USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 484 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 59 CYS SG : rot -135:sc= 0.253 USER MOD Set 1.2: A 62 CYS SG : rot 180:sc= 0.242 USER MOD Set 2.1: A 7 CYS SG : rot 132:sc= 1.79 USER MOD Set 2.2: A 10 CYS SG : rot 116:sc= -0.195! USER MOD Set 2.3: A 24 CYS SG : rot 132:sc= 2.04 USER MOD Set 2.4: A 27 CYS SG : rot 141:sc= 0.0159 USER MOD Set 2.5: A 54 ASN : amide:sc= 1 K(o=4.6,f=0.14) USER MOD Set 3.1: A 19 TYR OH : rot 30:sc= -2.32! USER MOD Set 3.2: A 28 LYS NZ :NH3+ -127:sc= -1.17 (180deg=-3.81!) USER MOD Set 4.1: A 18 HIS :FLIP no HD1:sc= -2.39 F(o=-4.5!,f=-3) USER MOD Set 4.2: A 23 SER OG : rot -165:sc= -0.657 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -2.08! C(o=-2.1!,f=-1.6!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -5:sc= 0.778 USER MOD Single : A 17 TYR OH : rot -80:sc= 0.869 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 83:sc= 0.76 USER MOD Single : A 36 GLN :FLIP amide:sc= -0.107 F(o=-1.2,f=-0.11) USER MOD Single : A 38 HIS : no HE2:sc= 0.00876 K(o=0.0088,f=-0.64) USER MOD Single : A 39 ASN :FLIP amide:sc= -2.21! C(o=-6.2!,f=-2.2!) USER MOD Single : A 41 TYR OH : rot 101:sc= -0.91! USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 160:sc= -0.193 (180deg=-1.07) USER MOD Single : A 58 SER OG : rot 170:sc= -0.525 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -172:sc= 0.731 (180deg=0.689) USER MOD Single : A 67 CYS SG : rot 120:sc= -2.29 USER MOD Single : A 68 TYR OH : rot 160:sc= -3.01 USER MOD Single : A 72 MET CE :methyl -162:sc= -0.0123 (180deg=-0.764) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N ARG A 5 -7.962 -12.413 -14.073 1.00 0.00 N ATOM 72 CA ARG A 5 -7.423 -11.090 -13.642 1.00 0.00 C ATOM 73 C ARG A 5 -6.797 -11.226 -12.279 1.00 0.00 C ATOM 74 O ARG A 5 -6.912 -12.250 -11.644 1.00 0.00 O ATOM 75 CB ARG A 5 -8.566 -10.057 -13.568 1.00 0.00 C ATOM 76 CG ARG A 5 -9.492 -10.209 -14.801 1.00 0.00 C ATOM 77 CD ARG A 5 -10.398 -11.467 -14.666 1.00 0.00 C ATOM 78 NE ARG A 5 -11.777 -11.106 -15.120 1.00 0.00 N ATOM 79 CZ ARG A 5 -12.575 -12.040 -15.571 1.00 0.00 C ATOM 80 NH1 ARG A 5 -12.609 -13.192 -14.957 1.00 0.00 N ATOM 81 NH2 ARG A 5 -13.310 -11.788 -16.618 1.00 0.00 N ATOM 0 HA ARG A 5 -6.677 -10.756 -14.363 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -9.139 -10.200 -12.652 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -8.155 -9.048 -13.533 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.113 -9.319 -14.906 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -8.889 -10.286 -15.706 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -10.003 -12.285 -15.268 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -10.417 -11.812 -13.632 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.093 -10.137 -15.078 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.020 -13.352 -14.140 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -13.225 -13.932 -15.294 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -13.257 -10.876 -17.071 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -13.938 -12.503 -16.984 1.00 0.00 H new ATOM 95 N TYR A 6 -6.162 -10.190 -11.836 1.00 0.00 N ATOM 96 CA TYR A 6 -5.511 -10.252 -10.497 1.00 0.00 C ATOM 97 