATOM 0 HA2 GLY A 67 13.306 13.835 3.197 1.00 0.36 H new ATOM 0 HA3 GLY A 67 13.734 15.405 2.546 1.00 0.36 H new ATOM 1118 N ALA A 68 10.973 16.165 2.637 1.00 -0.73 N ATOM 1119 CA ALA A 68 9.761 16.765 3.180 1.00 0.36 C ATOM 1120 C ALA A 68 8.826 17.155 2.036 1.00 0.57 C ATOM 1121 O ALA A 68 9.273 17.339 0.901 1.00 -0.57 O ATOM 1122 CB ALA A 68 10.118 17.986 4.035 1.00 0.00 C ATOM 0 H ALA A 68 11.193 16.476 1.691 1.00 -0.73 H new ATOM 0 HA ALA A 68 9.250 16.042 3.816 1.00 0.36 H new ATOM 0 HB1 ALA A 68 9.206 18.428 4.437 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.765 17.678 4.857 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.637 18.721 3.420 1.00 0.00 H new ATOM 1128 N HIS A 69 7.533 17.273 2.349 1.00 -0.73 N ATOM 1129 CA HIS A 69 6.444 17.537 1.420 1.00 0.36 C ATOM 1130 C HIS A 69 5.318 18.227 2.184 1.00 0.57 C ATOM 1131 O HIS A 69 5.289 18.188 3.413 1.00 -0.57 O ATOM 1132 CB HIS A 69 5.940 16.235 0.757 1.00 0.17 C ATOM 1133 CG HIS A 69 5.694 15.018 1.638 1.00 0.18 C ATOM 1134 ND1 HIS A 69 6.508 14.511 2.628 1.00 -0.70 N ATOM 1135 CD2 HIS A 69 4.634 14.156 1.538 1.00 0.20 C ATOM 1136 CE1 HIS A 69 5.918 13.421 3.146 1.00 0.65 C ATOM 1137 NE2 HIS A 69 4.778 13.146 2.496 1.00 -0.70 N ATOM 0 H HIS A 69 7.206 17.181 3.311 1.00 -0.73 H new ATOM 0 HA HIS A 69 6.801 18.183 0.618 1.00 0.36 H new ATOM 0 HB2 HIS A 69 5.007 16.465 0.242 1.00 0.17 H new ATOM 0 HB3 HIS A 69 6.664 15.950 -0.007 1.00 0.17 H new ATOM 0 HD2 HIS A 69 3.819 14.242 0.834 1.00 0.20 H new ATOM 0 HE1 HIS A 69 6.308 12.845 3.972 1.00 0.65 H new ATOM 0 HE2 HIS A 69 4.147 12.363 2.665 1.00 -0.70 H new ATOM 1146 N GLY A 70 4.387 18.850 1.455 1.00 -0.73 N ATOM 1147 CA GLY A 70 3.193 19.452 2.023 1.00 0.36 C ATOM 1148 C GLY A 70 2.088 18.411 2.127 1.00 0.57 C ATOM 1149 O GLY A 70 1.287 18.267 1.196 1.00 -0.57 O ATOM 0 H GLY A 70 4.449 18.948 0.442 1.00 -0.73 H new ATOM 0 HA2 GLY A 70 3.415 19.860 3.009 1.00 0.36 H new ATOM 0 HA3 GLY A 70 2.863 20.284 1.401 1.00 0.36 H new ATOM 1153 N ASP A 71 2.079 17.649 3.220 1.00 -0.73 N ATOM 1154 CA ASP A 71 1.070 16.630 3.492 1.00 0.36 C ATOM 1155 C ASP A 71 0.508 16.777 4.917 1.00 0.57 C ATOM 1156 O ASP A 71 -0.699 16.951 5.062 1.00 -0.57 O ATOM 1157 CB ASP A 71 1.677 15.233 3.260 1.00 0.06 C ATOM 1158 CG ASP A 71 2.687 14.852 4.339 1.00 0.66 C ATOM 1159 OD1 ASP A 71 3.539 15.675 4.632 1.00 -0.57 O ATOM 1160 OD2 ASP A 71 2.449 13.744 5.036 1.00 -0.65 O ATOM 0 H ASP A 71 2.785 17.725 3.952 1.00 -0.73 H new ATOM 0 HA ASP A 71 0.233 16.761 2.807 1.00 0.36 H new ATOM 0 HB2 ASP A 71 0.878 14.492 3.236 1.00 0.06 H new ATOM 0 HB3 ASP A 71 2.164 15.209 2.285 1.00 0.06 H new ATOM 1166 N SER A 72 1.385 16.772 5.933 1.00 -0.73 N ATOM 1167 CA SER A 72 1.126 16.618 7.369 1.00 0.36 C ATOM 1168 C SER A 72 2.397 16.126 8.088 1.00 0.57 C ATOM 1169 O SER A 72 2.650 16.590 9.199 1.00 -0.57 O ATOM 1170 CB SER A 72 -0.008 15.615 7.668 1.00 0.28 C ATOM 1171 OG SER A 72 -1.281 16.223 7.841 1.00 -0.68 O ATOM 0 H SER A 72 2.382 16.886 5.752 1.00 -0.73 H new ATOM 0 HA SER A 72 0.823 17.601 7.731 1.00 0.36 H new ATOM 0 HB2 SER A 72 -0.068 14.895 6.852 1.00 0.28 H new ATOM 0 HB3 SER A 72 0.243 15.056 8.569 1.00 0.28 H new ATOM 0 HG SER A 72 -1.537 16.687 7.016 1.00 -0.68 H new ATOM 1177 N TYR A 73 3.193 15.220 7.493 1.00 -0.73 N ATOM 1178 CA TYR A 73 4.318 14.578 8.166 1.00 0.36 C ATOM 1179 C TYR A 73 5.580 14.674 7.307 1.00 0.57 C ATOM 1180 O TYR A 73 5.684 13.981 6.291 1.00 -0.57 O ATOM 1181 CB TYR A 73 3.995 13.112 8.487 1.00 0.14 C ATOM 1182 CG TYR A 73 2.892 12.951 9.510 1.00 -0.14 C ATOM 1183 CD1 TYR A 73 3.142 13.274 10.858 1.00 -0.15 C ATOM 1184 CD2 TYR A 73 1.619 12.499 9.116 1.00 -0.15 C ATOM 1185 CE1 TYR A 73 2.122 13.140 11.811 1.00 -0.15 C ATOM 1186 CE2 TYR A 73 0.600 12.334 10.071 1.00 -0.15 C ATOM 1187 CZ TYR A 73 0.854 12.653 11.428 1.00 0.08 C ATOM 1188 OH TYR A 73 -0.097 12.469 12.384 1.00 -0.53 O ATOM 0 H TYR A 73 3.067 14.917 6.527 1.00 -0.73 H new ATOM 0 HA TYR A 73 4.498 15.100 9.105 1.00 0.36 H new ATOM 0 HB2 TYR A 73 3.706 12.602 7.568 1.00 0.14 H new ATOM 0 HB3 TYR A 73 4.896 12.621 8.854 1.00 0.14 H new ATOM 0 HD1 TYR A 73 4.119 13.625 11.157 1.00 -0.15 H new ATOM 0 HD2 TYR A 73 1.424 12.278 8.077 1.00 -0.15 H new ATOM 0 HE1 TYR A 73 2.307 13.410 12.840 1.00 -0.15 H new ATOM 0 HE2 TYR A 73 -0.370 11.966 9.772 1.00 -0.15 H new ATOM 0 HH TYR A 73 -0.917 12.131 11.968 1.00 -0.53 H new ATOM 1198 N PRO A 74 6.583 15.474 7.725 1.00 -0.66 N ATOM 1199 CA PRO A 74 7.855 15.501 7.035 1.00 0.36 C ATOM 1200 C PRO A 74 8.514 14.126 7.165 1.00 0.57 C ATOM 1201 O PRO A 74 8.551 13.527 8.251 1.00 -0.57 O ATOM 1202 CB PRO A 74 8.669 16.633 7.662 1.00 0.00 C ATOM 1203 CG PRO A 74 8.070 16.813 9.056 1.00 0.00 C ATOM 1204 CD PRO A 74 6.649 16.255 8.955 1.00 0.30 C ATOM 0 HA PRO A 74 7.762 15.695 5.966 1.00 0.36 H new ATOM 0 HB2 PRO A 74 9.727 16.378 7.715 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.591 17.549 7.076 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.651 16.278 9.807 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.061 17.863 9.349 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.417 15.633 9.819 1.00 0.30 H new ATOM 0 HD3 PRO A 74 5.918 17.063 8.938 1.00 0.30 H new ATOM 1212 N PHE A 75 8.997 13.650 6.014 1.00 -0.73 N ATOM 1213 CA PHE A 75 9.807 12.457 5.867 1.00 0.36 C ATOM 1214 C PHE A 75 11.213 12.692 6.454 1.00 0.57 C ATOM 1215 O PHE A 75 11.484 13.671 7.152 1.00 -0.57 O ATOM 1216 CB PHE A 75 9.830 12.053 4.369 1.00 0.14 C ATOM 1217 CG PHE A 75 8.786 11.039 3.928 1.00 -0.14 C ATOM 1218 CD1 PHE A 75 8.517 9.890 4.698 1.00 -0.15 C ATOM 1219 CD2 PHE A 75 8.151 11.194 2.680 1.00 -0.15 C ATOM 1220 CE1 PHE A 75 7.570 8.948 4.262 1.00 -0.15 C ATOM 1221 CE2 PHE A 75 7.197 10.260 2.248 1.00 -0.15 C ATOM 1222 CZ PHE A 75 6.893 9.149 3.051 1.00 -0.15 C ATOM 0 H PHE A 75 8.821 14.114 5.123 1.00 -0.73 H new ATOM 0 HA PHE A 75 9.379 11.626 6.428 1.00 0.36 H new ATOM 0 HB2 PHE A 75 9.705 12.955 3.770 1.00 0.14 H new ATOM 0 HB3 PHE A 75 10.816 11.651 4.138 1.00 0.14 H new ATOM 0 HD1 PHE A 75 9.042 9.732 5.629 1.00 -0.15 H new ATOM 0 HD2 PHE A 75 8.400 12.037 2.052 1.00 -0.15 H new ATOM 0 HE1 PHE A 75 7.364 8.071 4.858 1.00 -0.15 H new ATOM 0 HE2 PHE A 75 6.698 10.395 1.300 1.00 -0.15 H new ATOM 0 HZ PHE A 75 6.135 8.447 2.735 1.00 -0.15 H new ATOM 1232 N ASP A 76 12.105 11.742 6.186 1.00 -0.73 N ATOM 1233 CA ASP A 76 13.416 11.572 6.787 1.00 0.36 C ATOM 1234 C ASP A 76 14.505 11.659 5.699 1.00 0.57 C ATOM 1235 O ASP A 76 15.574 12.219 5.969 1.00 -0.57 O ATOM 1236 CB ASP A 76 13.418 10.177 7.454 1.00 0.06 C ATOM 1237 CG ASP A 76 13.020 9.014 6.534 1.00 0.66 C ATOM 1238 OD1 ASP A 76 12.622 9.239 5.403 1.00 -0.57 O ATOM 1239 OD2 ASP A 76 13.104 7.768 6.991 1.00 -0.65 O ATOM 0 H ASP A 76 11.912 11.020 5.492 1.00 -0.73 H new ATOM 0 HA ASP A 76 13.624 12.350 7.522 1.00 0.36 H new ATOM 0 HB2 ASP A 76 14.415 9.982 7.850 1.00 0.06 H new ATOM 0 HB3 ASP A 76 12.736 10.197 8.304 1.00 0.06 H new ATOM 1245 N GLY A 77 14.237 11.168 4.481 1.00 -0.73 N ATOM 1246 CA GLY A 77 15.200 11.056 3.399 1.00 0.36 C ATOM 1247 C GLY A 77 15.808 9.643 3.373 1.00 0.57 C ATOM 1248 O GLY A 77 15.102 8.679 3.666 1.00 -0.57 O ATOM 0 H GLY A 77 13.310 10.829 4.223 1.00 -0.73 H new ATOM 0 HA2 GLY A 77 14.714 11.268 2.447 1.00 0.36 H new ATOM 0 HA3 GLY A 77 15.989 11.797 3.527 1.00 0.36 H new ATOM 1252 N PRO A 78 17.086 9.476 2.995 1.00 -0.66 N ATOM 1253 CA PRO A 78 17.705 8.168 2.800 1.00 0.36 C ATOM 1254 C PRO A 78 18.069 7.489 4.138 1.00 0.57 C ATOM 1255 O PRO A 78 18.987 7.920 4.836 1.00 -0.57 O ATOM 1256 CB PRO A 78 18.918 8.443 1.908 1.00 0.00 C ATOM 1257 CG PRO A 78 19.324 9.876 2.261 1.00 0.00 C ATOM 1258 CD PRO A 78 18.008 10.546 2.650 1.00 0.30 C ATOM 0 HA PRO A 78 17.027 7.455 2.332 1.00 0.36 H new ATOM 0 HB2 PRO A 78 19.726 7.739 2.106 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.666 8.349 0.852 1.00 0.00 H new ATOM 0 HG2 PRO A 78 20.041 9.897 3.082 1.00 0.00 H new ATOM 0 HG3 PRO A 78 19.793 10.378 1.415 1.00 0.00 H new ATOM 0 HD2 PRO A 78 18.151 11.222 3.493 1.00 0.30 H new ATOM 0 HD3 PRO A 78 17.618 11.143 1.826 1.00 0.30 H new ATOM 1266 N GLY A 79 17.358 6.399 4.469 1.00 -0.73 N ATOM 1267 CA GLY A 79 17.451 5.596 5.690 1.00 0.36 C ATOM 1268 C GLY A 79 16.158 5.739 6.503 1.00 0.57 C ATOM 1269 O GLY A 79 15.471 6.733 6.319 1.00 -0.57 O ATOM 0 H GLY A 79 16.648 6.031 3.836 1.00 -0.73 H new ATOM 0 HA2 GLY A 79 17.619 4.549 5.436 1.00 0.36 H new ATOM 0 HA3 GLY A 79 18.304 5.920 6.286 1.00 0.36 H new ATOM 1273 N ASN A 80 15.851 4.810 7.427 1.00 -0.73 N ATOM 1274 CA ASN A 80 14.663 4.819 8.314 1.00 0.36 C ATOM 1275 C ASN A 80 13.345 4.540 7.545 1.00 0.57 C ATOM 1276 O ASN A 80 13.360 3.666 6.684 1.00 -0.57 O ATOM 1277 CB ASN A 80 14.697 6.048 9.251 1.00 0.06 C ATOM 1278 CG ASN A 80 13.803 5.903 10.477 1.00 0.57 C ATOM 1279 OD1 ASN A 80 13.932 4.959 11.249 1.00 -0.57 O ATOM 1280 ND2 ASN A 80 12.911 6.856 10.712 1.00 -0.80 N ATOM 0 H ASN A 80 16.446 3.997 7.586 1.00 -0.73 H new ATOM 0 HA ASN A 80 14.700 3.969 8.995 1.00 0.36 H new ATOM 0 HB2 ASN A 80 15.723 6.218 9.577 1.00 0.06 H new ATOM 0 HB3 ASN A 80 14.391 6.931 8.690 1.00 0.06 H new ATOM 0 HD21 ASN A 80 12.322 6.809 11.543 1.00 -0.80 H new ATOM 0 HD22 ASN A 80 12.814 7.636 10.061 1.00 -0.80 H new ATOM 1287 N THR A 81 12.202 5.162 7.881 1.00 -0.73 N ATOM 1288 CA THR A 81 10.890 4.994 7.226 1.00 0.36 C ATOM 1289 C THR A 81 11.019 5.142 5.694 1.00 0.57 C ATOM 1290 O THR A 81 11.728 6.022 5.240 1.00 -0.57 O ATOM 1291 CB THR A 81 9.946 6.080 7.804 1.00 0.28 C ATOM 1292 OG1 THR A 81 10.094 6.189 9.210 1.00 -0.68 O ATOM 1293 CG2 THR A 81 8.453 5.848 7.543 1.00 0.00 C ATOM 0 H THR A 81 12.164 5.827 8.653 1.00 -0.73 H new ATOM 0 HA THR A 81 10.492 3.998 7.418 1.00 0.36 H new ATOM 0 HB THR A 81 10.251 6.986 7.280 1.00 0.28 H new ATOM 0 HG1 THR A 81 9.489 6.881 9.550 1.00 -0.68 H new ATOM 0 HG21 THR A 81 7.876 6.660 7.986 