USER MOD reduce.3.24.130724 H: found=0, std=0, add=1171, rem=0, adj=38 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 109 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 148 GLN : amide:sc= -0.927 K(o=-0.93,f=-2.1) USER MOD Set 2.1: A 120 HIS : no HE2:sc= -2.88 X(o=-3.1,f=-3.1!) USER MOD Set 2.2: A 124 HIS : no HD1:sc= 0.185 K(o=-3.1,f=-4.9) USER MOD Set 2.3: A 130 HIS : no HD1:sc= -0.399 X(o=-3.1,f=-2.8) USER MOD Set 3.1: A 80 ASN :FLIP amide:sc= -0.498 F(o=-1.3,f=-0.5) USER MOD Set 3.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 61 MET CE :methyl -159:sc= -0.0113 (180deg=-0.537) USER MOD Set 4.2: A 69 HIS : no HE2:sc= 0.12 K(o=-1.4,f=-7!) USER MOD Set 4.3: A 84 HIS : no HE2:sc= -1.05 K(o=-1.4,f=-2.2) USER MOD Set 4.4: A 97 HIS : no HE2:sc= -0.446 X(o=-1.4,f=-1.6) USER MOD Set 5.1: A 17 TYR OH : rot -29:sc= 1.64 USER MOD Set 5.2: A 36 SER OG : rot 80:sc= 0.643 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00684 USER MOD Single : A 12 SER OG : rot -132:sc= 1.67 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 174:sc= -0.785 USER MOD Single : A 21 SER OG : rot -178:sc= 1.06 USER MOD Single : A 22 TYR OH : rot -74:sc= 0.167 USER MOD Single : A 23 THR OG1 : rot 36:sc= 0.338 USER MOD Single : A 28 HIS : no HD1:sc= -0.213 X(o=-0.21,f=-0.56) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl -142:sc= 0 (180deg=-0.0468) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= 0.397 K(o=0.4,f=-1.5) USER MOD Single : A 52 LYS NZ :NH3+ 166:sc= 0.0235 (180deg=0.000431) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 42:sc= 0.236 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.458 USER MOD Single : A 105 THR OG1 : rot 140:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0.443 K(o=0.44,f=-13!) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 83:sc= -0.091 USER MOD Single : A 125 SER OG : rot -92:sc= 1.05 USER MOD Single : A 128 MET CE :methyl -151:sc= -0.451 (180deg=-2.12) USER MOD Single : A 131 SER OG : rot 54:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= -0.0105 K(o=-0.01,f=-1.7) USER MOD Single : A 138 MET CE :methyl 169:sc= -0.264 (180deg=-0.751) 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= -0.73 USER MOD Single : A 144 ASN : amide:sc= -0.0209 K(o=-0.021,f=-0.85) USER MOD Single : A 149 ASN : amide:sc= -0.49! X(o=-0.49!,f=-0.019) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 SER OG : rot 180:sc= -0.0396 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 (180deg=0) USER MOD Single : A 161 GLN : amide:sc= -0.0339 K(o=-0.034,f=-2.1!) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 TYR OH : rot 180:sc= -0.107 USER MOD ----------------------------------------------------------------- ATOM 109 N PRO A 8 -12.884 1.617 8.218 1.00 -0.66 N ATOM 110 CA PRO A 8 -12.332 0.505 7.463 1.00 0.36 C ATOM 111 C PRO A 8 -13.245 0.222 6.272 1.00 0.57 C ATOM 112 O PRO A 8 -14.408 -0.135 6.469 1.00 -0.57 O ATOM 113 CB PRO A 8 -12.250 -0.676 8.434 1.00 0.00 C ATOM 114 CG PRO A 8 -13.290 -0.366 9.512 1.00 0.00 C ATOM 115 CD PRO A 8 -13.511 1.147 9.444 1.00 0.30 C ATOM 0 HA PRO A 8 -11.340 0.710 7.062 1.00 0.36 H new ATOM 0 HB2 PRO A 8 -12.470 -1.618 7.931 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -11.252 -0.768 8.862 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -14.218 -0.907 9.329 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -12.935 -0.667 10.498 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -14.576 1.381 9.446 1.00 0.30 H new ATOM 0 HD3 PRO A 8 -13.074 1.639 10.313 1.00 0.30 H new ATOM 123 N LYS A 9 -12.689 0.377 5.063 1.00 -0.73 N ATOM 124 CA LYS A 9 -13.342 0.324 3.756 1.00 0.36 C ATOM 125 C LYS A 9 -13.974 1.673 3.401 1.00 0.57 C ATOM 126 O LYS A 9 -14.661 2.297 4.207 1.00 -0.57 O ATOM 127 CB LYS A 9 -14.291 -0.882 3.601 1.00 0.00 C ATOM 128 CG LYS A 9 -15.804 -0.600 3.726 1.00 0.00 C ATOM 129 CD LYS A 9 -16.632 -1.881 3.880 1.00 0.00 C ATOM 130 CE LYS A 9 -18.133 -1.579 3.719 1.00 0.50 C ATOM 131 NZ LYS A 9 -18.825 -2.570 2.854 1.00 -0.85 N ATOM 0 H LYS A 9 -11.689 0.557 4.971 1.00 -0.73 H new ATOM 0 HA LYS A 9 -12.569 0.144 3.009 1.00 0.36 H new ATOM 0 HB2 LYS A 9 -14.109 -1.334 2.626 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -14.021 -1.625 4.352 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.979 0.047 4.585 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -16.143 -0.057 2.844 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -16.321 -2.613 3.135 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -16.448 -2.324 4.859 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -18.605 -1.567 4.701 1.00 0.50 H new ATOM 0 HE3 LYS A 9 -18.256 -0.583 3.294 1.00 0.50 H new ATOM 0 HZ1 LYS A 9 -19.832 -2.321 2.778 1.00 -0.85 H new ATOM 0 HZ2 LYS A 9 -18.395 -2.565 1.907 1.00 -0.85 H new ATOM 0 HZ3 LYS A 9 -18.733 -3.518 3.271 1.00 -0.85 H new ATOM 145 N TRP A 10 -13.757 2.108 2.158 1.00 -0.73 N ATOM 146 CA TRP A 10 -14.415 3.278 1.589 1.00 0.36 C ATOM 147 C TRP A 10 -15.918 3.048 1.431 1.00 0.57 C ATOM 148 O TRP A 10 -16.418 1.930 1.524 1.00 -0.57 O ATOM 149 CB TRP A 10 -13.810 3.612 0.222 1.00 0.18 C ATOM 150 CG TRP A 10 -12.336 3.815 0.230 1.00 -0.18 C ATOM 151 CD1 TRP A 10 -11.409 2.834 0.144 1.00 -0.30 C ATOM 152 CD2 TRP A 10 -11.597 5.062 0.395 1.00 0.00 C ATOM 153 NE1 TRP A 10 -10.156 3.381 0.247 1.00 0.03 N ATOM 154 CE2 TRP A 10 -10.212 4.750 0.364 1.00 -0.15 C ATOM 155 CE3 TRP A 10 -11.944 6.417 0.614 1.00 -0.15 C ATOM 156 CZ2 TRP A 10 -9.224 5.717 0.552 1.00 -0.15 C ATOM 157 CZ3 TRP A 10 -10.953 7.408 0.753 1.00 -0.15 C ATOM 158 CH2 TRP A 10 -9.598 7.056 0.709 1.00 -0.15 C ATOM 0 H TRP A 10 -13.112 1.650 1.514 1.00 -0.73 H new ATOM 0 HA TRP A 10 -14.260 4.111 2.275 1.00 0.36 H new ATOM 0 HB2 TRP A 10 -14.049 2.807 -0.473 1.00 0.18 H new ATOM 0 HB3 TRP A 10 -14.286 4.515 -0.160 1.00 0.18 H new ATOM 0 HD1 TRP A 10 -11.623 1.783 0.014 1.00 -0.30 H new ATOM 0 HE1 TRP A 10 -9.291 2.840 0.238 1.00 0.03 H new ATOM 0 HE3 TRP A 10 -12.986 6.695 0.675 1.00 -0.15 H new ATOM 0 HZ2 TRP A 10 -8.182 5.435 0.576 1.00 -0.15 H new ATOM 0 HZ3 TRP A 10 -11.238 8.440 0.894 1.00 -0.15 H new ATOM 0 HH2 TRP A 10 -8.840 7.820 0.796 1.00 -0.15 H new ATOM 169 N THR A 11 -16.644 4.123 1.132 1.00 -0.73 N ATOM 170 CA THR A 11 -18.093 4.100 0.992 1.00 0.36 C ATOM 171 C THR A 11 -18.516 3.560 -0.385 1.00 0.57 C ATOM 172 O THR A 11 -19.544 2.893 -0.511 1.00 -0.57 O ATOM 173 CB THR A 11 -18.601 5.533 1.224 1.00 0.28 C ATOM 174 OG1 THR A 11 -17.993 6.418 0.302 1.00 -0.68 O ATOM 175 CG2 THR A 11 -18.240 6.040 2.628 1.00 0.00 C ATOM 0 H THR A 11 -16.235 5.045 0.979 1.00 -0.73 H new ATOM 0 HA THR A 11 -18.534 3.425 1.725 1.00 0.36 H new ATOM 0 HB THR A 11 -19.684 5.507 1.102 1.00 0.28 H new ATOM 0 HG1 THR A 11 -18.323 7.328 0.455 1.00 -0.68 H new ATOM 0 HG21 THR A 11 -18.615 7.055 2.756 1.00 0.00 H new ATOM 0 HG22 THR A 11 -18.692 5.390 3.377 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.157 6.035 2.749 1.00 0.00 H new ATOM 183 N SER A 12 -17.723 3.839 -1.426 1.00 -0.73 N ATOM 184 CA SER A 12 -17.911 3.301 -2.762 1.00 0.36 C ATOM 185 C SER A 12 -17.199 1.945 -2.870 1.00 0.57 C ATOM 186 O SER A 12 -16.127 1.753 -2.294 1.00 -0.57 O ATOM 187 CB SER A 12 -17.385 4.334 -3.770 1.00 0.28 C ATOM 188 OG SER A 12 -17.305 3.800 -5.071 1.00 -0.68 O ATOM 0 H SER A 12 -16.917 4.460 -1.353 1.00 -0.73 H new ATOM 0 HA SER A 12 -18.964 3.121 -2.980 1.00 0.36 H new ATOM 0 HB2 SER A 12 -18.041 5.205 -3.774 1.00 0.28 H new ATOM 0 HB3 SER A 12 -16.399 4.678 -3.457 1.00 0.28 H new ATOM 0 HG SER A 12 -16.431 4.014 -5.459 1.00 -0.68 H new ATOM 194 N LYS A 13 -17.772 1.023 -3.661 1.00 -0.73 N ATOM 195 CA LYS A 13 -17.123 -0.233 -4.056 1.00 0.36 C ATOM 196 C LYS A 13 -16.051 -0.013 -5.124 1.00 0.57 C ATOM 197 O LYS A 13 -15.287 -0.939 -5.408 1.00 -0.57 O ATOM 198 CB LYS A 13 -18.154 -1.241 -4.609 1.00 0.00 C ATOM 199 CG LYS A 13 -18.692 -2.217 -3.553 1.00 0.00 C ATOM 200 CD LYS A 13 -19.950 -1.682 -2.869 1.00 0.00 C ATOM 201 CE LYS A 13 -20.522 -2.714 -1.892 1.00 0.50 C ATOM 202 NZ LYS A 13 -21.773 -2.224 -1.267 1.00 -0.85 N ATOM 0 H LYS A 13 -18.710 1.132 -4.047 1.00 -0.73 H new ATOM 0 HA LYS A 13 -16.655 -0.630 -3.155 1.00 0.36 H new ATOM 0 HB2 LYS A 13 -18.990 -0.691 -5.042 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -17.695 -1.811 -5.417 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -18.914 -3.175 -4.024 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -17.922 -2.401 -2.804 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -19.715 -0.761 -2.335 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -20.699 -1.432 -3.620 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -20.717 -3.648 -2.419 1.00 0.50 H new ATOM 0 HE3 LYS A 13 -19.787 -2.932 -1.118 1.00 0.50 H new ATOM 0 HZ1 LYS A 13 -22.138 -2.943 -0.610 1.00 -0.85 H new ATOM 0 HZ2 LYS A 13 -21.579 -1.345 -0.745 1.00 -0.85 H new ATOM 0 HZ3 LYS A 13 -22.481 -2.039 -2.006 1.00 -0.85 H new ATOM 216 N VAL A 14 -16.018 1.181 -5.722 1.00 -0.73 N ATOM 217 CA VAL A 14 -15.063 1.570 -6.734 1.00 0.36 C ATOM 218 C VAL A 14 -14.251 2.712 -6.139 1.00 0.57 C ATOM 219 O VAL A 14 -14.782 3.795 -5.869 1.00 -0.57 O ATOM 220 CB VAL A 14 -15.754 1.871 -8.078 1.00 0.00 C ATOM 221 CG1 VAL A 14 -16.911 2.883 -8.033 1.00 0.00 C ATOM 222 CG2 VAL A 14 -14.717 2.342 -9.096 1.00 0.00 C ATOM 0 H VAL A 14 -16.684 1.921 -5.499 1.00 -0.73 H new ATOM 0 HA VAL A 14 -14.377 0.764 -6.995 1.00 0.36 H new ATOM 0 HB VAL A 14 -16.214 0.926 -8.366 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -17.319 3.014 -9.035 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -17.692 2.513 -7.369 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -16.543 3.840 -7.663 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -15.209 2.554 -10.045 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -14.232 3.246 -8.729 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.969 1.562 -9.241 1.00 0.00 H new ATOM 232 N VAL A 15 -12.976 2.416 -5.886 1.00 -0.73 N ATOM 233 CA VAL A 15 -12.039 3.315 -5.238 1.00 0.36 C ATOM 234 C VAL A 15 -11.116 3.879 -6.312 1.00 0.57 C ATOM 235 O VAL A 15 -10.537 3.121 -7.088 1.00 -0.57 O ATOM 236 CB VAL A 15 -11.264 2.516 -4.177 1.00 0.00 C ATOM 237 CG1 VAL A 15 -10.146 3.350 -3.571 1.00 0.00 C ATOM 238 CG2 VAL A 15 -12.194 2.086 -3.037 1.00 0.00 C ATOM 0 H VAL A 15 -12.562 1.518 -6.136 1.00 -0.73 H new ATOM 0 HA VAL A 15 -12.540 4.145 -4.740 1.00 0.36 H new ATOM 0 HB VAL A 15 -10.847 1.643 -4.679 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.615 2.759 -2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.452 3.652 -4.355 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.569 4.237 -3.099 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.626 1.522 -2.297 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -12.626 2.969 -2.567 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -12.993 1.460 -3.435 1.00 0.00 H new ATOM 248 N THR A 16 -10.954 5.198 -6.371 1.00 -0.73 N ATOM 249 CA THR A 16 -10.185 5.805 -7.448 1.00 0.36 C ATOM 250 C THR A 16 -8.810 6.248 -6.935 1.00 0.57 C ATOM 251 O THR A 16 -8.702 6.801 -5.838 1.00 -0.57 O ATOM 252 CB THR A 16 -11.038 6.875 -8.138 1.00 0.28 C ATOM 253 OG1 THR A 16 -10.377 7.272 -9.316 1.00 -0.68 O ATOM 254 CG2 THR A 16 -11.398 8.078 -7.257 1.00 0.00 C ATOM 0 H THR A 16 -11.340 5.857 -5.695 1.00 -0.73 H new ATOM 0 HA THR A 16 -9.949 5.087 -8.234 1.00 0.36 H new ATOM 0 HB THR A 16 -12.004 6.426 -8.367 1.00 0.28 H new ATOM 0 HG1 THR A 16 -10.951 7.884 -9.823 1.00 -0.68 H new ATOM 0 HG21 THR A 16 -12.002 8.781 -7.830 1.00 0.00 H new ATOM 0 HG22 THR A 16 -11.963 7.737 -6.390 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.485 8.571 -6.924 1.00 0.00 H new ATOM 262 N TYR A 17 -7.757 6.017 -7.729 1.00 -0.73 N ATOM 263 CA TYR A 17 -6.384 6.317 -7.333 1.00 0.36 C ATOM 264 C TYR A 17 -5.705 7.227 -8.363 1.00 0.57 C ATOM 265 O TYR A 17 -6.131 7.303 -9.523 1.00 -0.57 O ATOM 266 CB TYR A 17 -5.600 5.012 -7.084 1.00 0.14 C ATOM 267 CG TYR A 17 -5.066 4.346 -8.339 1.00 -0.14 C ATOM 268 CD1 TYR A 17 -3.809 4.721 -8.857 1.00 -0.15 C ATOM 269 CD2 TYR A 17 -5.837 3.384 -9.014 1.00 -0.15 C ATOM 270 CE1 TYR A 17 -3.351 4.170 -10.068 1.00 -0.15 C ATOM 271 CE2 TYR A 17 -5.363 2.806 -10.206 1.00 -0.15 C ATOM 272 CZ TYR A 17 -4.117 3.193 -10.744 1.00 0.08 C ATOM 273 OH TYR A 17 -3.692 2.634 -11.921 1.00 -0.53 O ATOM 0 H TYR A 17 -7.838 5.617 -8.664 1.00 -0.73 H new ATOM 0 HA TYR A 17 -6.397 6.868 -6.393 1.00 0.36 H new ATOM 0 HB2 TYR A 17 -4.764 5.227 -6.419 1.00 0.14 H new ATOM 0 HB3 TYR A 17 -6.249 4.308 -6.563 1.00 0.14 H new ATOM 0 HD1 TYR A 17 -3.197 5.433 -8.323 1.00 -0.15 H new ATOM 0 HD2 TYR A 17 -6.796 3.088 -8.616 1.00 -0.15 H new ATOM 0 HE1 TYR A 17 -2.409 4.495 -10.483 1.00 -0.15 H new ATOM 0 HE2 TYR A 17 -5.957 2.060 -10.713 1.00 -0.15 H new ATOM 0 HH TYR A 17 -3.132 3.277 -12.405 1.00 -0.53 H new ATOM 283 N ARG A 18 -4.624 7.909 -7.956 1.00 -0.73 N ATOM 284 CA ARG A 18 -3.789 8.690 -8.871 1.00 0.36 C ATOM 285 C ARG A 18 -2.364 8.770 -8.359 1.00 0.57 C ATOM 286 O ARG A 18 -2.101 8.487 -7.203 1.00 -0.57 O ATOM 287 CB ARG A 18 -4.344 10.110 -9.058 1.00 0.00 C ATOM 288 CG ARG A 18 -3.834 10.780 -10.352 1.00 0.00 C ATOM 289 CD ARG A 18 -2.882 11.963 -10.097 1.00 0.33 C ATOM 290 NE ARG A 18 -2.620 12.719 -11.336 1.00 -0.84 N ATOM 291 CZ ARG A 18 -2.311 14.025 -11.428 1.00 1.20 C ATOM 292 NH1 ARG A 18 -2.196 14.772 -10.329 1.00 -0.97 N ATOM 293 NH2 ARG A 18 -2.163 14.585 -12.629 1.00 -0.97 N ATOM 0 H ARG A 18 -4.308 7.933 -6.987 1.00 -0.73 H new ATOM 0 HA ARG A 18 -3.798 8.181 -9.835 1.00 0.36 H new ATOM 0 HB2 ARG A 18 -5.433 10.071 -9.078 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.063 10.722 -8.201 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.320 10.035 -10.959 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.688 11.130 -10.932 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.316 12.626 -9.349 1.00 0.33 H new ATOM 0 HD3 ARG A 18 -1.941 11.594 -9.688 1.00 0.33 H new ATOM 0 HE ARG A 18 -2.679 12.199 -12.212 1.00 -0.84 H new ATOM 0 HH11 ARG A 18 -2.343 14.354 -9.410 1.00 -0.97 H new ATOM 0 HH12 ARG A 18 -1.961 15.762 -10.407 1.00 -0.97 H new ATOM 0 HH21 ARG A 18 -2.284 14.024 -13.472 1.00 -0.97 H new ATOM 0 HH22 ARG A 18 -1.929 15.575 -12.705 1.00 -0.97 H new ATOM 307 N ILE A 19 -1.441 9.202 -9.208 1.00 -0.73 N ATOM 308 CA ILE A 19 -0.024 9.221 -8.926 1.00 0.36 C ATOM 309 C ILE A 19 0.404 10.643 -9.300 1.00 0.57 C ATOM 310 O ILE A 19 0.491 10.978 -10.476 1.00 -0.57 O ATOM 311 CB ILE A 19 0.648 8.077 -9.713 1.00 0.00 C ATOM 312 CG1 ILE A 19 -0.065 6.716 -9.513 1.00 0.00 C ATOM 313 CG2 ILE A 19 2.112 7.965 -9.278 1.00 0.00 C ATOM 314 CD1 ILE A 19 0.371 5.679 -10.533 1.00 0.00 C ATOM 0 H ILE A 19 -1.671 9.557 -10.136 1.00 -0.73 H new ATOM 0 HA ILE A 19 0.265 9.032 -7.892 1.00 0.36 H new ATOM 0 HB ILE A 19 0.579 8.318 -10.774 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.142 6.344 -8.510 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.143 6.860 -9.583 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.595 7.158 -9.830 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.626 8.904 -9.484 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.159 7.753 -8.210 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.157 4.744 -10.349 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.139 6.036 -11.537 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.445 5.512 -10.446 1.00 0.00 H new ATOM 326 N VAL A 20 0.437 11.539 -8.310 1.00 -0.73 N ATOM 327 CA VAL A 20 0.608 12.983 -8.527 1.00 0.36 C ATOM 328 C VAL A 20 2.075 13.285 -8.837 1.00 0.57 C ATOM 329 O VAL A 20 2.399 14.027 -9.765 1.00 -0.57 O ATOM 330 CB VAL A 20 0.183 13.779 -7.272 1.00 0.00 C ATOM 331 CG1 VAL A 20 0.096 15.286 -7.556 1.00 0.00 C ATOM 332 CG2 VAL A 20 -1.155 13.293 -6.705 1.00 0.00 C ATOM 0 H VAL A 20 0.345 11.283 -7.327 1.00 -0.73 H new ATOM 0 HA VAL A 20 -0.021 13.282 -9.365 1.00 0.36 H new ATOM 0 HB VAL A 20 0.960 13.602 -6.528 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.206 15.810 -6.649 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.070 15.652 -7.880 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.639 15.467 -8.341 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.412 13.882 -5.824 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.933 13.409 -7.459 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.072 12.242 -6.427 1.00 0.00 H new ATOM 342 N SER A 21 2.952 12.680 -8.040 1.00 -0.73 N ATOM 343 CA SER A 21 4.387 12.663 -8.218 1.00 0.36 C ATOM 344 C SER A 21 4.718 11.212 -8.540 1.00 0.57 C ATOM 345 O SER A 21 3.966 10.311 -8.166 1.00 -0.57 O ATOM 346 CB SER A 21 5.063 13.210 -6.943 1.00 0.28 C ATOM 347 OG SER A 21 6.382 12.732 -6.792 1.00 -0.68 O ATOM 0 H SER A 21 2.657 12.164 -7.211 1.00 -0.73 H new ATOM 0 HA SER A 21 4.754 13.302 -9.021 1.00 0.36 H new ATOM 0 HB2 SER A 21 5.075 14.299 -6.979 1.00 0.28 H new ATOM 0 HB3 SER A 21 4.474 12.926 -6.071 1.00 0.28 H new ATOM 0 HG SER A 21 6.762 13.078 -5.957 1.00 -0.68 H new ATOM 353 N TYR A 22 5.843 10.985 -9.212 1.00 -0.73 N ATOM 354 CA TYR A 22 6.294 9.681 -9.668 1.00 0.36 C ATOM 355 C TYR A 22 7.768 9.567 -9.289 1.00 0.57 C ATOM 356 O TYR A 22 8.442 10.591 -9.174 1.00 -0.57 O ATOM 357 CB TYR A 22 6.121 9.573 -11.190 1.00 0.14 C ATOM 358 CG TYR A 22 4.702 9.754 -11.705 1.00 -0.14 C ATOM 359 CD1 TYR A 22 4.210 11.044 -11.985 1.00 -0.15 C ATOM 360 CD2 TYR A 22 3.895 8.630 -11.962 1.00 -0.15 C ATOM 361 CE1 TYR A 22 2.917 11.214 -12.513 1.00 -0.15 C ATOM 362 CE2 TYR A 22 2.620 8.787 -12.533 1.00 -0.15 C ATOM 363 CZ TYR A 22 2.120 10.079 -12.801 1.00 0.08 C ATOM 364 OH TYR A 22 0.861 10.224 -13.303 1.00 -0.53 O ATOM 0 H TYR A 22 6.487 11.735 -9.462 1.00 -0.73 H new ATOM 0 HA TYR A 22 5.715 8.879 -9.210 1.00 0.36 H new ATOM 0 HB2 TYR A 22 6.758 10.320 -11.664 1.00 0.14 H new ATOM 0 HB3 TYR A 22 6.483 8.596 -11.510 1.00 0.14 H new ATOM 0 HD1 TYR A 22 4.829 11.908 -11.793 1.00 -0.15 H new ATOM 0 HD2 TYR A 22 4.257 7.642 -11.719 1.00 -0.15 H new ATOM 0 HE1 TYR A 22 2.533 12.206 -12.698 1.00 -0.15 H new ATOM 0 HE2 TYR A 22 2.023 7.918 -12.767 1.00 -0.15 H new ATOM 0 HH TYR A 22 0.260 10.536 -12.594 1.00 -0.53 H new ATOM 374 N THR A 23 8.249 8.331 -9.121 1.00 -0.73 N ATOM 375 CA THR A 23 9.662 8.060 -8.875 1.00 0.36 C ATOM 376 C THR A 23 10.540 8.473 -10.069 1.00 0.57 C ATOM 377 O THR A 23 10.069 8.774 -11.183 1.00 -0.57 O ATOM 378 CB THR A 23 9.858 6.572 -8.489 1.00 0.28 C ATOM 379 OG1 THR A 23 11.144 6.293 -7.972 1.00 -0.68 O ATOM 380 CG2 THR A 23 9.736 5.646 -9.694 1.00 0.00 C ATOM 0 H THR A 23 7.667 7.494 -9.152 1.00 -0.73 H new ATOM 0 HA THR A 23 9.989 8.672 -8.034 1.00 0.36 H new ATOM 0 HB THR A 23 9.081 6.400 -7.744 1.00 0.28 H new ATOM 0 HG1 THR A 23 11.455 7.055 -7.439 1.00 -0.68 H new ATOM 0 HG21 THR A 23 9.881 4.614 -9.376 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.746 5.754 -10.137 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.494 5.908 -10.432 1.00 0.00 H new ATOM 388 N ARG A 24 11.850 8.376 -9.838 1.00 -0.73 N ATOM 389 CA ARG A 24 12.878 8.680 -10.820 1.00 0.36 C ATOM 390 C ARG A 24 13.547 7.429 -11.364 1.00 0.57 C ATOM 391 O ARG A 24 13.876 7.412 -12.548 1.00 -0.57 O ATOM 392 CB ARG A 24 13.929 9.613 -10.187 1.00 0.00 C ATOM 393 CG ARG A 24 13.977 10.986 -10.881 1.00 0.00 C ATOM 394 CD ARG A 24 15.372 11.322 -11.431 1.00 0.33 C ATOM 395 NE ARG A 24 16.071 12.286 -10.571 1.00 -0.84 N ATOM 396 CZ ARG A 24 17.236 12.888 -10.826 1.00 1.20 C ATOM 397 NH1 ARG A 24 17.962 12.559 -11.897 1.00 -0.97 N ATOM 398 NH2 ARG A 24 17.641 13.834 -9.977 1.00 -0.97 N ATOM 0 H ARG A 24 12.229 8.076 -8.940 1.00 -0.73 H new ATOM 0 HA ARG A 24 12.397 9.175 -11.664 1.00 0.36 H new ATOM 0 HB2 ARG A 24 13.702 9.749 -9.130 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.911 9.144 -10.244 1.00 0.00 H new ATOM 0 HG2 ARG A 24 13.255 11.002 -11.698 1.00 0.00 H new ATOM 0 HG3 ARG A 24 13.674 11.758 -10.173 1.00 0.00 H new ATOM 0 HD2 ARG A 24 15.962 10.409 -11.511 1.00 0.33 H new ATOM 0 HD3 ARG A 24 15.279 11.731 -12.437 1.00 0.33 H new ATOM 0 HE ARG A 24 15.620 12.520 -9.687 1.00 -0.84 H new ATOM 0 HH11 ARG A 24 17.629 11.837 -12.536 1.00 -0.97 H new ATOM 0 HH12 ARG A 24 18.849 13.029 -12.076 1.00 -0.97 H new ATOM 0 HH21 ARG A 24 17.067 14.074 -9.169 1.00 -0.97 H new ATOM 0 HH22 ARG A 24 18.525 14.318 -10.136 1.00 -0.97 H new ATOM 412 N ASP A 25 13.766 6.409 -10.525 1.00 -0.73 N ATOM 413 CA ASP A 25 14.556 5.249 -10.937 1.00 0.36 C ATOM 414 C ASP A 25 13.817 4.418 -11.990 1.00 0.57 C ATOM 415 O ASP A 25 14.441 3.894 -12.918 1.00 -0.57 O ATOM 416 CB ASP A 25 14.899 4.368 -9.720 1.00 0.06 C ATOM 417 CG ASP A 25 16.356 3.883 -9.700 1.00 0.66 C ATOM 418 OD1 ASP A 25 17.035 4.008 -10.706 1.00 -0.57 O ATOM 419 OD2 ASP A 25 16.816 3.414 -8.544 1.00 -0.65 O ATOM 0 H ASP A 25 13.411 6.365 -9.570 1.00 -0.73 H new ATOM 0 HA ASP A 25 15.480 5.620 -11.380 1.00 0.36 H new ATOM 0 HB2 ASP A 25 14.700 4.931 -8.808 1.00 0.06 H new ATOM 0 HB3 ASP A 25 14.237 3.502 -9.711 1.00 0.06 H new ATOM 425 N LEU A 26 12.488 4.351 -11.836 1.00 -0.73 N ATOM 426 CA LEU A 26 11.544 3.643 -12.689 1.00 0.36 C ATOM 427 C LEU A 26 10.642 4.683 -13.371 1.00 0.57 C ATOM 428 O LEU A 26 10.410 5.757 -12.811 1.00 -0.57 O ATOM 429 CB LEU A 26 10.674 2.672 -11.860 1.00 0.00 C ATOM 430 CG LEU A 26 11.439 1.756 -10.888 1.00 0.00 C ATOM 431 CD1 LEU A 26 10.427 1.009 -10.009 1.00 0.00 C ATOM 432 CD2 LEU A 26 12.363 0.795 -11.653 1.00 0.00 C ATOM 0 H LEU A 26 12.021 4.822 -11.061 1.00 -0.73 H new ATOM 0 HA LEU A 26 12.092 3.060 -13.429 1.00 0.36 H new ATOM 0 HB2 LEU A 26 9.953 3.257 -11.288 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.104 2.047 -12.547 1.00 0.00 H new ATOM 0 HG LEU A 26 12.082 2.355 -10.243 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.959 0.357 -9.316 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.833 1.729 -9.446 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.770 0.410 -10.639 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.893 0.158 -10.944 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.768 0.175 -12.324 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.084 1.369 -12.234 1.00 0.00 H new ATOM 444 N PRO A 27 10.108 4.397 -14.569 1.00 -0.66 N ATOM 445 CA PRO A 27 9.254 5.340 -15.272 1.00 0.36 C ATOM 446 C PRO A 27 7.827 5.358 -14.703 1.00 0.57 C ATOM 447 O PRO A 27 7.333 4.355 -14.189 1.00 -0.57 O ATOM 448 CB PRO A 27 9.292 4.896 -16.731 1.00 0.00 C ATOM 449 CG PRO A 27 9.664 3.414 -16.698 1.00 0.00 C ATOM 450 CD PRO A 27 10.354 3.197 -15.351 1.00 0.30 C ATOM 0 HA PRO A 27 9.604 6.366 -15.159 1.00 0.36 H new ATOM 0 HB2 PRO A 27 8.326 5.047 -17.212 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.024 5.472 -17.297 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.779 2.785 -16.792 1.00 0.00 H new ATOM 0 HG3 PRO A 27 10.327 3.157 -17.524 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.956 2.316 -14.847 1.00 0.30 H new ATOM 0 HD3 PRO A 27 11.423 3.032 -15.484 1.00 0.30 H new ATOM 458 N HIS A 28 7.133 6.490 -14.867 1.00 -0.73 N ATOM 459 CA HIS A 28 5.770 6.708 -14.376 1.00 0.36 C ATOM 460 C HIS A 28 4.765 5.688 -14.916 1.00 0.57 C ATOM 461 O HIS A 28 3.894 5.242 -14.173 1.00 -0.57 O ATOM 462 CB HIS A 28 5.311 8.133 -14.716 1.00 0.17 C ATOM 463 CG HIS A 28 5.742 8.642 -16.060 1.00 0.18 C ATOM 464 ND1 HIS A 28 6.854 9.417 -16.290 1.00 -0.70 N ATOM 465 CD2 HIS A 28 5.123 8.432 -17.261 1.00 0.20 C ATOM 466 CE1 HIS A 28 6.916 9.646 -17.613 1.00 0.65 C ATOM 467 NE2 HIS A 28 5.881 9.068 -18.249 1.00 -0.70 N ATOM 0 H HIS A 28 7.514 7.299 -15.357 1.00 -0.73 H new ATOM 0 HA HIS A 28 5.800 6.574 -13.295 1.00 0.36 H new ATOM 0 HB2 HIS A 28 4.223 8.169 -14.664 1.00 0.17 H new ATOM 0 HB3 HIS A 28 5.689 8.811 -13.951 1.00 0.17 H new ATOM 0 HD2 HIS A 28 4.211 7.875 -17.418 1.00 0.20 H new ATOM 0 HE1 HIS A 28 7.692 10.217 -18.100 1.00 0.65 H new ATOM 0 HE2 HIS A 28 5.688 9.089 -19.250 1.00 -0.70 H new ATOM 476 N ILE A 29 4.903 5.289 -16.187 1.00 -0.73 N ATOM 477 CA ILE A 29 4.069 4.251 -16.785 1.00 0.36 C ATOM 478 C ILE A 29 4.228 2.943 -16.002 1.00 0.57 C ATOM 479 O ILE A 29 3.232 2.293 -15.700 1.00 -0.57 O ATOM 480 CB ILE A 29 4.396 4.098 -18.292 1.00 0.00 C ATOM 481 CG1 ILE A 29 3.434 3.123 -19.005 1.00 0.00 C ATOM 482 CG2 ILE A 29 5.846 3.672 -18.572 1.00 0.00 C ATOM 483 CD1 ILE A 29 2.198 3.851 -19.530 1.00 0.00 C ATOM 0 H ILE A 29 5.597 5.679 -16.825 1.00 -0.73 H new ATOM 0 HA ILE A 29 3.019 4.537 -16.723 1.00 0.36 H new ATOM 0 HB ILE A 29 4.261 5.100 -18.699 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.952 2.637 -19.832 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.130 2.337 -18.313 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.999 3.586 -19.648 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.529 4.419 -18.167 1.00 0.00 H new ATOM 0 HG23 ILE A 29 6.040 2.709 -18.100 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.540 3.138 -20.027 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.668 4.315 -18.698 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.503 4.620 -20.240 1.00 0.00 H new ATOM 495 N THR A 30 5.464 2.583 -15.637 1.00 -0.73 N ATOM 496 CA THR A 30 5.767 1.391 -14.868 1.00 0.36 C ATOM 497 C THR A 30 5.268 1.582 -13.439 1.00 0.57 C ATOM 498 O THR A 30 4.664 0.659 -12.917 1.00 -0.57 O ATOM 499 CB THR A 30 7.272 1.096 -14.953 1.00 0.28 C ATOM 500 OG1 THR A 30 7.589 0.705 -16.278 1.00 -0.68 O ATOM 501 CG2 THR A 30 7.775 0.003 -14.011 1.00 0.00 C ATOM 0 H THR A 30 6.291 3.129 -15.877 1.00 -0.73 H new ATOM 0 HA THR A 30 5.254 0.519 -15.274 1.00 0.36 H new ATOM 0 HB THR A 30 7.765 2.019 -14.649 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.548 0.516 -16.343 1.00 -0.68 H new ATOM 0 HG21 THR A 30 8.848 -0.130 -14.148 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.573 0.291 -12.979 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.263 -0.933 -14.233 1.00 0.00 H new ATOM 509 N VAL A 31 5.433 2.762 -12.828 1.00 -0.73 N ATOM 510 CA VAL A 31 4.869 3.052 -11.511 1.00 0.36 C ATOM 511 C VAL A 31 3.362 2.785 -11.525 1.00 0.57 C ATOM 512 O VAL A 31 2.894 2.018 -10.688 1.00 -0.57 O ATOM 513 CB VAL A 31 5.221 4.496 -11.099 1.00 0.00 C ATOM 514 CG1 VAL A 31 4.455 5.007 -9.881 1.00 0.00 C ATOM 515 CG2 VAL A 31 6.701 4.614 -10.749 1.00 0.00 C ATOM 0 H VAL A 31 5.959 3.536 -13.233 1.00 -0.73 H new ATOM 0 HA VAL A 31 5.302 2.393 -10.759 1.00 0.36 H new ATOM 0 HB VAL A 31 4.946 5.095 -11.967 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.763 6.029 -9.660 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.385 4.987 -10.089 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.669 4.370 -9.023 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.926 5.641 -10.461 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.933 3.946 -9.920 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.303 4.340 -11.615 1.00 0.00 H new ATOM 525 N ASP A 32 2.615 3.353 -12.482 1.00 -0.73 N ATOM 526 CA ASP A 32 1.168 3.156 -12.574 1.00 0.36 C ATOM 527 C ASP A 32 0.831 1.704 -12.903 1.00 0.57 C ATOM 528 O ASP A 32 -0.024 1.114 -12.251 1.00 -0.57 O ATOM 529 CB ASP A 32 0.550 4.133 -13.593 1.00 0.06 C ATOM 530 CG ASP A 32 -0.952 4.403 -13.376 1.00 0.66 C ATOM 531 OD1 ASP A 32 -1.656 3.535 -12.887 1.00 -0.57 O ATOM 532 OD2 ASP A 32 -1.410 5.614 -13.681 1.00 -0.65 O ATOM 0 H ASP A 32 2.997 3.958 -13.209 1.00 -0.73 H new ATOM 0 HA ASP A 32 0.729 3.374 -11.601 1.00 0.36 H new ATOM 0 HB2 ASP A 32 1.089 5.079 -13.545 1.00 0.06 H new ATOM 0 HB3 ASP A 32 0.695 3.734 -14.597 1.00 0.06 H new ATOM 538 N ARG A 33 1.539 1.079 -13.849 1.00 -0.73 N ATOM 539 CA ARG A 33 1.311 -0.323 -14.196 1.00 0.36 C ATOM 540 C ARG A 33 1.544 -1.252 -13.011 1.00 0.57 C ATOM 541 O ARG A 33 0.780 -2.201 -12.832 1.00 -0.57 O ATOM 542 CB ARG A 33 2.214 -0.736 -15.371 1.00 0.00 C ATOM 543 CG ARG A 33 1.596 -0.378 -16.731 1.00 0.00 C ATOM 544 CD ARG A 33 0.331 -1.209 -17.028 1.00 0.33 C ATOM 545 NE ARG A 33 0.523 -2.172 -18.132 1.00 -0.84 N ATOM 546 CZ ARG A 33 1.018 -3.418 -18.034 1.00 1.20 C ATOM 547 NH1 ARG A 33 1.405 -3.910 -16.858 1.00 -0.97 N ATOM 548 NH2 ARG A 33 1.121 -4.212 -19.099 1.00 -0.97 N ATOM 0 H ARG A 33 2.279 1.527 -14.390 1.00 -0.73 H new ATOM 0 HA ARG A 33 0.265 -0.417 -14.489 1.00 0.36 H new ATOM 0 HB2 ARG A 33 3.182 -0.245 -15.273 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.396 -1.810 -15.328 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.345 0.683 -16.747 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.332 -0.544 -17.518 1.00 0.00 H new ATOM 0 HD2 ARG A 33 0.038 -1.749 -16.128 1.00 0.33 H new ATOM 0 HD3 ARG A 33 -0.489 -0.536 -17.278 1.00 0.33 H new ATOM 0 HE ARG A 33 0.252 -1.859 -19.064 1.00 -0.84 H new ATOM 0 HH11 ARG A 33 1.328 -3.339 -16.016 1.00 -0.97 H new ATOM 0 HH12 ARG A 33 1.779 -4.857 -16.800 1.00 -0.97 H new ATOM 0 HH21 ARG A 33 0.821 -3.878 -20.015 1.00 -0.97 H new ATOM 0 HH22 ARG A 33 1.500 -5.154 -18.998 1.00 -0.97 H new ATOM 562 N LEU A 34 2.586 -0.993 -12.220 1.00 -0.73 N ATOM 563 CA LEU A 34 2.880 -1.746 -11.019 1.00 0.36 C ATOM 564 C LEU A 34 1.802 -1.441 -9.987 1.00 0.57 C ATOM 565 O LEU A 34 1.227 -2.384 -9.459 1.00 -0.57 O ATOM 566 CB LEU A 34 4.302 -1.427 -10.521 1.00 0.00 C ATOM 567 CG LEU A 34 5.412 -2.294 -11.169 1.00 0.00 C ATOM 568 CD1 LEU A 34 5.285 -2.575 -12.677 1.00 0.00 C ATOM 569 CD2 LEU A 34 6.766 -1.667 -10.840 1.00 0.00 C ATOM 0 H LEU A 34 3.252 -0.243 -12.405 1.00 -0.73 H new ATOM 0 HA LEU A 34 2.866 -2.818 -11.217 1.00 0.36 H new ATOM 0 HB2 LEU A 34 4.516 -0.376 -10.717 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.335 -1.563 -9.440 1.00 0.00 H new ATOM 0 HG LEU A 34 5.301 -3.286 -10.732 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.123 -3.191 -13.004 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.350 -3.101 -12.872 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.292 -1.633 -13.225 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.561 -2.263 -11.288 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.804 -0.653 -11.239 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.900 -1.637 -9.759 1.00 0.00 H new ATOM 581 N VAL A 35 1.435 -0.178 -9.745 1.00 -0.73 N ATOM 582 CA VAL A 35 0.344 0.144 -8.827 1.00 0.36 C ATOM 583 C VAL A 35 -0.949 -0.570 -9.244 1.00 0.57 C ATOM 584 O VAL A 35 -1.596 -1.171 -8.390 1.00 -0.57 O ATOM 585 CB VAL A 35 0.201 1.676 -8.653 1.00 0.00 C ATOM 586 CG1 VAL A 35 -1.175 2.252 -8.983 1.00 0.00 C ATOM 587 CG2 VAL A 35 0.534 2.081 -7.213 1.00 0.00 C ATOM 0 H VAL A 35 1.878 0.635 -10.173 1.00 -0.73 H new ATOM 0 HA VAL A 35 0.582 -0.239 -7.835 1.00 0.36 H new ATOM 0 HB VAL A 35 0.902 2.089 -9.378 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.165 3.331 -8.827 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.419 2.038 -10.024 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.924 1.799 -8.334 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.429 3.161 -7.105 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.149 1.580 -6.527 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.559 1.791 -6.981 1.00 0.00 H new ATOM 597 N SER A 36 -1.302 -0.575 -10.536 1.00 -0.73 N ATOM 598 CA SER A 36 -2.509 -1.226 -11.029 1.00 0.36 C ATOM 599 C SER A 36 -2.433 -2.738 -10.839 1.00 0.57 C ATOM 600 O SER A 36 -3.450 -3.314 -10.460 1.00 -0.57 O ATOM 601 CB SER A 36 -2.780 -0.888 -12.503 1.00 0.28 C ATOM 602 OG SER A 36 -4.012 -0.204 -12.627 1.00 -0.68 O ATOM 0 H SER A 36 -0.752 -0.124 -11.267 1.00 -0.73 H new ATOM 0 HA SER A 36 -3.341 -0.841 -10.440 1.00 0.36 H new ATOM 0 HB2 SER A 36 -1.972 -0.272 -12.897 1.00 0.28 H new ATOM 0 HB3 SER A 36 -2.802 -1.803 -13.096 1.00 0.28 H new ATOM 0 HG SER A 36 -3.889 0.738 -12.387 1.00 -0.68 H new ATOM 608 N LYS A 37 -1.262 -3.363 -11.058 1.00 -0.73 N ATOM 609 CA LYS A 37 -1.021 -4.788 -10.805 1.00 0.36 C ATOM 610 C LYS A 37 -1.070 -5.110 -9.302 1.00 0.57 C ATOM 611 O LYS A 37 -1.708 -6.086 -8.912 1.00 -0.57 O ATOM 612 CB LYS A 37 0.323 -5.217 -11.434 1.00 0.00 C ATOM 613 CG LYS A 37 0.131 -5.622 -12.907 1.00 0.00 C ATOM 614 CD LYS A 37 1.439 -5.808 -13.699 1.00 0.00 C ATOM 615 CE LYS A 37 1.758 -7.261 -14.095 1.00 0.50 C ATOM 616 NZ LYS A 37 2.795 -7.902 -13.254 1.00 -0.85 N ATOM 0 H LYS A 37 -0.442 -2.878 -11.423 1.00 -0.73 H new ATOM 0 HA LYS A 37 -1.819 -5.361 -11.276 1.00 0.36 H new ATOM 0 HB2 LYS A 37 1.039 -4.398 -11.367 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.742 -6.053 -10.874 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.435 -6.553 -12.943 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.473 -4.862 -13.403 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.387 -5.203 -14.604 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.265 -5.420 -13.103 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.843 -7.851 -14.038 1.00 0.50 H new ATOM 0 HE3 LYS A 37 2.085 -7.280 -15.134 1.00 0.50 H new ATOM 0 HZ1 LYS A 37 2.954 -8.876 -13.581 1.00 -0.85 H new ATOM 0 HZ2 LYS A 37 3.682 -7.363 -13.326 1.00 -0.85 H new ATOM 0 HZ3 LYS A 37 2.478 -7.917 -12.264 1.00 -0.85 H new ATOM 630 N ALA A 38 -0.444 -4.291 -8.455 1.00 -0.73 N ATOM 631 CA ALA A 38 -0.446 -4.435 -6.999 1.00 0.36 C ATOM 632 C ALA A 38 -1.862 -4.286 -6.434 1.00 0.57 C ATOM 633 O ALA A 38 -2.291 -5.076 -5.592 1.00 -0.57 O ATOM 634 CB ALA A 38 0.466 -3.365 -6.389 1.00 0.00 C ATOM 0 H ALA A 38 0.094 -3.485 -8.773 1.00 -0.73 H new ATOM 0 HA ALA A 38 -0.081 -5.430 -6.745 1.00 0.36 H new ATOM 0 HB1 ALA A 38 0.470 -3.466 -5.304 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.480 -3.492 -6.769 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.098 -2.376 -6.660 1.00 0.00 H new ATOM 640 N LEU A 39 -2.604 -3.290 -6.922 1.00 -0.73 N ATOM 641 CA LEU A 39 -4.002 -3.100 -6.572 1.00 0.36 C ATOM 642 C LEU A 39 -4.867 -4.209 -7.155 1.00 0.57 C ATOM 643 O LEU A 39 -5.814 -4.637 -6.499 1.00 -0.57 O ATOM 644 CB LEU A 39 -4.496 -1.728 -7.059 1.00 0.00 C ATOM 645 CG LEU A 39 -4.114 -0.594 -6.092 1.00 0.00 C ATOM 646 CD1 LEU A 39 -4.434 0.767 -6.724 1.00 0.00 C ATOM 647 CD2 LEU A 39 -4.887 -0.744 -4.774 1.00 0.00 C ATOM 0 H LEU A 39 -2.245 -2.592 -7.574 1.00 -0.73 H new ATOM 0 HA LEU A 39 -4.085 -3.138 -5.486 1.00 0.36 H new ATOM 0 HB2 LEU A 39 -4.075 -1.521 -8.043 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.580 -1.754 -7.175 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.045 -0.652 -5.889 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.160 1.563 -6.032 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.869 0.880 -7.649 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.501 0.826 -6.941 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.610 0.063 -4.096 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.958 -0.699 -4.973 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.643 -1.703 -4.316 1.00 0.00 H new ATOM 659 N ASN A 40 -4.519 -4.719 -8.344 1.00 -0.73 N ATOM 660 CA ASN A 40 -5.173 -5.890 -8.904 1.00 0.36 C ATOM 661 C ASN A 40 -5.053 -7.042 -7.933 1.00 0.57 C ATOM 662 O ASN A 40 -6.056 -7.676 -7.650 1.00 -0.57 O ATOM 663 CB ASN A 40 -4.578 -6.327 -10.250 1.00 0.06 C ATOM 664 CG ASN A 40 -5.668 -6.433 -11.291 1.00 0.57 C ATOM 