C TYR A 6 -5.407 -8.863 -9.873 1.00 0.00 C ATOM 98 O TYR A 6 -5.843 -7.891 -10.458 1.00 0.00 O ATOM 99 CB TYR A 6 -4.091 -10.823 -10.700 1.00 0.00 C ATOM 100 CG TYR A 6 -4.114 -11.905 -11.780 1.00 0.00 C ATOM 101 CD1 TYR A 6 -4.489 -13.192 -11.466 1.00 0.00 C ATOM 102 CD2 TYR A 6 -3.740 -11.615 -13.077 1.00 0.00 C ATOM 103 CE1 TYR A 6 -4.484 -14.175 -12.424 1.00 0.00 C ATOM 104 CE2 TYR A 6 -3.731 -12.602 -14.038 1.00 0.00 C ATOM 105 CZ TYR A 6 -4.103 -13.891 -13.719 1.00 0.00 C ATOM 106 OH TYR A 6 -4.083 -14.882 -14.679 1.00 0.00 O ATOM 0 H TYR A 6 -6.062 -9.305 -12.333 1.00 0.00 H new ATOM 0 HA TYR A 6 -6.103 -10.877 -9.829 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -3.406 -10.025 -10.987 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -3.720 -11.240 -9.764 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.790 -13.430 -10.457 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -3.453 -10.608 -13.340 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -4.781 -15.180 -12.162 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.431 -12.365 -15.048 1.00 0.00 H new ATOM 0 HH TYR A 6 -3.791 -14.503 -15.534 1.00 0.00 H new ATOM 116 N CYS A 7 -4.831 -8.783 -8.687 1.00 0.00 N ATOM 117 CA CYS A 7 -4.716 -7.462 -8.055 1.00 0.00 C ATOM 118 C CYS A 7 -4.091 -6.473 -9.005 1.00 0.00 C ATOM 119 O CYS A 7 -2.907 -6.513 -9.272 1.00 0.00 O ATOM 120 CB CYS A 7 -3.863 -7.531 -6.763 1.00 0.00 C ATOM 121 SG CYS A 7 -3.733 -5.975 -5.815 1.00 0.00 S ATOM 0 H CYS A 7 -4.450 -9.567 -8.157 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.723 -7.135 -7.797 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.284 -8.297 -6.112 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.858 -7.857 -7.030 1.00 0.00 H new ATOM 0 HG CYS A 7 -3.971 -6.211 -4.559 1.00 0.00 H new ATOM 126 N ALA A 8 -4.906 -5.596 -9.498 1.00 0.00 N ATOM 127 CA ALA A 8 -4.406 -4.579 -10.438 1.00 0.00 C ATOM 128 C ALA A 8 -3.331 -3.740 -9.778 1.00 0.00 C ATOM 129 O ALA A 8 -2.787 -2.840 -10.388 1.00 0.00 O ATOM 130 CB ALA A 8 -5.581 -3.648 -10.776 1.00 0.00 C ATOM 0 H ALA A 8 -5.903 -5.542 -9.287 1.00 0.00 H new ATOM 0 HA ALA A 8 -3.997 -5.065 -11.324 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.247 -2.879 -11.473 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.384 -4.227 -11.232 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.946 -3.177 -9.863 1.00 0.00 H new ATOM 136 N VAL A 9 -3.040 -4.051 -8.525 1.00 0.00 N ATOM 137 CA VAL A 9 -1.986 -3.260 -7.787 1.00 0.00 C ATOM 138 C VAL A 9 -0.782 -4.032 -7.211 1.00 0.00 C ATOM 139 O VAL A 9 0.331 -3.626 -7.446 1.00 0.00 O ATOM 140 CB VAL A 9 -2.685 -2.612 -6.595 1.00 0.00 C ATOM 141 CG1 VAL A 9 -1.689 -1.715 -5.841 1.00 0.00 C ATOM 142 CG2 VAL A 9 -3.837 -1.773 -7.093 1.00 0.00 C ATOM 0 H VAL A 9 -3.477 -4.803 -7.991 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.565 -2.587 -8.534 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.056 -3.386 -5.923 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.188 -1.252 -4.990 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.852 -2.317 -5.487 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.319 -0.939 -6.511 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.341 -1.307 -6.246 