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.272 5.818 6.469 1.00 0.00 H new ATOM 0 HG23 THR A 81 8.148 4.901 7.989 1.00 0.00 H new ATOM 1301 N LEU A 82 10.356 4.331 4.864 1.00 -0.73 N ATOM 1302 CA LEU A 82 10.508 4.361 3.400 1.00 0.36 C ATOM 1303 C LEU A 82 9.269 4.935 2.697 1.00 0.57 C ATOM 1304 O LEU A 82 9.379 5.511 1.612 1.00 -0.57 O ATOM 1305 CB LEU A 82 10.816 2.945 2.868 1.00 0.00 C ATOM 1306 CG LEU A 82 11.982 2.213 3.570 1.00 0.00 C ATOM 1307 CD1 LEU A 82 12.263 0.871 2.895 1.00 0.00 C ATOM 1308 CD2 LEU A 82 13.280 3.025 3.534 1.00 0.00 C ATOM 0 H LEU A 82 9.692 3.628 5.189 1.00 -0.73 H new ATOM 0 HA LEU A 82 11.343 5.024 3.174 1.00 0.36 H new ATOM 0 HB2 LEU A 82 9.917 2.336 2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.042 3.016 1.804 1.00 0.00 H new ATOM 0 HG LEU A 82 11.670 2.071 4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 82 13.087 0.373 3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.373 0.244 2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 82 12.530 1.037 1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 82 14.070 2.470 4.039 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.568 3.205 2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 82 13.127 3.979 4.039 1.00 0.00 H new ATOM 1320 N ALA A 83 8.088 4.775 3.300 1.00 -0.73 N ATOM 1321 CA ALA A 83 6.826 5.280 2.788 1.00 0.36 C ATOM 1322 C ALA A 83 5.838 5.363 3.954 1.00 0.57 C ATOM 1323 O ALA A 83 6.087 4.787 5.017 1.00 -0.57 O ATOM 1324 CB ALA A 83 6.313 4.349 1.681 1.00 0.00 C ATOM 0 H ALA A 83 7.988 4.275 4.183 1.00 -0.73 H new ATOM 0 HA ALA A 83 6.948 6.273 2.355 1.00 0.36 H new ATOM 0 HB1 ALA A 83 5.366 4.728 1.297 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.043 4.309 0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.166 3.348 2.087 1.00 0.00 H new ATOM 1330 N HIS A 84 4.726 6.071 3.774 1.00 -0.73 N ATOM 1331 CA HIS A 84 3.640 6.073 4.744 1.00 0.36 C ATOM 1332 C HIS A 84 2.307 6.210 4.017 1.00 0.57 C ATOM 1333 O HIS A 84 2.254 6.702 2.887 1.00 -0.57 O ATOM 1334 CB HIS A 84 3.849 7.161 5.813 1.00 0.17 C ATOM 1335 CG HIS A 84 3.772 8.596 5.339 1.00 0.18 C ATOM 1336 ND1 HIS A 84 4.729 9.568 5.530 1.00 -0.70 N ATOM 1337 CD2 HIS A 84 2.689 9.215 4.771 1.00 0.20 C ATOM 1338 CE1 HIS A 84 4.235 10.734 5.086 1.00 0.65 C ATOM 1339 NE2 HIS A 84 2.998 10.563 4.596 1.00 -0.70 N ATOM 0 H HIS A 84 4.555 6.656 2.956 1.00 -0.73 H new ATOM 0 HA HIS A 84 3.631 5.124 5.280 1.00 0.36 H new ATOM 0 HB2 HIS A 84 3.103 7.019 6.595 1.00 0.17 H new ATOM 0 HB3 HIS A 84 4.825 7.005 6.272 1.00 0.17 H new ATOM 0 HD1 HIS A 84 5.653 9.426 5.938 1.00 -0.70 H new ATOM 0 HD2 HIS A 84 1.756 8.740 4.505 1.00 0.20 H new ATOM 0 HE1 HIS A 84 4.760 11.677 5.119 1.00 0.65 H new ATOM 1348 N ALA A 85 1.227 5.852 4.714 1.00 -0.73 N ATOM 1349 CA ALA A 85 -0.136 5.925 4.225 1.00 0.36 C ATOM 1350 C ALA A 85 -1.063 6.284 5.382 1.00 0.57 C ATOM 1351 O ALA A 85 -0.711 6.127 6.558 1.00 -0.57 O ATOM 1352 CB ALA A 85 -0.518 4.578 3.604 1.00 0.00 C ATOM 0 H ALA A 85 1.288 5.492 5.666 1.00 -0.73 H new ATOM 0 HA ALA A 85 -0.228 6.695 3.459 1.00 0.36 H new ATOM 0 HB1 ALA A 85 -1.542 4.625 3.234 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.156 4.354 2.778 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.441 3.795 4.358 1.00 0.00 H new ATOM 1358 N PHE A 86 -2.261 6.754 5.034 1.00 -0.73 N ATOM 1359 CA PHE A 86 -3.280 7.159 5.990 1.00 0.36 C ATOM 1360 C PHE A 86 -4.473 6.206 5.858 1.00 0.57 C ATOM 1361 O PHE A 86 -4.728 5.668 4.781 1.00 -0.57 O ATOM 1362 CB PHE A 86 -3.654 8.629 5.731 1.00 0.14 C ATOM 1363 CG PHE A 86 -2.472 9.566 5.490 1.00 -0.14 C ATOM 1364 CD1 PHE A 86 -1.420 9.669 6.424 1.00 -0.15 C ATOM 1365 CD2 PHE A 86 -2.392 10.295 4.291 1.00 -0.15 C ATOM 1366 CE1 PHE A 86 -0.308 10.486 6.150 1.00 -0.15 C ATOM 1367 CE2 PHE A 86 -1.291 11.126 4.022 1.00 -0.15 C ATOM 1368 CZ PHE A 86 -0.250 11.228 4.956 1.00 -0.15 C ATOM 0 H PHE A 86 -2.551 6.864 4.062 1.00 -0.73 H new ATOM 0 HA PHE A 86 -2.919 7.097 7.016 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -4.314 8.672 4.865 1.00 0.14 H new ATOM 0 HB3 PHE A 86 -4.223 8.999 6.584 1.00 0.14 H new ATOM 0 HD1 PHE A 86 -1.468 9.119 7.352 1.00 -0.15 H new ATOM 0 HD2 PHE A 86 -3.188 10.215 3.566 1.00 -0.15 H new ATOM 0 HE1 PHE A 86 0.505 10.544 6.859 1.00 -0.15 H new ATOM 0 HE2 PHE A 86 -1.247 11.684 3.099 1.00 -0.15 H new ATOM 0 HZ PHE A 86 0.593 11.874 4.760 1.00 -0.15 H new ATOM 1378 N ALA A 87 -5.214 5.990 6.951 1.00 -0.73 N ATOM 1379 CA ALA A 87 -6.432 5.180 6.920 1.00 0.36 C ATOM 1380 C ALA A 87 -7.478 5.846 6.016 1.00 0.57 C ATOM 1381 O ALA A 87 -7.478 7.075 5.921 1.00 -0.57 O ATOM 1382 CB ALA A 87 -6.980 5.027 8.340 1.00 0.00 C ATOM 0 H ALA A 87 -4.988 6.368 7.871 1.00 -0.73 H new ATOM 0 HA ALA A 87 -6.201 4.193 6.519 1.00 0.36 H new ATOM 0 HB1 ALA A 87 -7.887 4.424 8.317 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.235 4.538 8.967 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.209 6.011 8.750 1.00 0.00 H new ATOM 1388 N PRO A 88 -8.370 5.085 5.355 1.00 -0.66 N ATOM 1389 CA PRO A 88 -9.403 5.659 4.504 1.00 0.36 C ATOM 1390 C PRO A 88 -10.437 6.418 5.337 1.00 0.57 C ATOM 1391 O PRO A 88 -10.552 6.213 6.548 1.00 -0.57 O ATOM 1392 CB PRO A 88 -10.012 4.488 3.737 1.00 0.00 C ATOM 1393 CG PRO A 88 -9.740 3.271 4.603 1.00 0.00 C ATOM 1394 CD PRO A 88 -8.501 3.639 5.418 1.00 0.30 C ATOM 0 HA PRO A 88 -8.998 6.396 3.810 1.00 0.36 H new ATOM 0 HB2 PRO A 88 -11.081 4.631 3.581 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.558 4.382 2.752 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.588 3.049 5.251 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.564 2.384 3.994 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.604 3.305 6.450 1.00 0.30 H new ATOM 0 HD3 PRO A 88 -7.614 3.153 5.013 1.00 0.30 H new ATOM 1402 N GLY A 89 -11.191 7.295 4.668 1.00 -0.73 N ATOM 1403 CA GLY A 89 -12.300 8.008 5.271 1.00 0.36 C ATOM 1404 C GLY A 89 -12.446 9.393 4.664 1.00 0.57 C ATOM 1405 O GLY A 89 -13.254 9.579 3.755 1.00 -0.57 O ATOM 0 H GLY A 89 -11.041 7.526 3.686 1.00 -0.73 H new ATOM 0 HA2 GLY A 89 -13.222 7.444 5.127 1.00 0.36 H new ATOM 0 HA3 GLY A 89 -12.142 8.092 6.346 1.00 0.36 H new ATOM 1409 N THR A 90 -11.658 10.339 5.183 1.00 -0.73 N ATOM 1410 CA THR A 90 -11.668 11.749 4.809 1.00 0.36 C ATOM 1411 C THR A 90 -10.928 11.979 3.483 1.00 0.57 C ATOM 1412 O THR A 90 -10.424 11.038 2.870 1.00 -0.57 O ATOM 1413 CB THR A 90 -11.020 12.555 5.952 1.00 0.28 C ATOM 1414 OG1 THR A 90 -9.732 12.026 6.219 1.00 -0.68 O ATOM 1415 CG2 THR A 90 -11.865 12.506 7.230 1.00 0.00 C ATOM 0 H THR A 90 -10.968 10.131 5.905 1.00 -0.73 H new ATOM 0 HA THR A 90 -12.695 12.081 4.657 1.00 0.36 H new ATOM 0 HB THR A 90 -10.949 13.596 5.637 1.00 0.28 H new ATOM 0 HG1 THR A 90 -9.313 12.535 6.944 1.00 -0.68 H new ATOM 0 HG21 THR A 90 -11.375 13.086 8.012 1.00 0.00 H new ATOM 0 HG22 THR A 90 -12.851 12.926 7.031 1.00 0.00 H new ATOM 0 HG23 THR A 90 -11.971 11.472 7.557 1.00 0.00 H new ATOM 1423 N GLY A 91 -10.826 13.244 3.053 1.00 -0.73 N ATOM 1424 CA GLY A 91 -10.145 13.623 1.819 1.00 0.36 C ATOM 1425 C GLY A 91 -8.688 13.157 1.777 1.00 0.57 C ATOM 1426 O GLY A 91 -8.322 12.478 0.821 1.00 -0.57 O ATOM 0 H GLY A 91 -11.219 14.036 3.561 1.00 -0.73 H new ATOM 0 HA2 GLY A 91 -10.681 13.200 0.969 1.00 0.36 H new ATOM 0 HA3 GLY A 91 -10.178 14.707 1.710 1.00 0.36 H new ATOM 1430 N LEU A 92 -7.886 13.475 2.811 1.00 -0.73 N ATOM 1431 CA LEU A 92 -6.505 12.981 2.963 1.00 0.36 C ATOM 1432 C LEU A 92 -6.492 11.485 3.331 1.00 0.57 C ATOM 1433 O LEU A 92 -5.483 10.808 3.151 1.00 -0.57 O ATOM 1434 CB LEU A 92 -5.749 13.808 4.028 1.00 0.00 C ATOM 1435 CG LEU A 92 -4.237 13.466 4.174 1.00 0.00 C ATOM 1436 CD1 LEU A 92 -3.319 14.553 3.602 1.00 0.00 C ATOM 1437 CD2 LEU A 92 -3.874 13.210 5.643 1.00 0.00 C ATOM 0 H LEU A 92 -8.182 14.088 3.571 1.00 -0.73 H new ATOM 0 HA LEU A 92 -5.996 13.098 2.006 1.00 0.36 H new ATOM 0 HB2 LEU A 92 -5.845 14.865 3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.234 13.661 4.993 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.075 12.560 3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.278 14.257 3.734 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.528 14.684 2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.498 15.492 4.125 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.813 12.973 5.720 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.090 14.101 6.232 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.461 12.373 6.022 1.00 0.00 H new ATOM 1449 N GLY A 93 -7.597 10.941 3.858 1.00 -0.73 N ATOM 1450 CA GLY A 93 -7.688 9.522 4.157 1.00 0.36 C ATOM 1451 C GLY A 93 -7.317 8.683 2.950 1.00 0.57 C ATOM 1452 O GLY A 93 -7.509 9.080 1.797 1.00 -0.57 O ATOM 0 H GLY A 93 -8.438 11.472 4.084 1.00 -0.73 H new ATOM 0 HA2 GLY A 93 -7.027 9.280 4.989 1.00 0.36 H new ATOM 0 HA3 GLY A 93 -8.702 9.279 4.475 1.00 0.36 H new ATOM 1456 N GLY A 94 -6.749 7.515 3.222 1.00 -0.73 N ATOM 1457 CA GLY A 94 -6.208 6.577 2.247 1.00 0.36 C ATOM 1458 C GLY A 94 -4.846 6.957 1.677 1.00 0.57 C ATOM 1459 O GLY A 94 -4.071 6.034 1.398 1.00 -0.57 O ATOM 0 H GLY A 94 -6.648 7.179 4.180 1.00 -0.73 H new ATOM 0 HA2 GLY A 94 -6.129 5.595 2.714 1.00 0.36 H new ATOM 0 HA3 GLY A 94 -6.916 6.482 1.424 1.00 0.36 H new ATOM 1463 N ASP A 95 -4.575 8.254 1.550 1.00 -0.73 N ATOM 1464 CA ASP A 95 -3.515 8.725 0.661 1.00 0.36 C ATOM 1465 C ASP A 95 -2.159 8.305 1.207 1.00 0.57 C ATOM 1466 O ASP A 95 -1.999 8.039 2.400 1.00 -0.57 O ATOM 1467 CB ASP A 95 -3.615 10.256 0.466 1.00 0.06 C ATOM 1468 CG ASP A 95 -4.962 10.623 -0.159 1.00 0.66 C ATOM 1469 OD1 ASP A 95 -5.417 9.903 -1.033 1.00 -0.57 O ATOM 1470 OD2 ASP A 95 -5.667 11.669 0.262 1.00 -0.65 O ATOM 0 H ASP A 95 -5.071 8.993 2.048 1.00 -0.73 H new ATOM 0 HA ASP A 95 -3.634 8.268 -0.321 1.00 0.36 H new ATOM 0 HB2 ASP A 95 -3.502 10.760 1.426 1.00 0.06 H new ATOM 0 HB3 