665 OD1 ASN A 40 -6.314 -7.467 -11.409 1.00 -0.57 O ATOM 666 ND2 ASN A 40 -5.890 -5.370 -12.046 1.00 -0.80 N ATOM 0 H ASN A 40 -3.783 -4.330 -8.933 1.00 -0.73 H new ATOM 0 HA ASN A 40 -6.214 -5.616 -9.075 1.00 0.36 H new ATOM 0 HB2 ASN A 40 -3.824 -5.609 -10.573 1.00 0.06 H new ATOM 0 HB3 ASN A 40 -4.076 -7.288 -10.139 1.00 0.06 H new ATOM 0 HD21 ASN A 40 -6.621 -5.393 -12.757 1.00 -0.80 H new ATOM 0 HD22 ASN A 40 -5.330 -4.527 -11.917 1.00 -0.80 H new ATOM 673 N MET A 41 -3.855 -7.285 -7.391 1.00 -0.73 N ATOM 674 CA MET A 41 -3.643 -8.329 -6.406 1.00 0.36 C ATOM 675 C MET A 41 -4.563 -8.154 -5.190 1.00 0.57 C ATOM 676 O MET A 41 -5.164 -9.136 -4.768 1.00 -0.57 O ATOM 677 CB MET A 41 -2.159 -8.394 -6.012 1.00 0.00 C ATOM 678 CG MET A 41 -1.366 -9.471 -6.767 1.00 0.23 C ATOM 679 SD MET A 41 -0.122 -8.890 -7.955 1.00 -0.46 S ATOM 680 CE MET A 41 1.220 -8.495 -6.808 1.00 0.23 C ATOM 0 H MET A 41 -3.013 -6.760 -7.628 1.00 -0.73 H new ATOM 0 HA MET A 41 -3.909 -9.287 -6.853 1.00 0.36 H new ATOM 0 HB2 MET A 41 -1.701 -7.422 -6.196 1.00 0.00 H new ATOM 0 HB3 MET A 41 -2.085 -8.584 -4.941 1.00 0.00 H new ATOM 0 HG2 MET A 41 -0.866 -10.102 -6.032 1.00 0.23 H new ATOM 0 HG3 MET A 41 -2.075 -10.104 -7.300 1.00 0.23 H new ATOM 0 HE1 MET A 41 1.731 -7.592 -7.143 1.00 0.23 H new ATOM 0 HE2 MET A 41 0.810 -8.331 -5.811 1.00 0.23 H new ATOM 0 HE3 MET A 41 1.928 -9.323 -6.778 1.00 0.23 H new ATOM 690 N TRP A 42 -4.756 -6.928 -4.680 1.00 -0.73 N ATOM 691 CA TRP A 42 -5.724 -6.674 -3.607 1.00 0.36 C ATOM 692 C TRP A 42 -7.161 -6.984 -4.063 1.00 0.57 C ATOM 693 O TRP A 42 -7.887 -7.704 -3.377 1.00 -0.57 O ATOM 694 CB TRP A 42 -5.568 -5.230 -3.094 1.00 0.18 C ATOM 695 CG TRP A 42 -4.569 -5.060 -1.987 1.00 -0.18 C ATOM 696 CD1 TRP A 42 -3.248 -4.787 -2.109 1.00 -0.30 C ATOM 697 CD2 TRP A 42 -4.811 -5.169 -0.550 1.00 0.00 C ATOM 698 NE1 TRP A 42 -2.671 -4.733 -0.852 1.00 0.03 N ATOM 699 CE2 TRP A 42 -3.573 -5.052 0.134 1.00 -0.15 C ATOM 700 CE3 TRP A 42 -5.960 -5.361 0.240 1.00 -0.15 C ATOM 701 CZ2 TRP A 42 -3.464 -5.201 1.521 1.00 -0.15 C ATOM 702 CZ3 TRP A 42 -5.872 -5.465 1.644 1.00 -0.15 C ATOM 703 CH2 TRP A 42 -4.624 -5.409 2.284 1.00 -0.15 C ATOM 0 H TRP A 42 -4.253 -6.098 -4.995 1.00 -0.73 H new ATOM 0 HA TRP A 42 -5.517 -7.348 -2.776 1.00 0.36 H new ATOM 0 HB2 TRP A 42 -5.277 -4.592 -3.929 1.00 0.18 H new ATOM 0 HB3 TRP A 42 -6.538 -4.876 -2.746 1.00 0.18 H new ATOM 0 HD1 TRP A 42 -2.726 -4.635 -3.042 1.00 -0.30 H new ATOM 0 HE1 TRP A 42 -1.696 -4.487 -0.679 1.00 0.03 H new ATOM 0 HE3 TRP A 42 -6.926 -5.430 -0.237 1.00 -0.15 H new ATOM 0 HZ2 TRP A 42 -2.497 -5.156 2.000 1.00 -0.15 H new ATOM 0 HZ3 TRP A 42 -6.771 -5.589 2.230 1.00 -0.15 H new ATOM 0 HH2 TRP A 42 -4.557 -5.525 3.356 1.00 -0.15 H new ATOM 714 N GLY A 43 -7.566 -6.516 -5.250 1.00 -0.73 N ATOM 715 CA GLY A 43 -8.881 -6.807 -5.835 1.00 0.36 C ATOM 716 C GLY A 43 -9.065 -8.257 -6.279 1.00 0.57 C ATOM 717 O GLY A 43 -10.173 -8.674 -6.604 1.00 -0.57 O ATOM 0 H GLY A 43 -6.984 -5.919 -5.837 1.00 -0.73 H new ATOM 0 HA2 GLY A 43 -9.653 -6.562 -5.105 1.00 0.36 H new ATOM 0 HA3 GLY A 43 -9.036 -6.154 -6.694 1.00 0.36 H new ATOM 721 N LYS A 44 -7.992 -9.048 -6.309 1.00 -0.73 N ATOM 722 CA LYS A 44 -8.065 -10.463 -6.625 1.00 0.36 C ATOM 723 C LYS A 44 -8.494 -11.279 -5.407 1.00 0.57 C ATOM 724 O LYS A 44 -8.738 -12.474 -5.548 1.00 -0.57 O ATOM 725 CB LYS A 44 -6.724 -10.927 -7.212 1.00 0.00 C ATOM 726 CG LYS A 44 -6.943 -11.804 -8.447 1.00 0.00 C ATOM 727 CD LYS A 44 -5.655 -11.838 -9.274 1.00 0.00 C ATOM 728 CE LYS A 44 -5.730 -12.966 -10.302 1.00 0.50 C ATOM 729 NZ LYS A 44 -4.374 -13.360 -10.738 1.00 -0.85 N ATOM 0 H LYS A 44 -7.047 -8.718 -6.113 1.00 -0.73 H new ATOM 0 HA LYS A 44 -8.833 -10.628 -7.381 1.00 0.36 H new ATOM 0 HB2 LYS A 44 -6.120 -10.060 -7.479 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.166 -11.484 -6.459 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.223 -12.814 -8.146 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.764 -11.411 -9.046 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.511 -10.883 -9.779 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.796 -11.986 -8.620 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.244 -13.825 -9.871 1.00 0.50 H new ATOM 0 HE3 LYS A 44 -6.316 -12.643 -11.163 1.00 0.50 H new ATOM 0 HZ1 LYS A 44 -4.443 -14.127 -11.436 1.00 -0.85 H new ATOM 0 HZ2 LYS A 44 -3.896 -12.542 -11.168 1.00 -0.85 H new ATOM 0 HZ3 LYS A 44 -3.827 -13.688 -9.917 1.00 -0.85 H new ATOM 743 N GLU A 45 -8.626 -10.632 -4.244 1.00 -0.73 N ATOM 744 CA GLU A 45 -8.990 -11.278 -2.995 1.00 0.36 C ATOM 745 C GLU A 45 -10.367 -10.829 -2.509 1.00 0.57 C ATOM 746 O GLU A 45 -10.988 -11.547 -1.727 1.00 -0.57 O ATOM 747 CB GLU A 45 -7.939 -10.956 -1.929 1.00 0.00 C ATOM 748 CG GLU A 45 -6.495 -11.275 -2.310 1.00 0.06 C ATOM 749 CD GLU A 45 -6.177 -12.773 -2.238 1.00 0.66 C ATOM 750 OE1 GLU A 45 -7.055 -13.580 -2.494 1.00 -0.57 O ATOM 751 OE2 GLU A 45 -4.940 -13.089 -1.865 1.00 -0.65 O ATOM 0 H GLU A 45 -8.479 -9.627 -4.151 1.00 -0.73 H new ATOM 0 HA GLU A 45 -9.030 -12.353 -3.170 1.00 0.36 H new ATOM 0 HB2 GLU A 45 -8.006 -9.895 -1.686 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.187 -11.507 -1.022 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.303 -10.916 -3.321 1.00 0.06 H new ATOM 0 HG3 GLU A 45 -5.821 -10.733 -1.646 1.00 0.06 H new ATOM 759 N ILE A 46 -10.864 -9.678 -2.982 1.00 -0.73 N ATOM 760 CA ILE A 46 -12.153 -9.110 -2.594 1.00 0.36 C ATOM 761 C ILE A 46 -12.890 -8.594 -3.821 1.00 0.57 C ATOM 762 O ILE A 46 -12.244 -8.103 -4.738 1.00 -0.57 O ATOM 763 CB ILE A 46 -11.990 -7.971 -1.561 1.00 0.00 C ATOM 764 CG1 ILE A 46 -10.868 -6.945 -1.855 1.00 0.00 C ATOM 765 CG2 ILE A 46 -11.772 -8.658 -0.225 1.00 0.00 C ATOM 766 CD1 ILE A 46 -10.874 -5.726 -0.915 1.00 0.00 C ATOM 0 H ILE A 46 -10.364 -9.105 -3.662 1.00 -0.73 H new ATOM 0 HA ILE A 46 -12.735 -9.904 -2.127 1.00 0.36 H new ATOM 0 HB ILE A 46 -12.887 -7.352 -1.587 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.903 -7.445 -1.779 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.967 -6.598 -2.884 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.649 -7.906 0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.634 -9.284 0.007 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.877 -9.278 -0.276 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -10.059 -5.054 -1.185 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.824 -5.200 -1.008 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.743 -6.060 0.114 1.00 0.00 H new ATOM 778 N PRO A 47 -14.236 -8.597 -3.832 1.00 -0.66 N ATOM 779 CA PRO A 47 -15.033 -8.095 -4.948 1.00 0.36 C ATOM 780 C PRO A 47 -15.013 -6.553 -5.063 1.00 0.57 C ATOM 781 O PRO A 47 -15.882 -5.961 -5.711 1.00 -0.57 O ATOM 782 CB PRO A 47 -16.435 -8.670 -4.709 1.00 0.00 C ATOM 783 CG PRO A 47 -16.531 -8.867 -3.196 1.00 0.00 C ATOM 784 CD PRO A 47 -15.088 -9.022 -2.727 1.00 0.30 C ATOM 0 HA PRO A 47 -14.629 -8.412 -5.910 1.00 0.36 H new ATOM 0 HB2 PRO A 47 -17.207 -7.989 -5.068 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -16.570 -9.613 -5.239 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -17.013 -8.015 -2.717 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -17.123 -9.748 -2.949 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -14.903 -8.415 -1.841 1.00 0.30 H new ATOM 0 HD3 PRO A 47 -14.879 -10.057 -2.454 1.00 0.30 H new ATOM 792 N LEU A 48 -14.058 -5.890 -4.408 1.00 -0.73 N ATOM 793 CA LEU A 48 -13.876 -4.451 -4.434 1.00 0.36 C ATOM 794 C LEU A 48 -13.103 -4.106 -5.707 1.00 0.57 C ATOM 795 O LEU A 48 -12.222 -4.861 -6.116 1.00 -0.57 O ATOM 796 CB LEU A 48 -13.130 -4.054 -3.148 1.00 0.00 C ATOM 797 CG LEU A 48 -13.386 -2.602 -2.704 1.00 0.00 C ATOM 798 CD1 LEU A 48 -13.358 -2.516 -1.171 1.00 0.00 C ATOM 799 CD2 LEU A 48 -12.363 -1.637 -3.300 1.00 0.00 C ATOM 0 H LEU A 48 -13.368 -6.365 -3.825 1.00 -0.73 H new ATOM 0 HA LEU A 48 -14.816 -3.899 -4.457 1.00 0.36 H new ATOM 0 HB2 LEU A 48 -13.427 -4.728 -2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -12.060 -4.194 -3.302 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.369 -2.308 -3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.540 -1.487 -0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -14.132 -3.162 -0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -12.383 -2.838 -0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.579 -0.623 -2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.362 -1.922 -2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.417 -1.676 -4.388 1.00 0.00 H new ATOM 811 N HIS A 49 -13.442 -2.982 -6.340 1.00 -0.73 N ATOM 812 CA HIS A 49 -12.888 -2.591 -7.629 1.00 0.36 C ATOM 813 C HIS A 49 -12.288 -1.191 -7.522 1.00 0.57 C ATOM 814 O HIS A 49 -12.459 -0.484 -6.526 1.00 -0.57 O ATOM 815 CB HIS A 49 -13.982 -2.661 -8.703 1.00 0.17 C ATOM 816 CG HIS A 49 -14.441 -4.062 -9.039 1.00 0.18 C ATOM 817 ND1 HIS A 49 -15.177 -4.924 -8.252 1.00 -0.70 N ATOM 818 CD2 HIS A 49 -14.214 -4.710 -10.225 1.00 0.20 C ATOM 819 CE1 HIS A 49 -15.384 -6.049 -8.956 1.00 0.65 C ATOM 820 NE2 HIS A 49 -14.834 -5.962 -10.181 1.00 -0.70 N ATOM 0 H HIS A 49 -14.116 -2.314 -5.965 1.00 -0.73 H new ATOM 0 HA HIS A 49 -12.092 -3.276 -7.919 1.00 0.36 H new ATOM 0 HB2 HIS A 49 -14.842 -2.081 -8.367 1.00 0.17 H new ATOM 0 HB3 HIS A 49 -13.613 -2.185 -9.612 1.00 0.17 H new ATOM 0 HD1 HIS A 49 -15.505 -4.740 -7.304 1.00 -0.70 H new ATOM 0 HD2 HIS A 49 -13.649 -4.318 -11.057 1.00 0.20 H new ATOM 0 HE1 HIS A 49 -15.921 -6.910 -8.587 1.00 0.65 H new ATOM 829 N PHE A 50 -11.573 -0.769 -8.562 1.00 -0.73 N ATOM 830 CA PHE A 50 -10.823 0.468 -8.524 1.00 0.36 C ATOM 831 C PHE A 50 -10.962 1.168 -9.861 1.00 0.57 C ATOM 832 O PHE A 50 -11.333 0.564 -10.873 1.00 -0.57 O ATOM 833 CB PHE A 50 -9.339 0.253 -8.150 1.00 0.14 C ATOM 834 CG PHE A 50 -9.068 -0.876 -7.176 1.00 -0.14 C ATOM 835 CD1 PHE A 50 -9.138 -2.200 -7.640 1.00 -0.15 C ATOM 836 CD2 PHE A 50 -8.773 -0.627 -5.823 1.00 -0.15 C ATOM 837 CE1 PHE A 50 -8.989 -3.269 -6.750 1.00 -0.15 C ATOM 838 CE2 PHE A 50 -8.565 -1.706 -4.946 1.00 -0.15 C ATOM 839 CZ PHE A 50 -8.693 -3.029 -5.399 1.00 -0.15 C ATOM 0 H PHE A 50 -11.502 -1.275 -9.445 1.00 -0.73 H new ATOM 0 HA PHE A 50 -11.237 1.097 -7.736 1.00 0.36 H new ATOM 0 HB2 PHE A 50 -8.776 0.064 -9.064 1.00 0.14 H new ATOM 0 HB3 PHE A 50 -8.952 1.178 -7.723 1.00 0.14 H new ATOM 0 HD1 PHE A 50 -9.308 -2.394 -8.689 1.00 -0.15 H new ATOM 0 HD2 PHE A 50 -8.707 0.388 -5.460 1.00 -0.15 H new ATOM 0 HE1 PHE A 50 -9.102 -4.283 -7.104 1.00 -0.15 H new ATOM 0 HE2 PHE A 50 -8.305 -1.516 -3.915 1.00 -0.15 H new ATOM 0 HZ PHE A 50 -8.565 -3.854 -4.714 1.00 -0.15 H new ATOM 849 N ARG A 51 -10.648 2.459 -9.846 1.00 -0.73 N ATOM 850 CA ARG A 51 -10.665 3.308 -11.016 1.00 0.36 C ATOM 851 C ARG A 51 -9.491 4.268 -10.947 1.00 0.57 C ATOM 852 O ARG A 51 -8.695 4.251 -10.004 1.00 -0.57 O ATOM 853 CB ARG A 51 -12.025 4.028 -11.128 1.00 0.00 C ATOM 854 CG ARG A 51 -12.748 3.616 -12.418 1.00 0.00 C ATOM 855 CD ARG A 51 -14.189 4.127 -12.403 1.00 0.33 C ATOM 856 NE ARG A 51 -14.904 3.783 -13.638 1.00 -0.84 N ATOM 857 CZ ARG A 51 -16.115 4.240 -13.983 1.00 1.20 C ATOM 858 NH1 ARG A 51 -16.814 5.016 -13.152 1.00 -0.97 N ATOM 859 NH2 ARG A 51 -16.606 3.918 -15.176 1.00 -0.97 N ATOM 0 H ARG A 51 -10.369 2.949 -8.996 1.00 -0.73 H new ATOM 0 HA ARG A 51 -10.553 2.714 -11.923 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -12.644 3.785 -10.264 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.873 5.107 -11.118 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.221 4.018 -13.283 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.741 2.531 -12.517 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.716 3.703 -11.548 1.00 0.33 H new ATOM 0 HD3 ARG A 51 -14.189 5.209 -12.273 1.00 0.33 H new ATOM 0 HE ARG A 51 -14.442 3.145 -14.285 1.00 -0.84 H new ATOM 0 HH11 ARG A 51 -16.427 5.268 -12.242 1.00 -0.97 H new ATOM 0 HH12 ARG A 51 -17.735 5.358 -13.427 1.00 -0.97 H new ATOM 0 HH21 ARG A 51 -16.062 3.333 -15.810 1.00 -0.97 H new ATOM 0 HH22 ARG A 51 -17.526 4.256 -15.457 1.00 -0.97 H new ATOM 873 N LYS A 52 -9.400 5.105 -11.972 1.00 -0.73 N ATOM 874 CA LYS A 52 -8.357 6.086 -12.112 1.00 0.36 C ATOM 875 C LYS A 52 -9.028 7.366 -12.552 1.00 0.57 C ATOM 876 O LYS A 52 -9.877 7.335 -13.443 1.00 -0.57 O ATOM 877 CB LYS A 52 -7.338 5.575 -13.132 1.00 0.00 C ATOM 878 CG LYS A 52 -6.123 6.512 -13.181 1.00 0.00 C ATOM 879 CD LYS A 52 -4.793 5.744 -13.174 1.00 0.00 C ATOM 880 CE LYS A 52 -3.812 6.417 -12.217 1.00 0.50 C ATOM 881 NZ LYS A 52 -3.334 7.693 -12.770 1.00 -0.85 N ATOM 0 H LYS A 52 -10.070 5.113 -12.741 1.00 -0.73 H new ATOM 0 HA LYS A 52 -7.815 6.268 -11.184 1.00 0.36 H new ATOM 0 HB2 LYS A 52 -7.019 4.567 -12.865 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.799 5.513 -14.118 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.179 7.129 -14.078 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.154 7.188 -12.327 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.961 4.711 -12.870 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.373 5.716 -14.180 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.296 6.591 -11.256 1.00 0.50 H new ATOM 0 HE3 LYS A 52 -2.965 5.756 -12.033 1.00 0.50 H new ATOM 0 HZ1 LYS A 52 -2.865 8.242 -12.021 1.00 -0.85 H new ATOM 0 HZ2 LYS A 52 -2.658 7.507 -13.538 1.00 -0.85 H new ATOM 0 HZ3 LYS A 52 -4.141 8.234 -13.142 1.00 -0.85 H new ATOM 895 N VAL A 53 -8.656 8.471 -11.913 1.00 -0.73 N ATOM 896 CA VAL A 53 -9.112 9.792 -12.306 1.00 0.36 C ATOM 897 C VAL A 53 -8.269 10.296 -13.476 1.00 0.57 C ATOM 898 O VAL A 53 -7.141 9.847 -13.700 1.00 -0.57 O ATOM 899 CB VAL A 53 -9.031 10.776 -11.123 1.00 0.00 C ATOM 900 CG1 VAL A 53 -9.850 10.307 -9.918 1.00 0.00 C ATOM 901 CG2 VAL A 53 -7.585 10.987 -10.683 1.00 0.00 C ATOM 0 H VAL A 53 -8.029 8.471 -11.108 1.00 -0.73 H new ATOM 0 HA VAL A 53 -10.155 9.726 -12.615 1.00 0.36 H new ATOM 0 HB VAL A 53 -9.450 11.716 -11.482 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.760 11.035 -9.111 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.897 10.211 -10.205 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.477 9.341 -9.578 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.557 11.686 -9.847 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.156 10.034 -10.374 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.007 11.392 -11.514 1.00 0.00 H new ATOM 911 N VAL A 54 -8.804 11.310 -14.153 1.00 -0.73 N ATOM 912 CA VAL A 54 -8.135 12.012 -15.237 1.00 0.36 C ATOM 913 C VAL A 54 -7.767 13.444 -14.812 1.00 0.57 C ATOM 914 O VAL A 54 -6.730 13.948 -15.246 1.00 -0.57 O ATOM 915 CB VAL A 54 -9.007 11.938 -16.513 1.00 0.00 C ATOM 916 CG1 VAL A 54 -9.168 10.475 -16.967 1.00 0.00 C ATOM 917 CG2 VAL A 54 -10.411 12.545 -16.330 1.00 0.00 C ATOM 0 H VAL A 54 -9.737 11.672 -13.955 1.00 -0.73 H new ATOM 0 HA VAL A 54 -7.188 11.528 -15.475 1.00 0.36 H new ATOM 0 HB VAL A 54 -8.482 12.527 -17.265 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.784 10.439 -17.866 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.187 10.051 -17.182 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.647 9.899 -16.175 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -10.969 12.460 -17.263 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -10.939 12.009 -15.541 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.320 13.596 -16.056 1.00 0.00 H new ATOM 927 N TRP A 55 -8.556 14.056 -13.909 1.00 -0.73 N ATOM 928 CA TRP A 55 -8.385 15.437 -13.457 1.00 0.36 C ATOM 929 C TRP A 55 -7.045 15.610 -12.746 1.00 0.57 C ATOM 930 O TRP A 55 -6.189 16.363 -13.210 1.00 -0.57 O ATOM 931 CB TRP A 55 -9.566 15.860 -12.549 1.00 0.18 C ATOM 932 CG TRP A 55 -10.269 17.110 -12.977 1.00 -0.18 C ATOM 933 CD1 TRP A 55 -10.497 18.206 -12.219 1.00 -0.30 C ATOM 934 CD2 TRP A 55 -10.818 17.423 -14.292 1.00 0.00 C ATOM 935 NE1 TRP A 55 -11.147 19.169 -12.965 1.00 0.03 N ATOM 936 CE2 TRP A 55 -11.390 18.729 -14.253 1.00 -0.15 C ATOM 937 CE3 TRP A 55 -10.870 16.732 -15.521 1.00 -0.15 C ATOM 938 CZ2 TRP A 55 -12.003 19.305 -15.378 1.00 -0.15 C ATOM 939 CZ3 TRP A 55 -11.471 17.301 -16.656 1.00 -0.15 C ATOM 940 CH2 TRP A 55 -12.046 18.582 -16.585 1.00 -0.15 C ATOM 0 H TRP A 55 -9.347 13.587 -13.467 1.00 -0.73 H new ATOM 0 HA TRP A 55 -8.383 16.091 -14.329 1.00 0.36 H new ATOM 0 HB2 TRP A 55 -10.290 15.046 -12.515 1.00 0.18 H new ATOM 0 HB3 TRP A 55 -9.194 15.998 -11.534 1.00 0.18 H new ATOM 0 HD1 TRP A 55 -10.213 18.313 -11.183 1.00 -0.30 H new ATOM 0 HE1 TRP A 55 -11.414 20.088 -12.611 1.00 0.03 H new ATOM 0 HE3 TRP A 55 -10.438 15.744 -15.591 1.00 -0.15 H new ATOM 0 HZ2 TRP A 55 -12.437 20.292 -15.318 1.00 -0.15 H new ATOM 0 HZ3 TRP A 55 -11.491 16.753 -17.586 1.00 -0.15 H new ATOM 0 HH2 TRP A 55 -12.520 19.011 -17.455 1.00 -0.15 H new ATOM 951 N GLY A 56 -6.854 14.869 -11.650 1.00 -0.73 N ATOM 952 CA GLY A 56 -5.623 14.901 -10.896 1.00 0.36 C ATOM 953 C GLY A 56 -5.807 14.177 -9.577 1.00 0.57 C ATOM 954 O GLY A 56 -5.584 12.980 -9.522 1.00 -0.57 O ATOM 0 H GLY A 56 -7.556 14.234 -11.271 1.00 -0.73 H new ATOM 0 HA2 GLY A 56 -4.823 14.433 -11.469 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -5.324 15.933 -10.715 1.00 0.36 H new ATOM 958 N THR A 57 -6.194 14.863 -8.504 1.00 -0.73 N ATOM 959 CA THR A 57 -6.348 14.209 -7.202 1.00 0.36 C ATOM 960 C THR A 57 -7.437 13.111 -7.233 1.00 0.57 C ATOM 961 O THR A 57 -8.371 13.182 -8.035 1.00 -0.57 O ATOM 962 CB THR A 57 -6.570 15.281 -6.126 1.00 0.28 C ATOM 963 OG1 THR A 57 -6.314 14.705 -4.869 