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.461 -0.999 -7.762 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.542 -2.406 -7.631 1.00 0.00 H new ATOM 152 N CYS A 10 -0.991 -5.121 -6.483 1.00 0.00 N ATOM 153 CA CYS A 10 0.238 -5.831 -5.920 1.00 0.00 C ATOM 154 C CYS A 10 0.182 -7.363 -5.643 1.00 0.00 C ATOM 155 O CYS A 10 1.092 -8.073 -6.023 1.00 0.00 O ATOM 156 CB CYS A 10 0.425 -5.200 -4.539 1.00 0.00 C ATOM 157 SG CYS A 10 -0.680 -5.815 -3.224 1.00 0.00 S ATOM 0 H CYS A 10 -1.897 -5.533 -6.261 1.00 0.00 H new ATOM 0 HA CYS A 10 1.008 -5.717 -6.683 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.456 -5.360 -4.224 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.284 -4.123 -4.631 1.00 0.00 H new ATOM 0 HG CYS A 10 0.026 -6.399 -2.302 1.00 0.00 H new ATOM 162 N ASN A 11 -0.852 -7.854 -5.001 1.00 0.00 N ATOM 163 CA ASN A 11 -0.890 -9.300 -4.721 1.00 0.00 C ATOM 164 C ASN A 11 -1.106 -10.150 -5.942 1.00 0.00 C ATOM 165 O ASN A 11 -0.205 -10.373 -6.725 1.00 0.00 O ATOM 166 CB ASN A 11 -2.025 -9.549 -3.700 1.00 0.00 C ATOM 167 CG ASN A 11 -2.171 -11.055 -3.446 1.00 0.00 C ATOM 168 OD1 ASN A 11 -3.262 -11.575 -3.334 1.00 0.00 O ATOM 169 ND2 ASN A 11 -1.095 -11.787 -3.349 1.00 0.00 N ATOM 0 H ASN A 11 -1.652 -7.316 -4.669 1.00 0.00 H new ATOM 0 HA ASN A 11 0.084 -9.592 -4.329 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.806 -9.032 -2.765 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.963 -9.142 -4.078 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -1.174 -12.790 -3.180 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.175 -11.356 -3.442 1.00 0.00 H new ATOM 176 N ASP A 12 -2.288 -10.594 -6.080 1.00 0.00 N ATOM 177 CA ASP A 12 -2.613 -11.442 -7.229 1.00 0.00 C ATOM 178 C ASP A 12 -4.112 -11.694 -7.277 1.00 0.00 C ATOM 179 O ASP A 12 -4.888 -10.774 -7.139 1.00 0.00 O ATOM 180 CB ASP A 12 -1.884 -12.790 -7.063 1.00 0.00 C ATOM 181 CG ASP A 12 -1.912 -13.552 -8.390 1.00 0.00 C ATOM 182 OD1 ASP A 12 -1.892 -12.875 -9.405 1.00 0.00 O ATOM 183 OD2 ASP A 12 -1.952 -14.768 -8.313 1.00 0.00 O ATOM 0 H ASP A 12 -3.061 -10.408 -5.441 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.302 -10.949 -8.150 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.854 -12.622 -6.749 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.363 -13.381 -6.282 1.00 0.00 H new ATOM 188 N TYR A 13 -4.511 -12.944 -7.450 1.00 0.00 N ATOM 189 CA TYR A 13 -5.973 -13.224 -7.502 1.00 0.00 C ATOM 190 C TYR A 13 -6.703 -12.439 -6.418 1.00 0.00 C ATOM 191 O TYR A 13 -6.663 -12.776 -5.252 1.00 0.00 O ATOM 192 CB TYR A 13 -6.240 -14.708 -7.270 1.00 0.00 C ATOM 193 CG TYR A 13 -5.324 -15.585 -8.148 1.00 0.00 C ATOM 194 CD1 TYR A 13 -5.703 -15.955 -9.437 1.00 0.00 C ATOM 195 CD2 TYR A 13 -4.152 -16.097 -7.630 1.00 0.00 C ATOM 196 CE1 TYR A 13 -4.927 -16.828 -10.170 1.00 0.00 C ATOM 197 CE2 TYR A 13 -3.376 -16.966 -8.371 1.00 0.00 C ATOM 198 CZ TYR A 13 -3.757 -17.338 -9.645 1.00 0.00 C ATOM 199 OH TYR A 13 -2.980 -18.206 -10.383 1.00 0.00 O ATOM 0 H TYR A 13 -3.899 -13.753 -7.554 1.00 0.00 H new ATOM 0 HA TYR A 13 -6.333 -12.928 -8.487 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.080 -14.949 -6.219 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.283 -14.931 -7.493 