ASP A 95 -2.803 10.602 -0.173 1.00 0.06 H new ATOM 1476 N ALA A 96 -1.166 8.214 0.314 1.00 -0.73 N ATOM 1477 CA ALA A 96 0.115 7.606 0.640 1.00 0.36 C ATOM 1478 C ALA A 96 1.253 8.333 -0.053 1.00 0.57 C ATOM 1479 O ALA A 96 1.127 8.776 -1.199 1.00 -0.57 O ATOM 1480 CB ALA A 96 0.098 6.125 0.245 1.00 0.00 C ATOM 0 H ALA A 96 -1.233 8.558 -0.644 1.00 -0.73 H new ATOM 0 HA ALA A 96 0.277 7.685 1.715 1.00 0.36 H new ATOM 0 HB1 ALA A 96 1.059 5.672 0.490 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.695 5.612 0.790 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.082 6.036 -0.826 1.00 0.00 H new ATOM 1486 N HIS A 97 2.382 8.411 0.649 1.00 -0.73 N ATOM 1487 CA HIS A 97 3.571 9.093 0.181 1.00 0.36 C ATOM 1488 C HIS A 97 4.780 8.186 0.363 1.00 0.57 C ATOM 1489 O HIS A 97 4.762 7.275 1.190 1.00 -0.57 O ATOM 1490 CB HIS A 97 3.726 10.467 0.859 1.00 0.17 C ATOM 1491 CG HIS A 97 2.550 11.392 0.633 1.00 0.18 C ATOM 1492 ND1 HIS A 97 1.938 12.169 1.599 1.00 -0.70 N ATOM 1493 CD2 HIS A 97 1.858 11.551 -0.534 1.00 0.20 C ATOM 1494 CE1 HIS A 97 0.869 12.756 1.021 1.00 0.65 C ATOM 1495 NE2 HIS A 97 0.800 12.389 -0.272 1.00 -0.70 N ATOM 0 H HIS A 97 2.491 7.993 1.573 1.00 -0.73 H new ATOM 0 HA HIS A 97 3.482 9.304 -0.885 1.00 0.36 H new ATOM 0 HB2 HIS A 97 3.861 10.320 1.931 1.00 0.17 H new ATOM 0 HB3 HIS A 97 4.631 10.946 0.486 1.00 0.17 H new ATOM 0 HD2 HIS A 97 2.098 11.102 -1.486 1.00 0.20 H new ATOM 0 HE1 HIS A 97 0.176 13.418 1.519 1.00 0.65 H new ATOM 0 HE2 HIS A 97 0.087 12.681 -0.941 1.00 -0.70 H new ATOM 1504 N PHE A 98 5.833 8.453 -0.407 1.00 -0.73 N ATOM 1505 CA PHE A 98 7.015 7.612 -0.538 1.00 0.36 C ATOM 1506 C PHE A 98 8.251 8.515 -0.591 1.00 0.57 C ATOM 1507 O PHE A 98 8.193 9.610 -1.163 1.00 -0.57 O ATOM 1508 CB PHE A 98 6.892 6.827 -1.853 1.00 0.14 C ATOM 1509 CG PHE A 98 5.819 5.750 -1.905 1.00 -0.14 C ATOM 1510 CD1 PHE A 98 4.471 6.092 -2.137 1.00 -0.15 C ATOM 1511 CD2 PHE A 98 6.170 4.395 -1.747 1.00 -0.15 C ATOM 1512 CE1 PHE A 98 3.476 5.098 -2.135 1.00 -0.15 C ATOM 1513 CE2 PHE A 98 5.177 3.401 -1.763 1.00 -0.15 C ATOM 1514 CZ PHE A 98 3.830 3.755 -1.940 1.00 -0.15 C ATOM 0 H PHE A 98 5.885 9.296 -0.979 1.00 -0.73 H new ATOM 0 HA PHE A 98 7.104 6.923 0.302 1.00 0.36 H new ATOM 0 HB2 PHE A 98 6.701 7.537 -2.657 1.00 0.14 H new ATOM 0 HB3 PHE A 98 7.854 6.360 -2.062 1.00 0.14 H new ATOM 0 HD1 PHE A 98 4.201 7.122 -2.317 1.00 -0.15 H new ATOM 0 HD2 PHE A 98 7.206 4.119 -1.613 1.00 -0.15 H new ATOM 0 HE1 PHE A 98 2.441 5.368 -2.283 1.00 -0.15 H new ATOM 0 HE2 PHE A 98 5.450 2.364 -1.639 1.00 -0.15 H new ATOM 0 HZ PHE A 98 3.066 2.992 -1.926 1.00 -0.15 H new ATOM 1524 N ASP A 99 9.369 8.053 -0.030 1.00 -0.73 N ATOM 1525 CA ASP A 99 10.655 8.737 -0.146 1.00 0.36 C ATOM 1526 C ASP A 99 11.257 8.450 -1.520 1.00 0.57 C ATOM 1527 O ASP A 99 11.954 7.456 -1.690 1.00 -0.57 O ATOM 1528 CB ASP A 99 11.617 8.279 0.956 1.00 0.06 C ATOM 1529 CG ASP A 99 11.359 8.998 2.272 1.00 0.66 C ATOM 1530 OD1 ASP A 99 10.783 8.365 3.141 1.00 -0.57 O ATOM 1531 OD2 ASP A 99 11.792 10.253 2.352 1.00 -0.65 O ATOM 0 H ASP A 99 9.407 7.193 0.518 1.00 -0.73 H new ATOM 0 HA ASP A 99 10.496 9.809 -0.032 1.00 0.36 H new ATOM 0 HB2 ASP A 99 11.514 7.204 1.104 1.00 0.06 H new ATOM 0 HB3 ASP A 99 12.644 8.460 0.639 1.00 0.06 H new ATOM 1537 N GLU A 100 11.025 9.317 -2.510 1.00 -0.73 N ATOM 1538 CA GLU A 100 11.676 9.280 -3.827 1.00 0.36 C ATOM 1539 C GLU A 100 13.204 9.255 -3.692 1.00 0.57 C ATOM 1540 O GLU A 100 13.895 8.739 -4.568 1.00 -0.57 O ATOM 1541 CB GLU A 100 11.253 10.534 -4.611 1.00 0.00 C ATOM 1542 CG GLU A 100 11.837 10.652 -6.025 1.00 0.06 C ATOM 1543 CD GLU A 100 11.468 11.973 -6.710 1.00 0.66 C ATOM 1544 OE1 GLU A 100 11.216 12.946 -6.019 1.00 -0.57 O ATOM 1545 OE2 GLU A 100 11.498 12.005 -8.039 1.00 -0.65 O ATOM 0 H GLU A 100 10.361 10.086 -2.417 1.00 -0.73 H new ATOM 0 HA GLU A 100 11.370 8.373 -4.349 1.00 0.36 H new ATOM 0 HB2 GLU A 100 10.165 10.548 -4.683 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.546 11.415 -4.040 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.922 10.565 -5.974 1.00 0.06 H new ATOM 0 HG3 GLU A 100 11.479 9.820 -6.632 1.00 0.06 H new ATOM 1553 N ASP A 101 13.726 9.828 -2.600 1.00 -0.73 N ATOM 1554 CA ASP A 101 15.160 9.872 -2.360 1.00 0.36 C ATOM 1555 C ASP A 101 15.741 8.473 -2.134 1.00 0.57 C ATOM 1556 O ASP A 101 16.868 8.198 -2.550 1.00 -0.57 O ATOM 1557 CB ASP A 101 15.473 10.791 -1.175 1.00 0.06 C ATOM 1558 CG ASP A 101 16.821 11.474 -1.407 1.00 0.66 C ATOM 1559 OD1 ASP A 101 16.905 12.237 -2.355 1.00 -0.57 O ATOM 1560 OD2 ASP A 101 17.811 11.219 -0.556 1.00 -0.65 O ATOM 0 H ASP A 101 13.166 10.268 -1.869 1.00 -0.73 H new ATOM 0 HA ASP A 101 15.635 10.278 -3.253 1.00 0.36 H new ATOM 0 HB2 ASP A 101 14.688 11.539 -1.063 1.00 0.06 H new ATOM 0 HB3 ASP A 101 15.499 10.215 -0.250 1.00 0.06 H new ATOM 1566 N GLU A 102 14.961 7.575 -1.513 1.00 -0.73 N ATOM 1567 CA GLU A 102 15.349 6.183 -1.323 1.00 0.36 C ATOM 1568 C GLU A 102 15.250 5.496 -2.691 1.00 0.57 C ATOM 1569 O GLU A 102 14.310 5.730 -3.450 1.00 -0.57 O ATOM 1570 CB GLU A 102 14.435 5.496 -0.288 1.00 0.00 C ATOM 1571 CG GLU A 102 14.432 6.163 1.102 1.00 0.06 C ATOM 1572 CD GLU A 102 15.322 5.513 2.156 1.00 0.66 C ATOM 1573 OE1 GLU A 102 14.986 5.669 3.318 1.00 -0.57 O ATOM 1574 OE2 GLU A 102 16.463 4.929 1.801 1.00 -0.65 O ATOM 0 H GLU A 102 14.043 7.802 -1.130 1.00 -0.73 H new ATOM 0 HA GLU A 102 16.366 6.115 -0.936 1.00 0.36 H new ATOM 0 HB2 GLU A 102 13.416 5.483 -0.674 1.00 0.00 H new ATOM 0 HB3 GLU A 102 14.747 4.457 -0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 102 14.740 7.202 0.985 1.00 0.06 H new ATOM 0 HG3 GLU A 102 13.408 6.174 1.476 1.00 0.06 H new ATOM 1582 N ARG A 103 16.221 4.641 -3.026 1.00 -0.73 N ATOM 1583 CA ARG A 103 16.212 3.922 -4.300 1.00 0.36 C ATOM 1584 C ARG A 103 14.996 3.009 -4.364 1.00 0.57 C ATOM 1585 O ARG A 103 14.780 2.235 -3.432 1.00 -0.57 O ATOM 1586 CB ARG A 103 17.492 3.091 -4.450 1.00 0.00 C ATOM 1587 CG ARG A 103 18.630 3.938 -5.033 1.00 0.00 C ATOM 1588 CD ARG A 103 19.959 3.174 -4.982 1.00 0.33 C ATOM 1589 NE ARG A 103 20.574 3.251 -3.642 1.00 -0.84 N ATOM 1590 CZ ARG A 103 21.356 2.334 -3.051 1.00 1.20 C ATOM 1591 NH1 ARG A 103 21.586 1.152 -3.630 1.00 -0.97 N ATOM 1592 NH2 ARG A 103 21.915 2.608 -1.869 1.00 -0.97 N ATOM 0 H ARG A 103 17.023 4.431 -2.431 1.00 -0.73 H new ATOM 0 HA ARG A 103 16.165 4.646 -5.114 1.00 0.36 H new ATOM 0 HB2 ARG A 103 17.789 2.695 -3.479 1.00 0.00 H new ATOM 0 HB3 ARG A 103 17.301 2.236 -5.098 1.00 0.00 H new ATOM 0 HG2 ARG A 103 18.399 4.206 -6.064 1.00 0.00 H new ATOM 0 HG3 ARG A 103 18.719 4.870 -4.474 1.00 0.00 H new ATOM 0 HD2 ARG A 103 19.791 2.130 -5.247 1.00 0.33 H new ATOM 0 HD3 ARG A 103 20.645 3.585 -5.723 1.00 0.33 H new ATOM 0 HE ARG A 103 20.383 4.097 -3.105 1.00 -0.84 H new ATOM 0 HH11 ARG A 103 21.165 0.936 -4.534 1.00 -0.97 H new ATOM 0 HH12 ARG A 103 22.183 0.465 -3.168 1.00 -0.97 H new ATOM 0 HH21 ARG A 103 21.746 3.509 -1.422 1.00 -0.97 H new ATOM 0 HH22 ARG A 103 22.510 1.916 -1.414 1.00 -0.97 H new ATOM 1606 N TRP A 104 14.285 3.017 -5.493 1.00 -0.73 N ATOM 1607 CA TRP A 104 13.120 2.171 -5.719 1.00 0.36 C ATOM 1608 C TRP A 104 13.387 1.244 -6.902 1.00 0.57 C ATOM 1609 O TRP A 104 13.995 1.664 -7.883 1.00 -0.57 O ATOM 1610 CB TRP A 104 11.880 3.030 -5.977 1.00 0.18 C ATOM 1611 CG TRP A 104 11.414 3.840 -4.811 1.00 -0.18 C ATOM 1612 CD1 TRP A 104 11.596 5.170 -4.658 1.00 -0.30 C ATOM 1613 CD2 TRP A 104 10.804 3.381 -3.564 1.00 0.00 C ATOM 1614 NE1 TRP A 104 11.136 5.558 -3.421 1.00 0.03 N ATOM 1615 CE2 TRP A 104 10.631 4.503 -2.704 1.00 -0.15 C ATOM 1616 CE3 TRP A 104 10.448 2.122 -3.036 1.00 -0.15 C ATOM 1617 CZ2 TRP A 104 10.123 4.394 -1.403 1.00 -0.15 C ATOM 1618 CZ3 TRP A 104 9.922 2.003 -1.736 1.00 -0.15 C ATOM 1619 CH2 TRP A 104 9.753 3.132 -0.918 1.00 -0.15 C ATOM 0 H TRP A 104 14.508 3.621 -6.284 1.00 -0.73 H new ATOM 0 HA TRP A 104 12.935 1.568 -4.830 1.00 0.36 H new ATOM 0 HB2 TRP A 104 12.091 3.705 -6.807 1.00 0.18 H new ATOM 0 HB3 TRP A 104 11.066 2.379 -6.295 1.00 0.18 H new ATOM 0 HD1 TRP A 104 12.035 5.827 -5.394 1.00 -0.30 H new ATOM 0 HE1 TRP A 104 11.167 6.518 -3.077 1.00 0.03 H new ATOM 0 HE3 TRP A 104 10.581 1.236 -3.639 1.00 -0.15 H new ATOM 0 HZ2 TRP A 104 10.018 5.271 -0.782 1.00 -0.15 H new ATOM 0 HZ3 TRP A 104 9.644 1.029 -1.362 1.00 -0.15 H new ATOM 0 HH2 TRP A 104 9.342 3.029 0.075 1.00 -0.15 H new ATOM 1630 N THR A 105 12.898 0.002 -6.837 1.00 -0.73 N ATOM 1631 CA THR A 105 13.027 -0.969 -7.920 1.00 0.36 C ATOM 1632 C THR A 105 11.727 -1.757 -8.100 1.00 0.57 C ATOM 1633 O THR A 105 10.983 -1.943 -7.138 1.00 -0.57 O ATOM 1634 CB THR A 105 14.257 -1.855 -7.671 1.00 0.28 C ATOM 1635 OG1 THR A 105 14.642 -2.455 -8.887 1.00 -0.68 O ATOM 1636 CG2 THR A 105 14.055 -2.951 -6.617 1.00 0.00 C ATOM 0 H THR A 105 12.398 -0.357 -6.024 1.00 -0.73 H new ATOM 0 HA THR A 105 13.192 -0.455 -8.867 1.00 0.36 H new ATOM 0 HB THR A 105 15.029 -1.195 -7.276 1.00 0.28 H new ATOM 0 HG1 THR A 105 15.620 -2.459 -8.954 1.00 -0.68 H new ATOM 0 HG21 THR A 105 14.975 -3.525 -6.509 1.00 0.00 H new ATOM 0 HG22 THR A 105 13.798 -2.494 -5.661 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.248 -3.614 -6.931 1.00 0.00 H new ATOM 1644 N ASP A 106 11.457 -2.229 -9.322 1.00 -0.73 N ATOM 1645 CA ASP A 106 10.260 -3.018 -9.639 1.00 0.36 C ATOM 1646 C ASP A 106 10.336 -4.385 -8.944 1.00 0.57 C ATOM 1647 O ASP A 106 9.332 -4.906 -8.459 1.00 -0.57 O ATOM 1648 CB ASP A 106 10.129 -3.237 -11.162 1.00 0.06 C ATOM 1649 CG ASP A 106 10.198 -1.952 -11.996 1.00 0.66 C ATOM 1650 OD1 ASP A 106 9.510 -1.022 -11.609 1.00 -0.57 O ATOM 1651 OD2 ASP A 106 11.047 -1.935 -13.019 1.00 -0.65 O ATOM 0 H ASP A 106 12.067 -2.074 -10.125 1.00 -0.73 H new ATOM 0 HA ASP A 106 9.390 -2.466 -9.284 1.00 0.36 H new ATOM 0 HB2 ASP A 106 10.921 -3.911 -11.489 1.00 0.06 H new ATOM 0 HB3 ASP A 106 9.182 -3.737 -11.365 1.00 0.06 H new ATOM 1657 N GLY A 107 11.550 -4.948 -8.906 1.00 -0.73 N ATOM 1658 CA GLY A 107 11.858 -6.250 -8.341 1.00 0.36 C ATOM 1659 C GLY A 107 13.292 -6.623 -8.705 1.00 0.57 C ATOM 1660 O GLY A 107 13.550 -7.014 -9.842 1.00 -0.57 O ATOM 0 H GLY A 107 12.373 -4.482 -9.287 1.00 -0.73 H new ATOM 0 HA2 GLY A 107 11.738 -6.228 -7.258 1.00 0.36 H new ATOM 0 HA3 GLY A 107 11.165 -7.000 -8.723 1.00 0.36 H new ATOM 1664 N SER A 108 14.206 -6.454 -7.742 1.00 -0.73 N ATOM 1665 CA SER A 108 15.638 -6.743 -7.833 1.00 0.36 C ATOM 1666 C SER A 108 16.204 -6.880 -6.408 1.00 0.57 C ATOM 1667 O SER A 108 15.521 -6.548 -5.439 1.00 -0.57 O ATOM 1668 CB SER A 108 16.364 -5.601 -8.566 1.00 0.28 C ATOM 1669 OG SER A 108 16.502 -5.875 -9.943 1.00 -0.68 O ATOM 0 H SER A 108 13.948 -6.090 -6.825 1.00 -0.73 H new ATOM 0 HA SER A 108 15.789 -7.668 -8.389 1.00 0.36 H new ATOM 0 HB2 SER A 108 15.810 -4.672 -8.433 1.00 0.28 H new ATOM 0 HB3 SER A 108 17.349 -5.451 -8.123 1.00 0.28 H new ATOM 0 HG SER A 108 15.683 -6.297 -10.276 1.00 -0.68 H new ATOM 1675 N SER A 109 17.461 -7.340 -6.296 1.00 -0.73 N ATOM 1676 CA SER A 109 18.201 -7.490 -5.033 1.00 0.36 C ATOM 1677 C SER A 109 18.605 -6.163 -4.371 1.00 0.57 C ATOM 1678 O SER A 109 18.710 -6.107 -3.142 1.00 -0.57 O ATOM 1679 CB SER A 109 19.506 -8.257 -5.301 1.00 0.28 C ATOM 1680 OG SER A 109 19.394 -9.621 -4.973 1.00 -0.68 O ATOM 0 H SER A 109 18.007 -7.627 -7.108 1.00 -0.73 H new ATOM 0 HA SER A 109 17.520 -8.011 -4.360 1.00 0.36 H new ATOM 0 HB2 SER A 109 19.775 -8.158 -6.353 1.00 0.28 H new ATOM 0 HB3 SER A 109 20.314 -7.810 -4.722 1.00 0.28 H new ATOM 0 HG SER A 109 20.243 -10.073 -5.159 1.00 -0.68 H new ATOM 1686 N LEU A 110 18.912 -5.127 -5.166 1.00 -0.73 N ATOM 1687 CA LEU A 110 19.333 -3.822 -4.657 1.00 0.36 C ATOM 1688 C LEU A 110 18.264 -2.786 -5.000 1.00 0.57 C ATOM 1689 O LEU A 110 17.609 -2.866 -6.044 1.00 -0.57 O ATOM 1690 CB LEU A 110 20.675 -3.348 -5.251 1.00 0.00 C ATOM 1691 CG LEU A 110 21.901 -4.256 -4.999 1.00 0.00 C ATOM 1692 CD1 LEU A 110 22.392 -4.862 -6.320 1.00 0.00 C ATOM 1693 CD2 LEU A 110 23.055 -3.465 -4.363 1.00 0.00 C ATOM 0 H LEU A 110 18.874 -5.176 -6.184 1.00 -0.73 H new ATOM 0 HA LEU A 110 19.465 -3.927 -3.580 1.00 0.36 H new ATOM 0 HB2 LEU A 110 20.550 -3.235 -6.328 1.00 0.00 H new ATOM 0 HB3 LEU A 110 20.895 -2.359 -4.850 1.00 0.00 H new ATOM 0 HG LEU A 110 21.590 -5.047 -4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 110 23.256 -5.499 -6.129 1.00 0.00 H new ATOM 0 HD12 LEU A 110 21.594 -5.456 -6.767 1.00 0.00 H new ATOM 0 HD13 LEU A 110 22.675 -4.062 -7.004 1.00 0.00 H new ATOM 0 HD21 LEU A 110 23.903 -4.129 -4.197 1.00 0.00 H new ATOM 0 HD22 LEU A 110 23.352 -2.656 -5.030 1.00 0.00 H new ATOM 0 HD23 LEU A 110 22.729 -3.048 -3.410 1.00 0.00 H new ATOM 1705 N GLY A 111 18.155 -1.774 -4.135 1.00 -0.73 N ATOM 1706 CA GLY A 111 17.069 -0.809 -4.163 1.00 0.36 C ATOM 1707 C GLY A 111 15.861 -1.379 -3.426 1.00 0.57 C ATOM 1708 O GLY A 111 15.693 -2.595 -3.331 1.00 -0.57 O ATOM 0 H GLY A 111 18.830 -1.606 -3.389 1.00 -0.73 H new ATOM 0 HA2 GLY A 111 17.386 0.124 -3.697 1.00 0.36 H new ATOM 0 HA3 GLY A 111 16.802 -0.576 -5.194 1.00 0.36 H new ATOM 1712 N ILE A 112 15.021 -0.497 -2.886 1.00 -0.73 N ATOM 1713 CA ILE A 112 13.842 -0.907 -2.146 1.00 0.36 C ATOM 1714 C ILE A 112 12.789 -1.301 -3.178 1.00 0.57 C ATOM 1715 O ILE A 112 12.527 -0.567 -4.129 1.00 -0.57 O ATOM 1716 CB ILE A 112 13.371 0.227 -1.213 1.00 0.00 C ATOM 1717 CG1 ILE A 112 14.502 0.713 -0.267 1.00 0.00 C ATOM 1718 CG2 ILE A 112 12.113 -0.198 -0.431 1.00 0.00 C ATOM 1719 CD1 ILE A 112 15.085 -0.347 0.687 1.00 0.00 C ATOM 0 H ILE A 112 15.142 0.514 -2.952 1.00 -0.73 H new ATOM 0 HA ILE A 112 14.047 -1.757 -1.495 1.00 0.36 H new ATOM 0 HB ILE A 112 13.105 1.080 -1.838 1.00 0.00 H new ATOM 0 HG12 ILE A 112 15.313 1.110 -0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 112 14.119 1.540 0.331 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.798 0.616 0.221 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.312 -0.433 -1.131 1.00 0.00 H new ATOM 0 HG23 ILE A 112 12.339 -1.078 0.171 1.00 0.00 H new ATOM 0 HD11 ILE A 112 15.866 0.104 1.299 1.00 0.00 H new ATOM 0 HD12 ILE A 112 14.294 -0.730 1.332 1.00 0.00 H new ATOM 0 HD13 ILE A 112 15.508 -1.166 0.106 1.00 0.00 H new ATOM 1731 N ASN A 113 12.184 -2.474 -3.007 1.00 -0.73 N ATOM 1732 CA ASN A 113 11.142 -2.947 -3.900 1.00 0.36 C ATOM 1733 C ASN A 113 9.914 -2.031 -3.783 1.00 0.57 C ATOM 1734 O ASN A 113 9.216 -2.039 -2.764 1.00 -0.57 O ATOM 1735 CB ASN A 113 10.853 -4.423 -3.614 1.00 0.06 C ATOM 1736 CG ASN A 113 9.923 -5.008 -4.669 1.00 0.57 C ATOM 1737 OD1 ASN A 113 8.883 -4.439 -4.957 1.00 -0.57 O ATOM 1738 ND2 ASN A 113 10.266 -6.128 -5.281 1.00 -0.80 N ATOM 0 H ASN A 113 12.405 -3.118 -2.247 1.00 -0.73 H new ATOM 0 HA ASN A 113 11.462 -2.897 -4.941 1.00 0.36 H new ATOM 0 HB2 ASN A 113 11.787 -4.984 -3.596 1.00 0.06 H new ATOM 0 HB3 ASN A 113 10.401 -4.525 -2.628 1.00 0.06 H new ATOM 0 HD21 ASN A 113 9.660 -6.523 -6.000 1.00 -0.80 H new ATOM 0 HD22 ASN A 113 11.137 -6.598 -5.034 1.00 -0.80 H new ATOM 1745 N PHE A 114 9.674 -1.243 -4.837 1.00 -0.73 N ATOM 1746 CA PHE A 114 8.540 -0.341 -4.970 1.00 0.36 C ATOM 1747 C PHE A 114 7.254 -1.134 -4.801 1.00 0.57 C ATOM 1748 O PHE A 114 6.353 -0.671 -4.118 1.00 -0.57 O ATOM 1749 CB PHE A 114 8.573 0.365 -6.344 1.00 0.14 C ATOM 1750 CG PHE A 114 7.596 1.525 -6.535 1.00 -0.14 C ATOM 1751 CD1 PHE A 114 6.204 1.323 -6.445 1.00 -0.15 C ATOM 1752 CD2 PHE A 114 8.066 2.816 -6.853 1.00 -0.15 C ATOM 1753 CE1 PHE A 114 5.302 2.375 -6.643 1.00 -0.15 C ATOM 1754 CE2 PHE A 114 7.164 3.868 -7.081 1.00 -0.15 C ATOM 1755 CZ PHE A 114 5.784 3.641 -6.985 1.00 -0.15 C ATOM 0 H PHE A 114 10.292 -1.220 -5.648 1.00 -0.73 H new ATOM 0 HA PHE A 114 8.591 0.428 -4.199 1.00 0.36 H new ATOM 0 HB2 PHE A 114 9.583 0.738 -6.512 1.00 0.14 H new ATOM 0 HB3 PHE A 114 8.375 -0.379 -7.115 1.00 0.14 H new ATOM 0 HD1 PHE A 114 5.826 0.337 -6.219 1.00 -0.15 H new ATOM 0 HD2 PHE A 114 9.128 2.997 -6.922 1.00 -0.15 H new ATOM 0 HE1 PHE A 114 4.241 2.209 -6.532 1.00 -0.15 H new ATOM 0 HE2 PHE A 114 7.533 4.852 -7.330 1.00 -0.15 H new ATOM 0 HZ PHE A 114 5.091 4.447 -7.176 1.00 -0.15 H new ATOM 1765 N LEU A 115 7.148 -2.317 -5.411 1.00 -0.73 N ATOM 1766 CA LEU A 115 5.913 -3.091 -5.425 1.00 0.36 C ATOM 1767 C LEU A 115 5.567 -3.636 -4.045 1.00 0.57 C ATOM 1768 O LEU A 115 4.393 -3.675 -3.668 1.00 -0.57 O ATOM 1769 CB LEU A 115 6.056 -4.262 -6.415 1.00 0.00 C ATOM 1770 CG LEU A 115 4.701 -4.754 -6.949 1.00 0.00 C ATOM 1771 CD1 LEU A 115 4.004 -3.608 -7.672 1.00 0.00 C ATOM 1772 CD2 LEU A 115 4.908 -5.918 -7.922 1.00 0.00 C ATOM 0 H LEU A 115 7.919 -2.762 -5.908 1.00 -0.73 H new ATOM 0 HA LEU A 115 5.106 -2.427 -5.734 1.00 0.36 H new ATOM 0 HB2 LEU A 115 6.681 -3.951 -7.252 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.570 -5.088 -5.923 1.00 0.00 H new ATOM 0 HG LEU A 115 4.089 -5.095 -6.114 1.00 0.00 H new ATOM 0 HD11 LEU A 115 3.042 -3.950 -8.054 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.846 -2.782 -6.978 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.624 -3.271 -8.502 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.941 -6.258 -8.294 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.523 -5.587 -8.759 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.408 -6.738 -7.407 1.00 0.00 H new ATOM 1784 N TYR A 116 6.593 -4.065 -3.306 1.00 -0.73 N ATOM 1785 CA TYR A 116 6.447 -4.554 -1.944 1.00 0.36 C ATOM 1786 C TYR A 116 5.975 -3.403 -1.054 1.00 0.57 C ATOM 1787 O TYR A 116 5.013 -3.561 -0.297 1.00 -0.57 O ATOM 1788 CB TYR A 116 7.784 -5.170 -1.486 1.00 0.14 C ATOM 1789 CG TYR A 116 7.708 -6.211 -0.381 1.00 -0.14 C ATOM 1790 CD1 TYR A 116 6.858 -7.316 -0.542 1.00 -0.15 C ATOM 1791 CD2 TYR A 116 8.575 -6.174 0.728 1.00 -0.15 C ATOM 1792 CE1 TYR A 116 6.865 -8.375 0.380 1.00 -0.15 C ATOM 1793 CE2 TYR A 116 8.603 -7.240 1.647 1.00 -0.15 C ATOM 1794 CZ TYR A 116 7.757 -8.353 1.470 1.00 0.08 C ATOM 1795 OH TYR A 116 7.832 -9.419 2.314 1.00 -0.53 O ATOM 0 H TYR A 116 7.555 -4.080 -3.645 1.00 -0.73 H new ATOM 0 HA TYR A 116 5.695 -5.340 -1.878 1.00 0.36 H new ATOM 0 HB2 TYR A 116 8.264 -5.626 -2.352 1.00 0.14 H new ATOM 0 HB3 TYR A 116 8.434 -4.362 -1.150 1.00 0.14 H new ATOM 0 HD1 TYR A 116 6.188 -7.352 -1.388 1.00 -0.15 H new ATOM 0 HD2 TYR A 116 9.223 -5.322 0.874 1.00 -0.15 H new ATOM 0 HE1 TYR A 116 6.187 -9.206 0.254 1.00 -0.15 H new ATOM 0 HE2 TYR A 116 9.276 -7.205 2.491 1.00 -0.15 H new ATOM 0 HH TYR A 116 8.769 -9.681 2.427 1.00 -0.53 H new ATOM 1805 N ALA A 117 6.584 -2.220 -1.218 1.00 -0.73 N ATOM 1806 CA ALA A 117 6.160 -1.016 -0.521 1.00 0.36 C ATOM 1807 C ALA A 117 4.743 -0.620 -0.916 1.00 0.57 C ATOM 1808 O ALA A 117 3.901 -0.427 -0.045 1.00 -0.57 O ATOM 1809 CB ALA A 117 7.152 0.113 -0.804 1.00 0.00 C ATOM 0 H ALA A 117 7.382 -2.080 -1.838 1.00 -0.73 H new ATOM 0 HA ALA A 117 6.148 -1.214 0.551 1.00 0.36 H new ATOM 0 HB1 ALA A 117 6.835 1.016 -0.282 1.00 0.00 H new ATOM 0 HB2 ALA A 117 8.143 -0.178 -0.456 1.00 0.00 H new ATOM 0 HB3 ALA A 117 7.186 0.307 -1.876 1.00 0.00 H new ATOM 1815 N ALA A 118 4.447 -0.538 -2.213 1.00 -0.73 N ATOM 1816 CA ALA A 118 3.144 -0.139 -2.705 1.00 0.36 C ATOM 1817 C ALA A 118 2.079 -1.087 -2.175 1.00 0.57 C ATOM 1818 O ALA A 118 1.125 -0.607 -1.581 1.00 -0.57 O ATOM 1819 CB ALA A 118 3.141 -0.055 -4.235 1.00 0.00 C ATOM 0 H ALA A 118 5.117 -0.750 -2.953 1.00 -0.73 H new ATOM 0 HA ALA A 118 2.910 0.860 -2.337 1.00 0.36 H new ATOM 0 HB1 ALA A 118 2.152 0.246 -4.581 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.878 0.679 -4.561 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.390 -1.030 -4.653 1.00 0.00 H new ATOM 1825 N THR A 119 2.247 -2.409 -2.294 1.00 -0.73 N ATOM 1826 CA THR A 119 1.260 -3.361 -1.786 1.00 0.36 C ATOM 1827 C THR A 119 1.068 -3.217 -0.261 1.00 0.57 C ATOM 1828 O THR A 