1.00 -0.68 O ATOM 964 CG2 THR A 57 -7.962 15.919 -6.190 1.00 0.00 C ATOM 0 H THR A 57 -6.405 15.861 -8.507 1.00 -0.73 H new ATOM 0 HA THR A 57 -5.433 13.674 -6.946 1.00 0.36 H new ATOM 0 HB THR A 57 -5.878 16.104 -6.306 1.00 0.28 H new ATOM 0 HG1 THR A 57 -6.449 15.376 -4.168 1.00 -0.68 H new ATOM 0 HG21 THR A 57 -8.055 16.668 -5.404 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.100 16.394 -7.161 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.722 15.150 -6.050 1.00 0.00 H new ATOM 972 N ALA A 58 -7.326 12.109 -6.350 1.00 -0.73 N ATOM 973 CA ALA A 58 -8.208 10.941 -6.284 1.00 0.36 C ATOM 974 C ALA A 58 -8.453 10.552 -4.822 1.00 0.57 C ATOM 975 O ALA A 58 -8.097 11.317 -3.923 1.00 -0.57 O ATOM 976 CB ALA A 58 -7.592 9.787 -7.077 1.00 0.00 C ATOM 0 H ALA A 58 -6.595 12.091 -5.639 1.00 -0.73 H new ATOM 0 HA ALA A 58 -9.173 11.182 -6.730 1.00 0.36 H new ATOM 0 HB1 ALA A 58 -8.250 8.919 -7.027 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.466 10.087 -8.117 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -6.621 9.532 -6.653 1.00 0.00 H new ATOM 982 N ASP A 59 -9.076 9.398 -4.564 1.00 -0.73 N ATOM 983 CA ASP A 59 -9.308 8.937 -3.195 1.00 0.36 C ATOM 984 C ASP A 59 -7.969 8.514 -2.599 1.00 0.57 C ATOM 985 O ASP A 59 -7.684 8.835 -1.446 1.00 -0.57 O ATOM 986 CB ASP A 59 -10.328 7.781 -3.129 1.00 0.06 C ATOM 987 CG ASP A 59 -11.754 8.169 -3.547 1.00 0.66 C ATOM 988 OD1 ASP A 59 -12.607 7.297 -3.521 1.00 -0.57 O ATOM 989 OD2 ASP A 59 -12.003 9.427 -3.901 1.00 -0.65 O ATOM 0 H ASP A 59 -9.428 8.768 -5.285 1.00 -0.73 H new ATOM 0 HA ASP A 59 -9.739 9.755 -2.618 1.00 0.36 H new ATOM 0 HB2 ASP A 59 -9.982 6.970 -3.770 1.00 0.06 H new ATOM 0 HB3 ASP A 59 -10.354 7.393 -2.111 1.00 0.06 H new ATOM 995 N ILE A 60 -7.117 7.879 -3.414 1.00 -0.73 N ATOM 996 CA ILE A 60 -5.804 7.378 -3.034 1.00 0.36 C ATOM 997 C ILE A 60 -4.792 7.921 -4.025 1.00 0.57 C ATOM 998 O ILE A 60 -4.544 7.356 -5.092 1.00 -0.57 O ATOM 999 CB ILE A 60 -5.858 5.848 -2.972 1.00 0.00 C ATOM 1000 CG1 ILE A 60 -6.607 5.449 -1.692 1.00 0.00 C ATOM 1001 CG2 ILE A 60 -4.500 5.138 -2.944 1.00 0.00 C ATOM 1002 CD1 ILE A 60 -7.524 4.273 -1.964 1.00 0.00 C ATOM 0 H ILE A 60 -7.339 7.697 -4.393 1.00 -0.73 H new ATOM 0 HA ILE A 60 -5.498 7.714 -2.043 1.00 0.36 H new ATOM 0 HB ILE A 60 -6.350 5.535 -3.893 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.893 5.189 -0.911 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.188 6.295 -1.324 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.654 4.060 -2.900 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.940 5.388 -3.845 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.939 5.460 -2.067 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.048 4.001 -1.048 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -8.250 4.547 -2.730 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.934 3.424 -2.310 1.00 0.00 H new ATOM 1014 N MET A 61 -4.238 9.075 -3.691 1.00 -0.73 N ATOM 1015 CA MET A 61 -3.116 9.602 -4.424 1.00 0.36 C ATOM 1016 C MET A 61 -1.831 8.922 -3.933 1.00 0.57 C ATOM 1017 O MET A 61 -1.721 8.506 -2.778 1.00 -0.57 O ATOM 1018 CB MET A 61 -3.098 11.128 -4.309 1.00 0.00 C ATOM 1019 CG MET A 61 -2.438 11.616 -3.024 1.00 0.23 C ATOM 1020 SD MET A 61 -0.646 11.892 -3.056 1.00 -0.46 S ATOM 1021 CE MET A 61 -0.645 13.689 -2.921 1.00 0.23 C ATOM 0 H MET A 61 -4.552 9.659 -2.916 1.00 -0.73 H new ATOM 0 HA MET A 61 -3.198 9.381 -5.488 1.00 0.36 H new ATOM 0 HB2 MET A 61 -2.569 11.546 -5.165 1.00 0.00 H new ATOM 0 HB3 MET A 61 -4.121 11.503 -4.352 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.917 12.551 -2.734 1.00 0.23 H new ATOM 0 HG3 MET A 61 -2.653 10.891 -2.239 1.00 0.23 H new ATOM 0 HE1 MET A 61 0.303 14.081 -3.289 1.00 0.23 H new ATOM 0 HE2 MET A 61 -1.462 14.099 -3.515 1.00 0.23 H new ATOM 0 HE3 MET A 61 -0.776 13.976 -1.877 1.00 0.23 H new ATOM 1031 N ILE A 62 -0.835 8.875 -4.810 1.00 -0.73 N ATOM 1032 CA ILE A 62 0.508 8.423 -4.516 1.00 0.36 C ATOM 1033 C ILE A 62 1.429 9.573 -4.940 1.00 0.57 C ATOM 1034 O ILE A 62 1.225 10.188 -5.990 1.00 -0.57 O ATOM 1035 CB ILE A 62 0.771 7.080 -5.241 1.00 0.00 C ATOM 1036 CG1 ILE A 62 -0.212 5.954 -4.808 1.00 0.00 C ATOM 1037 CG2 ILE A 62 2.204 6.611 -4.960 1.00 0.00 C ATOM 1038 CD1 ILE A 62 -1.120 5.472 -5.945 1.00 0.00 C ATOM 0 H ILE A 62 -0.952 9.163 -5.781 1.00 -0.73 H new ATOM 0 HA ILE A 62 0.683 8.206 -3.462 1.00 0.36 H new ATOM 0 HB ILE A 62 0.619 7.266 -6.304 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.360 5.109 -4.426 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.831 6.317 -3.987 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.384 5.666 -5.472 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.909 7.360 -5.321 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.338 6.474 -3.887 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.780 4.687 -5.576 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.718 6.306 -6.312 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.509 5.079 -6.757 1.00 0.00 H new ATOM 1050 N GLY A 63 2.436 9.878 -4.117 1.00 -0.73 N ATOM 1051 CA GLY A 63 3.442 10.882 -4.419 1.00 0.36 C ATOM 1052 C GLY A 63 4.776 10.527 -3.772 1.00 0.57 C ATOM 1053 O GLY A 63 4.837 9.684 -2.883 1.00 -0.57 O ATOM 0 H GLY A 63 2.571 9.425 -3.213 1.00 -0.73 H new ATOM 0 HA2 GLY A 63 3.567 10.964 -5.499 1.00 0.36 H new ATOM 0 HA3 GLY A 63 3.108 11.856 -4.062 1.00 0.36 H new ATOM 1057 N PHE A 64 5.852 11.179 -4.211 1.00 -0.73 N ATOM 1058 CA PHE A 64 7.212 10.868 -3.801 1.00 0.36 C ATOM 1059 C PHE A 64 7.908 12.207 -3.582 1.00 0.57 C ATOM 1060 O PHE A 64 7.757 13.123 -4.401 1.00 -0.57 O ATOM 1061 CB PHE A 64 7.945 10.012 -4.859 1.00 0.14 C ATOM 1062 CG PHE A 64 7.189 8.798 -5.368 1.00 -0.14 C ATOM 1063 CD1 PHE A 64 6.072 8.977 -6.199 1.00 -0.15 C ATOM 1064 CD2 PHE A 64 7.556 7.498 -4.974 1.00 -0.15 C ATOM 1065 CE1 PHE A 64 5.246 7.897 -6.530 1.00 -0.15 C ATOM 1066 CE2 PHE A 64 6.713 6.416 -5.277 1.00 -0.15 C ATOM 1067 CZ PHE A 64 5.545 6.624 -6.031 1.00 -0.15 C ATOM 0 H PHE A 64 5.797 11.952 -4.874 1.00 -0.73 H new ATOM 0 HA PHE A 64 7.217 10.271 -2.889 1.00 0.36 H new ATOM 0 HB2 PHE A 64 8.186 10.649 -5.710 1.00 0.14 H new ATOM 0 HB3 PHE A 64 8.891 9.675 -4.434 1.00 0.14 H new ATOM 0 HD1 PHE A 64 5.847 9.959 -6.587 1.00 -0.15 H new ATOM 0 HD2 PHE A 64 8.481 7.333 -4.441 1.00 -0.15 H new ATOM 0 HE1 PHE A 64 4.385 8.045 -7.165 1.00 -0.15 H new ATOM 0 HE2 PHE A 64 6.962 5.424 -4.931 1.00 -0.15 H new ATOM 0 HZ PHE A 64 4.876 5.799 -6.226 1.00 -0.15 H new ATOM 1077 N ALA A 65 8.628 12.334 -2.467 1.00 -0.73 N ATOM 1078 CA ALA A 65 9.367 13.536 -2.105 1.00 0.36 C ATOM 1079 C ALA A 65 10.621 13.148 -1.323 1.00 0.57 C ATOM 1080 O ALA A 65 10.857 11.966 -1.099 1.00 -0.57 O ATOM 1081 CB ALA A 65 8.457 14.464 -1.295 1.00 0.00 C ATOM 0 H ALA A 65 8.713 11.586 -1.778 1.00 -0.73 H new ATOM 0 HA ALA A 65 9.684 14.071 -3.000 1.00 0.36 H new ATOM 0 HB1 ALA A 65 9.006 15.365 -1.022 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.589 14.736 -1.895 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.127 13.952 -0.391 1.00 0.00 H new ATOM 1087 N ARG A 66 11.449 14.118 -0.918 1.00 -0.73 N ATOM 1088 CA ARG A 66 12.710 13.858 -0.229 1.00 0.36 C ATOM 1089 C ARG A 66 12.707 14.695 1.042 1.00 0.57 C ATOM 1090 O ARG A 66 13.152 15.841 1.020 1.00 -0.57 O ATOM 1091 CB ARG A 66 13.936 14.157 -1.120 1.00 0.00 C ATOM 1092 CG ARG A 66 13.881 13.508 -2.514 1.00 0.00 C ATOM 1093 CD ARG A 66 13.395 14.501 -3.579 1.00 0.33 C ATOM 1094 NE ARG A 66 14.435 15.507 -3.835 1.00 -0.84 N ATOM 1095 CZ ARG A 66 14.286 16.678 -4.464 1.00 1.20 C ATOM 1096 NH1 ARG A 66 13.082 17.139 -4.820 1.00 -0.97 N ATOM 1097 NH2 ARG A 66 15.381 17.387 -4.745 1.00 -0.97 N ATOM 0 H ARG A 66 11.258 15.110 -1.062 1.00 -0.73 H new ATOM 0 HA ARG A 66 12.793 12.799 0.016 1.00 0.36 H new ATOM 0 HB2 ARG A 66 14.029 15.237 -1.238 1.00 0.00 H new ATOM 0 HB3 ARG A 66 14.835 13.814 -0.608 1.00 0.00 H new ATOM 0 HG2 ARG A 66 14.871 13.139 -2.784 1.00 0.00 H new ATOM 0 HG3 ARG A 66 13.215 12.645 -2.489 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.155 13.971 -4.501 1.00 0.33 H new ATOM 0 HD3 ARG A 66 12.480 14.989 -3.244 1.00 0.33 H new ATOM 0 HE ARG A 66 15.372 15.289 -3.496 1.00 -0.84 H new ATOM 0 HH11 ARG A 66 12.245 16.594 -4.613 1.00 -0.97 H new ATOM 0 HH12 ARG A 66 13.000 18.036 -5.299 1.00 -0.97 H new ATOM 0 HH21 ARG A 66 16.300 17.032 -4.481 1.00 -0.97 H new ATOM 0 HH22 ARG A 66 15.299 18.284 -5.224 1.00 -0.97 H new ATOM 1111 N GLY A 67 12.119 14.166 2.117 1.00 -0.73 N ATOM 1112 CA GLY A 67 12.023 14.906 3.366 1.00 0.36 C ATOM 1113 C GLY A 67 10.754 15.760 3.415 1.00 0.57 C ATOM 1114 O GLY A 67 9.666 15.316 3.031 1.00 -0.57 O ATOM 0 H GLY A 67 11.706 13.234 2.143 1.00 -0.73 H new ATOM 0 HA2 GLY A 67 12.027 14.209 4.204 1.00 0.36 H new ATOM 0 HA3 GLY A 67 12.898 15.546 3.479 1.00 0.36 H new ATOM 1118 N ALA A 68 10.870 16.981 3.942 1.00 -0.73 N ATOM 1119 CA ALA A 68 9.762 17.924 4.056 1.00 0.36 C ATOM 1120 C ALA A 68 9.073 18.147 2.699 1.00 0.57 C ATOM 1121 O ALA A 68 9.709 18.586 1.744 1.00 -0.57 O ATOM 1122 CB ALA A 68 10.277 19.241 4.642 1.00 0.00 C ATOM 0 H ALA A 68 11.751 17.345 4.306 1.00 -0.73 H new ATOM 0 HA ALA A 68 9.010 17.507 4.726 1.00 0.36 H new ATOM 0 HB1 ALA A 68 9.452 19.948 4.729 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.703 19.058 5.628 1.00 0.00 H new ATOM 0 HB3 ALA A 68 11.043 19.656 3.987 1.00 0.00 H new ATOM 1128 N HIS A 69 7.765 17.874 2.633 1.00 -0.73 N ATOM 1129 CA HIS A 69 6.973 17.925 1.400 1.00 0.36 C ATOM 1130 C HIS A 69 5.754 18.837 1.534 1.00 0.57 C ATOM 1131 O HIS A 69 5.445 19.569 0.595 1.00 -0.57 O ATOM 1132 CB HIS A 69 6.553 16.508 0.966 1.00 0.17 C ATOM 1133 CG HIS A 69 6.113 15.549 2.052 1.00 0.18 C ATOM 1134 ND1 HIS A 69 6.916 15.019 3.037 1.00 -0.70 N ATOM 1135 CD2 HIS A 69 4.898 14.924 2.156 1.00 0.20 C ATOM 1136 CE1 HIS A 69 6.187 14.141 3.746 1.00 0.65 C ATOM 1137 NE2 HIS A 69 4.947 14.038 3.236 1.00 -0.70 N ATOM 0 H HIS A 69 7.217 17.606 3.451 1.00 -0.73 H new ATOM 0 HA HIS A 69 7.608 18.354 0.625 1.00 0.36 H new ATOM 0 HB2 HIS A 69 5.737 16.603 0.250 1.00 0.17 H new ATOM 0 HB3 HIS A 69 7.391 16.056 0.436 1.00 0.17 H new ATOM 0 HD1 HIS A 69 7.895 15.253 3.200 1.00 -0.70 H new ATOM 0 HD2 HIS A 69 4.046 15.088 1.512 1.00 0.20 H new ATOM 0 HE1 HIS A 69 6.547 13.594 4.605 1.00 0.65 H new ATOM 1146 N GLY A 70 5.080 18.805 2.689 1.00 -0.73 N ATOM 1147 CA GLY A 70 3.960 19.695 2.984 1.00 0.36 C ATOM 1148 C GLY A 70 2.642 18.936 3.083 1.00 0.57 C ATOM 1149 O GLY A 70 1.643 19.341 2.501 1.00 -0.57 O ATOM 0 H GLY A 70 5.300 18.157 3.446 1.00 -0.73 H new ATOM 0 HA2 GLY A 70 4.149 20.218 3.921 1.00 0.36 H new ATOM 0 HA3 GLY A 70 3.884 20.454 2.205 1.00 0.36 H new ATOM 1153 N ASP A 71 2.671 17.805 3.785 1.00 -0.73 N ATOM 1154 CA ASP A 71 1.511 16.978 4.093 1.00 0.36 C ATOM 1155 C ASP A 71 1.061 17.320 5.516 1.00 0.57 C ATOM 1156 O ASP A 71 0.007 17.932 5.705 1.00 -0.57 O ATOM 1157 CB ASP A 71 1.977 15.524 3.911 1.00 0.06 C ATOM 1158 CG ASP A 71 1.259 14.466 4.742 1.00 0.66 C ATOM 1159 OD1 ASP A 71 0.048 14.542 4.873 1.00 -0.57 O ATOM 1160 OD2 ASP A 71 2.035 13.497 5.220 1.00 -0.65 O ATOM 0 H ASP A 71 3.537 17.427 4.169 1.00 -0.73 H new ATOM 0 HA ASP A 71 0.647 17.144 3.449 1.00 0.36 H new ATOM 0 HB2 ASP A 71 1.869 15.261 2.859 1.00 0.06 H new ATOM 0 HB3 ASP A 71 3.041 15.476 4.144 1.00 0.06 H new ATOM 1166 N SER A 72 1.938 17.034 6.486 1.00 -0.73 N ATOM 1167 CA SER A 72 1.727 17.186 7.926 1.00 0.36 C ATOM 1168 C SER A 72 3.026 16.902 8.692 1.00 0.57 C ATOM 1169 O SER A 72 3.292 17.549 9.704 1.00 -0.57 O ATOM 1170 CB SER A 72 0.679 16.171 8.405 1.00 0.28 C ATOM 1171 OG SER A 72 -0.642 16.663 8.363 1.00 -0.68 O ATOM 0 H SER A 72 2.866 16.670 6.272 1.00 -0.73 H new ATOM 0 HA SER A 72 1.396 18.208 8.112 1.00 0.36 H new ATOM 0 HB2 SER A 72 0.744 15.275 7.788 1.00 0.28 H new ATOM 0 HB3 SER A 72 0.915 15.872 9.426 1.00 0.28 H new ATOM 0 HG SER A 72 -0.779 17.163 7.531 1.00 -0.68 H new ATOM 1177 N TYR A 73 3.854 15.964 8.208 1.00 -0.73 N ATOM 1178 CA TYR A 73 5.072 15.535 8.887 1.00 0.36 C ATOM 1179 C TYR A 73 6.209 15.526 7.866 1.00 0.57 C ATOM 1180 O TYR A 73 6.022 14.989 6.772 1.00 -0.57 O ATOM 1181 CB TYR A 73 4.884 14.136 9.493 1.00 0.14 C ATOM 1182 CG TYR A 73 3.766 14.058 10.514 1.00 -0.14 C ATOM 1183 CD1 TYR A 73 2.452 13.790 10.085 1.00 -0.15 C ATOM 1184 CD2 TYR A 73 4.025 14.290 11.879 1.00 -0.15 C ATOM 1185 CE1 TYR A 73 1.392 13.800 11.008 1.00 -0.15 C ATOM 1186 CE2 TYR A 73 2.974 14.271 12.813 1.00 -0.15 C ATOM 1187 CZ TYR A 73 1.647 14.040 12.376 1.00 0.08 C ATOM 1188 OH TYR A 73 0.599 14.057 13.246 1.00 -0.53 O ATOM 0 H TYR A 73 3.689 15.481 7.325 1.00 -0.73 H new ATOM 0 HA TYR A 73 5.307 16.221 9.701 1.00 0.36 H new ATOM 0 HB2 TYR A 73 4.681 13.427 8.691 1.00 0.14 H new ATOM 0 HB3 TYR A 73 5.817 13.826 9.964 1.00 0.14 H new ATOM 0 HD1 TYR A 73 2.258 13.576 9.044 1.00 -0.15 H new ATOM 0 HD2 TYR A 73 5.035 14.483 12.210 1.00 -0.15 H new ATOM 0 HE1 TYR A 73 0.381 13.624 10.671 1.00 -0.15 H new ATOM 0 HE2 TYR A 73 3.178 14.432 13.861 1.00 -0.15 H new ATOM 0 HH TYR A 73 0.929 14.233 14.152 1.00 -0.53 H new ATOM 1198 N PRO A 74 7.378 16.109 8.186 1.00 -0.66 N ATOM 1199 CA PRO A 74 8.541 15.962 7.338 1.00 0.36 C ATOM 1200 C PRO A 74 9.016 14.507 7.397 1.00 0.57 C ATOM 1201 O PRO A 74 9.121 13.914 8.478 1.00 -0.57 O ATOM 1202 CB PRO A 74 9.569 16.974 7.849 1.00 0.00 C ATOM 1203 CG PRO A 74 9.161 17.279 9.292 1.00 0.00 C ATOM 1204 CD PRO A 74 7.714 16.802 9.423 1.00 0.30 C ATOM 0 HA PRO A 74 8.346 16.167 6.286 1.00 0.36 H new ATOM 0 HB2 PRO A 74 10.578 16.564 7.805 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.565 17.878 7.241 1.00 0.00 H new ATOM 0 HG2 PRO A 74 9.809 16.762 10.000 1.00 0.00 H new ATOM 0 HG3 PRO A 74 9.243 18.345 9.505 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.604 16.137 10.279 1.00 0.30 H new ATOM 0 HD3 PRO A 74 7.044 17.646 9.586 1.00 0.30 H new ATOM 1212 N PHE A 75 9.292 13.951 6.214 1.00 -0.73 N ATOM 1213 CA PHE A 75 10.039 12.712 6.066 1.00 0.36 C ATOM 1214 C PHE A 75 11.480 12.904 6.575 1.00 0.57 C ATOM 1215 O PHE A 75 11.908 13.984 6.978 1.00 -0.57 O ATOM 1216 CB PHE A 75 10.027 12.262 4.588 1.00 0.14 C ATOM 1217 CG PHE A 75 8.896 11.369 4.127 1.00 -0.14 C ATOM 1218 CD1 PHE A 75 8.670 10.126 4.750 1.00 -0.15 C ATOM 1219 CD2 PHE A 75 8.164 11.715 2.973 1.00 -0.15 C ATOM 1220 CE1 PHE A 75 7.690 9.255 4.247 1.00 -0.15 C ATOM 1221 CE2 PHE A 75 7.196 10.840 2.464 1.00 -0.15 C ATOM 1222 CZ PHE A 75 6.958 9.614 3.106 1.00 -0.15 C ATOM 0 H PHE A 75 8.997 14.358 5.326 1.00 -0.73 H new ATOM 0 HA PHE A 75 9.567 11.932 6.663 1.00 0.36 H new ATOM 0 HB2 PHE A 75 10.020 13.157 3.966 1.00 0.14 H new ATOM 0 HB3 PHE A 75 10.965 11.743 4.389 1.00 0.14 H new ATOM 0 HD1 PHE A 75 9.251 9.843 5.615 1.00 -0.15 H new ATOM 0 HD2 PHE A 75 8.350 12.658 2.480 1.00 -0.15 H new ATOM 0 HE1 PHE A 75 7.501 8.312 4.737 1.00 -0.15 H new ATOM 0 HE2 PHE A 75 6.635 11.107 1.581 1.00 -0.15 H new ATOM 0 HZ PHE A 75 6.206 8.943 2.718 1.00 -0.15 H new ATOM 1232 N ASP A 76 12.220 11.809 6.507 1.00 -0.73 N ATOM 1233 CA ASP A 76 13.582 11.539 6.941 1.00 0.36 C ATOM 1234 C ASP A 76 14.552 11.641 5.741 1.00 0.57 C ATOM 1235 O ASP A 76 15.619 12.246 5.874 1.00 -0.57 O ATOM 1236 CB ASP A 76 13.566 10.079 7.483 1.00 0.06 C ATOM 1237 CG ASP A 76 12.856 9.050 6.579 1.00 0.66 C ATOM 1238 OD1 ASP A 76 12.334 9.422 5.541 1.00 -0.57 O ATOM 1239 OD2 ASP A 76 12.761 7.775 6.946 1.00 -0.65 O ATOM 0 H ASP A 76 11.821 10.970 6.086 1.00 -0.73 H new ATOM 0 HA ASP A 76 13.914 12.252 7.696 1.00 0.36 H new ATOM 0 HB2 ASP A 76 14.595 9.754 7.637 1.00 0.06 H new ATOM 0 HB3 ASP A 76 13.081 10.076 8.459 1.00 0.06 H new ATOM 1245 N GLY A 77 14.193 11.087 4.572 1.00 -0.73 N ATOM 1246 CA GLY A 77 15.061 10.980 3.405 1.00 0.36 C ATOM 1247 C GLY A 77 15.694 9.582 3.336 1.00 0.57 C ATOM 1248 O GLY A 77 14.978 8.616 3.582 1.00 -0.57 O ATOM 0 H GLY A 77 13.265 10.693 4.416 1.00 -0.73 H new ATOM 0 HA2 GLY A 77 14.487 11.172 2.498 1.00 0.36 H new ATOM 0 HA3 GLY A 77 15.843 11.738 3.454 1.00 0.36 H new ATOM 1252 N PRO A 78 16.987 9.440 2.981 1.00 -0.66 N ATOM 1253 CA PRO A 78 17.642 8.160 2.728 1.00 0.36 C ATOM 1254 C PRO A 78 17.856 7.356 4.020 1.00 0.57 C ATOM 1255 O PRO A 78 18.842 7.578 4.726 1.00 -0.57 O ATOM 1256 CB PRO A 78 18.958 8.497 2.011 1.00 0.00 C ATOM 1257 CG PRO A 78 19.279 9.923 2.455 1.00 0.00 C ATOM 1258 CD PRO A 78 17.929 10.536 2.826 1.00 0.30 C ATOM 0 HA PRO A 78 17.022 7.511 2.109 1.00 0.36 H new ATOM 0 HB2 PRO A 78 19.752 7.805 2.292 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.848 8.433 0.928 1.00 0.00 H new ATOM 0 HG2 PRO A 78 19.961 9.927 3.305 1.00 0.00 H new ATOM 0 HG3 PRO A 78 19.762 10.486 1.656 1.00 0.00 H new ATOM 0 HD2 PRO A 78 18.008 11.109 3.750 1.00 0.30 H new ATOM 0 HD3 PRO A 78 17.593 11.225 2.051 1.00 0.30 H new ATOM 1266 N GLY A 79 16.949 6.419 4.335 1.00 -0.73 N ATOM 1267 CA GLY A 79 17.037 5.557 5.514 1.00 0.36 C ATOM 1268 C GLY A 79 15.746 5.633 6.324 1.00 0.57 C ATOM 1269 O GLY A 79 14.872 6.420 5.990 1.00 -0.57 O ATOM 0 H GLY A 79 16.122 6.239 3.766 1.00 -0.73 H new ATOM 0 HA2 GLY A 79 17.222 4.528 5.207 1.00 0.36 H new ATOM 0 HA3 GLY A 79 17.881 5.861 6.133 1.00 0.36 H new ATOM 1273 N ASN A 80 15.654 4.861 7.416 1.00 -0.73 N ATOM 1274 CA ASN A 80 14.498 4.822 8.324 1.00 0.36 C ATOM 1275 C ASN A 80 13.193 4.390 7.605 1.00 0.57 C ATOM 1276 O ASN A 80 13.250 3.445 6.816 1.00 -0.57 O ATOM 1277 CB ASN A 80 14.468 6.121 9.157 1.00 0.06 C ATOM 1278 CG ASN A 80 13.660 5.972 10.434 1.00 0.57 C ATOM 1279 OD1 ASN A 80 12.545 