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.611 -15.555 -9.865 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.839 -15.815 -6.636 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.238 -17.115 -11.164 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.462 -17.359 -7.950 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.193 -18.465 -9.860 1.00 0.00 H new ATOM 209 N ALA A 14 -7.347 -11.417 -6.842 1.00 0.00 N ATOM 210 CA ALA A 14 -8.100 -10.559 -5.899 1.00 0.00 C ATOM 211 C ALA A 14 -9.229 -11.331 -5.229 1.00 0.00 C ATOM 212 O ALA A 14 -9.841 -12.193 -5.830 1.00 0.00 O ATOM 213 CB ALA A 14 -8.678 -9.406 -6.713 1.00 0.00 C ATOM 0 H ALA A 14 -7.391 -11.125 -7.818 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.439 -10.202 -5.109 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.244 -8.745 -6.057 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.867 -8.847 -7.179 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.337 -9.801 -7.486 1.00 0.00 H new ATOM 219 N SER A 15 -9.483 -11.004 -3.992 1.00 0.00 N ATOM 220 CA SER A 15 -10.564 -11.702 -3.255 1.00 0.00 C ATOM 221 C SER A 15 -11.939 -11.352 -3.814 1.00 0.00 C ATOM 222 O SER A 15 -12.916 -12.004 -3.504 1.00 0.00 O ATOM 223 CB SER A 15 -10.506 -11.263 -1.784 1.00 0.00 C ATOM 224 OG SER A 15 -11.637 -11.883 -1.190 1.00 0.00 O ATOM 0 H SER A 15 -8.988 -10.285 -3.464 1.00 0.00 H new ATOM 0 HA SER A 15 -10.417 -12.777 -3.357 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.580 -11.585 -1.309 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.552 -10.178 -1.690 1.00 0.00 H new ATOM 0 HG SER A 15 -12.164 -12.334 -1.882 1.00 0.00 H new ATOM 230 N GLY A 16 -11.999 -10.330 -4.629 1.00 0.00 N ATOM 231 CA GLY A 16 -13.322 -9.943 -5.206 1.00 0.00 C ATOM 232 C GLY A 16 -13.292 -8.517 -5.753 1.00 0.00 C ATOM 233 O GLY A 16 -12.373 -7.765 -5.495 1.00 0.00 O ATOM 0 H GLY A 16 -11.206 -9.756 -4.916 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.590 -10.636 -6.004 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -14.093 -10.025 -4.440 1.00 0.00 H new ATOM 237 N TYR A 17 -14.308 -8.178 -6.501 1.00 0.00 N ATOM 238 CA TYR A 17 -14.373 -6.814 -7.079 1.00 0.00 C ATOM 239 C TYR A 17 -14.584 -5.774 -5.974 1.00 0.00 C ATOM 240 O TYR A 17 -15.023 -6.104 -4.891 1.00 0.00 O ATOM 241 CB TYR A 17 -15.567 -6.778 -8.095 1.00 0.00 C ATOM 242 CG TYR A 17 -15.148 -6.076 -9.411 1.00 0.00 C ATOM 243 CD1 TYR A 17 -14.015 -6.471 -10.110 1.00 0.00 C ATOM 244 CD2 TYR A 17 -15.912 -5.040 -9.918 1.00 0.00 C ATOM 245 CE1 TYR A 17 -13.660 -5.835 -11.284 1.00 0.00 C ATOM 246 CE2 TYR A 17 -15.554 -4.411 -11.092 1.00 0.00 C ATOM 247 CZ TYR A 17 -14.426 -4.803 -11.782 1.00 0.00 C ATOM 248 OH TYR A 17 -14.070 -4.172 -12.956 1.00 0.00 O ATOM 0 H TYR A 17 -15.092 -8.788 -6.734 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.438 -6.576 -7.585 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.899 -7.794 -8.309 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -16.413 -6.253 -7.651 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.407 -7.281 -9.733 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -16.798 -4.721 -9.389 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.774 -6.149 -11.816 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -16.162 -3.605 -11.474 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.365 -3.516 -12.774 1.00 0.00 H new ATOM 258 N HIS A 18 -14.270 -4.529 -6.271 1.00 0.00 N ATOM 259 CA HIS A 18 -14.449 -3.461 -5.237 1.00 0.00 C ATOM 260 C HIS A 18 -14.885 -2.132 -5.857 1.00 0.00 C ATOM 261 O HIS A 18 -16.055 -1.921 -6.101 1.00 0.00 O ATOM 262 CB HIS A 18 -13.105 -3.266 -4.521 1.00 0.00 C ATOM 263 CG HIS A 18 -12.776 -4.540 -3.737 1.00 0.00 C ATOM 264 ND1 HIS A 18 -13.573 -5.274 -2.877 1.00 0.00 N flip ATOM 265 CD2 HIS A 18 -11.685 -5.146 -3.776 1.00 0.00 C flip ATOM 266 CE1 HIS A 18 -12.871 -6.347 -2.423 1.00 0.00 C flip ATOM 267 NE2 HIS A 18 -11.701 -6.182 -3.041 1.00 0.00 N flip ATOM 0 H HIS A 18 -13.904 -4.214 -7.169 1.00 0.00 H new ATOM 0 HA HIS A 18 -15.231 -3.772 -4.544 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -12.318 -3.054 -5.245 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -13.156 -2.411 -3.847 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -10.834 -4.829 -4.361 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -13.180 -7.126 -1.742 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -10.909 -6.816 -2.936 1.00 0.00 H new ATOM 275 N TYR A 19 -13.940 -1.252 -6.104 1.00 0.00 N ATOM 276 CA TYR A 19 -14.319 0.060 -6.705 1.00 0.00 C ATOM 277 C TYR A 19 -14.654 -0.106 -8.188 1.00 0.00 C ATOM 278 O TYR A 19 -15.466 0.620 -8.726 1.00 0.00 O ATOM 279 CB TYR A 19 -13.113 1.044 -6.578 1.00 0.00 C ATOM 280 CG TYR A 19 -12.967 1.574 -5.131 1.00 0.00 C ATOM 281 CD1 TYR A 19 -14.075 1.988 -4.391 1.00 0.00 C ATOM 282 CD2 TYR A 19 -11.718 1.541 -4.498 1.00 0.00 C ATOM 283 CE1 TYR A 19 -13.945 2.330 -3.068 1.00 0.00 C ATOM 284 CE2 TYR A 19 -11.615 1.889 -3.165 1.00 0.00 C ATOM 285 CZ TYR A 19 -12.723 2.284 -2.447 1.00 0.00 C ATOM 286 OH TYR A 19 -12.607 2.625 -1.122 1.00 0.00 O ATOM 0 H TYR A 19 -12.946 -1.384 -5.919 1.00 0.00 H new ATOM 0 HA TYR A 19 -15.192 0.447 -6.180 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -12.195 0.537 -6.876 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -13.251 1.882 -7.262 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.045 2.040 -4.864 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.838 1.245 -5.050 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -14.816 2.639 -2.509 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.652 1.851 -2.678 1.00 0.00 H new ATOM 0 HH TYR A 19 -13.443 2.415 -0.656 1.00 0.00 H new ATOM 296 N GLY A 20 -14.024 -1.058 -8.823 1.00 0.00 N ATOM 297 CA GLY A 20 -14.302 -1.277 -10.275 1.00 0.00 C ATOM 298 C GLY A 20 -13.202 -2.137 -10.906 1.00 0.00 C ATOM 299 O GLY A 20 -12.963 -2.069 -12.094 1.00 0.00 O ATOM 0 H GLY A 20 -13.337 -1.687 -8.407 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.269 -1.765 -10.397 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.362 -0.318 -10.789 1.00 0.00 H new ATOM 303 N VAL A 21 -12.566 -2.932 -10.091 1.00 0.00 N ATOM 304 CA VAL A 21 -11.474 -3.813 -10.601 1.00 0.00 C ATOM 305 C VAL A 21 -11.337 -5.031 -9.726 1.00 0.00 C ATOM 306 O VAL A 21 -12.062 -5.208 -8.778 1.00 0.00 O ATOM 307 CB VAL A 21 -10.123 -3.042 -10.469 1.00 0.00 C ATOM 308 CG1 VAL A 21 -9.964 -1.972 -11.603 1.00 0.00 C ATOM 309 CG2 VAL A 21 -10.120 -2.362 -9.093 