119 -0.063 -3.377 0.202 1.00 -0.57 O ATOM 1829 CB THR A 119 1.641 -4.796 -2.201 1.00 0.28 C ATOM 1830 OG1 THR A 119 1.900 -4.880 -3.588 1.00 -0.68 O ATOM 1831 CG2 THR A 119 0.534 -5.816 -1.920 1.00 0.00 C ATOM 0 H THR A 119 3.057 -2.841 -2.738 1.00 -0.73 H new ATOM 0 HA THR A 119 0.293 -3.135 -2.236 1.00 0.36 H new ATOM 0 HB THR A 119 2.525 -5.027 -1.607 1.00 0.28 H new ATOM 0 HG1 THR A 119 2.787 -4.510 -3.778 1.00 -0.68 H new ATOM 0 HG21 THR A 119 0.863 -6.806 -2.234 1.00 0.00 H new ATOM 0 HG22 THR A 119 0.313 -5.829 -0.853 1.00 0.00 H new ATOM 0 HG23 THR A 119 -0.364 -5.540 -2.473 1.00 0.00 H new ATOM 1839 N HIS A 120 2.118 -2.868 0.506 1.00 -0.73 N ATOM 1840 CA HIS A 120 1.996 -2.529 1.928 1.00 0.36 C ATOM 1841 C HIS A 120 1.148 -1.257 2.094 1.00 0.57 C ATOM 1842 O HIS A 120 0.126 -1.288 2.780 1.00 -0.57 O ATOM 1843 CB HIS A 120 3.405 -2.394 2.554 1.00 0.17 C ATOM 1844 CG HIS A 120 3.455 -2.153 4.048 1.00 0.18 C ATOM 1845 ND1 HIS A 120 4.329 -2.743 4.946 1.00 -0.70 N ATOM 1846 CD2 HIS A 120 2.729 -1.237 4.751 1.00 0.20 C ATOM 1847 CE1 HIS A 120 4.116 -2.194 6.158 1.00 0.65 C ATOM 1848 NE2 HIS A 120 3.124 -1.296 6.063 1.00 -0.70 N ATOM 0 H HIS A 120 3.073 -2.814 0.153 1.00 -0.73 H new ATOM 0 HA HIS A 120 1.480 -3.327 2.462 1.00 0.36 H new ATOM 0 HB2 HIS A 120 3.965 -3.303 2.335 1.00 0.17 H new ATOM 0 HB3 HIS A 120 3.923 -1.573 2.058 1.00 0.17 H new ATOM 0 HD1 HIS A 120 5.014 -3.467 4.728 1.00 -0.70 H new ATOM 0 HD2 HIS A 120 1.974 -0.580 4.345 1.00 0.20 H new ATOM 0 HE1 HIS A 120 4.657 -2.438 7.061 1.00 0.65 H new ATOM 1857 N GLU A 121 1.563 -0.137 1.490 1.00 -0.73 N ATOM 1858 CA GLU A 121 0.939 1.172 1.699 1.00 0.36 C ATOM 1859 C GLU A 121 -0.510 1.185 1.194 1.00 0.57 C ATOM 1860 O GLU A 121 -1.414 1.670 1.881 1.00 -0.57 O ATOM 1861 CB GLU A 121 1.759 2.271 0.996 1.00 0.00 C ATOM 1862 CG GLU A 121 3.205 2.462 1.488 1.00 0.06 C ATOM 1863 CD GLU A 121 3.348 2.356 3.005 1.00 0.66 C ATOM 1864 OE1 GLU A 121 3.022 3.322 3.675 1.00 -0.57 O ATOM 1865 OE2 GLU A 121 3.764 1.206 3.527 1.00 -0.65 O ATOM 0 H GLU A 121 2.347 -0.115 0.838 1.00 -0.73 H new ATOM 0 HA GLU A 121 0.923 1.370 2.771 1.00 0.36 H new ATOM 0 HB2 GLU A 121 1.787 2.048 -0.071 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.231 3.218 1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.843 1.714 1.017 1.00 0.06 H new ATOM 0 HG3 GLU A 121 3.565 3.438 1.164 1.00 0.06 H new ATOM 1873 N LEU A 122 -0.744 0.599 0.017 1.00 -0.73 N ATOM 1874 CA LEU A 122 -2.059 0.455 -0.596 1.00 0.36 C ATOM 1875 C LEU A 122 -2.973 -0.418 0.267 1.00 0.57 C ATOM 1876 O LEU A 122 -4.187 -0.217 0.250 1.00 -0.57 O ATOM 1877 CB LEU A 122 -1.946 -0.135 -2.011 1.00 0.00 C ATOM 1878 CG LEU A 122 -1.635 0.873 -3.143 1.00 0.00 C ATOM 1879 CD1 LEU A 122 -0.527 1.912 -2.898 1.00 0.00 C ATOM 1880 CD2 LEU A 122 -1.283 0.080 -4.408 1.00 0.00 C ATOM 0 H LEU A 122 0.004 0.200 -0.551 1.00 -0.73 H new ATOM 0 HA LEU A 122 -2.499 1.450 -0.670 1.00 0.36 H new ATOM 0 HB2 LEU A 122 -1.166 -0.896 -2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -2.882 -0.640 -2.248 1.00 0.00 H new ATOM 0 HG LEU A 122 -2.543 1.471 -3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -0.423 2.548 -3.777 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -0.788 2.526 -2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 122 0.416 1.400 -2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -1.060 0.771 -5.221 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.412 -0.546 -4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.127 -0.550 -4.689 1.00 0.00 H new ATOM 1892 N GLY A 123 -2.417 -1.347 1.055 1.00 -0.73 N ATOM 1893 CA GLY A 123 -3.181 -2.104 2.032 1.00 0.36 C ATOM 1894 C GLY A 123 -3.841 -1.187 3.052 1.00 0.57 C ATOM 1895 O GLY A 123 -5.059 -1.254 3.242 1.00 -0.57 O ATOM 0 H GLY A 123 -1.426 -1.588 1.027 1.00 -0.73 H new ATOM 0 HA2 GLY A 123 -3.944 -2.693 1.523 1.00 0.36 H new ATOM 0 HA3 GLY A 123 -2.524 -2.807 2.544 1.00 0.36 H new ATOM 1899 N HIS A 124 -3.066 -0.277 3.661 1.00 -0.73 N ATOM 1900 CA HIS A 124 -3.628 0.719 4.576 1.00 0.36 C ATOM 1901 C HIS A 124 -4.662 1.573 3.868 1.00 0.57 C ATOM 1902 O HIS A 124 -5.743 1.755 4.423 1.00 -0.57 O ATOM 1903 CB HIS A 124 -2.530 1.595 5.186 1.00 0.17 C ATOM 1904 CG HIS A 124 -1.587 0.804 6.049 1.00 0.18 C ATOM 1905 ND1 HIS A 124 -1.916 0.182 7.226 1.00 -0.70 N ATOM 1906 CD2 HIS A 124 -0.287 0.498 5.770 1.00 0.20 C ATOM 1907 CE1 HIS A 124 -0.832 -0.490 7.641 1.00 0.65 C ATOM 1908 NE2 HIS A 124 0.193 -0.320 6.795 1.00 -0.70 N ATOM 0 H HIS A 124 -2.056 -0.213 3.536 1.00 -0.73 H new ATOM 0 HA HIS A 124 -4.119 0.185 5.389 1.00 0.36 H new ATOM 0 HB2 HIS A 124 -1.969 2.080 4.387 1.00 0.17 H new ATOM 0 HB3 HIS A 124 -2.987 2.386 5.780 1.00 0.17 H new ATOM 0 HD1 HIS A 124 -2.819 0.223 7.699 1.00 -0.70 H new ATOM 0 HD2 HIS A 124 0.272 0.830 4.908 1.00 0.20 H new ATOM 0 HE1 HIS A 124 -0.791 -1.089 8.539 1.00 0.65 H new ATOM 0 HE2 HIS A 124 1.132 -0.709 6.882 1.00 -0.70 H new ATOM 1917 N SER A 125 -4.347 1.980 2.646 1.00 -0.73 N ATOM 1918 CA SER A 125 -5.251 2.707 1.787 1.00 0.36 C ATOM 1919 C SER A 125 -6.599 2.024 1.584 1.00 0.57 C ATOM 1920 O SER A 125 -7.630 2.683 1.597 1.00 -0.57 O ATOM 1921 CB SER A 125 -4.553 2.881 0.435 1.00 0.28 C ATOM 1922 OG SER A 125 -4.831 4.162 -0.101 1.00 -0.68 O ATOM 0 H SER A 125 -3.436 1.807 2.222 1.00 -0.73 H new ATOM 0 HA SER A 125 -5.476 3.660 2.266 1.00 0.36 H new ATOM 0 HB2 SER A 125 -3.477 2.755 0.555 1.00 0.28 H new ATOM 0 HB3 SER A 125 -4.889 2.109 -0.257 1.00 0.28 H new ATOM 0 HG SER A 125 -4.489 4.852 0.506 1.00 -0.68 H new ATOM 1928 N LEU A 126 -6.605 0.693 1.466 1.00 -0.73 N ATOM 1929 CA LEU A 126 -7.820 -0.106 1.356 1.00 0.36 C ATOM 1930 C LEU A 126 -8.652 -0.021 2.645 1.00 0.57 C ATOM 1931 O LEU A 126 -9.871 0.160 2.579 1.00 -0.57 O ATOM 1932 CB LEU A 126 -7.430 -1.571 1.049 1.00 0.00 C ATOM 1933 CG LEU A 126 -8.369 -2.339 0.103 1.00 0.00 C ATOM 1934 CD1 LEU A 126 -9.844 -2.236 0.510 1.00 0.00 C ATOM 1935 CD2 LEU A 126 -8.170 -1.882 -1.350 1.00 0.00 C ATOM 0 H LEU A 126 -5.751 0.136 1.444 1.00 -0.73 H new ATOM 0 HA LEU A 126 -8.436 0.283 0.545 1.00 0.36 H new ATOM 0 HB2 LEU A 126 -6.429 -1.576 0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.373 -2.115 1.992 1.00 0.00 H new ATOM 0 HG LEU A 126 -8.099 -3.392 0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -10.456 -2.798 -0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -9.975 -2.647 1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -10.151 -1.190 0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -8.844 -2.438 -2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.386 -0.816 -1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -7.139 -2.067 -1.652 1.00 0.00 H new ATOM 1947 N GLY A 127 -8.001 -0.141 3.813 1.00 -0.73 N ATOM 1948 CA GLY A 127 -8.667 -0.108 5.114 1.00 0.36 C ATOM 1949 C GLY A 127 -7.991 -0.957 6.189 1.00 0.57 C ATOM 1950 O GLY A 127 -8.694 -1.657 6.918 1.00 -0.57 O ATOM 0 H GLY A 127 -6.990 -0.264 3.876 1.00 -0.73 H new ATOM 0 HA2 GLY A 127 -8.713 0.925 5.459 1.00 0.36 H new ATOM 0 HA3 GLY A 127 -9.695 -0.449 4.991 1.00 0.36 H new ATOM 1954 N MET A 128 -6.657 -0.922 6.298 1.00 -0.73 N ATOM 1955 CA MET A 128 -5.901 -1.782 7.216 1.00 0.36 C ATOM 1956 C MET A 128 -5.078 -0.936 8.181 1.00 0.57 C ATOM 1957 O MET A 128 -4.621 0.153 7.832 1.00 -0.57 O ATOM 1958 CB MET A 128 -4.976 -2.736 6.432 1.00 0.00 C ATOM 1959 CG MET A 128 -5.437 -4.197 6.417 1.00 0.23 C ATOM 1960 SD MET A 128 -7.113 -4.545 5.812 1.00 -0.46 S ATOM 1961 CE MET A 128 -7.024 -3.795 4.163 1.00 0.23 C ATOM 0 H MET A 128 -6.070 -0.294 5.750 1.00 -0.73 H new ATOM 0 HA MET A 128 -6.613 -2.378 7.787 1.00 0.36 H new ATOM 0 HB2 MET A 128 -4.897 -2.382 5.404 1.00 0.00 H new ATOM 0 HB3 MET A 128 -3.976 -2.688 6.863 1.00 0.00 H new ATOM 0 HG2 MET A 128 -4.735 -4.764 5.806 1.00 0.23 H new ATOM 0 HG3 MET A 128 -5.360 -4.584 7.433 1.00 0.23 H new ATOM 0 HE1 MET A 128 -7.542 -4.431 3.445 1.00 0.23 H new ATOM 0 HE2 MET A 128 -7.496 -2.813 4.184 1.00 0.23 H new ATOM 0 HE3 MET A 128 -5.980 -3.690 3.867 1.00 0.23 H new ATOM 1971 N GLY A 129 -4.837 -1.462 9.386 1.00 -0.73 N ATOM 1972 CA GLY A 129 -4.062 -0.768 10.407 1.00 0.36 C ATOM 1973 C GLY A 129 -2.613 -1.223 10.471 1.00 0.57 C ATOM 1974 O GLY A 129 -1.750 -0.354 10.548 1.00 -0.57 O ATOM 0 H GLY A 129 -5.175 -2.380 9.676 1.00 -0.73 H new ATOM 0 HA2 GLY A 129 -4.091 0.304 10.210 1.00 0.36 H new ATOM 0 HA3 GLY A 129 -4.529 -0.927 11.379 1.00 0.36 H new ATOM 1978 N HIS A 130 -2.363 -2.542 10.398 1.00 -0.73 N ATOM 1979 CA HIS A 130 -1.080 -3.247 10.521 1.00 0.36 C ATOM 1980 C HIS A 130 -1.327 -4.742 10.773 1.00 0.57 C ATOM 1981 O HIS A 130 -2.480 -5.174 10.864 1.00 -0.57 O ATOM 1982 CB HIS A 130 -0.147 -2.616 11.585 1.00 0.17 C ATOM 1983 CG HIS A 130 0.858 -1.657 10.995 1.00 0.18 C ATOM 1984 ND1 HIS A 130 1.176 -0.403 11.463 1.00 -0.70 N ATOM 1985 CD2 HIS A 130 1.592 -1.858 9.860 1.00 0.20 C ATOM 1986 CE1 HIS A 130 2.074 0.135 10.621 1.00 0.65 C ATOM 1987 NE2 HIS A 130 2.355 -0.717 9.625 1.00 -0.70 N ATOM 0 H HIS A 130 -3.126 -3.200 10.237 1.00 -0.73 H new ATOM 0 HA HIS A 130 -0.548 -3.141 9.576 1.00 0.36 H new ATOM 0 HB2 HIS A 130 -0.752 -2.091 12.324 1.00 0.17 H new ATOM 0 HB3 HIS A 130 0.383 -3.410 12.112 1.00 0.17 H new ATOM 0 HD2 HIS A 130 1.582 -2.749 9.250 1.00 0.20 H new ATOM 0 HE1 HIS A 130 2.509 1.117 10.731 1.00 0.65 H new ATOM 0 HE2 HIS A 130 2.999 -0.561 8.850 1.00 -0.70 H new ATOM 1996 N SER A 131 -0.236 -5.506 10.899 1.00 -0.73 N ATOM 1997 CA SER A 131 -0.206 -6.942 11.136 1.00 0.36 C ATOM 1998 C SER A 131 1.031 -7.298 11.983 1.00 0.57 C ATOM 1999 O SER A 131 1.848 -6.425 12.276 1.00 -0.57 O ATOM 2000 CB SER A 131 -0.078 -7.691 9.807 1.00 0.28 C ATOM 2001 OG SER A 131 -0.886 -7.235 8.739 1.00 -0.68 O ATOM 0 H SER A 131 0.701 -5.109 10.833 1.00 -0.73 H new ATOM 0 HA SER A 131 -1.126 -7.225 11.647 1.00 0.36 H new ATOM 0 HB2 SER A 131 0.964 -7.644 9.489 1.00 0.28 H