6.683 10.551 1.00 -0.57 O flip ATOM 1280 ND2 ASN A 80 14.044 5.207 11.314 1.00 -0.80 N flip ATOM 0 H ASN A 80 16.402 4.229 7.700 1.00 -0.73 H new ATOM 0 HA ASN A 80 14.599 4.022 9.058 1.00 0.36 H new ATOM 0 HB2 ASN A 80 15.488 6.412 9.408 1.00 0.06 H new ATOM 0 HB3 ASN A 80 14.046 6.926 8.555 1.00 0.06 H new ATOM 0 HD21 ASN A 80 14.906 4.677 11.188 1.00 -0.80 H new ATOM 0 HD22 ASN A 80 13.501 5.101 12.171 1.00 -0.80 H new ATOM 1287 N THR A 81 12.022 4.958 7.940 1.00 -0.73 N ATOM 1288 CA THR A 81 10.738 4.803 7.229 1.00 0.36 C ATOM 1289 C THR A 81 10.964 4.952 5.718 1.00 0.57 C ATOM 1290 O THR A 81 11.771 5.764 5.329 1.00 -0.57 O ATOM 1291 CB THR A 81 9.802 5.907 7.779 1.00 0.28 C ATOM 1292 OG1 THR A 81 9.577 5.663 9.155 1.00 -0.68 O ATOM 1293 CG2 THR A 81 8.429 6.077 7.110 1.00 0.00 C ATOM 0 H THR A 81 11.939 5.568 8.753 1.00 -0.73 H new ATOM 0 HA THR A 81 10.295 3.820 7.387 1.00 0.36 H new ATOM 0 HB THR A 81 10.337 6.832 7.562 1.00 0.28 H new ATOM 0 HG1 THR A 81 8.987 6.356 9.518 1.00 -0.68 H new ATOM 0 HG21 THR A 81 7.884 6.885 7.598 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.565 6.317 6.055 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.863 5.150 7.201 1.00 0.00 H new ATOM 1301 N LEU A 82 10.270 4.232 4.836 1.00 -0.73 N ATOM 1302 CA LEU A 82 10.456 4.334 3.387 1.00 0.36 C ATOM 1303 C LEU A 82 9.286 5.048 2.694 1.00 0.57 C ATOM 1304 O LEU A 82 9.448 5.680 1.647 1.00 -0.57 O ATOM 1305 CB LEU A 82 10.668 2.932 2.793 1.00 0.00 C ATOM 1306 CG LEU A 82 11.810 2.101 3.425 1.00 0.00 C ATOM 1307 CD1 LEU A 82 11.899 0.758 2.710 1.00 0.00 C ATOM 1308 CD2 LEU A 82 13.197 2.729 3.305 1.00 0.00 C ATOM 0 H LEU A 82 9.557 3.556 5.109 1.00 -0.73 H new ATOM 0 HA LEU A 82 11.342 4.944 3.208 1.00 0.36 H new ATOM 0 HB2 LEU A 82 9.738 2.372 2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.866 3.036 1.726 1.00 0.00 H new ATOM 0 HG LEU A 82 11.557 2.027 4.483 1.00 0.00 H new ATOM 0 HD11 LEU A 82 12.701 0.165 3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.954 0.225 2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 82 12.105 0.922 1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.933 2.077 3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.448 2.859 2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 82 13.201 3.699 3.802 1.00 0.00 H new ATOM 1320 N ALA A 83 8.086 4.944 3.272 1.00 -0.73 N ATOM 1321 CA ALA A 83 6.876 5.566 2.771 1.00 0.36 C ATOM 1322 C ALA A 83 5.850 5.594 3.897 1.00 0.57 C ATOM 1323 O ALA A 83 6.019 4.914 4.912 1.00 -0.57 O ATOM 1324 CB ALA A 83 6.358 4.769 1.568 1.00 0.00 C ATOM 0 H ALA A 83 7.935 4.407 4.126 1.00 -0.73 H new ATOM 0 HA ALA A 83 7.070 6.587 2.442 1.00 0.36 H new ATOM 0 HB1 ALA A 83 5.448 5.234 1.188 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.115 4.760 0.784 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.142 3.746 1.875 1.00 0.00 H new ATOM 1330 N HIS A 84 4.786 6.373 3.725 1.00 -0.73 N ATOM 1331 CA HIS A 84 3.682 6.409 4.667 1.00 0.36 C ATOM 1332 C HIS A 84 2.372 6.611 3.916 1.00 0.57 C ATOM 1333 O HIS A 84 2.356 7.077 2.771 1.00 -0.57 O ATOM 1334 CB HIS A 84 3.935 7.458 5.770 1.00 0.17 C ATOM 1335 CG HIS A 84 4.072 8.915 5.371 1.00 0.18 C ATOM 1336 ND1 HIS A 84 4.424 9.938 6.227 1.00 -0.70 N ATOM 1337 CD2 HIS A 84 3.885 9.490 4.142 1.00 0.20 C ATOM 1338 CE1 HIS A 84 4.449 11.084 5.528 1.00 0.65 C ATOM 1339 NE2 HIS A 84 4.117 10.862 4.249 1.00 -0.70 N ATOM 0 H HIS A 84 4.669 6.996 2.926 1.00 -0.73 H new ATOM 0 HA HIS A 84 3.604 5.453 5.185 1.00 0.36 H new ATOM 0 HB2 HIS A 84 3.117 7.387 6.487 1.00 0.17 H new ATOM 0 HB3 HIS A 84 4.846 7.172 6.296 1.00 0.17 H new ATOM 0 HD1 HIS A 84 4.630 9.840 7.221 1.00 -0.70 H new ATOM 0 HD2 HIS A 84 3.604 8.968 3.239 1.00 0.20 H new ATOM 0 HE1 HIS A 84 4.702 12.050 5.939 1.00 0.65 H new ATOM 1348 N ALA A 85 1.262 6.296 4.578 1.00 -0.73 N ATOM 1349 CA ALA A 85 -0.070 6.397 4.019 1.00 0.36 C ATOM 1350 C ALA A 85 -1.051 6.669 5.141 1.00 0.57 C ATOM 1351 O ALA A 85 -0.758 6.405 6.310 1.00 -0.57 O ATOM 1352 CB ALA A 85 -0.424 5.088 3.308 1.00 0.00 C ATOM 0 H ALA A 85 1.271 5.956 5.540 1.00 -0.73 H new ATOM 0 HA ALA A 85 -0.115 7.211 3.296 1.00 0.36 H new ATOM 0 HB1 ALA A 85 -1.427 5.162 2.887 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.293 4.903 2.508 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.391 4.265 4.022 1.00 0.00 H new ATOM 1358 N PHE A 86 -2.224 7.174 4.771 1.00 -0.73 N ATOM 1359 CA PHE A 86 -3.258 7.535 5.726 1.00 0.36 C ATOM 1360 C PHE A 86 -4.442 6.585 5.551 1.00 0.57 C ATOM 1361 O PHE A 86 -4.698 6.087 4.453 1.00 -0.57 O ATOM 1362 CB PHE A 86 -3.652 9.007 5.531 1.00 0.14 C ATOM 1363 CG PHE A 86 -2.507 9.930 5.145 1.00 -0.14 C ATOM 1364 CD1 PHE A 86 -1.351 10.051 5.942 1.00 -0.15 C ATOM 1365 CD2 PHE A 86 -2.559 10.588 3.908 1.00 -0.15 C ATOM 1366 CE1 PHE A 86 -0.259 10.809 5.479 1.00 -0.15 C ATOM 1367 CE2 PHE A 86 -1.487 11.361 3.452 1.00 -0.15 C ATOM 1368 CZ PHE A 86 -0.327 11.453 4.233 1.00 -0.15 C ATOM 0 H PHE A 86 -2.481 7.343 3.799 1.00 -0.73 H new ATOM 0 HA PHE A 86 -2.894 7.435 6.749 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -4.421 9.063 4.760 1.00 0.14 H new ATOM 0 HB3 PHE A 86 -4.100 9.374 6.455 1.00 0.14 H new ATOM 0 HD1 PHE A 86 -1.303 9.564 6.905 1.00 -0.15 H new ATOM 0 HD2 PHE A 86 -3.444 10.496 3.296 1.00 -0.15 H new ATOM 0 HE1 PHE A 86 0.632 10.895 6.083 1.00 -0.15 H new ATOM 0 HE2 PHE A 86 -1.552 11.882 2.508 1.00 -0.15 H new ATOM 0 HZ PHE A 86 0.518 12.022 3.875 1.00 -0.15 H new ATOM 1378 N ALA A 87 -5.176 6.356 6.643 1.00 -0.73 N ATOM 1379 CA ALA A 87 -6.376 5.529 6.646 1.00 0.36 C ATOM 1380 C ALA A 87 -7.423 6.073 5.659 1.00 0.57 C ATOM 1381 O ALA A 87 -7.391 7.267 5.368 1.00 -0.57 O ATOM 1382 CB ALA A 87 -6.955 5.529 8.060 1.00 0.00 C ATOM 0 H ALA A 87 -4.948 6.746 7.558 1.00 -0.73 H new ATOM 0 HA ALA A 87 -6.116 4.517 6.336 1.00 0.36 H new ATOM 0 HB1 ALA A 87 -7.855 4.915 8.085 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.220 5.123 8.754 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.204 6.549 8.351 1.00 0.00 H new ATOM 1388 N PRO A 88 -8.358 5.251 5.156 1.00 -0.66 N ATOM 1389 CA PRO A 88 -9.371 5.719 4.224 1.00 0.36 C ATOM 1390 C PRO A 88 -10.366 6.670 4.892 1.00 0.57 C ATOM 1391 O PRO A 88 -10.680 6.541 6.075 1.00 -0.57 O ATOM 1392 CB PRO A 88 -10.050 4.466 3.684 1.00 0.00 C ATOM 1393 CG PRO A 88 -9.697 3.336 4.633 1.00 0.00 C ATOM 1394 CD PRO A 88 -8.554 3.852 5.497 1.00 0.30 C ATOM 0 HA PRO A 88 -8.926 6.302 3.417 1.00 0.36 H new ATOM 0 HB2 PRO A 88 -11.130 4.603 3.631 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.706 4.244 2.674 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.555 3.059 5.246 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.398 2.444 4.083 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.792 3.743 6.555 1.00 0.30 H new ATOM 0 HD3 PRO A 88 -7.644 3.280 5.314 1.00 0.30 H new ATOM 1402 N GLY A 89 -10.879 7.623 4.111 1.00 -0.73 N ATOM 1403 CA GLY A 89 -11.856 8.612 4.546 1.00 0.36 C ATOM 1404 C GLY A 89 -11.465 10.011 4.066 1.00 0.57 C ATOM 1405 O GLY A 89 -10.370 10.193 3.538 1.00 -0.57 O ATOM 0 H GLY A 89 -10.616 7.727 3.131 1.00 -0.73 H new ATOM 0 HA2 GLY A 89 -12.841 8.352 4.158 1.00 0.36 H new ATOM 0 HA3 GLY A 89 -11.929 8.603 5.633 1.00 0.36 H new ATOM 1409 N THR A 90 -12.339 10.997 4.319 1.00 -0.73 N ATOM 1410 CA THR A 90 -12.138 12.419 4.008 1.00 0.36 C ATOM 1411 C THR A 90 -11.529 12.643 2.602 1.00 0.57 C ATOM 1412 O THR A 90 -11.824 11.902 1.661 1.00 -0.57 O ATOM 1413 CB THR A 90 -11.416 13.119 5.196 1.00 0.28 C ATOM 1414 OG1 THR A 90 -11.381 14.524 5.013 1.00 -0.68 O ATOM 1415 CG2 THR A 90 -9.979 12.654 5.471 1.00 0.00 C ATOM 0 H THR A 90 -13.240 10.818 4.763 1.00 -0.73 H new ATOM 0 HA THR A 90 -13.102 12.919 3.918 1.00 0.36 H new ATOM 0 HB THR A 90 -12.017 12.830 6.058 1.00 0.28 H new ATOM 0 HG1 THR A 90 -10.924 14.942 5.773 1.00 -0.68 H new ATOM 0 HG21 THR A 90 -9.573 13.207 6.318 1.00 0.00 H new ATOM 0 HG22 THR A 90 -9.979 11.588 5.700 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.363 12.836 4.590 1.00 0.00 H new ATOM 1423 N GLY A 91 -10.736 13.709 2.452 1.00 -0.73 N ATOM 1424 CA GLY A 91 -9.903 13.966 1.293 1.00 0.36 C ATOM 1425 C GLY A 91 -8.499 13.419 1.514 1.00 0.57 C ATOM 1426 O GLY A 91 -8.091 12.589 0.715 1.00 -0.57 O ATOM 0 H GLY A 91 -10.660 14.436 3.163 1.00 -0.73 H new ATOM 0 HA2 GLY A 91 -10.345 13.504 0.410 1.00 0.36 H new ATOM 0 HA3 GLY A 91 -9.856 15.038 1.102 1.00 0.36 H new ATOM 1430 N LEU A 92 -7.789 13.830 2.582 1.00 -0.73 N ATOM 1431 CA LEU A 92 -6.437 13.345 2.903 1.00 0.36 C ATOM 1432 C LEU A 92 -6.383 11.820 3.007 1.00 0.57 C ATOM 1433 O LEU A 92 -5.443 11.231 2.493 1.00 -0.57 O ATOM 1434 CB LEU A 92 -5.914 14.015 4.200 1.00 0.00 C ATOM 1435 CG LEU A 92 -4.677 13.336 4.861 1.00 0.00 C ATOM 1436 CD1 LEU A 92 -3.446 14.248 4.912 1.00 0.00 C ATOM 1437 CD2 LEU A 92 -5.012 12.833 6.273 1.00 0.00 C ATOM 0 H LEU A 92 -8.143 14.514 3.251 1.00 -0.73 H new ATOM 0 HA LEU A 92 -5.782 13.628 2.079 1.00 0.36 H new ATOM 0 HB2 LEU A 92 -5.659 15.051 3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.725 14.037 4.928 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.425 12.488 4.224 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.619 13.717 5.383 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.163 14.534 3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.679 15.142 5.490 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.131 12.364 6.711 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -5.322 13.673 6.894 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -5.821 12.105 6.217 1.00 0.00 H new ATOM 1449 N GLY A 93 -7.342 11.169 3.672 1.00 -0.73 N ATOM 1450 CA GLY A 93 -7.303 9.727 3.861 1.00 0.36 C ATOM 1451 C GLY A 93 -7.028 8.969 2.560 1.00 0.57 C ATOM 1452 O GLY A 93 -7.325 9.456 1.462 1.00 -0.57 O ATOM 0 H GLY A 93 -8.155 11.625 4.087 1.00 -0.73 H new ATOM 0 HA2 GLY A 93 -6.531 9.481 4.590 1.00 0.36 H new ATOM 0 HA3 GLY A 93 -8.253 9.393 4.277 1.00 0.36 H new ATOM 1456 N GLY A 94 -6.402 7.796 2.686 1.00 -0.73 N ATOM 1457 CA GLY A 94 -6.005 6.942 1.577 1.00 0.36 C ATOM 1458 C GLY A 94 -4.764 7.405 0.834 1.00 0.57 C ATOM 1459 O GLY A 94 -4.094 6.552 0.241 1.00 -0.57 O ATOM 0 H GLY A 94 -6.152 7.407 3.595 1.00 -0.73 H new ATOM 0 HA2 GLY A 94 -5.831 5.935 1.956 1.00 0.36 H new ATOM 0 HA3 GLY A 94 -6.833 6.878 0.871 1.00 0.36 H new ATOM 1463 N ASP A 95 -4.471 8.712 0.853 1.00 -0.73 N ATOM 1464 CA ASP A 95 -3.319 9.273 0.163 1.00 0.36 C ATOM 1465 C ASP A 95 -2.061 8.736 0.835 1.00 0.57 C ATOM 1466 O ASP A 95 -2.052 8.416 2.030 1.00 -0.57 O ATOM 1467 CB ASP A 95 -3.384 10.817 0.163 1.00 0.06 C ATOM 1468 CG ASP A 95 -4.611 11.306 -0.619 1.00 0.66 C ATOM 1469 OD1 ASP A 95 -4.970 10.684 -1.605 1.00 -0.57 O ATOM 1470 OD2 ASP A 95 -5.314 12.348 -0.186 1.00 -0.65 O ATOM 0 H ASP A 95 -5.031 9.405 1.350 1.00 -0.73 H new ATOM 0 HA ASP A 95 -3.310 8.974 -0.885 1.00 0.36 H new ATOM 0 HB2 ASP A 95 -3.429 11.184 1.188 1.00 0.06 H new ATOM 0 HB3 ASP A 95 -2.476 11.225 -0.282 1.00 0.06 H new ATOM 1476 N ALA A 96 -1.000 8.610 0.043 1.00 -0.73 N ATOM 1477 CA ALA A 96 0.246 8.038 0.492 1.00 0.36 C ATOM 1478 C ALA A 96 1.401 8.765 -0.172 1.00 0.57 C ATOM 1479 O ALA A 96 1.297 9.226 -1.313 1.00 -0.57 O ATOM 1480 CB ALA A 96 0.260 6.540 0.166 1.00 0.00 C ATOM 0 H ALA A 96 -0.990 8.907 -0.933 1.00 -0.73 H new ATOM 0 HA ALA A 96 0.351 8.152 1.571 1.00 0.36 H new ATOM 0 HB1 ALA A 96 1.200 6.103 0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.571 6.050 0.673 1.00 0.00 H new ATOM 0 HB3 ALA A 96 0.161 6.401 -0.911 1.00 0.00 H new ATOM 1486 N HIS A 97 2.518 8.845 0.550 1.00 -0.73 N ATOM 1487 CA HIS A 97 3.729 9.488 0.067 1.00 0.36 C ATOM 1488 C HIS A 97 4.912 8.566 0.338 1.00 0.57 C ATOM 1489 O HIS A 97 4.840 7.688 1.198 1.00 -0.57 O ATOM 1490 CB HIS A 97 3.947 10.890 0.667 1.00 0.17 C ATOM 1491 CG HIS A 97 2.737 11.795 0.687 1.00 0.18 C ATOM 1492 ND1 HIS A 97 2.264 12.493 1.790 1.00 -0.70 N ATOM 1493 CD2 HIS A 97 1.882 12.022 -0.358 1.00 0.20 C ATOM 1494 CE1 HIS A 97 1.110 13.081 1.420 1.00 0.65 C ATOM 1495 NE2 HIS A 97 0.864 12.814 0.123 1.00 -0.70 N ATOM 0 H HIS A 97 2.604 8.462 1.491 1.00 -0.73 H new ATOM 0 HA HIS A 97 3.628 9.652 -1.006 1.00 0.36 H new ATOM 0 HB2 HIS A 97 4.307 10.774 1.689 1.00 0.17 H new ATOM 0 HB3 HIS A 97 4.738 11.386 0.104 1.00 0.17 H new ATOM 0 HD1 HIS A 97 2.707 12.550 2.707 1.00 -0.70 H new ATOM 0 HD2 HIS A 97 1.986 11.651 -1.367 1.00 0.20 H new ATOM 0 HE1 HIS A 97 0.479 13.675 2.064 1.00 0.65 H new ATOM 1504 N PHE A 98 6.003 8.787 -0.389 1.00 -0.73 N ATOM 1505 CA PHE A 98 7.171 7.924 -0.440 1.00 0.36 C ATOM 1506 C PHE A 98 8.429 8.793 -0.423 1.00 0.57 C ATOM 1507 O PHE A 98 8.387 9.950 -0.859 1.00 -0.57 O ATOM 1508 CB PHE A 98 7.116 7.122 -1.749 1.00 0.14 C ATOM 1509 CG PHE A 98 6.072 6.018 -1.826 1.00 -0.14 C ATOM 1510 CD1 PHE A 98 4.700 6.314 -1.961 1.00 -0.15 C ATOM 1511 CD2 PHE A 98 6.476 4.671 -1.768 1.00 -0.15 C ATOM 1512 CE1 PHE A 98 3.743 5.284 -1.926 1.00 -0.15 C ATOM 1513 CE2 PHE A 98 5.521 3.642 -1.769 1.00 -0.15 C ATOM 1514 CZ PHE A 98 4.152 3.945 -1.828 1.00 -0.15 C ATOM 0 H PHE A 98 6.098 9.610 -0.984 1.00 -0.73 H new ATOM 0 HA PHE A 98 7.189 7.246 0.413 1.00 0.36 H new ATOM 0 HB2 PHE A 98 6.937 7.818 -2.568 1.00 0.14 H new ATOM 0 HB3 PHE A 98 8.096 6.677 -1.918 1.00 0.14 H new ATOM 0 HD1 PHE A 98 4.382 7.338 -2.092 1.00 -0.15 H new ATOM 0 HD2 PHE A 98 7.527 4.428 -1.722 1.00 -0.15 H new ATOM 0 HE1 PHE A 98 2.691 5.524 -1.975 1.00 -0.15 H new ATOM 0 HE2 PHE A 98 5.842 2.612 -1.724 1.00 -0.15 H new ATOM 0 HZ PHE A 98 3.418 3.153 -1.798 1.00 -0.15 H new ATOM 1524 N ASP A 99 9.551 8.226 0.025 1.00 -0.73 N ATOM 1525 CA ASP A 99 10.851 8.882 -0.042 1.00 0.36 C ATOM 1526 C ASP A 99 11.491 8.636 -1.413 1.00 0.57 C ATOM 1527 O ASP A 99 12.123 7.608 -1.636 1.00 -0.57 O ATOM 1528 CB ASP A 99 11.777 8.372 1.063 1.00 0.06 C ATOM 1529 CG ASP A 99 11.486 9.012 2.407 1.00 0.66 C ATOM 1530 OD1 ASP A 99 11.645 10.219 2.486 1.00 -0.57 O ATOM 1531 OD2 ASP A 99 11.163 8.180 3.393 1.00 -0.65 O ATOM 0 H ASP A 99 9.580 7.297 0.445 1.00 -0.73 H new ATOM 0 HA ASP A 99 10.702 9.952 0.101 1.00 0.36 H new ATOM 0 HB2 ASP A 99 11.673 7.290 1.149 1.00 0.06 H new ATOM 0 HB3 ASP A 99 12.812 8.571 0.786 1.00 0.06 H new ATOM 1537 N GLU A 100 11.370 9.588 -2.340 1.00 -0.73 N ATOM 1538 CA GLU A 100 12.072 9.574 -3.630 1.00 0.36 C ATOM 1539 C GLU A 100 13.596 9.520 -3.446 1.00 0.57 C ATOM 1540 O GLU A 100 14.314 9.061 -4.330 1.00 -0.57 O ATOM 1541 CB GLU A 100 11.682 10.837 -4.422 1.00 0.00 C ATOM 1542 CG GLU A 100 12.416 11.061 -5.753 1.00 0.06 C ATOM 1543 CD GLU A 100 11.936 10.137 -6.868 1.00 0.66 C ATOM 1544 OE1 GLU A 100 11.892 8.935 -6.666 1.00 -0.57 O ATOM 1545 OE2 GLU A 100 11.623 10.722 -8.021 1.00 -0.65 O ATOM 0 H GLU A 100 10.772 10.405 -2.216 1.00 -0.73 H new ATOM 0 HA GLU A 100 11.777 8.678 -4.176 1.00 0.36 H new ATOM 0 HB2 GLU A 100 10.612 10.797 -4.624 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.854 11.706 -3.786 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.281 12.097 -6.065 1.00 0.06 H new ATOM 0 HG3 GLU A 100 13.485 10.911 -5.601 1.00 0.06 H new ATOM 1553 N ASP A 101 14.102 10.008 -2.305 1.00 -0.73 N ATOM 1554 CA ASP A 101 15.536 10.005 -2.019 1.00 0.36 C ATOM 1555 C ASP A 101 16.104 8.584 -2.067 1.00 0.57 C ATOM 1556 O ASP A 101 17.227 8.359 -2.518 1.00 -0.57 O ATOM 1557 CB ASP A 101 15.801 10.627 -0.643 1.00 0.06 C ATOM 1558 CG ASP A 101 17.180 11.291 -0.624 1.00 0.66 C ATOM 1559 OD1 ASP A 101 17.190 12.510 -0.582 1.00 -0.57 O ATOM 1560 OD2 ASP A 101 18.268 10.528 -0.680 1.00 -0.65 O ATOM 0 H ASP A 101 13.531 10.412 -1.562 1.00 -0.73 H new ATOM 0 HA ASP A 101 16.035 10.599 -2.785 1.00 0.36 H new ATOM 0 HB2 ASP A 101 15.031 11.363 -0.413 1.00 0.06 H new ATOM 0 HB3 ASP A 101 15.748 9.859 0.129 1.00 0.06 H new ATOM 1566 N GLU A 102 15.285 7.624 -1.630 1.00 -0.73 N ATOM 1567 CA GLU A 102 15.631 6.221 -1.550 1.00 0.36 C ATOM 1568 C GLU A 102 15.440 5.581 -2.922 1.00 0.57 C ATOM 1569 O GLU A 102 14.592 5.992 -3.711 1.00 -0.57 O ATOM 1570 CB GLU A 102 14.739 5.549 -0.500 1.00 0.00 C ATOM 1571 CG GLU A 102 14.910 6.237 0.866 1.00 0.06 C ATOM 1572 CD GLU A 102 13.976 5.711 1.939 1.00 0.66 C ATOM 1573 OE1 GLU A 102 14.311 5.887 3.099 1.00 -0.57 O ATOM 1574 OE2 GLU A 102 12.845 5.135 1.541 1.00 -0.65 O ATOM 0 H GLU A 102 14.335 7.818 -1.314 1.00 -0.73 H new ATOM 0 HA GLU A 102 16.673 6.098 -1.253 1.00 0.36 H new ATOM 0 HB2 GLU A 102 13.696 5.600 -0.813 1.00 0.00 H new ATOM 0 HB3 GLU A 102 14.995 4.493 -0.417 1.00 0.00 H new ATOM 0 HG2 GLU A 102 15.940 6.110 1.200 1.00 0.06 H new ATOM 0 HG3 GLU A 102 14.744 7.308 0.746 1.00 0.06 H new ATOM 1582 N ARG A 103 16.229 4.548 -3.222 1.00 -0.73 N ATOM 1583 CA ARG A 103 16.098 3.823 -4.481 1.00 0.36 C ATOM 1584 C ARG A 103 14.830 2.978 -4.485 1.00 0.57 C ATOM 1585 O ARG A 103 14.459 2.396 -3.467 1.00 -0.57 O ATOM 1586 CB ARG A 103 17.337 2.950 -4.712 1.00 0.00 C ATOM 1587 CG ARG A 103 18.387 3.784 -5.448 1.00 0.00 C ATOM 1588 CD ARG A 103 19.745 3.088 -5.461 1.00 0.33 C ATOM 1589 NE ARG A 103 20.806 4.069 -5.741 1.00 -0.84 N ATOM 1590 CZ ARG A 103 21.306 4.392 -6.941 1.00 1.20 C ATOM 1591 NH1 ARG A 103 20.866 3.790 -8.052 1.00 -0.97 N ATOM 1592 NH2 ARG A 103 22.248 5.330 -7.012 1.00 -0.97 N ATOM 0 H ARG A 103 16.964 4.197 -2.609 1.00 -0.73 H new ATOM 0 HA ARG A 103 16.022 4.543 -5.296 1.00 0.36 H new ATOM 0 HB2 ARG A 103 17.733 2.595 -3.761 1.00 0.00 H new ATOM 0 HB3 ARG A 103 17.076 2.068 -5.297 1.00 0.00 H new ATOM 0 HG2 ARG A 103 18.059 3.963 -6.472 1.00 0.00 H new ATOM 0 HG3 ARG A 103 18.481 