1.00 0.00 C ATOM 0 H VAL A 21 -12.755 -3.011 -9.092 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.704 -4.094 -11.629 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.287 -3.735 -10.566 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.013 -1.453 -11.483 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.988 -2.465 -12.575 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.781 -1.253 -11.542 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.189 -1.811 -8.962 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.962 -1.673 -9.026 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.207 -3.119 -8.313 1.00 0.00 H new ATOM 319 N TRP A 22 -10.387 -5.840 -10.066 1.00 0.00 N ATOM 320 CA TRP A 22 -10.137 -7.069 -9.287 1.00 0.00 C ATOM 321 C TRP A 22 -8.958 -6.771 -8.386 1.00 0.00 C ATOM 322 O TRP A 22 -7.845 -7.123 -8.698 1.00 0.00 O ATOM 323 CB TRP A 22 -9.752 -8.202 -10.257 1.00 0.00 C ATOM 324 CG TRP A 22 -10.946 -8.547 -11.142 1.00 0.00 C ATOM 325 CD1 TRP A 22 -11.051 -8.194 -12.408 1.00 0.00 C ATOM 326 CD2 TRP A 22 -11.987 -9.234 -10.751 1.00 0.00 C ATOM 327 NE1 TRP A 22 -12.236 -8.710 -12.784 1.00 0.00 N ATOM 328 CE2 TRP A 22 -12.898 -9.392 -11.781 1.00 0.00 C ATOM 329 CE3 TRP A 22 -12.247 -9.781 -9.512 1.00 0.00 C ATOM 330 CZ2 TRP A 22 -14.065 -10.096 -11.567 1.00 0.00 C ATOM 331 CZ3 TRP A 22 -13.415 -10.485 -9.300 1.00 0.00 C ATOM 332 CH2 TRP A 22 -14.324 -10.642 -10.327 1.00 0.00 C ATOM 0 H TRP A 22 -9.764 -5.700 -10.862 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.014 -7.369 -8.714 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -8.907 -7.895 -10.873 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -9.436 -9.082 -9.697 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -10.352 -7.625 -13.003 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -12.612 -8.607 -13.726 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -11.537 -9.658 -8.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -14.776 -10.220 -12.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -13.618 -10.914 -8.330 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -15.238 -11.192 -10.160 1.00 0.00 H new ATOM 343 N SER A 23 -9.222 -6.085 -7.279 1.00 0.00 N ATOM 344 CA SER A 23 -8.111 -5.736 -6.327 1.00 0.00 C ATOM 345 C SER A 23 -8.164 -6.527 -5.049 1.00 0.00 C ATOM 346 O SER A 23 -9.208 -6.960 -4.606 1.00 0.00 O ATOM 347 CB SER A 23 -8.205 -4.226 -5.987 1.00 0.00 C ATOM 348 OG SER A 23 -9.514 -3.859 -6.380 1.00 0.00 O ATOM 0 H SER A 23 -10.148 -5.759 -7.003 1.00 0.00 H new ATOM 0 HA SER A 23 -7.169 -5.979 -6.819 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.044 -4.047 -4.924 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.452 -3.650 -6.525 1.00 0.00 H new ATOM 0 HG SER A 23 -9.583 -2.882 -6.416 1.00 0.00 H new ATOM 354 N CYS A 24 -7.017 -6.667 -4.468 1.00 0.00 N ATOM 355 CA CYS A 24 -6.927 -7.427 -3.198 1.00 0.00 C ATOM 356 C CYS A 24 -7.403 -6.549 -2.042 1.00 0.00 C ATOM 357 O CYS A 24 -7.203 -5.351 -2.050 1.00 0.00 O ATOM 358 CB CYS A 24 -5.457 -7.836 -2.960 1.00 0.00 C ATOM 359 SG CYS A 24 -4.352 -6.637 -2.160 1.00 0.00 S ATOM 0 H CYS A 24 -6.135 -6.289 -4.815 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.554 -8.317 -3.257 