new ATOM 0 HB3 SER A 131 -0.310 -8.741 9.985 1.00 0.28 H new ATOM 0 HG SER A 131 -0.686 -7.755 7.932 1.00 -0.68 H new ATOM 2007 N SER A 132 1.210 -8.585 12.317 1.00 -0.73 N ATOM 2008 CA SER A 132 2.347 -9.089 13.080 1.00 0.36 C ATOM 2009 C SER A 132 2.710 -10.509 12.608 1.00 0.57 C ATOM 2010 O SER A 132 2.292 -11.495 13.212 1.00 -0.57 O ATOM 2011 CB SER A 132 2.040 -9.010 14.587 1.00 0.28 C ATOM 2012 OG SER A 132 0.705 -9.371 14.896 1.00 -0.68 O ATOM 0 H SER A 132 0.549 -9.316 12.055 1.00 -0.73 H new ATOM 0 HA SER A 132 3.225 -8.468 12.904 1.00 0.36 H new ATOM 0 HB2 SER A 132 2.723 -9.666 15.127 1.00 0.28 H new ATOM 0 HB3 SER A 132 2.228 -7.995 14.939 1.00 0.28 H new ATOM 0 HG SER A 132 0.564 -9.305 15.864 1.00 -0.68 H new ATOM 2018 N ASP A 133 3.467 -10.619 11.507 1.00 -0.73 N ATOM 2019 CA ASP A 133 3.800 -11.895 10.863 1.00 0.36 C ATOM 2020 C ASP A 133 5.205 -11.774 10.252 1.00 0.57 C ATOM 2021 O ASP A 133 5.541 -10.686 9.786 1.00 -0.57 O ATOM 2022 CB ASP A 133 2.760 -12.169 9.764 1.00 0.06 C ATOM 2023 CG ASP A 133 2.361 -13.632 9.648 1.00 0.66 C ATOM 2024 OD1 ASP A 133 1.946 -14.186 10.652 1.00 -0.57 O ATOM 2025 OD2 ASP A 133 2.456 -14.170 8.435 1.00 -0.65 O ATOM 0 H ASP A 133 3.871 -9.811 11.033 1.00 -0.73 H new ATOM 0 HA ASP A 133 3.788 -12.715 11.581 1.00 0.36 H new ATOM 0 HB2 ASP A 133 1.869 -11.574 9.963 1.00 0.06 H new ATOM 0 HB3 ASP A 133 3.160 -11.834 8.807 1.00 0.06 H new ATOM 2031 N PRO A 134 6.041 -12.828 10.201 1.00 -0.66 N ATOM 2032 CA PRO A 134 7.436 -12.680 9.781 1.00 0.36 C ATOM 2033 C PRO A 134 7.549 -12.277 8.306 1.00 0.57 C ATOM 2034 O PRO A 134 8.445 -11.522 7.929 1.00 -0.57 O ATOM 2035 CB PRO A 134 8.103 -14.033 10.056 1.00 0.00 C ATOM 2036 CG PRO A 134 6.949 -15.036 10.111 1.00 0.00 C ATOM 2037 CD PRO A 134 5.716 -14.214 10.496 1.00 0.30 C ATOM 0 HA PRO A 134 7.929 -11.879 10.332 1.00 0.36 H new ATOM 0 HB2 PRO A 134 8.813 -14.290 9.270 1.00 0.00 H new ATOM 0 HB3 PRO A 134 8.658 -14.017 10.994 1.00 0.00 H new ATOM 0 HG2 PRO A 134 6.809 -15.527 9.148 1.00 0.00 H new ATOM 0 HG3 PRO A 134 7.144 -15.819 10.843 1.00 0.00 H new ATOM 0 HD2 PRO A 134 4.842 -14.537 9.931 1.00 0.30 H new ATOM 0 HD3 PRO A 134 5.478 -14.341 11.552 1.00 0.30 H new ATOM 2045 N ASN A 135 6.600 -12.739 7.487 1.00 -0.73 N ATOM 2046 CA ASN A 135 6.578 -12.551 6.040 1.00 0.36 C ATOM 2047 C ASN A 135 5.341 -11.722 5.655 1.00 0.57 C ATOM 2048 O ASN A 135 4.840 -11.854 4.530 1.00 -0.57 O ATOM 2049 CB ASN A 135 6.596 -13.920 5.326 1.00 0.06 C ATOM 2050 CG ASN A 135 7.770 -14.841 5.673 1.00 0.57 C ATOM 2051 OD1 ASN A 135 8.721 -14.466 6.349 1.00 -0.57 O ATOM 2052 ND2 ASN A 135 7.726 -16.077 5.195 1.00 -0.80 N ATOM 0 H ASN A 135 5.800 -13.272 7.828 1.00 -0.73 H new ATOM 0 HA ASN A 135 7.467 -12.006 5.721 1.00 0.36 H new ATOM 0 HB2 ASN A 135 5.668 -14.442 5.560 1.00 0.06 H new ATOM 0 HB3 ASN A 135 6.601 -13.747 4.250 1.00 0.06 H new ATOM 0 HD21 ASN A 135 8.488 -16.726 5.389 1.00 -0.80 H new ATOM 0 HD22 ASN A 135 6.930 -16.379 4.634 1.00 -0.80 H new ATOM 2059 N ALA A 136 4.820 -10.930 6.608 1.00 -0.73 N ATOM 2060 CA ALA A 136 3.676 -10.054 6.403 1.00 0.36 C ATOM 2061 C ALA A 136 4.029 -9.004 5.367 1.00 0.57 C ATOM 2062 O ALA A 136 5.087 -8.375 5.471 1.00 -0.57 O ATOM 2063 CB ALA A 136 3.268 -9.345 7.708 1.00 0.00 C ATOM 0 H ALA A 136 5.196 -10.887 7.555 1.00 -0.73 H new ATOM 0 HA ALA A 136 2.839 -10.665 6.064 1.00 0.36 H new ATOM 0 HB1 ALA A 136 2.411 -8.699 7.518 1.00 0.00 H new ATOM 0 HB2 ALA A 136 3.002 -10.089 8.459 1.00 0.00 H new ATOM 0 HB3 ALA A 136 4.102 -8.744 8.072 1.00 0.00 H new ATOM 2069 N VAL A 137 3.114 -8.733 4.434 1.00 -0.73 N ATOM 2070 CA VAL A 137 3.307 -7.572 3.573 1.00 0.36 C ATOM 2071 C VAL A 137 3.135 -6.287 4.394 1.00 0.57 C ATOM 2072 O VAL A 137 3.870 -5.333 4.146 1.00 -0.57 O ATOM 2073 CB VAL A 137 2.452 -7.623 2.293 1.00 0.00 C ATOM 2074 CG1 VAL A 137 2.793 -8.856 1.442 1.00 0.00 C ATOM 2075 CG2 VAL A 137 0.952 -7.613 2.563 1.00 0.00 C ATOM 0 H VAL A 137 2.268 -9.276 4.261 1.00 -0.73 H new ATOM 0 HA VAL A 137 4.330 -7.582 3.196 1.00 0.36 H new ATOM 0 HB VAL A 137 2.700 -6.711 1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 137 2.172 -8.863 0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 137 3.844 -8.821 1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 137 2.605 -9.761 2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 137 0.412 -7.651 1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 137 0.685 -8.480 3.168 1.00 0.00 H new ATOM 0 HG23 VAL A 137 0.685 -6.701 3.097 1.00 0.00 H new ATOM 2085 N MET A 138 2.267 -6.268 5.428 1.00 -0.73 N ATOM 2086 CA MET A 138 2.128 -5.106 6.312 1.00 0.36 C ATOM 2087 C MET A 138 3.219 -5.036 7.397 1.00 0.57 C ATOM 2088 O MET A 138 3.112 -4.194 8.287 1.00 -0.57 O ATOM 2089 CB MET A 138 0.714 -5.031 6.939 1.00 0.00 C ATOM 2090 CG MET A 138 -0.033 -3.730 6.591 1.00 0.23 C ATOM 2091 SD MET A 138 -1.621 -3.944 5.744 1.00 -0.46 S ATOM 2092 CE MET A 138 -1.072 -4.845 4.275 1.00 0.23 C ATOM 0 H MET A 138 1.654 -7.048 5.666 1.00 -0.73 H new ATOM 0 HA MET A 138 2.266 -4.231 5.677 1.00 0.36 H new ATOM 0 HB2 MET A 138 0.126 -5.883 6.598 1.00 0.00 H new ATOM 0 HB3 MET A 138 0.799 -5.116 8.022 1.00 0.00 H new ATOM 0 HG2 MET A 138 -0.205 -3.173 7.512 1.00 0.23 H new ATOM 0 HG3 MET A 138 0.614 -3.117 5.963 1.00 0.23 H new ATOM 0 HE1 MET A 138 -1.175 -4.207 3.397 1.00 0.23 H new ATOM 0 HE2 MET A 138 -0.027 -5.133 4.394 1.00 0.23 H new ATOM 0 HE3 MET A 138 -1.682 -5.739 4.147 1.00 0.23 H new ATOM 2102 N TYR A 139 4.257 -5.884 7.385 1.00 -0.73 N ATOM 2103 CA TYR A 139 5.249 -5.855 8.461 1.00 0.36 C ATOM 2104 C TYR A 139 6.088 -4.566 8.402 1.00 0.57 C ATOM 2105 O TYR A 139 6.368 -4.081 7.300 1.00 -0.57 O ATOM 2106 CB TYR A 139 6.159 -7.093 8.410 1.00 0.14 C ATOM 2107 CG TYR A 139 6.608 -7.625 9.763 1.00 -0.14 C ATOM 2108 CD1 TYR A 139 5.679 -7.848 10.805 1.00 -0.15 C ATOM 2109 CD2 TYR A 139 7.963 -7.942 9.967 1.00 -0.15 C ATOM 2110 CE1 TYR A 139 6.105 -8.392 12.032 1.00 -0.15 C ATOM 2111 CE2 TYR A 139 8.395 -8.494 11.183 1.00 -0.15 C ATOM 2112 CZ TYR A 139 7.466 -8.737 12.216 1.00 0.08 C ATOM 2113 OH TYR A 139 7.887 -9.315 13.377 1.00 -0.53 O ATOM 0 H TYR A 139 4.427 -6.581 6.660 1.00 -0.73 H new ATOM 0 HA TYR A 139 4.710 -5.870 9.408 1.00 0.36 H new ATOM 0 HB2 TYR A 139 5.634 -7.888 7.881 1.00 0.14 H new ATOM 0 HB3 TYR A 139 7.044 -6.849 7.822 1.00 0.14 H new ATOM 0 HD1 TYR A 139 4.638 -7.600 10.659 1.00 -0.15 H new ATOM 0 HD2 TYR A 139 8.679 -7.759 9.179 1.00 -0.15 H new ATOM 0 HE1 TYR A 139 5.395 -8.546 12.831 1.00 -0.15 H new ATOM 0 HE2 TYR A 139 9.438 -8.733 11.328 1.00 -0.15 H new ATOM 0 HH TYR A 139 8.851 -9.484 13.328 1.00 -0.53 H new ATOM 2123 N PRO A 140 6.514 -4.003 9.550 1.00 -0.66 N ATOM 2124 CA PRO A 140 7.476 -2.915 9.565 1.00 0.36 C ATOM 2125 C PRO A 140 8.886 -3.422 9.217 1.00 0.57 C ATOM 2126 O PRO A 140 9.148 -4.627 9.241 1.00 -0.57 O ATOM 2127 CB PRO A 140 7.379 -2.310 10.969 1.00 0.00 C ATOM 2128 CG PRO A 140 6.930 -3.470 11.853 1.00 0.00 C ATOM 2129 CD PRO A 140 6.158 -4.392 10.908 1.00 0.30 C ATOM 0 HA PRO A 140 7.264 -2.157 8.811 1.00 0.36 H new ATOM 0 HB2 PRO A 140 8.339 -1.910 11.296 1.00 0.00 H new ATOM 0 HB3 PRO A 140 6.664 -1.488 10.999 1.00 0.00 H new ATOM 0 HG2 PRO A 140 7.782 -3.982 12.300 1.00 0.00 H new ATOM 0 HG3 PRO A 140 6.301 -3.124 12.673 1.00 0.00 H new ATOM 0 HD2 PRO A 140 6.416 -5.435 11.091 1.00 0.30 H new ATOM 0 HD3 PRO A 140 5.084 -4.296 11.068 1.00 0.30 H new ATOM 2137 N THR A 141 9.794 -2.484 8.920 1.00 -0.73 N ATOM 2138 CA THR A 141 11.178 -2.710 8.487 1.00 0.36 C ATOM 2139 C THR A 141 11.238 -3.396 7.113 1.00 0.57 C ATOM 2140 O THR A 141 11.670 -2.775 6.145 1.00 -0.57 O ATOM 2141 CB THR A 141 11.977 -3.458 9.583 1.00 0.28 C ATOM 2142 OG1 THR A 141 11.862 -2.783 10.823 1.00 -0.68 O ATOM 2143 CG2 THR A 141 13.465 -3.608 9.253 1.00 0.00 C ATOM 0 H THR A 141 9.569 -1.491 8.979 1.00 -0.73 H new ATOM 0 HA THR A 141 11.662 -1.743 8.352 1.00 0.36 H new ATOM 0 HB THR A 141 11.543 -4.456 9.638 1.00 0.28 H new ATOM 0 HG1 THR A 141 12.370 -3.267 11.507 1.00 -0.68 H new ATOM 0 HG21 THR A 141 13.965 -4.141 10.062 1.00 0.00 H new ATOM 0 HG22 THR A 141 13.577 -4.169 8.325 1.00 0.00 H new ATOM 0 HG23 THR A 141 13.913 -2.621 9.137 1.00 0.00 H new ATOM 2151 N TYR A 142 10.802 -4.657 7.020 1.00 -0.73 N ATOM 2152 CA TYR A 142 10.770 -5.497 5.824 1.00 0.36 C ATOM 2153 C TYR A 142 10.164 -6.845 6.228 1.00 0.57 C ATOM 2154 O TYR A 142 10.209 -7.212 7.407 1.00 -0.57 O ATOM 2155 CB TYR A 142 12.189 -5.745 5.260 1.00 0.14 C ATOM 2156 CG TYR A 142 12.530 -5.065 3.942 1.00 -0.14 C ATOM 2157 CD1 TYR A 142 11.619 -5.077 2.867 1.00 -0.15 C ATOM 2158 CD2 TYR A 142 13.816 -4.516 3.757 1.00 -0.15 C ATOM 2159 CE1 TYR A 142 11.985 -4.546 1.620 1.00 -0.15 C ATOM 2160 CE2 TYR A 142 14.184 -3.970 2.517 1.00 -0.15 C ATOM 2161 CZ TYR A 142 13.269 -3.989 1.446 1.00 0.08 C ATOM 2162 OH TYR A 142 13.624 -3.495 0.232 1.00 -0.53 O ATOM 0 H TYR A 142 10.438 -5.149 7.836 1.00 -0.73 H new ATOM 0 HA TYR A 142 10.185 -4.996 5.052 1.00 0.36 H new ATOM 0 HB2 TYR A 142 12.913 -5.421 6.007 1.00 0.14 H new ATOM 0 HB3 TYR A 142 12.321 -6.819 5.133 1.00 0.14 H new ATOM 0 HD1 TYR A 142 10.633 -5.497 3.003 1.00 -0.15 H new ATOM 0 HD2 TYR A 142 14.522 -4.516 4.574 1.00 -0.15 H new ATOM 0 HE1 TYR A 142 11.286 -4.564 0.797 1.00 -0.15 H new ATOM 0 HE2 TYR A 142 15.165 -3.537 2.385 1.00 -0.15 H new ATOM 0 HH TYR A 142 14.539 -3.146 0.276 1.00 -0.53 H new ATOM 2172 N GLY A 143 9.700 -7.618 5.239 1.00 -0.73 N ATOM 2173 CA GLY A 143 9.196 -8.966 5.444 1.00 0.36 C ATOM 2174 C GLY A 143 10.319 -9.963 5.180 1.00 0.57 C ATOM 2175 O GLY A 143 11.060 -9.824 4.206 1.00 -0.57 O ATOM 0 H GLY A 143 9.667 -7.315 4.266 1.00 -0.73 H new ATOM 0 HA2 GLY A 143 8.825 -9.078 6.463 1.00 0.36 H new ATOM 0 HA3 GLY A 143 8.357 -9.159 4.776 1.00 0.36 H new ATOM 2179 N ASN A 144 10.444 -10.967 6.053 1.00 -0.73 N ATOM 2180 CA ASN A 144 11.526 -11.957 6.030 1.00 0.36 