4.758 -4.968 1.00 0.00 H new ATOM 0 HD2 ARG A 103 19.926 2.607 -4.500 1.00 0.33 H new ATOM 0 HD3 ARG A 103 19.754 2.303 -6.217 1.00 0.33 H new ATOM 0 HE ARG A 103 21.202 4.554 -4.936 1.00 -0.84 H new ATOM 0 HH11 ARG A 103 20.141 3.075 -7.992 1.00 -0.97 H new ATOM 0 HH12 ARG A 103 21.256 4.046 -8.959 1.00 -0.97 H new ATOM 0 HH21 ARG A 103 22.576 5.788 -6.162 1.00 -0.97 H new ATOM 0 HH22 ARG A 103 22.641 5.590 -7.916 1.00 -0.97 H new ATOM 1606 N TRP A 104 14.235 2.822 -5.667 1.00 -0.73 N ATOM 1607 CA TRP A 104 13.002 2.078 -5.863 1.00 0.36 C ATOM 1608 C TRP A 104 13.192 1.206 -7.093 1.00 0.57 C ATOM 1609 O TRP A 104 13.678 1.693 -8.110 1.00 -0.57 O ATOM 1610 CB TRP A 104 11.830 3.053 -6.059 1.00 0.18 C ATOM 1611 CG TRP A 104 11.537 3.930 -4.880 1.00 -0.18 C ATOM 1612 CD1 TRP A 104 11.904 5.224 -4.735 1.00 -0.30 C ATOM 1613 CD2 TRP A 104 10.888 3.560 -3.623 1.00 0.00 C ATOM 1614 NE1 TRP A 104 11.566 5.659 -3.471 1.00 0.03 N ATOM 1615 CE2 TRP A 104 10.931 4.683 -2.744 1.00 -0.15 C ATOM 1616 CE3 TRP A 104 10.298 2.380 -3.119 1.00 -0.15 C ATOM 1617 CZ2 TRP A 104 10.434 4.640 -1.435 1.00 -0.15 C ATOM 1618 CZ3 TRP A 104 9.750 2.342 -1.822 1.00 -0.15 C ATOM 1619 CH2 TRP A 104 9.830 3.462 -0.977 1.00 -0.15 C ATOM 0 H TRP A 104 14.608 3.219 -6.529 1.00 -0.73 H new ATOM 0 HA TRP A 104 12.774 1.459 -4.995 1.00 0.36 H new ATOM 0 HB2 TRP A 104 12.043 3.686 -6.921 1.00 0.18 H new ATOM 0 HB3 TRP A 104 10.935 2.479 -6.298 1.00 0.18 H new ATOM 0 HD1 TRP A 104 12.387 5.824 -5.492 1.00 -0.30 H new ATOM 0 HE1 TRP A 104 11.764 6.595 -3.118 1.00 0.03 H new ATOM 0 HE3 TRP A 104 10.267 1.495 -3.737 1.00 -0.15 H new ATOM 0 HZ2 TRP A 104 10.515 5.502 -0.789 1.00 -0.15 H new ATOM 0 HZ3 TRP A 104 9.263 1.443 -1.473 1.00 -0.15 H new ATOM 0 HH2 TRP A 104 9.427 3.415 0.024 1.00 -0.15 H new ATOM 1630 N THR A 105 12.798 -0.065 -7.015 1.00 -0.73 N ATOM 1631 CA THR A 105 12.947 -1.015 -8.113 1.00 0.36 C ATOM 1632 C THR A 105 11.650 -1.805 -8.315 1.00 0.57 C ATOM 1633 O THR A 105 10.884 -2.007 -7.370 1.00 -0.57 O ATOM 1634 CB THR A 105 14.190 -1.892 -7.891 1.00 0.28 C ATOM 1635 OG1 THR A 105 14.385 -2.747 -8.993 1.00 -0.68 O ATOM 1636 CG2 THR A 105 14.123 -2.762 -6.639 1.00 0.00 C ATOM 0 H THR A 105 12.364 -0.465 -6.183 1.00 -0.73 H new ATOM 0 HA THR A 105 13.118 -0.483 -9.049 1.00 0.36 H new ATOM 0 HB THR A 105 15.015 -1.191 -7.768 1.00 0.28 H new ATOM 0 HG1 THR A 105 15.342 -2.803 -9.198 1.00 -0.68 H new ATOM 0 HG21 THR A 105 15.037 -3.350 -6.555 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.018 -2.127 -5.760 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.266 -3.432 -6.707 1.00 0.00 H new ATOM 1644 N ASP A 106 11.389 -2.224 -9.560 1.00 -0.73 N ATOM 1645 CA ASP A 106 10.274 -3.097 -9.915 1.00 0.36 C ATOM 1646 C ASP A 106 10.505 -4.524 -9.421 1.00 0.57 C ATOM 1647 O ASP A 106 9.541 -5.241 -9.145 1.00 -0.57 O ATOM 1648 CB ASP A 106 10.090 -3.136 -11.447 1.00 0.06 C ATOM 1649 CG ASP A 106 11.337 -3.618 -12.214 1.00 0.66 C ATOM 1650 OD1 ASP A 106 11.339 -4.701 -12.775 1.00 -0.57 O ATOM 1651 OD2 ASP A 106 12.367 -2.777 -12.195 1.00 -0.65 O ATOM 0 H ASP A 106 11.961 -1.958 -10.361 1.00 -0.73 H new ATOM 0 HA ASP A 106 9.382 -2.692 -9.437 1.00 0.36 H new ATOM 0 HB2 ASP A 106 9.253 -3.792 -11.686 1.00 0.06 H new ATOM 0 HB3 ASP A 106 9.824 -2.139 -11.797 1.00 0.06 H new ATOM 1657 N GLY A 107 11.774 -4.934 -9.329 1.00 -0.73 N ATOM 1658 CA GLY A 107 12.138 -6.310 -9.054 1.00 0.36 C ATOM 1659 C GLY A 107 13.637 -6.501 -9.205 1.00 0.57 C ATOM 1660 O GLY A 107 14.095 -7.047 -10.207 1.00 -0.57 O ATOM 0 H GLY A 107 12.574 -4.312 -9.445 1.00 -0.73 H new ATOM 0 HA2 GLY A 107 11.831 -6.579 -8.044 1.00 0.36 H new ATOM 0 HA3 GLY A 107 11.610 -6.976 -9.736 1.00 0.36 H new ATOM 1664 N SER A 108 14.405 -6.034 -8.218 1.00 -0.73 N ATOM 1665 CA SER A 108 15.835 -6.266 -8.125 1.00 0.36 C ATOM 1666 C SER A 108 16.210 -6.221 -6.644 1.00 0.57 C ATOM 1667 O SER A 108 15.502 -5.612 -5.844 1.00 -0.57 O ATOM 1668 CB SER A 108 16.579 -5.188 -8.925 1.00 0.28 C ATOM 1669 OG SER A 108 17.787 -5.680 -9.475 1.00 -0.68 O ATOM 0 H SER A 108 14.036 -5.474 -7.450 1.00 -0.73 H new ATOM 0 HA SER A 108 16.112 -7.234 -8.542 1.00 0.36 H new ATOM 0 HB2 SER A 108 15.937 -4.823 -9.727 1.00 0.28 H new ATOM 0 HB3 SER A 108 16.794 -4.338 -8.277 1.00 0.28 H new ATOM 0 HG SER A 108 18.232 -4.966 -9.978 1.00 -0.68 H new ATOM 1675 N SER A 109 17.316 -6.873 -6.283 1.00 -0.73 N ATOM 1676 CA SER A 109 17.920 -6.762 -4.964 1.00 0.36 C ATOM 1677 C SER A 109 18.373 -5.324 -4.701 1.00 0.57 C ATOM 1678 O SER A 109 18.499 -4.520 -5.631 1.00 -0.57 O ATOM 1679 CB SER A 109 19.108 -7.728 -4.872 1.00 0.28 C ATOM 1680 OG SER A 109 18.727 -9.037 -5.255 1.00 -0.68 O ATOM 0 H SER A 109 17.820 -7.500 -6.910 1.00 -0.73 H new ATOM 0 HA SER A 109 17.183 -7.025 -4.205 1.00 0.36 H new ATOM 0 HB2 SER A 109 19.917 -7.378 -5.514 1.00 0.28 H new ATOM 0 HB3 SER A 109 19.493 -7.741 -3.852 1.00 0.28 H new ATOM 0 HG SER A 109 19.501 -9.635 -5.190 1.00 -0.68 H new ATOM 1686 N LEU A 110 18.698 -5.046 -3.427 1.00 -0.73 N ATOM 1687 CA LEU A 110 19.231 -3.781 -2.909 1.00 0.36 C ATOM 1688 C LEU A 110 18.152 -2.700 -2.887 1.00 0.57 C ATOM 1689 O LEU A 110 17.774 -2.248 -1.805 1.00 -0.57 O ATOM 1690 CB LEU A 110 20.488 -3.336 -3.700 1.00 0.00 C ATOM 1691 CG LEU A 110 21.788 -3.327 -2.876 1.00 0.00 C ATOM 1692 CD1 LEU A 110 22.946 -3.794 -3.767 1.00 0.00 C ATOM 1693 CD2 LEU A 110 22.073 -1.919 -2.337 1.00 0.00 C ATOM 0 H LEU A 110 18.588 -5.742 -2.690 1.00 -0.73 H new ATOM 0 HA LEU A 110 19.546 -3.942 -1.878 1.00 0.36 H new ATOM 0 HB2 LEU A 110 20.618 -4.000 -4.554 1.00 0.00 H new ATOM 0 HB3 LEU A 110 20.317 -2.335 -4.097 1.00 0.00 H new ATOM 0 HG LEU A 110 21.681 -4.002 -2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 110 23.872 -3.791 -3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 110 22.745 -4.803 -4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 110 23.045 -3.120 -4.618 1.00 0.00 H new ATOM 0 HD21 LEU A 110 22.996 -1.931 -1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 110 22.178 -1.225 -3.171 1.00 0.00 H new ATOM 0 HD23 LEU A 110 21.248 -1.599 -1.700 1.00 0.00 H new ATOM 1705 N GLY A 111 17.657 -2.319 -4.069 1.00 -0.73 N ATOM 1706 CA GLY A 111 16.585 -1.353 -4.224 1.00 0.36 C ATOM 1707 C GLY A 111 15.313 -1.873 -3.563 1.00 0.57 C ATOM 1708 O GLY A 111 15.055 -3.077 -3.536 1.00 -0.57 O ATOM 0 H GLY A 111 18.002 -2.685 -4.956 1.00 -0.73 H new ATOM 0 HA2 GLY A 111 16.874 -0.402 -3.777 1.00 0.36 H new ATOM 0 HA3 GLY A 111 16.404 -1.165 -5.282 1.00 0.36 H new ATOM 1712 N ILE A 112 14.502 -0.958 -3.033 1.00 -0.73 N ATOM 1713 CA ILE A 112 13.256 -1.319 -2.376 1.00 0.36 C ATOM 1714 C ILE A 112 12.231 -1.659 -3.460 1.00 0.57 C ATOM 1715 O ILE A 112 12.040 -0.880 -4.398 1.00 -0.57 O ATOM 1716 CB ILE A 112 12.831 -0.147 -1.471 1.00 0.00 C ATOM 1717 CG1 ILE A 112 13.873 0.024 -0.331 1.00 0.00 C ATOM 1718 CG2 ILE A 112 11.425 -0.363 -0.890 1.00 0.00 C ATOM 1719 CD1 ILE A 112 14.424 1.449 -0.233 1.00 0.00 C ATOM 0 H ILE A 112 14.692 0.044 -3.049 1.00 -0.73 H new ATOM 0 HA ILE A 112 13.355 -2.197 -1.737 1.00 0.36 H new ATOM 0 HB ILE A 112 12.795 0.761 -2.073 1.00 0.00 H new ATOM 0 HG12 ILE A 112 13.412 -0.248 0.619 1.00 0.00 H new ATOM 0 HG13 ILE A 112 14.699 -0.669 -0.494 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.159 0.483 -0.257 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.704 -0.448 -1.703 1.00 0.00 H new ATOM 0 HG23 ILE A 112 11.413 -1.277 -0.297 1.00 0.00 H new ATOM 0 HD11 ILE A 112 15.146 1.505 0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 112 14.912 1.715 -1.170 1.00 0.00 H new ATOM 0 HD13 ILE A 112 13.606 2.143 -0.040 1.00 0.00 H new ATOM 1731 N ASN A 113 11.566 -2.816 -3.330 1.00 -0.73 N ATOM 1732 CA ASN A 113 10.529 -3.215 -4.274 1.00 0.36 C ATOM 1733 C ASN A 113 9.338 -2.262 -4.153 1.00 0.57 C ATOM 1734 O ASN A 113 8.631 -2.259 -3.141 1.00 -0.57 O ATOM 1735 CB ASN A 113 10.112 -4.684 -4.096 1.00 0.06 C ATOM 1736 CG ASN A 113 9.106 -5.145 -5.153 1.00 0.57 C ATOM 1737 OD1 ASN A 113 8.343 -4.366 -5.697 1.00 -0.57 O ATOM 1738 ND2 ASN A 113 9.051 -6.420 -5.477 1.00 -0.80 N ATOM 0 H ASN A 113 11.732 -3.486 -2.579 1.00 -0.73 H new ATOM 0 HA ASN A 113 10.934 -3.144 -5.283 1.00 0.36 H new ATOM 0 HB2 ASN A 113 10.998 -5.317 -4.143 1.00 0.06 H new ATOM 0 HB3 ASN A 113 9.678 -4.817 -3.105 1.00 0.06 H new ATOM 0 HD21 ASN A 113 8.378 -6.741 -6.173 1.00 -0.80 H new ATOM 0 HD22 ASN A 113 9.682 -7.087 -5.032 1.00 -0.80 H new ATOM 1745 N PHE A 114 9.110 -1.488 -5.215 1.00 -0.73 N ATOM 1746 CA PHE A 114 7.991 -0.571 -5.331 1.00 0.36 C ATOM 1747 C PHE A 114 6.656 -1.302 -5.198 1.00 0.57 C ATOM 1748 O PHE A 114 5.766 -0.818 -4.513 1.00 -0.57 O ATOM 1749 CB PHE A 114 8.073 0.130 -6.696 1.00 0.14 C ATOM 1750 CG PHE A 114 6.980 1.157 -6.907 1.00 -0.14 C ATOM 1751 CD1 PHE A 114 5.640 0.760 -7.095 1.00 -0.15 C ATOM 1752 CD2 PHE A 114 7.299 2.524 -6.876 1.00 -0.15 C ATOM 1753 CE1 PHE A 114 4.614 1.712 -7.098 1.00 -0.15 C ATOM 1754 CE2 PHE A 114 6.275 3.473 -6.961 1.00 -0.15 C ATOM 1755 CZ PHE A 114 4.926 3.070 -6.984 1.00 -0.15 C ATOM 0 H PHE A 114 9.717 -1.486 -6.035 1.00 -0.73 H new ATOM 0 HA PHE A 114 8.046 0.160 -4.525 1.00 0.36 H new ATOM 0 HB2 PHE A 114 9.043 0.618 -6.789 1.00 0.14 H new ATOM 0 HB3 PHE A 114 8.016 -0.619 -7.486 1.00 0.14 H new ATOM 0 HD1 PHE A 114 5.404 -0.284 -7.237 1.00 -0.15 H new ATOM 0 HD2 PHE A 114 8.328 2.840 -6.787 1.00 -0.15 H new ATOM 0 HE1 PHE A 114 3.584 1.398 -7.188 1.00 -0.15 H new ATOM 0 HE2 PHE A 114 6.521 4.523 -7.009 1.00 -0.15 H new ATOM 0 HZ PHE A 114 4.138 3.805 -6.914 1.00 -0.15 H new ATOM 1765 N LEU A 115 6.487 -2.435 -5.884 1.00 -0.73 N ATOM 1766 CA LEU A 115 5.241 -3.191 -5.939 1.00 0.36 C ATOM 1767 C LEU A 115 4.886 -3.704 -4.543 1.00 0.57 C ATOM 1768 O LEU A 115 3.733 -3.599 -4.129 1.00 -0.57 O ATOM 1769 CB LEU A 115 5.415 -4.349 -6.947 1.00 0.00 C ATOM 1770 CG LEU A 115 4.097 -4.978 -7.439 1.00 0.00 C ATOM 1771 CD1 LEU A 115 3.394 -4.034 -8.398 1.00 0.00 C ATOM 1772 CD2 LEU A 115 4.308 -6.274 -8.246 1.00 0.00 C ATOM 0 H LEU A 115 7.236 -2.861 -6.430 1.00 -0.73 H new ATOM 0 HA LEU A 115 4.419 -2.557 -6.273 1.00 0.36 H new ATOM 0 HB2 LEU A 115 5.970 -3.981 -7.810 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.023 -5.127 -6.485 1.00 0.00 H new ATOM 0 HG LEU A 115 3.524 -5.183 -6.534 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.464 -4.488 -8.739 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.174 -3.096 -7.889 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.039 -3.839 -9.255 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.342 -6.667 -8.563 1.00 0.00 H new ATOM 0 HD22 LEU A 115 4.919 -6.061 -9.123 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.813 -7.012 -7.623 1.00 0.00 H new ATOM 1784 N TYR A 116 5.892 -4.190 -3.801 1.00 -0.73 N ATOM 1785 CA TYR A 116 5.741 -4.593 -2.405 1.00 0.36 C ATOM 1786 C TYR A 116 5.314 -3.394 -1.560 1.00 0.57 C ATOM 1787 O TYR A 116 4.390 -3.503 -0.752 1.00 -0.57 O ATOM 1788 CB TYR A 116 7.070 -5.175 -1.892 1.00 0.14 C ATOM 1789 CG TYR A 116 7.057 -5.823 -0.516 1.00 -0.14 C ATOM 1790 CD1 TYR A 116 6.074 -6.771 -0.194 1.00 -0.15 C ATOM 1791 CD2 TYR A 116 8.093 -5.575 0.408 1.00 -0.15 C ATOM 1792 CE1 TYR A 116 6.167 -7.516 0.992 1.00 -0.15 C ATOM 1793 CE2 TYR A 116 8.143 -6.260 1.639 1.00 -0.15 C ATOM 1794 CZ TYR A 116 7.178 -7.247 1.930 1.00 0.08 C ATOM 1795 OH TYR A 116 7.210 -7.959 3.091 1.00 -0.53 O ATOM 0 H TYR A 116 6.839 -4.313 -4.161 1.00 -0.73 H new ATOM 0 HA TYR A 116 4.969 -5.359 -2.327 1.00 0.36 H new ATOM 0 HB2 TYR A 116 7.415 -5.917 -2.612 1.00 0.14 H new ATOM 0 HB3 TYR A 116 7.809 -4.374 -1.882 1.00 0.14 H new ATOM 0 HD1 TYR A 116 5.241 -6.928 -0.863 1.00 -0.15 H new ATOM 0 HD2 TYR A 116 8.858 -4.851 0.169 1.00 -0.15 H new ATOM 0 HE1 TYR A 116 5.454 -8.304 1.186 1.00 -0.15 H new ATOM 0 HE2 TYR A 116 8.917 -6.030 2.356 1.00 -0.15 H new ATOM 0 HH TYR A 116 7.967 -7.660 3.637 1.00 -0.53 H new ATOM 1805 N ALA A 117 5.964 -2.242 -1.773 1.00 -0.73 N ATOM 1806 CA ALA A 117 5.682 -1.025 -1.032 1.00 0.36 C ATOM 1807 C ALA A 117 4.273 -0.538 -1.290 1.00 0.57 C ATOM 1808 O ALA A 117 3.524 -0.305 -0.346 1.00 -0.57 O ATOM 1809 CB ALA A 117 6.720 0.049 -1.388 1.00 0.00 C ATOM 0 H ALA A 117 6.702 -2.137 -2.469 1.00 -0.73 H new ATOM 0 HA ALA A 117 5.753 -1.239 0.034 1.00 0.36 H new ATOM 0 HB1 ALA A 117 6.506 0.961 -0.831 1.00 0.00 H new ATOM 0 HB2 ALA A 117 7.717 -0.309 -1.130 1.00 0.00 H new ATOM 0 HB3 ALA A 117 6.675 0.258 -2.457 1.00 0.00 H new ATOM 1815 N ALA A 118 3.891 -0.445 -2.561 1.00 -0.73 N ATOM 1816 CA ALA A 118 2.552 -0.093 -2.959 1.00 0.36 C ATOM 1817 C ALA A 118 1.568 -1.062 -2.311 1.00 0.57 C ATOM 1818 O ALA A 118 0.728 -0.591 -1.562 1.00 -0.57 O ATOM 1819 CB ALA A 118 2.452 -0.070 -4.485 1.00 0.00 C ATOM 0 H ALA A 118 4.519 -0.616 -3.346 1.00 -0.73 H new ATOM 0 HA ALA A 118 2.298 0.910 -2.615 1.00 0.36 H new ATOM 0 HB1 ALA A 118 1.437 0.197 -4.779 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.151 0.665 -4.884 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.697 -1.056 -4.881 1.00 0.00 H new ATOM 1825 N THR A 119 1.702 -2.383 -2.487 1.00 -0.73 N ATOM 1826 CA THR A 119 0.804 -3.351 -1.850 1.00 0.36 C ATOM 1827 C THR A 119 0.700 -3.128 -0.335 1.00 0.57 C ATOM 1828 O THR A 119 -0.415 -3.192 0.186 1.00 -0.57 O ATOM 1829 CB THR A 119 1.265 -4.779 -2.188 1.00 0.28 C ATOM 1830 OG1 THR A 119 1.081 -4.982 -3.571 1.00 -0.68 O ATOM 1831 CG2 THR A 119 0.492 -5.894 -1.477 1.00 0.00 C ATOM 0 H THR A 119 2.427 -2.805 -3.067 1.00 -0.73 H new ATOM 0 HA THR A 119 -0.201 -3.205 -2.246 1.00 0.36 H new ATOM 0 HB THR A 119 2.302 -4.842 -1.858 1.00 0.28 H new ATOM 0 HG1 THR A 119 1.843 -4.608 -4.061 1.00 -0.68 H new ATOM 0 HG21 THR A 119 0.890 -6.863 -1.780 1.00 0.00 H new ATOM 0 HG22 THR A 119 0.598 -5.779 -0.398 1.00 0.00 H new ATOM 0 HG23 THR A 119 -0.562 -5.835 -1.747 1.00 0.00 H new ATOM 1839 N HIS A 120 1.816 -2.839 0.348 1.00 -0.73 N ATOM 1840 CA HIS A 120 1.819 -2.525 1.772 1.00 0.36 C ATOM 1841 C HIS A 120 0.977 -1.268 2.036 1.00 0.57 C ATOM 1842 O HIS A 120 0.002 -1.335 2.788 1.00 -0.57 O ATOM 1843 CB HIS A 120 3.278 -2.417 2.275 1.00 0.17 C ATOM 1844 CG HIS A 120 3.463 -2.181 3.758 1.00 0.18 C ATOM 1845 ND1 HIS A 120 4.413 -2.774 4.576 1.00 -0.70 N ATOM 1846 CD2 HIS A 120 2.757 -1.313 4.539 1.00 0.20 C ATOM 1847 CE1 HIS A 120 4.247 -2.289 5.825 1.00 0.65 C ATOM 1848 NE2 HIS A 120 3.234 -1.402 5.820 1.00 -0.70 N ATOM 0 H HIS A 120 2.742 -2.818 -0.079 1.00 -0.73 H new ATOM 0 HA HIS A 120 1.351 -3.327 2.343 1.00 0.36 H new ATOM 0 HB2 HIS A 120 3.800 -3.336 2.008 1.00 0.17 H new ATOM 0 HB3 HIS A 120 3.766 -1.605 1.736 1.00 0.17 H new ATOM 0 HD1 HIS A 120 5.113 -3.456 4.285 1.00 -0.70 H new ATOM 0 HD2 HIS A 120 1.959 -0.667 4.205 1.00 0.20 H new ATOM 0 HE1 HIS A 120 4.832 -2.568 6.689 1.00 0.65 H new ATOM 1857 N GLU A 121 1.343 -0.123 1.450 1.00 -0.73 N ATOM 1858 CA GLU A 121 0.696 1.156 1.738 1.00 0.36 C ATOM 1859 C GLU A 121 -0.778 1.130 1.318 1.00 0.57 C ATOM 1860 O GLU A 121 -1.659 1.545 2.073 1.00 -0.57 O ATOM 1861 CB GLU A 121 1.437 2.302 1.021 1.00 0.00 C ATOM 1862 CG GLU A 121 2.912 2.497 1.419 1.00 0.06 C ATOM 1863 CD GLU A 121 3.136 2.486 2.930 1.00 0.66 C ATOM 1864 OE1 GLU A 121 2.878 3.500 3.557 1.00 -0.57 O ATOM 1865 OE2 GLU A 121 3.565 1.356 3.484 1.00 -0.65 O ATOM 0 H GLU A 121 2.095 -0.060 0.764 1.00 -0.73 H new ATOM 0 HA GLU A 121 0.740 1.327 2.814 1.00 0.36 H new ATOM 0 HB2 GLU A 121 1.390 2.124 -0.053 1.00 0.00 H new ATOM 0 HB3 GLU A 121 0.902 3.232 1.213 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.511 1.708 0.964 1.00 0.06 H new ATOM 0 HG3 GLU A 121 3.269 3.443 1.013 1.00 0.06 H new ATOM 1873 N LEU A 122 -1.051 0.579 0.130 1.00 -0.73 N ATOM 1874 CA LEU A 122 -2.388 0.433 -0.428 1.00 0.36 C ATOM 1875 C LEU A 122 -3.254 -0.499 0.414 1.00 0.57 C ATOM 1876 O LEU A 122 -4.472 -0.328 0.434 1.00 -0.57 O ATOM 1877 CB LEU A 122 -2.346 -0.082 -1.881 1.00 0.00 C ATOM 1878 CG LEU A 122 -2.160 0.987 -2.976 1.00 0.00 C ATOM 1879 CD1 LEU A 122 -3.288 2.011 -2.901 1.00 0.00 C ATOM 1880 CD2 LEU A 122 -0.849 1.783 -2.967 1.00 0.00 C ATOM 0 H LEU A 122 -0.322 0.214 -0.483 1.00 -0.73 H new ATOM 0 HA LEU A 122 -2.833 1.428 -0.420 1.00 0.36 H new ATOM 0 HB2 LEU A 122 -1.534 -0.804 -1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.273 -0.620 -2.081 1.00 0.00 H new ATOM 0 HG LEU A 122 -2.154 0.393 -3.890 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -3.149 2.763 -3.678 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -4.245 1.510 -3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -3.277 2.493 -1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -0.852 2.498 -3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.754 2.317 -2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -0.008 1.100 -3.084 1.00 0.00 H new ATOM 1892 N GLY A 123 -2.651 -1.445 1.138 1.00 -0.73 N ATOM 1893 CA GLY A 123 -3.375 -2.227 2.119 1.00 0.36 C ATOM 1894 C GLY A 123 -4.029 -1.329 3.157 1.00 0.57 C ATOM 1895 O GLY A 123 -5.226 -1.455 3.422 1.00 -0.57 O ATOM 0 H GLY A 123 -1.662 -1.681 1.057 1.00 -0.73 H new ATOM 0 HA2 GLY A 123 -4.136 -2.827 1.621 1.00 0.36 H new ATOM 0 HA3 GLY A 123 -2.693 -2.921 2.611 1.00 0.36 H new ATOM 1899 N HIS A 124 -3.281 -0.350 3.672 1.00 -0.73 N ATOM 1900 CA HIS A 124 -3.835 0.600 4.621 1.00 0.36 C ATOM 1901 C HIS A 124 -4.851 1.518 3.964 1.00 0.57 C ATOM 1902 O HIS A 124 -5.893 1.761 4.578 1.00 -0.57 O ATOM 1903 CB HIS A 124 -2.738 1.420 5.286 1.00 0.17 C ATOM 1904 CG HIS A 124 -1.719 0.564 5.977 1.00 0.18 C ATOM 1905 ND1 HIS A 124 -1.964 -0.462 6.860 1.00 -0.70 N ATOM 