C ATOM 2181 C ASN A 144 11.390 -12.945 4.863 1.00 0.57 C ATOM 2182 O ASN A 144 12.347 -13.661 4.566 1.00 -0.57 O ATOM 2183 CB ASN A 144 11.540 -12.735 7.362 1.00 0.06 C ATOM 2184 CG ASN A 144 12.899 -12.747 8.056 1.00 0.57 C ATOM 2185 OD1 ASN A 144 13.475 -11.697 8.348 1.00 -0.57 O ATOM 2186 ND2 ASN A 144 13.395 -13.930 8.397 1.00 -0.80 N ATOM 0 H ASN A 144 9.781 -11.118 6.813 1.00 -0.73 H new ATOM 0 HA ASN A 144 12.462 -11.415 5.894 1.00 0.36 H new ATOM 0 HB2 ASN A 144 10.803 -12.297 8.035 1.00 0.06 H new ATOM 0 HB3 ASN A 144 11.229 -13.763 7.175 1.00 0.06 H new ATOM 0 HD21 ASN A 144 14.273 -13.985 8.913 1.00 -0.80 H new ATOM 0 HD22 ASN A 144 12.898 -14.784 8.143 1.00 -0.80 H new ATOM 2193 N GLY A 145 10.198 -13.008 4.253 1.00 -0.73 N ATOM 2194 CA GLY A 145 9.864 -13.919 3.173 1.00 0.36 C ATOM 2195 C GLY A 145 10.720 -13.605 1.960 1.00 0.57 C ATOM 2196 O GLY A 145 11.713 -14.293 1.715 1.00 -0.57 O ATOM 0 H GLY A 145 9.420 -12.402 4.514 1.00 -0.73 H new ATOM 0 HA2 GLY A 145 10.027 -14.949 3.489 1.00 0.36 H new ATOM 0 HA3 GLY A 145 8.808 -13.827 2.919 1.00 0.36 H new ATOM 2200 N ASP A 146 10.341 -12.549 1.231 1.00 -0.73 N ATOM 2201 CA ASP A 146 11.069 -12.021 0.088 1.00 0.36 C ATOM 2202 C ASP A 146 10.374 -10.731 -0.390 1.00 0.57 C ATOM 2203 O ASP A 146 9.142 -10.688 -0.334 1.00 -0.57 O ATOM 2204 CB ASP A 146 11.038 -13.041 -1.053 1.00 0.06 C ATOM 2205 CG ASP A 146 12.116 -12.679 -2.050 1.00 0.66 C ATOM 2206 OD1 ASP A 146 11.768 -11.919 -2.939 1.00 -0.57 O ATOM 2207 OD2 ASP A 146 13.350 -13.147 -1.882 1.00 -0.65 O ATOM 0 H ASP A 146 9.489 -12.026 1.433 1.00 -0.73 H new ATOM 0 HA ASP A 146 12.101 -11.817 0.374 1.00 0.36 H new ATOM 0 HB2 ASP A 146 11.202 -14.047 -0.666 1.00 0.06 H new ATOM 0 HB3 ASP A 146 10.060 -13.040 -1.535 1.00 0.06 H new ATOM 2213 N PRO A 147 11.096 -9.698 -0.879 1.00 -0.66 N ATOM 2214 CA PRO A 147 10.469 -8.512 -1.454 1.00 0.36 C ATOM 2215 C PRO A 147 9.946 -8.685 -2.894 1.00 0.57 C ATOM 2216 O PRO A 147 9.065 -7.924 -3.284 1.00 -0.57 O ATOM 2217 CB PRO A 147 11.535 -7.415 -1.386 1.00 0.00 C ATOM 2218 CG PRO A 147 12.866 -8.164 -1.386 1.00 0.00 C ATOM 2219 CD PRO A 147 12.539 -9.522 -0.765 1.00 0.30 C ATOM 0 HA PRO A 147 9.569 -8.274 -0.887 1.00 0.36 H new ATOM 0 HB2 PRO A 147 11.462 -6.739 -2.238 1.00 0.00 H new ATOM 0 HB3 PRO A 147 11.422 -6.809 -0.487 1.00 0.00 H new ATOM 0 HG2 PRO A 147 13.260 -8.274 -2.396 1.00 0.00 H new ATOM 0 HG3 PRO A 147 13.621 -7.633 -0.806 1.00 0.00 H new ATOM 0 HD2 PRO A 147 13.069 -10.322 -1.283 1.00 0.30 H new ATOM 0 HD3 PRO A 147 12.852 -9.556 0.279 1.00 0.30 H new ATOM 2227 N GLN A 148 10.456 -9.636 -3.694 1.00 -0.73 N ATOM 2228 CA GLN A 148 10.012 -9.878 -5.078 1.00 0.36 C ATOM 2229 C GLN A 148 9.108 -11.121 -5.139 1.00 0.57 C ATOM 2230 O GLN A 148 8.078 -11.110 -5.814 1.00 -0.57 O ATOM 2231 CB GLN A 148 11.216 -9.965 -6.062 1.00 0.00 C ATOM 2232 CG GLN A 148 12.324 -10.945 -5.625 1.00 0.06 C ATOM 2233 CD GLN A 148 13.475 -11.194 -6.599 1.00 0.57 C ATOM 2234 OE1 GLN A 148 13.289 -11.631 -7.731 1.00 -0.57 O ATOM 2235 NE2 GLN A 148 14.706 -11.015 -6.124 1.00 -0.80 N ATOM 0 H GLN A 148 11.199 -10.267 -3.394 1.00 -0.73 H new ATOM 0 HA GLN A 148 9.418 -9.024 -5.405 1.00 0.36 H new ATOM 0 HB2 GLN A 148 10.847 -10.266 -7.043 1.00 0.00 H new ATOM 0 HB3 GLN A 148 11.650 -8.972 -6.175 1.00 0.00 H new ATOM 0 HG2 GLN A 148 12.748 -10.577 -4.691 1.00 0.06 H new ATOM 0 HG3 GLN A 148 11.856 -11.905 -5.406 1.00 0.06 H new ATOM 0 HE21 GLN A 148 14.841 -10.651 -5.181 1.00 -0.80 H new ATOM 0 HE22 GLN A 148 15.514 -11.242 -6.703 1.00 -0.80 H new ATOM 2244 N ASN A 149 9.429 -12.175 -4.382 1.00 -0.73 N ATOM 2245 CA ASN A 149 8.656 -13.414 -4.299 1.00 0.36 C ATOM 2246 C ASN A 149 7.566 -13.269 -3.228 1.00 0.57 C ATOM 2247 O ASN A 149 7.628 -13.868 -2.154 1.00 -0.57 O ATOM 2248 CB ASN A 149 9.610 -14.609 -4.104 1.00 0.06 C ATOM 2249 CG ASN A 149 8.913 -15.899 -3.670 1.00 0.57 C ATOM 2250 OD1 ASN A 149 8.037 -16.419 -4.356 1.00 -0.57 O ATOM 2251 ND2 ASN A 149 9.307 -16.451 -2.526 1.00 -0.80 N ATOM 0 H ASN A 149 10.261 -12.188 -3.792 1.00 -0.73 H new ATOM 0 HA ASN A 149 8.126 -13.616 -5.230 1.00 0.36 H new ATOM 0 HB2 ASN A 149 10.141 -14.792 -5.038 1.00 0.06 H new ATOM 0 HB3 ASN A 149 10.359 -14.344 -3.358 1.00 0.06 H new ATOM 0 HD21 ASN A 149 8.880 -17.320 -2.206 1.00 -0.80 H new ATOM 0 HD22 ASN A 149 10.036 -16.005 -1.969 1.00 -0.80 H new ATOM 2258 N PHE A 150 6.557 -12.442 -3.521 1.00 -0.73 N ATOM 2259 CA PHE A 150 5.440 -12.192 -2.619 1.00 0.36 C ATOM 2260 C PHE A 150 4.138 -12.050 -3.408 1.00 0.57 C ATOM 2261 O PHE A 150 4.142 -11.644 -4.574 1.00 -0.57 O ATOM 2262 CB PHE A 150 5.709 -10.937 -1.785 1.00 0.14 C ATOM 2263 CG PHE A 150 5.343 -9.638 -2.476 1.00 -0.14 C ATOM 2264 CD1 PHE A 150 6.120 -9.147 -3.541 1.00 -0.15 C ATOM 2265 CD2 PHE A 150 4.202 -8.926 -2.063 1.00 -0.15 C ATOM 2266 CE1 PHE A 150 5.762 -7.951 -4.188 1.00 -0.15 C ATOM 2267 CE2 PHE A 150 3.858 -7.722 -2.696 1.00 -0.15 C ATOM 2268 CZ PHE A 150 4.632 -7.237 -3.762 1.00 -0.15 C ATOM 0 H PHE A 150 6.497 -11.926 -4.399 1.00 -0.73 H new ATOM 0 HA PHE A 150 5.336 -13.041 -1.943 1.00 0.36 H new ATOM 0 HB2 PHE A 150 5.150 -11.008 -0.852 1.00 0.14 H new ATOM 0 HB3 PHE A 150 6.766 -10.910 -1.522 1.00 0.14 H new ATOM 0 HD1 PHE A 150 6.996 -9.691 -3.863 1.00 -0.15 H new ATOM 0 HD2 PHE A 150 3.591 -9.306 -1.258 1.00 -0.15 H new ATOM 0 HE1 PHE A 150 6.356 -7.583 -5.011 1.00 -0.15 H new ATOM 0 HE2 PHE A 150 2.994 -7.166 -2.362 1.00 -0.15 H new ATOM 0 HZ PHE A 150 4.358 -6.315 -4.254 1.00 -0.15 H new ATOM 2278 N LYS A 151 3.026 -12.421 -2.759 1.00 -0.73 N ATOM 2279 CA LYS A 151 1.684 -12.414 -3.332 1.00 0.36 C ATOM 2280 C LYS A 151 0.647 -12.716 -2.245 1.00 0.57 C ATOM 2281 O LYS A 151 -0.057 -13.720 -2.331 1.00 -0.57 O ATOM 2282 CB LYS A 151 1.553 -13.362 -4.547 1.00 0.00 C ATOM 2283 CG LYS A 151 2.084 -14.797 -4.349 1.00 0.00 C ATOM 2284 CD LYS A 151 3.570 -14.983 -4.717 1.00 0.00 C ATOM 2285 CE LYS A 151 3.762 -16.058 -5.784 1.00 0.50 C ATOM 2286 NZ LYS A 151 3.405 -17.409 -5.307 1.00 -0.85 N ATOM 0 H LYS A 151 3.042 -12.743 -1.791 1.00 -0.73 H new ATOM 0 HA LYS A 151 1.490 -11.414 -3.720 1.00 0.36 H new ATOM 0 HB2 LYS A 151 0.500 -13.421 -4.824 1.00 0.00 H new ATOM 0 HB3 LYS A 151 2.080 -12.914 -5.390 1.00 0.00 H new ATOM 0 HG2 LYS A 151 1.942 -15.083 -3.307 1.00 0.00 H new ATOM 0 HG3 LYS A 151 1.485 -15.479 -4.952 1.00 0.00 H new ATOM 0 HD2 LYS A 151 3.976 -14.038 -5.077 1.00 0.00 H new ATOM 0 HD3 LYS A 151 4.134 -15.253 -3.824 1.00 0.00 H new ATOM 0 HE2 LYS A 151 3.153 -15.812 -6.654 1.00 0.50 H new ATOM 0 HE3 LYS A 151 4.802 -16.056 -6.112 1.00 0.50 H new ATOM 0 HZ1 LYS A 151 3.650 -18.110 -6.035 1.00 -0.85 H new ATOM 0 HZ2 LYS A 151 3.930 -17.619 -4.434 1.00 -0.85 H new ATOM 0 HZ3 LYS A 151 2.384 -17.451 -5.116 1.00 -0.85 H new ATOM 2300 N LEU A 152 0.571 -11.831 -1.241 1.00 -0.73 N ATOM 2301 CA LEU A 152 -0.417 -11.861 -0.163 1.00 0.36 C ATOM 2302 C LEU A 152 -0.278 -13.143 0.688 1.00 0.57 C ATOM 2303 O LEU A 152 -0.887 -14.169 0.396 1.00 -0.57 O ATOM 2304 CB LEU A 152 -1.848 -11.632 -0.701 1.00 0.00 C ATOM 2305 CG LEU A 152 -2.088 -10.339 -1.515 1.00 0.00 C ATOM 2306 CD1 LEU A 152 -1.836 -10.496 -3.017 1.00 0.00 C ATOM 2307 CD2 LEU A 152 -3.541 -9.870 -1.359 1.00 0.00 C ATOM 0 H LEU A 152 1.220 -11.049 -1.158 1.00 -0.73 H new ATOM 0 HA LEU A 152 -0.215 -11.028 0.510 1.00 0.36 H new ATOM 0 HB2 LEU A 152 -2.116 -12.483 -1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -2.534 -11.632 0.146 1.00 0.00 H new ATOM 0 HG LEU A 152 -1.375 -9.619 -1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -2.025 -9.547 -3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -0.801 -10.794 -3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -2.502 -11.259 -3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -3.693 -8.959 -1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -4.215 -10.647 -1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -3.748 -9.671 -0.308 1.00 0.00 H new ATOM 2319 N SER A 153 0.586 -13.103 1.713 1.00 -0.73 N ATOM 2320 CA SER A 153 0.992 -14.265 2.512 1.00 0.36 C ATOM 2321 C SER A 153 -0.121 -14.783 3.454 1.00 0.57 C ATOM 2322 O SER A 153 -0.997 -15.561 3.056 1.00 -0.57 O ATOM 2323 CB SER A 153 2.277 -13.896 3.284 1.00 0.28 C ATOM 2324 OG SER A 153 3.304 -13.441 2.429 1.00 -0.68 O ATOM 0 H SER A 153 1.033 -12.238 2.016 1.00 -0.73 H new ATOM 0 HA SER A 153 1.188 -15.098 1.837 1.00 0.36 H new ATOM 0 HB2 SER A 153 2.048 -13.122 4.017 1.00 0.28 H new ATOM 0 HB3 SER A 153 2.628 -14.767 3.838 1.00 0.28 H new ATOM 0 HG SER A 153 3.931 -12.885 2.937 1.00 -0.68 H new ATOM 2330 N GLN A 154 -0.086 -14.383 4.731 1.00 -0.73 N ATOM 2331 CA GLN A 154 -1.050 -14.808 5.737 1.00 0.36 C ATOM 2332 C GLN A 154 -1.693 -13.575 6.323 1.00 0.57 C ATOM 2333 O GLN A 154 -2.911 -13.505 6.310 1.00 -0.57 O ATOM 2334 CB GLN A 154 -0.409 -15.669 6.840 1.00 0.00 C ATOM 2335 CG GLN A 154 0.038 -17.046 6.333 1.00 0.06 C ATOM 2336 CD GLN A 154 0.249 -18.040 7.485 1.00 0.57 C ATOM 2337 OE1 GLN A 154 1.177 -17.949 8.283 1.00 -0.57 O ATOM 2338 NE2 GLN A 154 -0.653 -19.002 7.611 1.00 -0.80 N ATOM 0 H GLN A 154 0.624 -13.747 5.093 1.00 -0.73 H new ATOM 0 HA GLN A 154 -1.800 -15.440 5.261 1.00 0.36 H new ATOM 0 HB2 GLN A 154 0.451 -15.142 7.253 1.00 0.00 H new ATOM 0 HB3 GLN A 154 -1.123 -15.800 7.653 1.00 0.00 H new ATOM 0 HG2 GLN A 154 -0.711 -17.440 5.646 1.00 0.06 H new ATOM 0 HG3 GLN A 154 0.965 -16.942 5.769 1.00 0.06 H new ATOM 0 HE21 GLN A 154 -1.421 -19.071 6.944 1.00 -0.80 H new ATOM 0 HE22 GLN A 154 -0.579 -19.674 8.375 1.00 -0.80 H new ATOM 2347 N ASP A 155 -0.905 -12.600 6.781 1.00 -0.73 N ATOM 2348 CA ASP A 155 -1.403 -11.343 7.325 1.00 0.36 C ATOM 2349 C ASP A 155 -2.406 -10.641 6.416 1.00 0.57 C ATOM 2350 O ASP A 155 -3.406 -10.106 6.887 1.00 -0.57 O ATOM 2351 CB ASP A 155 -0.219 -10.430 7.619 1.00 0.06 C ATOM 2352 CG ASP A 155 0.261 -9.525 6.473 1.00 0.66 C ATOM 2353 OD1 ASP A 155 0.279 -8.329 6.713 1.00 -0.57 O ATOM 2354 OD2 ASP A 155 0.674 -10.087 5.341 1.00 -0.65 O ATOM 0 H ASP A 155 0.113 -12.667 6.783 1.00 -0.73 H new ATOM 0 HA ASP A 155 -1.947 -11.575 8.241 1.00 0.36 H new ATOM 0 HB2 ASP A 155 -0.482 -9.795 8.465 1.00 0.06 H new ATOM 0 HB3 ASP A 155 0.619 -11.052 7.934 1.00 0.06 H new ATOM 2360 N ASP A 156 -2.133 -10.687 5.119 1.00 -0.73 N ATOM 2361 CA ASP A 156 -2.899 -10.009 4.098 1.00 0.36 C ATOM 2362 C ASP A 156 -4.282 -10.644 3.947 1.00 0.57 C ATOM 2363 O ASP A 156 -5.303 -9.985 4.164 1.00 -0.57 O ATOM 2364 CB ASP A 156 -2.080 -10.097 2.810 1.00 0.06 C ATOM 2365 CG ASP A 156 -2.451 -8.992 1.836 1.00 0.66 C ATOM 2366 OD1 ASP A 156 -3.583 -8.541 1.884 1.00 -0.57 O ATOM 2367 OD2 ASP A 156 -1.495 -8.616 0.991 1.00 -0.65 O ATOM 0 H ASP A 156 -1.346 -11.216 4.743 1.00 -0.73 H new ATOM 0 HA ASP A 156 -3.078 -8.966 4.358 1.00 0.36 H new ATOM 0 HB2 ASP A 156 -1.018 -10.032 3.048 1.00 0.06 H new ATOM 0 HB3 ASP A 156 -2.243 -11.067 2.340 1.00 0.06 H new ATOM 2373 N ILE A 157 -4.316 -11.963 3.697 1.00 -0.73 N ATOM 2374 CA ILE A 157 -5.559 -12.725 3.647 1.00 0.36 C ATOM 2375 C ILE A 157 -6.235 -12.645 5.015 1.00 0.57 C ATOM 2376 O ILE A 157 -7.443 -12.491 5.047 1.00 -0.57 O ATOM 2377 CB ILE A 157 -5.334 -14.184 3.161 1.00 0.00 C ATOM 2378 CG1 ILE A 157 -5.281 -14.300 1.620 1.00 0.00 C ATOM 2379 CG2 ILE A 157 -6.453 -15.152 3.601 1.00 0.00 C ATOM 2380 CD1 ILE A 157 -4.210 -13.445 0.951 1.00 0.00 C ATOM 0 H ILE A 157 -3.481 -12.523 3.525 1.00 -0.73 H new ATOM 0 HA ILE A 157 -6.226 -12.287 2.905 1.00 0.36 H new ATOM 0 HB ILE A 157 -4.381 -14.454 3.616 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -5.112 -15.343 1.354 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -6.254 -14.021 1.215 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -6.235 -16.153 3.229 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -6.509 -15.173 4.689 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -7.407 -14.814 3.195 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -4.249 -13.592 -0.128 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -4.387 -12.394 1.181 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -3.227 -13.737 1.322 1.00 0.00 H new ATOM 2392 N LYS A 158 -5.499 -12.696 6.134 1.00 -0.73 N ATOM 2393 CA LYS A 158 -6.062 -12.564 7.478 1.00 0.36 C ATOM 2394 C LYS A 158 -6.784 -11.220 7.600 1.00 0.57 C ATOM 2395 O LYS A 158 -7.926 -11.201 8.042 1.00 -0.57 O ATOM 2396 CB LYS A 158 -4.961 -12.737 8.545 1.00 0.00 C ATOM 2397 CG LYS A 158 -5.477 -13.077 9.954 1.00 0.00 C ATOM 2398 CD LYS A 158 -5.271 -14.560 10.331 1.00 0.00 C ATOM 2399 CE LYS A 158 -3.913 -14.872 10.990 1.00 0.50 C ATOM 2400 NZ LYS A 158 -2.745 -14.677 10.097 1.00 -0.85 N ATOM 0 H LYS A 158 -4.488 -12.831 6.128 1.00 -0.73 H new ATOM 0 HA LYS A 158 -6.794 -13.353 7.650 1.00 0.36 H new ATOM 0 HB2 LYS A 158 -4.282 -13.526 8.222 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -4.379 -11.817 8.599 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -4.966 -12.448 10.683 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -6.539 -12.837 10.014 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -6.068 -14.863 11.011 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -5.372 -15.167 9.431 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -3.794 -14.238 11.869 1.00 0.50 H new ATOM 0 HE3 LYS A 158 -3.920 -15.904 11.340 1.00 0.50 H new ATOM 0 HZ1 LYS A 158 -1.872 -14.907 10.613 1.00 -0.85 H new ATOM 0 HZ2 LYS A 158 -2.833 -15.301 9.269 1.00 -0.85 H new ATOM 0 HZ3 LYS A 158 -2.710 -13.686 9.782 1.00 -0.85 H new ATOM 2414 N GLY A 159 -6.170 -10.120 7.151 1.00 -0.73 N ATOM 2415 CA GLY A 159 -6.798 -8.811 7.104 1.00 0.36 C ATOM 2416 C GLY A 159 -8.055 -8.832 6.242 1.00 0.57 C ATOM 2417 O GLY A 159 -9.139 -8.497 6.722 1.00 -0.57 O ATOM 0 H GLY A 159 -5.210 -10.122 6.807 1.00 -0.73 H new ATOM 0 HA2 GLY A 159 -7.052 -8.491 8.114 1.00 0.36 H new ATOM 0 HA3 GLY A 159 -6.093 -8.081 6.706 1.00 0.36 H new ATOM 2421 N ILE A 160 -7.928 -9.268 4.989 1.00 -0.73 N ATOM 2422 CA ILE A 160 -9.020 -9.240 4.024 1.00 0.36 C ATOM 2423 C ILE A 160 -10.177 -10.155 4.446 1.00 0.57 C ATOM 2424 O ILE A 160 -11.320 -9.700 4.480 1.00 -0.57 O ATOM 2425 CB ILE A 160 -8.444 -9.537 2.618 1.00 0.00 C ATOM 2426 CG1 ILE A 160 -7.805 -8.274 1.995 1.00 0.00 C ATOM 2427 CG2 ILE A 160 -9.478 -10.144 1.662 1.00 0.00 C ATOM 2428 CD1 ILE A 160 -8.740 -7.058 1.868 1.00 0.00 C ATOM 0 H ILE A 160 -7.060 -9.652 4.616 1.00 -0.73 H new ATOM 0 HA ILE A 160 -9.471 -8.248 3.988 1.00 0.36 H new ATOM 0 HB ILE A 160 -7.668 -10.288 2.763 1.00 0.00 H new ATOM 0 HG12 ILE A 160 -6.943 -7.988 2.598 1.00 0.00 H new ATOM 0 HG13 ILE A 160 -7.430 -8.528 1.004 1.00 0.00 H new ATOM 0 HG21 ILE A 160 -9.013 -10.329 0.694 1.00 0.00 H new ATOM 0 HG22 ILE A 160 -9.846 -11.084 2.073 1.00 0.00 H new ATOM 0 HG23 ILE A 160 -10.310 -9.451 1.539 1.00 0.00 H new ATOM 0 HD11 ILE A 160 -8.196 -6.226 1.420 1.00 0.00 H new ATOM 0 HD12 ILE A 160 -9.590 -7.317 1.237 1.00 0.00 H new ATOM 0 HD13 ILE A 160 -9.096 -6.768 2.856 1.00 0.00 H new ATOM 2440 N GLN A 161 -9.902 -11.406 4.819 1.00 -0.73 N ATOM 2441 CA GLN A 161 -10.901 -12.375 5.254 1.00 0.36 C ATOM 2442 C GLN A 161 -11.511 -11.998 6.608 1.00 0.57 C ATOM 2443 O GLN A 161 -12.574 -12.512 6.947 1.00 -0.57 O ATOM 2444 CB GLN A 161 -10.306 -13.799 5.260 1.00 0.00 C ATOM 2445 CG GLN A 161 -9.453 -14.165 6.491 1.00 0.06 C ATOM 2446 CD GLN A 161 -10.264 -14.837 7.596 1.00 0.57 C ATOM 2447 OE1 GLN A 161 -10.515 -14.263 8.650 1.00 -0.57 O ATOM 2448 NE2 GLN A 161 -10.710 -16.066 7.368 1.00 -0.80 N ATOM 0 H GLN A 161 -8.953 -11.780 4.826 1.00 -0.73 H new ATOM 0 HA GLN A 161 -11.721 -12.360 4.536 1.00 0.36 H new ATOM 0 HB2 GLN A 161 -11.125 -14.515 5.183 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -9.692 -13.920 4.367 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -8.646 -14.830 6.183 1.00 0.06 H new ATOM 0 HG3 GLN A 161 -8.988 -13.262 6.886 1.00 0.06 H new ATOM 0 HE21 GLN A 161 -10.494 -16.532 6.487 1.00 -0.80 H new ATOM 0 HE22 GLN A 161 -11.269 -16.545 8.074 1.00 -0.80 H new ATOM 2457 N LYS A 162 -10.871 -11.113 7.384 1.00 -0.73 N ATOM 2458 CA LYS A 162 -11.453 -10.573 8.604 1.00 0.36 C ATOM 2459 C LYS A 162 -12.381 -9.405 8.259 1.00 0.57 C ATOM 2460 O LYS A 162 -13.466 -9.342 8.837 1.00 -0.57 O ATOM 2461 CB LYS A 162 -10.326 -10.148 9.556 1.00 0.00 C ATOM 2462 CG LYS A 162 -10.767 -9.544 10.900 1.00 0.00 C ATOM 2463 CD LYS A 162 -10.799 -10.541 12.072 1.00 0.00 C ATOM 2464 CE LYS A 162 -12.221 -10.806 12.562 1.00 0.50 C ATOM 2465 NZ LYS A 162 -13.077 -11.421 11.523 1.00 -0.85 N ATOM 0 H LYS A 162 -9.938 -10.757 7.178 1.00 -0.73 H new ATOM 0 HA LYS A 162 -12.052 -11.332 9.107 1.00 0.36 H new ATOM 0 HB2 LYS A 162 -9.702 -11.018 9.759 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -9.699 -9.420 9.042 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -10.093 -8.726 11.154 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -11.761 -9.112 10.781 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -10.342 -11.480 11.761 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -10.199 -10.152 12.895 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -12.185 -11.461 13.432 1.00 0.50 H new ATOM 0 HE3 LYS A 162 -12.670 -9.868 12.888 1.00 0.50 H new ATOM 0 HZ1 LYS A 162 -13.972 -11.734 11.951 1.00 -0.85 H new ATOM 0 HZ2 LYS A 162 -13.275 -10.723 10.778 1.00 -0.85 H new ATOM 0 HZ3 LYS A 162 -12.587 -12.239 11.109 1.00 -0.85 H new ATOM 2479 N LEU A 163 -11.968 -8.514 7.344 1.00 -0.73 N ATOM 2480 CA LEU A 163 -12.739 -7.342 6.917 1.00 0.36 C ATOM 2481 C LEU A 163 -13.981 -7.750 6.117 1.00 0.57 C ATOM 2482 O LEU A 163 -15.082 -7.281 6.400 1.00 -0.57 O ATOM 2483 CB LEU A 163 -11.860 -6.408 6.046 1.00 0.00 C ATOM 2484 CG LEU A 163 -11.225 -5.185 6.741 1.00 0.00 C ATOM 2485 CD1 LEU A 163 -12.299 -4.203 7.230 1.00 0.00 C ATOM 2486 CD2 LEU A 163 -10.277 -5.552 7.886 1.00 0.00 C ATOM 0 H LEU A 163 -11.068 -8.593 6.871 1.00 -0.73 H new ATOM 0 HA LEU A 163 -13.059 -6.817 7.817 1.00 0.36 H new ATOM 0 HB2 LEU A 163 -11.057 -7.006 5.614 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -12.469 -6.047 5.217 1.00 0.00 H new ATOM 0 HG LEU A 163 -10.616 -4.699 5.978 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -11.820 -3.352 7.715 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -12.886 -3.853 6.381 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -12.954 -4.705 7.942 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -9.869 -4.642 8.326 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -10.824 -6.110 8.646 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -9.462 -6.166 7.501 1.00 0.00 H new ATOM 2498 N TYR A 164 -13.804 -8.622 5.122 1.00 -0.73 N ATOM 2499 CA TYR A 164 -14.845 -9.049 4.187 1.00 0.36 C ATOM 2500 C TYR A 164 -15.463 -10.385 4.614 1.00 0.57 C ATOM 2501 O TYR A 164 -16.301 -10.923 3.884 1.00 -0.57 O ATOM 2502 CB TYR A 164 -14.241 -9.139 2.773 1.00 0.14 C ATOM 2503 CG TYR A 164 -13.992 -7.794 2.126 1.00 -0.14 C ATOM 2504 CD1 TYR A 164 -12.892 -7.015 2.529 1.00 -0.15 C ATOM 2505 CD2 TYR A 164 -14.854 -7.329 1.111 1.00 -0.15 C ATOM 2506 CE1 TYR A 164 -12.660 -5.765 1.939 1.00 -0.15 C ATOM 2507 CE2 TYR A 164 -14.613 -6.092 0.493 1.00 -0.15 C ATOM 2508 CZ TYR A 164 -13.516 -5.308 0.914 1.00 0.08 C ATOM 2509 OH TYR A 164 -13.306 -4.083 0.374 1.00 -0.53 O ATOM 0 H TYR A 164 -12.903 -9.064 4.940 1.00 -0.73 H new ATOM 0 HA TYR A 164 -15.651 -8.315 4.187 1.00 0.36 H new ATOM 0 HB2 TYR A 164 -13.300 -9.686 2.825 1.00 0.14 H new ATOM 0 HB3 TYR A 164 -14.912 -9.718 2.138 1.00 0.14 H new ATOM 0 HD1 TYR A 164 -12.225 -7.381 3.295 1.00 -0.15 H new ATOM 0 HD2 TYR A 164 -15.702 -7.926 0.809 1.00 -0.15 H new ATOM 0 HE1 TYR A 164 -11.831 -5.155 2.267 1.00 -0.15 H new ATOM 0 HE2 TYR A 164 -15.261 -5.743 -0.298 1.00 -0.15 H new ATOM 0 HH TYR A 164 -12.351 -3.867 0.415 1.00 -0.53 H new