1906 CD2 HIS A 124 -0.373 0.608 5.772 1.00 0.20 C ATOM 1907 CE1 HIS A 124 -0.784 -1.004 7.192 1.00 0.65 C ATOM 1908 NE2 HIS A 124 0.221 -0.385 6.561 1.00 -0.70 N ATOM 0 H HIS A 124 -2.298 -0.200 3.446 1.00 -0.73 H new ATOM 0 HA HIS A 124 -4.347 0.021 5.389 1.00 0.36 H new ATOM 0 HB2 HIS A 124 -2.242 2.034 4.534 1.00 0.17 H new ATOM 0 HB3 HIS A 124 -3.186 2.101 6.009 1.00 0.17 H new ATOM 0 HD2 HIS A 124 0.146 1.290 5.115 1.00 0.20 H new ATOM 0 HE1 HIS A 124 -0.661 -1.830 7.877 1.00 0.65 H new ATOM 0 HE2 HIS A 124 1.216 -0.594 6.639 1.00 -0.70 H new ATOM 1917 N SER A 125 -4.584 1.964 2.729 1.00 -0.73 N ATOM 1918 CA SER A 125 -5.537 2.717 1.926 1.00 0.36 C ATOM 1919 C SER A 125 -6.862 1.972 1.763 1.00 0.57 C ATOM 1920 O SER A 125 -7.894 2.625 1.621 1.00 -0.57 O ATOM 1921 CB SER A 125 -4.968 2.976 0.530 1.00 0.28 C ATOM 1922 OG SER A 125 -3.804 3.787 0.534 1.00 -0.68 O ATOM 0 H SER A 125 -3.691 1.807 2.262 1.00 -0.73 H new ATOM 0 HA SER A 125 -5.717 3.655 2.451 1.00 0.36 H new ATOM 0 HB2 SER A 125 -4.734 2.021 0.059 1.00 0.28 H new ATOM 0 HB3 SER A 125 -5.732 3.455 -0.082 1.00 0.28 H new ATOM 0 HG SER A 125 -4.059 4.726 0.422 1.00 -0.68 H new ATOM 1928 N LEU A 126 -6.865 0.632 1.754 1.00 -0.73 N ATOM 1929 CA LEU A 126 -8.104 -0.125 1.641 1.00 0.36 C ATOM 1930 C LEU A 126 -8.915 -0.069 2.942 1.00 0.57 C ATOM 1931 O LEU A 126 -10.145 -0.044 2.892 1.00 -0.57 O ATOM 1932 CB LEU A 126 -7.828 -1.589 1.242 1.00 0.00 C ATOM 1933 CG LEU A 126 -8.699 -2.141 0.093 1.00 0.00 C ATOM 1934 CD1 LEU A 126 -10.142 -1.615 0.018 1.00 0.00 C ATOM 1935 CD2 LEU A 126 -8.039 -1.895 -1.263 1.00 0.00 C ATOM 0 H LEU A 126 -6.024 0.059 1.824 1.00 -0.73 H new ATOM 0 HA LEU A 126 -8.696 0.339 0.853 1.00 0.36 H new ATOM 0 HB2 LEU A 126 -6.780 -1.678 0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.973 -2.220 2.119 1.00 0.00 H new ATOM 0 HG LEU A 126 -8.770 -3.203 0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -10.653 -2.074 -0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -10.669 -1.865 0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -10.129 -0.533 -0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -8.674 -2.294 -2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -7.903 -0.824 -1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -7.069 -2.392 -1.291 1.00 0.00 H new ATOM 1947 N GLY A 127 -8.244 -0.033 4.099 1.00 -0.73 N ATOM 1948 CA GLY A 127 -8.904 -0.012 5.401 1.00 0.36 C ATOM 1949 C GLY A 127 -8.032 -0.556 6.520 1.00 0.57 C ATOM 1950 O GLY A 127 -8.489 -1.440 7.240 1.00 -0.57 O ATOM 0 H GLY A 127 -7.226 -0.018 4.154 1.00 -0.73 H new ATOM 0 HA2 GLY A 127 -9.193 1.012 5.639 1.00 0.36 H new ATOM 0 HA3 GLY A 127 -9.822 -0.598 5.346 1.00 0.36 H new ATOM 1954 N MET A 128 -6.806 -0.028 6.667 1.00 -0.73 N ATOM 1955 CA MET A 128 -5.776 -0.557 7.570 1.00 0.36 C ATOM 1956 C MET A 128 -5.374 -2.001 7.209 1.00 0.57 C ATOM 1957 O MET A 128 -5.933 -2.619 6.307 1.00 -0.57 O ATOM 1958 CB MET A 128 -6.192 -0.392 9.051 1.00 0.00 C ATOM 1959 CG MET A 128 -6.039 1.047 9.542 1.00 0.23 C ATOM 1960 SD MET A 128 -4.302 1.550 9.719 1.00 -0.46 S ATOM 1961 CE MET A 128 -4.250 2.883 8.499 1.00 0.23 C ATOM 0 H MET A 128 -6.499 0.796 6.150 1.00 -0.73 H new ATOM 0 HA MET A 128 -4.874 0.040 7.433 1.00 0.36 H new ATOM 0 HB2 MET A 128 -7.229 -0.706 9.171 1.00 0.00 H new ATOM 0 HB3 MET A 128 -5.585 -1.051 9.672 1.00 0.00 H new ATOM 0 HG2 MET A 128 -6.538 1.719 8.844 1.00 0.23 H new ATOM 0 HG3 MET A 128 -6.543 1.154 10.503 1.00 0.23 H new ATOM 0 HE1 MET A 128 -3.242 2.965 8.092 1.00 0.23 H new ATOM 0 HE2 MET A 128 -4.950 2.666 7.693 1.00 0.23 H new ATOM 0 HE3 MET A 128 -4.526 3.824 8.976 1.00 0.23 H new ATOM 1971 N GLY A 129 -4.340 -2.525 7.882 1.00 -0.73 N ATOM 1972 CA GLY A 129 -3.861 -3.885 7.654 1.00 0.36 C ATOM 1973 C GLY A 129 -2.401 -4.029 8.062 1.00 0.57 C ATOM 1974 O GLY A 129 -1.551 -4.099 7.189 1.00 -0.57 O ATOM 0 H GLY A 129 -3.818 -2.016 8.595 1.00 -0.73 H new ATOM 0 HA2 GLY A 129 -4.471 -4.588 8.221 1.00 0.36 H new ATOM 0 HA3 GLY A 129 -3.974 -4.142 6.601 1.00 0.36 H new ATOM 1978 N HIS A 130 -2.090 -3.988 9.361 1.00 -0.73 N ATOM 1979 CA HIS A 130 -0.735 -4.180 9.882 1.00 0.36 C ATOM 1980 C HIS A 130 -0.627 -5.538 10.588 1.00 0.57 C ATOM 1981 O HIS A 130 -1.630 -6.220 10.796 1.00 -0.57 O ATOM 1982 CB HIS A 130 -0.369 -3.027 10.843 1.00 0.17 C ATOM 1983 CG HIS A 130 0.575 -1.983 10.306 1.00 0.18 C ATOM 1984 ND1 HIS A 130 0.672 -0.682 10.751 1.00 -0.70 N ATOM 1985 CD2 HIS A 130 1.573 -2.163 9.385 1.00 0.20 C ATOM 1986 CE1 HIS A 130 1.702 -0.102 10.113 1.00 0.65 C ATOM 1987 NE2 HIS A 130 2.281 -0.973 9.275 1.00 -0.70 N ATOM 0 H HIS A 130 -2.783 -3.818 10.090 1.00 -0.73 H new ATOM 0 HA HIS A 130 -0.029 -4.171 9.052 1.00 0.36 H new ATOM 0 HB2 HIS A 130 -1.290 -2.531 11.148 1.00 0.17 H new ATOM 0 HB3 HIS A 130 0.073 -3.458 11.741 1.00 0.17 H new ATOM 0 HD2 HIS A 130 1.774 -3.073 8.839 1.00 0.20 H new ATOM 0 HE1 HIS A 130 2.019 0.921 10.255 1.00 0.65 H new ATOM 0 HE2 HIS A 130 3.085 -0.796 8.673 1.00 -0.70 H new ATOM 1996 N SER A 131 0.601 -5.902 10.979 1.00 -0.73 N ATOM 1997 CA SER A 131 0.927 -7.144 11.667 1.00 0.36 C ATOM 1998 C SER A 131 2.330 -7.032 12.282 1.00 0.57 C ATOM 1999 O SER A 131 2.994 -6.005 12.133 1.00 -0.57 O ATOM 2000 CB SER A 131 0.850 -8.301 10.658 1.00 0.28 C ATOM 2001 OG SER A 131 -0.233 -9.141 10.993 1.00 -0.68 O ATOM 0 H SER A 131 1.419 -5.315 10.816 1.00 -0.73 H new ATOM 0 HA SER A 131 0.219 -7.335 12.473 1.00 0.36 H new ATOM 0 HB2 SER A 131 0.723 -7.910 9.648 1.00 0.28 H new ATOM 0 HB3 SER A 131 1.781 -8.868 10.666 1.00 0.28 H new ATOM 0 HG SER A 131 -1.051 -8.607 11.064 1.00 -0.68 H new ATOM 2007 N SER A 132 2.781 -8.108 12.937 1.00 -0.73 N ATOM 2008 CA SER A 132 4.088 -8.238 13.580 1.00 0.36 C ATOM 2009 C SER A 132 4.654 -9.640 13.281 1.00 0.57 C ATOM 2010 O SER A 132 4.969 -10.393 14.205 1.00 -0.57 O ATOM 2011 CB SER A 132 3.967 -7.994 15.097 1.00 0.28 C ATOM 2012 OG SER A 132 3.715 -6.648 15.450 1.00 -0.68 O ATOM 0 H SER A 132 2.215 -8.951 13.036 1.00 -0.73 H new ATOM 0 HA SER A 132 4.773 -7.488 13.183 1.00 0.36 H new ATOM 0 HB2 SER A 132 3.164 -8.617 15.491 1.00 0.28 H new ATOM 0 HB3 SER A 132 4.889 -8.318 15.580 1.00 0.28 H new ATOM 0 HG SER A 132 3.650 -6.572 16.425 1.00 -0.68 H new ATOM 2018 N ASP A 133 4.746 -10.008 11.994 1.00 -0.73 N ATOM 2019 CA ASP A 133 5.207 -11.329 11.542 1.00 0.36 C ATOM 2020 C ASP A 133 6.501 -11.163 10.730 1.00 0.57 C ATOM 2021 O ASP A 133 6.643 -10.153 10.037 1.00 -0.57 O ATOM 2022 CB ASP A 133 4.119 -12.014 10.681 1.00 0.06 C ATOM 2023 CG ASP A 133 3.808 -13.476 11.047 1.00 0.66 C ATOM 2024 OD1 ASP A 133 4.050 -13.879 12.173 1.00 -0.57 O ATOM 2025 OD2 ASP A 133 3.231 -14.217 10.106 1.00 -0.65 O ATOM 0 H ASP A 133 4.498 -9.385 11.225 1.00 -0.73 H new ATOM 0 HA ASP A 133 5.402 -11.959 12.410 1.00 0.36 H new ATOM 0 HB2 ASP A 133 3.199 -11.434 10.760 1.00 0.06 H new ATOM 0 HB3 ASP A 133 4.430 -11.977 9.637 1.00 0.06 H new ATOM 2031 N PRO A 134 7.433 -12.139 10.750 1.00 -0.66 N ATOM 2032 CA PRO A 134 8.751 -12.003 10.126 1.00 0.36 C ATOM 2033 C PRO A 134 8.687 -11.956 8.594 1.00 0.57 C ATOM 2034 O PRO A 134 9.623 -11.471 7.958 1.00 -0.57 O ATOM 2035 CB PRO A 134 9.566 -13.205 10.613 1.00 0.00 C ATOM 2036 CG PRO A 134 8.531 -14.253 11.032 1.00 0.00 C ATOM 2037 CD PRO A 134 7.241 -13.476 11.284 1.00 0.30 C ATOM 0 HA PRO A 134 9.209 -11.056 10.411 1.00 0.36 H new ATOM 0 HB2 PRO A 134 10.214 -13.586 9.824 1.00 0.00 H new ATOM 0 HB3 PRO A 134 10.209 -12.931 11.449 1.00 0.00 H new ATOM 0 HG2 PRO A 134 8.392 -15.001 10.252 1.00 0.00 H new ATOM 0 HG3 PRO A 134 8.851 -14.784 11.929 1.00 0.00 H new ATOM 0 HD2 PRO A 134 6.396 -13.966 10.800 1.00 0.30 H new ATOM 0 HD3 PRO A 134 7.018 -13.436 12.350 1.00 0.30 H new ATOM 2045 N ASN A 135 7.577 -12.427 8.014 1.00 -0.73 N ATOM 2046 CA ASN A 135 7.332 -12.509 6.576 1.00 0.36 C ATOM 2047 C ASN A 135 5.954 -11.899 6.278 1.00 0.57 C ATOM 2048 O ASN A 135 5.274 -12.323 5.339 1.00 -0.57 O ATOM 2049 CB ASN A 135 7.429 -13.974 6.091 1.00 0.06 C ATOM 2050 CG ASN A 135 8.834 -14.568 6.177 1.00 0.57 C ATOM 2051 OD1 ASN A 135 9.449 -14.600 7.238 1.00 -0.57 O ATOM 2052 ND2 ASN A 135 9.379 -15.074 5.077 1.00 -0.80 N ATOM 0 H ASN A 135 6.791 -12.776 8.563 1.00 -0.73 H new ATOM 0 HA ASN A 135 8.091 -11.946 6.033 1.00 0.36 H new ATOM 0 HB2 ASN A 135 6.750 -14.587 6.683 1.00 0.06 H new ATOM 0 HB3 ASN A 135 7.087 -14.027 5.058 1.00 0.06 H new ATOM 0 HD21 ASN A 135 10.310 -15.490 5.114 1.00 -0.80 H new ATOM 0 HD22 ASN A 135 8.867 -15.047 4.195 1.00 -0.80 H new ATOM 2059 N ALA A 136 5.510 -10.945 7.113 1.00 -0.73 N ATOM 2060 CA ALA A 136 4.285 -10.210 6.854 1.00 0.36 C ATOM 2061 C ALA A 136 4.531 -9.262 5.682 1.00 0.57 C ATOM 2062 O ALA A 136 5.487 -8.486 5.692 1.00 -0.57 O ATOM 2063 CB ALA A 136 3.812 -9.469 8.114 1.00 0.00 C ATOM 0 H ALA A 136 5.990 -10.673 7.971 1.00 -0.73 H new ATOM 0 HA ALA A 136 3.482 -10.897 6.588 1.00 0.36 H new ATOM 0 HB1 ALA A 136 2.893 -8.926 7.893 1.00 0.00 H new ATOM 0 HB2 ALA A 136 3.626 -10.189 8.911 1.00 0.00 H new ATOM 0 HB3 ALA A 136 4.581 -8.765 8.433 1.00 0.00 H new ATOM 2069 N VAL A 137 3.648 -9.298 4.685 1.00 -0.73 N ATOM 2070 CA VAL A 137 3.695 -8.367 3.553 1.00 0.36 C ATOM 2071 C VAL A 137 3.512 -6.917 4.039 1.00 0.57 C ATOM 2072 O VAL A 137 4.067 -5.986 3.449 1.00 -0.57 O ATOM 2073 CB VAL A 137 2.670 -8.820 2.498 1.00 0.00 C ATOM 2074 CG1 VAL A 137 1.261 -8.713 3.040 1.00 0.00 C ATOM 2075 CG2 VAL A 137 2.675 -8.086 1.145 1.00 0.00 C ATOM 0 H VAL A 137 2.882 -9.970 4.637 1.00 -0.73 H new ATOM 0 HA VAL A 137 4.673 -8.382 3.072 1.00 0.36 H new ATOM 0 HB VAL A 137 2.988 -9.843 2.298 1.00 0.00 H new ATOM 0 HG11 VAL A 137 0.552 -9.038 2.278 1.00 0.00 H new ATOM 0 HG12 VAL A 137 1.161 -9.346 3.922 1.00 0.00 H new ATOM 0 HG13 VAL A 137 1.053 -7.678 3.311 1.00 0.00 H new ATOM 0 HG21 VAL A 137 1.904 -8.507 0.500 1.00 0.00 H new ATOM 0 HG22 VAL A 137 2.476 -7.026 1.305 1.00 0.00 H new ATOM 0 HG23 VAL A 137 3.649 -8.204 0.671 1.00 0.00 H new ATOM 2085 N MET A 138 2.823 -6.734 5.176 1.00 -0.73 N ATOM 2086 CA MET A 138 2.701 -5.462 5.873 1.00 0.36 C ATOM 2087 C MET A 138 3.576 -5.418 7.143 1.00 0.57 C ATOM 2088 O MET A 138 3.251 -4.708 8.091 1.00 -0.57 O ATOM 2089 CB MET A 138 1.217 -5.110 6.100 1.00 0.00 C ATOM 2090 CG MET A 138 0.623 -4.306 4.931 1.00 0.23 C ATOM 2091 SD MET A 138 -0.114 -5.241 3.571 1.00 -0.46 S ATOM 2092 CE MET A 138 -1.495 -6.036 4.434 1.00 0.23 C ATOM 0 H MET A 138 2.325 -7.493 5.642 1.00 -0.73 H new ATOM 0 HA MET A 138 3.101 -4.669 5.241 1.00 0.36 H new ATOM 0 HB2 MET A 138 0.645 -6.028 6.235 1.00 0.00 H new ATOM 0 HB3 MET A 138 1.119 -4.535 7.021 1.00 0.00 H new ATOM 0 HG2 MET A 138 -0.139 -3.639 5.333 1.00 0.23 H new ATOM 0 HG3 MET A 138 1.412 -3.677 4.519 1.00 0.23 H new ATOM 0 HE1 MET A 138 -2.165 -6.492 3.705 1.00 0.23 H new ATOM 0 HE2 MET A 138 -1.111 -6.804 5.105 1.00 0.23 H new ATOM 0 HE3 MET A 138 -2.041 -5.290 5.012 1.00 0.23 H new ATOM 2102 N TYR A 139 4.705 -6.139 7.186 1.00 -0.73 N ATOM 2103 CA TYR A 139 5.663 -6.026 8.288 1.00 0.36 C ATOM 2104 C TYR A 139 6.205 -4.582 8.390 1.00 0.57 C ATOM 2105 O TYR A 139 6.648 -4.039 7.371 1.00 -0.57 O ATOM 2106 CB TYR A 139 6.811 -7.031 8.075 1.00 0.14 C ATOM 2107 CG TYR A 139 7.872 -7.074 9.159 1.00 -0.14 C ATOM 2108 CD1 TYR A 139 7.512 -7.276 10.508 1.00 -0.15 C ATOM 2109 CD2 TYR A 139 9.229 -6.943 8.813 1.00 -0.15 C ATOM 2110 CE1 TYR A 139 8.494 -7.282 11.513 1.00 -0.15 C ATOM 2111 CE2 TYR A 139 10.220 -6.963 9.809 1.00 -0.15 C ATOM 2112 CZ TYR A 139 9.857 -7.109 11.166 1.00 0.08 C ATOM 2113 OH TYR A 139 10.822 -7.094 12.132 1.00 -0.53 O ATOM 0 H TYR A 139 4.975 -6.809 6.466 1.00 -0.73 H new ATOM 0 HA TYR A 139 5.160 -6.259 9.227 1.00 0.36 H new ATOM 0 HB2 TYR A 139 6.380 -8.028 7.977 1.00 0.14 H new ATOM 0 HB3 TYR A 139 7.298 -6.800 7.128 1.00 0.14 H new ATOM 0 HD1 TYR A 139 6.475 -7.427 10.770 1.00 -0.15 H new ATOM 0 HD2 TYR A 139 9.511 -6.826 7.777 1.00 -0.15 H new ATOM 0 HE1 TYR A 139 8.211 -7.418 12.546 1.00 -0.15 H new ATOM 0 HE2 TYR A 139 11.261 -6.867 9.536 1.00 -0.15 H new ATOM 0 HH TYR A 139 11.700 -6.967 11.715 1.00 -0.53 H new ATOM 2123 N PRO A 140 6.173 -3.934 9.576 1.00 -0.66 N ATOM 2124 CA PRO A 140 6.910 -2.699 9.839 1.00 0.36 C ATOM 2125 C PRO A 140 8.412 -2.981 10.032 1.00 0.57 C ATOM 2126 O PRO A 140 8.814 -4.137 10.042 1.00 -0.57 O ATOM 2127 CB PRO A 140 6.270 -2.100 11.096 1.00 0.00 C ATOM 2128 CG PRO A 140 5.673 -3.296 11.838 1.00 0.00 C ATOM 2129 CD PRO A 140 5.464 -4.367 10.770 1.00 0.30 C ATOM 0 HA PRO A 140 6.852 -2.003 9.002 1.00 0.36 H new ATOM 0 HB2 PRO A 140 7.009 -1.583 11.708 1.00 0.00 H new ATOM 0 HB3 PRO A 140 5.502 -1.370 10.840 1.00 0.00 H new ATOM 0 HG2 PRO A 140 6.344 -3.648 12.622 1.00 0.00 H new ATOM 0 HG3 PRO A 140 4.732 -3.031 12.319 1.00 0.00 H new ATOM 0 HD2 PRO A 140 5.842 -5.330 11.113 1.00 0.30 H new ATOM 0 HD3 PRO A 140 4.402 -4.498 10.560 1.00 0.30 H new ATOM 2137 N THR A 141 9.232 -1.937 10.237 1.00 -0.73 N ATOM 2138 CA THR A 141 10.690 -2.025 10.414 1.00 0.36 C ATOM 2139 C THR A 141 11.339 -2.894 9.330 1.00 0.57 C ATOM 2140 O THR A 141 11.679 -4.059 9.542 1.00 -0.57 O ATOM 2141 CB THR A 141 11.042 -2.462 11.848 1.00 0.28 C ATOM 2142 OG1 THR A 141 10.490 -1.531 12.759 1.00 -0.68 O ATOM 2143 CG2 THR A 141 12.553 -2.508 12.125 1.00 0.00 C ATOM 0 H THR A 141 8.887 -0.978 10.286 1.00 -0.73 H new ATOM 0 HA THR A 141 11.117 -1.030 10.283 1.00 0.36 H new ATOM 0 HB THR A 141 10.640 -3.468 11.966 1.00 0.28 H new ATOM 0 HG1 THR A 141 10.707 -1.802 13.675 1.00 -0.68 H new ATOM 0 HG21 THR A 141 12.725 -2.824 13.154 1.00 0.00 H new ATOM 0 HG22 THR A 141 13.026 -3.216 11.444 1.00 0.00 H new ATOM 0 HG23 THR A 141 12.981 -1.517 11.973 1.00 0.00 H new ATOM 2151 N TYR A 142 11.483 -2.299 8.145 1.00 -0.73 N ATOM 2152 CA TYR A 142 11.969 -2.973 6.956 1.00 0.36 C ATOM 2153 C TYR A 142 13.275 -3.732 7.197 1.00 0.57 C ATOM 2154 O TYR A 142 14.270 -3.152 7.652 1.00 -0.57 O ATOM 2155 CB TYR A 142 12.159 -1.950 5.837 1.00 0.14 C ATOM 2156 CG TYR A 142 12.063 -2.538 4.448 1.00 -0.14 C ATOM 2157 CD1 TYR A 142 10.917 -3.261 4.067 1.00 -0.15 C ATOM 2158 CD2 TYR A 142 13.085 -2.292 3.513 1.00 -0.15 C ATOM 2159 CE1 TYR A 142 10.757 -3.667 2.735 1.00 -0.15 C ATOM 2160 CE2 TYR A 142 12.918 -2.674 2.174 1.00 -0.15 C ATOM 2161 CZ TYR A 142 11.739 -3.331 1.776 1.00 0.08 C ATOM 2162 OH TYR A 142 11.539 -3.578 0.459 1.00 -0.53 O ATOM 0 H TYR A 142 11.259 -1.316 7.989 1.00 -0.73 H new ATOM 0 HA TYR A 142 11.222 -3.714 6.672 1.00 0.36 H new ATOM 0 HB2 TYR A 142 11.408 -1.167 5.942 1.00 0.14 H new ATOM 0 HB3 TYR A 142 13.133 -1.475 5.954 1.00 0.14 H new ATOM 0 HD1 TYR A 142 10.162 -3.503 4.800 1.00 -0.15 H new ATOM 0 HD2 TYR A 142 13.999 -1.809 3.827 1.00 -0.15 H new ATOM 0 HE1 TYR A 142 9.886 -4.235 2.443 1.00 -0.15 H new ATOM 0 HE2 TYR A 142 13.692 -2.465 1.450 1.00 -0.15 H new ATOM 0 HH TYR A 142 12.320 -3.280 -0.052 1.00 -0.53 H new ATOM 2172 N GLY A 143 13.245 -5.021 6.855 1.00 -0.73 N ATOM 2173 CA GLY A 143 14.316 -5.980 7.043 1.00 0.36 C ATOM 2174 C GLY A 143 13.707 -7.384 7.094 1.00 0.57 C ATOM 2175 O GLY A 143 12.494 -7.516 7.274 1.00 -0.57 O ATOM 0 H GLY A 143 12.425 -5.439 6.416 1.00 -0.73 H new ATOM 0 HA2 GLY A 143 15.036 -5.909 6.228 1.00 0.36 H new ATOM 0 HA3 GLY A 143 14.857 -5.768 7.965 1.00 0.36 H new ATOM 2179 N ASN A 144 14.551 -8.417 6.948 1.00 -0.73 N ATOM 2180 CA ASN A 144 14.236 -9.857 6.995 1.00 0.36 C ATOM 2181 C ASN A 144 13.363 -10.338 5.831 1.00 0.57 C ATOM 2182 O ASN A 144 13.718 -11.319 5.179 1.00 -0.57 O ATOM 2183 CB ASN A 144 13.563 -10.239 8.332 1.00 0.06 C ATOM 2184 CG ASN A 144 14.133 -11.463 9.046 1.00 0.57 C ATOM 2185 OD1 ASN A 144 14.985 -12.207 8.566 1.00 -0.57 O ATOM 2186 ND2 ASN A 144 13.650 -11.681 10.261 1.00 -0.80 N ATOM 0 H ASN A 144 15.545 -8.258 6.782 1.00 -0.73 H new ATOM 0 HA ASN A 144 15.198 -10.362 6.905 1.00 0.36 H new ATOM 0 HB2 ASN A 144 13.631 -9.386 9.007 1.00 0.06 H new ATOM 0 HB3 ASN A 144 12.503 -10.413 8.145 1.00 0.06 H new ATOM 0 HD21 ASN A 144 13.985 -12.474 10.809 1.00 -0.80 H new ATOM 0 HD22 ASN A 144 12.943 -11.056 10.648 1.00 -0.80 H new ATOM 2193 N GLY A 145 12.236 -9.656 5.588 1.00 -0.73 N ATOM 2194 CA GLY A 145 11.337 -9.910 4.476 1.00 0.36 C ATOM 2195 C GLY A 145 12.083 -9.762 3.154 1.00 0.57 C ATOM 2196 O GLY A 145 12.974 -8.918 3.035 1.00 -0.57 O ATOM 0 H GLY A 145 11.923 -8.890 6.184 1.00 -0.73 H new ATOM 0 HA2 GLY A 145 10.921 -10.914 4.557 1.00 0.36 H new ATOM 0 HA3 GLY A 145 10.499 -9.214 4.509 1.00 0.36 H new ATOM 2200 N ASP A 146 11.708 -10.573 2.163 1.00 -0.73 N ATOM 2201 CA ASP A 146 12.272 -10.533 0.818 1.00 0.36 C ATOM 2202 C ASP A 146 11.328 -9.650 -0.006 1.00 0.57 C ATOM 2203 O ASP A 146 10.155 -10.014 -0.174 1.00 -0.57 O ATOM 2204 CB ASP A 146 12.416 -11.974 0.274 1.00 0.06 C ATOM 2205 CG ASP A 146 12.927 -12.091 -1.174 1.00 0.66 C ATOM 2206 OD1 ASP A 146 12.726 -11.169 -1.947 1.00 -0.57 O ATOM 2207 OD2 ASP A 146 13.533 -13.204 -1.577 1.00 -0.65 O ATOM 0 H ASP A 146 10.990 -11.288 2.278 1.00 -0.73 H new ATOM 0 HA ASP A 146 13.276 -10.110 0.782 1.00 0.36 H new ATOM 0 HB2 ASP A 146 13.096 -12.523 0.926 1.00 0.06 H new ATOM 0 HB3 ASP A 146 11.446 -12.466 0.339 1.00 0.06 H new ATOM 2213 N PRO A 147 11.777 -8.459 -0.453 1.00 -0.66 N ATOM 2214 CA PRO A 147 10.978 -7.619 -1.318 1.00 0.36 C ATOM 2215 C PRO A 147 11.027 -8.062 -2.776 1.00 0.57 C ATOM 2216 O PRO A 147 10.031 -7.868 -3.467 1.00 -0.57 O ATOM 2217 CB PRO A 147 11.544 -6.217 -1.148 1.00 0.00 C ATOM 2218 CG PRO A 147 12.977 -6.379 -0.656 1.00 0.00 C ATOM 2219 CD PRO A 147 13.039 -7.805 -0.114 1.00 0.30 C ATOM 0 HA PRO A 147 9.924 -7.674 -1.046 1.00 0.36 H new ATOM 0 HB2 PRO A 147 11.518 -5.672 -2.092 1.00 0.00 H new ATOM 0 HB3 PRO A 147 10.952 -5.645 -0.434 1.00 0.00 H new ATOM 0 HG2 PRO A 147 13.693 -6.231 -1.464 1.00 0.00 H new ATOM 0 HG3 PRO A 147 13.215 -5.650 0.118 1.00 0.00 H new ATOM 0 HD2 PRO A 147 13.880 -8.345 -0.550 1.00 0.30 H new ATOM 0 HD3 PRO A 147 13.190 -7.799 0.966 1.00 0.30 H new ATOM 2227 N GLN A 148 12.132 -8.642 -3.265 1.00 -0.73 N ATOM 2228 CA GLN A 148 12.232 -9.115 -4.648 1.00 0.36 C ATOM 2229 C GLN A 148 11.090 -10.094 -4.961 1.00 0.57 C ATOM 2230 O GLN A 148 10.452 -9.983 -6.015 1.00 -0.57 O ATOM 2231 CB GLN A 148 13.592 -9.791 -4.914 1.00 0.00 C ATOM 2232 CG GLN A 148 14.798 -8.848 -4.842 1.00 0.06 C ATOM 2233 CD GLN A 148 15.390 -8.784 -3.438 1.00 0.57 C ATOM 2234 OE1 GLN A 148 15.127 -7.851 -2.697 1.00 -0.57 O ATOM 2235 NE2 GLN A 148 16.186 -9.765 -3.032 1.00 -0.80 N ATOM 0 H GLN A 148 12.977 -8.795 -2.714 1.00 -0.73 H new ATOM 0 HA GLN A 148 12.151 -8.247 -5.303 1.00 0.36 H new ATOM 0 HB2 GLN A 148 13.732 -10.594 -4.190 1.00 0.00 H new ATOM 0 HB3 GLN A 148 13.567 -10.253 -5.901 1.00 0.00 H new ATOM 0 HG2 GLN A 148 15.563 -9.183 -5.543 1.00 0.06 H new ATOM 0 HG3 GLN A 148 14.496 -7.848 -5.154 1.00 0.06 H new ATOM 0 HE21 GLN A 148 16.400 -10.541 -3.659 1.00 -0.80 H new ATOM 0 HE22 GLN A 148 16.584 -9.743 -2.093 1.00 -0.80 H new ATOM 2244 N ASN A 149 10.807 -10.986 -4.004 1.00 -0.73 N ATOM 2245 CA ASN A 149 9.860 -12.080 -4.145 1.00 0.36 C ATOM 2246 C ASN A 149 8.822 -11.925 -3.034 1.00 0.57 C ATOM 2247 O ASN A 149 8.989 -12.461 -1.938 1.00 -0.57 O ATOM 2248 CB ASN A 149 10.553 -13.466 -4.107 1.00 0.06 C ATOM 2249 CG ASN A 149 11.870 -13.550 -4.882 1.00 0.57 C ATOM 2250 OD1 ASN A 149 11.955 -14.024 -6.013 1.00 -0.57 O ATOM 2251 ND2 ASN A 149 12.978 -13.154 -4.272 1.00 -0.80 N ATOM 0 H ASN A 149 11.248 -10.959 -3.085 1.00 -0.73 H new ATOM 0 HA ASN A 149 9.378 -12.034 -5.121 1.00 0.36 H new ATOM 0 HB2 ASN A 149 10.743 -13.733 -3.067 1.00 0.06 H new ATOM 0 HB3 ASN A 149 9.865 -14.211 -4.507 1.00 0.06 H new ATOM 0 HD21 ASN A 149 13.879 -13.245 -4.741 1.00 -0.80 H new ATOM 0 HD22 ASN A 149 12.930 -12.758 -3.333 1.00 -0.80 H new ATOM 2258 N PHE A 150 7.743 -11.187 -3.315 1.00 -0.73 N ATOM 2259 CA PHE A 150 6.656 -10.979 -2.368 1.00 0.36 C ATOM 2260 C PHE A 150 5.352 -11.490 -2.971 1.00 0.57 C ATOM 2261 O PHE A 150 5.207 -11.634 -4.189 1.00 -0.57 O ATOM 2262 CB PHE A 150 6.537 -9.504 -1.957 1.00 0.14 C ATOM 2263 CG PHE A 150 5.607 -8.701 -2.844 1.00 -0.14 C ATOM 2264 CD1 PHE A 150 6.102 -8.132 -4.025 1.00 -0.15 C ATOM 2265 CD2 PHE A 150 4.231 -8.591 -2.537 1.00 -0.15 C ATOM 2266 CE1 PHE A 150 5.228 -7.470 -4.894 1.00 -0.15 C ATOM 2267 CE2 PHE A 150 3.358 -7.930 -3.414 1.00 -0.15 C ATOM 2268 CZ PHE A 150 3.857 -7.366 -4.597 1.00 -0.15 C ATOM 0 H PHE A 150 7.604 -10.718 -4.210 1.00 -0.73 H new ATOM 0 HA PHE A 150 6.873 -11.542 -1.460 1.00 0.36 H new ATOM 0 HB2 PHE A 150 6.181 -9.450 -0.928 1.00 0.14 H new ATOM 0 HB3 PHE A 150 7.527 -9.049 -1.976 1.00 0.14 H new ATOM 0 HD1 PHE A 150 7.153 -8.204 -4.263 1.00 -0.15 H new ATOM 0 HD2 PHE A 150 3.850 -9.019 -1.621 1.00 -0.15 H new ATOM 0 HE1 PHE A 150 5.611 -7.033 -5.805 1.00 -0.15 H new ATOM 0 HE2 PHE A 150 2.306 -7.856 -3.179 1.00 -0.15 H new ATOM 0 HZ PHE A 150 3.192 -6.854 -5.277 1.00 -0.15 H new ATOM 2278 N LYS A 151 4.398 -11.746 -2.079 1.00 -0.73 N ATOM 2279 CA LYS A 151 3.031 -12.136 -2.361 1.00 0.36 C ATOM 2280 C LYS A 151 2.272 -11.990 -1.045 1.00 0.57 C ATOM 2281 O LYS A 151 2.895 -12.025 0.023 1.00 -0.57 O ATOM 2282 CB LYS A 151 2.941 -13.567 -2.943 1.00 0.00 C ATOM 2283 CG LYS A 151 3.489 -14.737 -2.095 1.00 0.00 C ATOM 2284 CD LYS A 151 5.028 -14.781 -1.973 1.00 0.00 C ATOM 2285 CE LYS A 151 5.643 -16.119 -2.395 1.00 0.50 C ATOM 2286 NZ LYS A 151 5.774 -17.092 -1.289 1.00 -0.85 N ATOM 0 H LYS A 151 4.577 -11.680 -1.077 1.00 -0.73 H new ATOM 0 HA LYS A 151 2.592 -11.502 -3.132 1.00 0.36 H new ATOM 0 HB2 LYS A 151 1.892 -13.774 -3.157 1.00 0.00 H new ATOM 0 HB3 LYS A 151 3.468 -13.572 -3.897 1.00 0.00 H new ATOM 0 HG2 LYS A 151 3.061 -14.674 -1.095 1.00 0.00 H new ATOM 0 HG3 LYS A 151 3.146 -15.675 -2.531 1.00 0.00 H new ATOM 0 HD2 LYS A 151 5.455 -13.986 -2.585 1.00 0.00 H new ATOM 0 HD3 LYS A 151 5.308 -14.573 -0.940 1.00 0.00 H new ATOM 0 HE2 LYS A 151 5.029 -16.558 -3.182 1.00 0.50 H new ATOM 0 HE3 LYS A 151 6.628 -15.936 -2.824 1.00 0.50 H new ATOM 0 HZ1 LYS A 151 6.197 -17.972 -1.649 1.00 -0.85 H new ATOM 0 HZ2 LYS A 151 6.383 -16.693 -0.546 1.00 -0.85 H new ATOM 0 HZ3 LYS A 151 4.834 -17.296 -0.893 1.00 -0.85 H new ATOM 2300 N LEU A 152 0.955 -11.815 -1.149 1.00 -0.73 N ATOM 2301 CA LEU A 152 0.030 -11.754 -0.033 1.00 0.36 C ATOM 2302 C LEU A 152 0.198 -13.043 0.783 1.00 0.57 C ATOM 2303 O LEU A 152 -0.132 -14.120 0.289 1.00 -0.57 O ATOM 2304 CB LEU A 152 -1.409 -11.576 -0.559 1.00 0.00 C ATOM 2305 CG LEU A 152 -1.657 -10.241 -1.286 1.00 0.00 C ATOM 2306 CD1 LEU A 152 -1.427 -10.329 -2.796 1.00 0.00 C ATOM 2307 CD2 LEU A 152 -3.102 -9.760 -1.101 1.00 0.00 C ATOM 0 H LEU A 152 0.492 -11.708 -2.051 1.00 -0.73 H new ATOM 0 HA LEU A 152 0.237 -10.900 0.612 1.00 0.36 H new ATOM 0 HB2 LEU A 152 -1.638 -12.395 -1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -2.102 -11.654 0.279 1.00 0.00 H new ATOM 0 HG LEU A 152 -0.943 -9.549 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -1.618 -9.357 -3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -0.396 -10.624 -2.990 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -2.103 -11.069 -3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -3.241 -8.816 -1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -3.788 -10.505 -1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -3.305 -9.617 -0.040 1.00 0.00 H new ATOM 2319 N SER A 153 0.795 -12.934 1.976 1.00 -0.73 N ATOM 2320 CA SER A 153 1.167 -14.079 2.802 1.00 0.36 C ATOM 2321 C SER A 153 -0.037 -14.483 3.654 1.00 0.57 C ATOM 2322 O SER A 153 -0.966 -15.121 3.161 1.00 -0.57 O ATOM 2323 CB SER A 153 2.437 -13.727 3.611 1.00 0.28 C ATOM 2324 OG SER A 153 2.744 -14.714 4.575 1.00 -0.68 O ATOM 0 H SER A 153 1.034 -12.036 2.396 1.00 -0.73 H new ATOM 0 HA SER A 153 1.425 -14.951 2.202 1.00 0.36 H new ATOM 0 HB2 SER A 153 3.280 -13.612 2.930 1.00 0.28 H new ATOM 0 HB3 SER A 153 2.295 -12.767 4.108 1.00 0.28 H new ATOM 0 HG SER A 153 3.553 -14.454 5.063 1.00 -0.68 H new ATOM 2330 N GLN A 154 -0.043 -14.099 4.930 1.00 -0.73 N ATOM 2331 CA GLN A 154 -1.063 -14.487 5.878 1.00 0.36 C ATOM 2332 C GLN A 154 -1.617 -13.240 6.505 1.00 0.57 C ATOM 2333 O GLN A 154 -2.817 -13.106 6.459 1.00 -0.57 O ATOM 2334 CB GLN A 154 -0.504 -15.407 6.961 1.00 0.00 C ATOM 2335 CG GLN A 154 -0.039 -16.763 6.415 1.00 0.06 C ATOM 2336 CD GLN A 154 1.054 -17.346 7.302 1.00 0.57 C ATOM 2337 OE1 GLN A 154 2.175 -17.582 6.876 1.00 -0.57 O ATOM 2338 NE2 GLN A 154 0.755 -17.581 8.575 1.00 -0.80 N ATOM 0 H GLN A 154 0.678 -13.499 5.332 1.00 -0.73 H new ATOM 0 HA GLN A 154 -1.844 -15.039 5.355 1.00 0.36 H new ATOM 0 HB2 GLN A 154 0.334 -14.913 7.453 1.00 0.00 H new ATOM 0 HB3 GLN A 154 -1.268 -15.570 7.721 1.00 0.00 H new ATOM 0 HG2 GLN A 154 -0.883 -17.451 6.367 1.00 0.06 H new ATOM 0 HG3 GLN A 154 0.334 -16.644 5.398 1.00 0.06 H new ATOM 0 HE21 GLN A 154 -0.183 -17.382 8.924 1.00 -0.80 H new ATOM 0 HE22 GLN A 154 1.463 -17.961 9.203 1.00 -0.80 H new ATOM 2347 N ASP A 155 -0.806 -12.306 7.006 1.00 -0.73 N ATOM 2348 CA ASP A 155 -1.273 -11.016 7.512 1.00 0.36 C ATOM 2349 C ASP A 155 -2.224 -10.320 6.530 1.00 0.57 C ATOM 2350 O ASP A 155 -3.243 -9.771 6.950 1.00 -0.57 O ATOM 2351 CB ASP A 155 -0.060 -10.125 7.824 1.00 0.06 C ATOM 2352 CG ASP A 155 0.817 -9.806 6.604 1.00 0.66 C ATOM 2353 OD1 ASP A 155 1.126 -8.642 6.409 1.00 -0.57 O ATOM 2354 OD2 ASP A 155 1.237 -10.818 5.850 1.00 -0.65 O ATOM 0 H ASP A 155 0.205 -12.427 7.072 1.00 -0.73 H new ATOM 0 HA ASP A 155 -1.842 -11.192 8.425 1.00 0.36 H new ATOM 0 HB2 ASP A 155 -0.413 -9.190 8.259 1.00 0.06 H new ATOM 0 HB3 ASP A 155 0.553 -10.616 8.580 1.00 0.06 H new ATOM 2360 N ASP A 156 -1.924 -10.422 5.232 1.00 -0.73 N ATOM 2361 CA ASP A 156 -2.744 -9.851 4.174 1.00 0.36 C ATOM 2362 C ASP A 156 -4.093 -10.560 4.065 1.00 0.57 C ATOM 2363 O ASP A 156 -5.149 -9.948 4.252 1.00 -0.57 O ATOM 2364 CB ASP A 156 -2.006 -9.961 2.834 1.00 0.06 C ATOM 2365 CG ASP A 156 -2.185 -8.697 1.996 1.00 0.66 C ATOM 2366 OD1 ASP A 156 -1.270 -8.341 1.272 1.00 -0.57 O ATOM 2367 OD2 ASP A 156 -3.372 -8.102 2.077 1.00 -0.65 O ATOM 0 H ASP A 156 -1.096 -10.909 4.889 1.00 -0.73 H new ATOM 0 HA ASP A 156 -2.926 -8.805 4.420 1.00 0.36 H new ATOM 0 HB2 ASP A 156 -0.945 -10.133 3.014 1.00 0.06 H new ATOM 0 HB3 ASP A 156 -2.379 -10.823 2.281 1.00 0.06 H new ATOM 2373 N ILE A 157 -4.053 -11.882 3.817 1.00 -0.73 N ATOM 2374 CA ILE A 157 -5.256 -12.691 3.671 1.00 0.36 C ATOM 2375 C ILE A 157 -6.044 -12.617 4.970 1.00 0.57 C ATOM 2376 O ILE A 157 -7.250 -12.501 4.895 1.00 -0.57 O ATOM 2377 CB ILE A 157 -4.950 -14.153 3.240 1.00 0.00 C ATOM 2378 CG1 ILE A 157 -4.926 -14.293 1.701 1.00 0.00 C ATOM 2379 CG2 ILE A 157 -5.983 -15.170 3.764 1.00 0.00 C ATOM 2380 CD1 ILE A 157 -3.595 -13.841 1.113 1.00 0.00 C ATOM 0 H ILE A 157 -3.185 -12.408 3.714 1.00 -0.73 H new ATOM 0 HA ILE A 157 -5.861 -12.287 2.859 1.00 0.36 H new ATOM 0 HB ILE A 157 -3.974 -14.371 3.674 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -5.110 -15.332 1.428 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -5.734 -13.702 1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -5.711 -16.171 3.428 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -5.998 -15.145 4.854 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -6.971 -14.915 3.382 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -3.619 -13.955 0.029 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -3.423 -12.794 1.364 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -2.790 -14.450 1.524 1.00 0.00 H new ATOM 2392 N LYS A 158 -5.393 -12.651 6.136 1.00 -0.73 N ATOM 2393 CA LYS A 158 -6.007 -12.577 7.453 1.00 0.36 C ATOM 2394 C LYS A 158 -6.845 -11.317 7.529 1.00 0.57 C ATOM 2395 O LYS A 158 -8.006 -11.416 7.902 1.00 -0.57 O ATOM 2396 CB LYS A 158 -4.949 -12.597 8.568 1.00 0.00 C ATOM 2397 CG LYS A 158 -5.541 -12.987 9.936 1.00 0.00 C ATOM 2398 CD LYS A 158 -5.033 -14.360 10.431 1.00 0.00 C ATOM 2399 CE LYS A 158 -6.196 -15.263 10.854 1.00 0.50 C ATOM 2400 NZ LYS A 158 -5.759 -16.659 11.072 1.00 -0.85 N ATOM 0 H LYS A 158 -4.378 -12.735 6.183 1.00 -0.73 H new ATOM 0 HA LYS A 158 -6.641 -13.451 7.601 1.00 0.36 H new ATOM 0 HB2 LYS A 158 -4.160 -13.301 8.303 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -4.486 -11.613 8.643 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -5.286 -12.223 10.670 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -6.628 -13.010 9.865 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -4.461 -14.846 9.640 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -4.355 -14.218 11.273 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -6.642 -14.875 11.770 1.00 0.50 H new ATOM 0 HE3 LYS A 158 -6.971 -15.241 10.087 1.00 0.50 H new ATOM 0 HZ1 LYS A 158 -6.575 -17.238 11.357 1.00 -0.85 H new ATOM 0 HZ2 LYS A 158 -5.356 -17.038 10.191 1.00 -0.85 H new ATOM 0 HZ3 LYS A 158 -5.038 -16.684 11.821 1.00 -0.85 H new ATOM 2414 N GLY A 159 -6.291 -10.166 7.127 1.00 -0.73 N ATOM 2415 CA GLY A 159 -7.051 -8.934 7.051 1.00 0.36 C ATOM 2416 C GLY A 159 -8.213 -9.090 6.076 1.00 0.57 C ATOM 2417 O GLY A 159 -9.365 -8.935 6.472 1.00 -0.57 O ATOM 0 H GLY A 159 -5.314 -10.073 6.850 1.00 -0.73 H new ATOM 0 HA2 GLY A 159 -7.429 -8.670 8.039 1.00 0.36 H new ATOM 0 HA3 GLY A 159 -6.404 -8.118 6.729 1.00 0.36 H new ATOM 2421 N ILE A 160 -7.943 -9.453 4.819 1.00 -0.73 N ATOM 2422 CA ILE A 160 -8.975 -9.534 3.786 1.00 0.36 C ATOM 2423 C ILE A 160 -10.108 -10.516 4.144 1.00 0.57 C ATOM 2424 O ILE A 160 -11.286 -10.170 4.030 1.00 -0.57 O ATOM 2425 CB ILE A 160 -8.295 -9.862 2.438 1.00 0.00 C ATOM 2426 CG1 ILE A 160 -7.643 -8.611 1.804 1.00 0.00 C ATOM 2427 CG2 ILE A 160 -9.288 -10.515 1.470 1.00 0.00 C ATOM 2428 CD1 ILE A 160 -8.647 -7.509 1.440 1.00 0.00 C ATOM 0 H ILE A 160 -7.008 -9.697 4.492 1.00 -0.73 H new ATOM 0 HA ILE A 160 -9.475 -8.569 3.706 1.00 0.36 H new ATOM 0 HB ILE A 160 -7.496 -10.575 2.641 1.00 0.00 H new ATOM 0 HG12 ILE A 160 -6.907 -8.205 2.498 1.00 0.00 H new ATOM 0 HG13 ILE A 160 -7.103 -8.910 0.905 1.00 0.00 H new ATOM 0 HG21 ILE A 160 -8.786 -10.737 0.528 1.00 0.00 H new ATOM 0 HG22 ILE A 160 -9.666 -11.440 1.906 1.00 0.00 H new ATOM 0 HG23 ILE A 160 -10.119 -9.834 1.287 1.00 0.00 H new ATOM 0 HD11 ILE A 160 -8.117 -6.664 1.001 1.00 0.00 H new ATOM 0 HD12 ILE A 160 -9.369 -7.897 0.722 1.00 0.00 H new ATOM 0 HD13 ILE A 160 -9.170 -7.182 2.339 1.00 0.00 H new ATOM 2440 N GLN A 161 -9.771 -11.735 4.561 1.00 -0.73 N ATOM 2441 CA GLN A 161 -10.721 -12.757 4.967 1.00 0.36 C ATOM 2442 C GLN A 161 -11.476 -12.306 6.222 1.00 0.57 C ATOM 2443 O GLN A 161 -12.613 -12.712 6.420 1.00 -0.57 O ATOM 2444 CB GLN A 161 -10.026 -14.129 5.167 1.00 0.00 C ATOM 2445 CG GLN A 161 -9.342 -14.278 6.541 1.00 0.06 C ATOM 2446 CD GLN A 161 -8.771 -15.659 6.845 1.00 0.57 C ATOM 2447 OE1 GLN A 161 -7.601 -15.945 6.613 1.00 -0.57 O ATOM 2448 NE2 GLN A 161 -9.571 -16.517 7.460 1.00 -0.80 N ATOM 0 H GLN A 161 -8.801 -12.043 4.626 1.00 -0.73 H new ATOM 0 HA GLN A 161 -11.449 -12.892 4.168 1.00 0.36 H new ATOM 0 HB2 GLN A 161 -10.765 -14.922 5.050 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -9.282 -14.268 4.383 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -8.535 -13.548 6.606 1.00 0.06 H new ATOM 0 HG3 GLN A 161 -10.065 -14.024 7.316 1.00 0.06 H new ATOM 0 HE21 GLN A 161 -10.542 -16.266 7.646 1.00 -0.80 H new ATOM 0 HE22 GLN A 161 -9.216 -17.429 7.747 1.00 -0.80 H new ATOM 2457 N LYS A 162 -10.863 -11.492 7.091 1.00 -0.73 N ATOM 2458 CA LYS A 162 -11.537 -10.947 8.264 1.00 0.36 C ATOM 2459 C LYS A 162 -12.459 -9.792 7.855 1.00 0.57 C ATOM 2460 O LYS A 162 -13.488 -9.589 8.495 1.00 -0.57 O ATOM 2461 CB LYS A 162 -10.458 -10.553 9.285 1.00 0.00 C ATOM 2462 CG LYS A 162 -10.934 -9.887 10.583 1.00 0.00 C ATOM 2463 CD LYS A 162 -10.522 -10.644 11.857 1.00 0.00 C ATOM 2464 CE LYS A 162 -11.528 -11.756 12.202 1.00 0.50 C ATOM 2465 NZ LYS A 162 -11.506 -12.094 13.648 1.00 -0.85 N ATOM 0 H LYS A 162 -9.891 -11.197 6.997 1.00 -0.73 H new ATOM 0 HA LYS A 162 -12.189 -11.683 8.735 1.00 0.36 H new ATOM 0 HB2 LYS A 162 -9.900 -11.451 9.550 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -9.759 -9.876 8.794 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -10.534 -8.874 10.628 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -12.020 -9.800 10.559 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -9.532 -11.078 11.720 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -10.451 -9.945 12.690 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -12.531 -11.438 11.919 1.00 0.50 H new ATOM 0 HE3 LYS A 162 -11.299 -12.647 11.617 1.00 0.50 H new ATOM 0 HZ1 LYS A 162 -12.198 -12.847 13.839 1.00 -0.85 H new ATOM 0 HZ2 LYS A 162 -10.555 -12.422 13.914 1.00 -0.85 H new ATOM 0 HZ3 LYS A 162 -11.750 -11.251 14.205 1.00 -0.85 H new ATOM 2479 N LEU A 163 -12.128 -9.067 6.778 1.00 -0.73 N ATOM 2480 CA LEU A 163 -12.961 -8.009 6.228 1.00 0.36 C ATOM 2481 C LEU A 163 -14.179 -8.580 5.474 1.00 0.57 C ATOM 2482 O LEU A 163 -15.287 -8.118 5.730 1.00 -0.57 O ATOM 2483 CB LEU A 163 -12.113 -7.106 5.313 1.00 0.00 C ATOM 2484 CG LEU A 163 -11.270 -6.027 6.029 1.00 0.00 C ATOM 2485 CD1 LEU A 163 -9.914 -5.799 5.339 1.00 0.00 C ATOM 2486 CD2 LEU A 163 -12.017 -4.684 6.007 1.00 0.00 C ATOM 0 H LEU A 163 -11.259 -9.207 6.262 1.00 -0.73 H new ATOM 0 HA LEU A 163 -13.351 -7.411 7.052 1.00 0.36 H new ATOM 0 HB2 LEU A 163 -11.442 -7.738 4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -12.778 -6.611 4.605 1.00 0.00 H new ATOM 0 HG LEU A 163 -11.105 -6.382 7.046 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -9.356 -5.032 5.877 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -9.345 -6.729 5.339 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -10.079 -5.474 4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -11.419 -3.926 6.513 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -12.189 -4.380 4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -12.974 -4.791 6.518 1.00 0.00 H new ATOM 2498 N TYR A 164 -14.008 -9.563 4.567 1.00 -0.73 N ATOM 2499 CA TYR A 164 -15.095 -10.028 3.677 1.00 0.36 C ATOM 2500 C TYR A 164 -15.061 -11.539 3.389 1.00 0.57 C ATOM 2501 O TYR A 164 -15.568 -11.994 2.357 1.00 -0.57 O ATOM 2502 CB TYR A 164 -15.098 -9.262 2.343 1.00 0.14 C ATOM 2503 CG TYR A 164 -14.772 -7.790 2.417 1.00 -0.14 C ATOM 2504 CD1 TYR A 164 -15.773 -6.833 2.641 1.00 -0.15 C ATOM 2505 CD2 TYR A 164 -13.439 -7.389 2.269 1.00 -0.15 C ATOM 2506 CE1 TYR A 164 -15.441 -5.469 2.687 1.00 -0.15 C ATOM 2507 CE2 TYR A 164 -13.100 -6.029 2.239 1.00 -0.15 C ATOM 2508 CZ TYR A 164 -14.100 -5.065 2.470 1.00 0.08 C ATOM 2509 OH TYR A 164 -13.731 -3.761 2.523 1.00 -0.53 O ATOM 0 H TYR A 164 -13.124 -10.053 4.430 1.00 -0.73 H new ATOM 0 HA TYR A 164 -16.013 -9.821 4.228 1.00 0.36 H new ATOM 0 HB2 TYR A 164 -14.382 -9.738 1.673 1.00 0.14 H new ATOM 0 HB3 TYR A 164 -16.082 -9.372 1.887 1.00 0.14 H new ATOM 0 HD1 TYR A 164 -16.798 -7.145 2.778 1.00 -0.15 H new ATOM 0 HD2 TYR A 164 -12.664 -8.135 2.177 1.00 -0.15 H new ATOM 0 HE1 TYR A 164 -16.204 -4.731 2.887 1.00 -0.15 H new ATOM 0 HE2 TYR A 164 -12.083 -5.724 2.041 1.00 -0.15 H new ATOM 0 HH TYR A 164 -12.770 -3.686 2.348 1.00 -0.53 H new