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.457 -8.743 -2.356 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.023 -8.096 -3.926 1.00 0.00 H new ATOM 0 HG CYS A 24 -3.696 -7.223 -1.203 1.00 0.00 H new ATOM 364 N GLU A 25 -8.022 -7.154 -1.073 1.00 0.00 N ATOM 365 CA GLU A 25 -8.515 -6.358 0.086 1.00 0.00 C ATOM 366 C GLU A 25 -7.401 -5.524 0.708 1.00 0.00 C ATOM 367 O GLU A 25 -7.566 -4.343 0.945 1.00 0.00 O ATOM 368 CB GLU A 25 -9.057 -7.329 1.145 1.00 0.00 C ATOM 369 CG GLU A 25 -9.900 -6.550 2.156 1.00 0.00 C ATOM 370 CD GLU A 25 -11.200 -6.098 1.489 1.00 0.00 C ATOM 371 OE1 GLU A 25 -12.024 -6.969 1.266 1.00 0.00 O ATOM 372 OE2 GLU A 25 -11.297 -4.908 1.240 1.00 0.00 O ATOM 0 H GLU A 25 -8.208 -8.156 -1.030 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.292 -5.679 -0.265 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.660 -8.104 0.671 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.233 -7.831 1.651 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.120 -7.175 3.021 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.345 -5.685 2.520 1.00 0.00 H new ATOM 379 N GLY A 26 -6.290 -6.149 0.962 1.00 0.00 N ATOM 380 CA GLY A 26 -5.150 -5.401 1.574 1.00 0.00 C ATOM 381 C GLY A 26 -4.948 -4.053 0.880 1.00 0.00 C ATOM 382 O GLY A 26 -4.613 -3.072 1.513 1.00 0.00 O ATOM 0 H GLY A 26 -6.117 -7.137 0.776 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.341 -5.243 2.635 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.238 -5.994 1.499 1.00 0.00 H new ATOM 386 N CYS A 27 -5.153 -4.029 -0.408 1.00 0.00 N ATOM 387 CA CYS A 27 -4.976 -2.755 -1.145 1.00 0.00 C ATOM 388 C CYS A 27 -6.138 -1.820 -0.871 1.00 0.00 C ATOM 389 O CYS A 27 -5.964 -0.793 -0.266 1.00 0.00 O ATOM 390 CB CYS A 27 -4.894 -3.069 -2.652 1.00 0.00 C ATOM 391 SG CYS A 27 -3.250 -3.366 -3.314 1.00 0.00 S ATOM 0 H CYS A 27 -5.433 -4.830 -0.974 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.060 -2.264 -0.815 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.508 -3.947 -2.853 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.339 -2.238 -3.200 1.00 0.00 H new ATOM 0 HG CYS A 27 -3.299 -4.336 -4.178 1.00 0.00 H new ATOM 396 N LYS A 28 -7.308 -2.198 -1.326 1.00 0.00 N ATOM 397 CA LYS A 28 -8.508 -1.333 -1.096 1.00 0.00 C ATOM 398 C LYS A 28 -8.467 -0.747 0.312 1.00 0.00 C ATOM 399 O LYS A 28 -9.030 0.291 0.572 1.00 0.00 O ATOM 400 CB LYS A 28 -9.768 -2.210 -1.246 1.00 0.00 C ATOM 401 CG LYS A 28 -11.017 -1.319 -1.267 1.00 0.00 C ATOM 402 CD LYS A 28 -12.261 -2.200 -1.042 1.00 0.00 C ATOM 403 CE LYS A 28 -13.544 -1.409 -1.368 1.00 0.00 C ATOM 404 NZ LYS A 28 -13.967 -0.595 -0.196 1.00 0.00 N ATOM 0 H LYS A 28 -7.484 -3.060 -1.842 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.520 -0.515 -1.817 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.710 -2.793 -2.165 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.829 -2.920 -0.421 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.949 -0.557 -0.491 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.092 -0.797 -2.221 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.204 -3.089 -1.671 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.290 -2.543 -0.008 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.370 -0.759 -2.226 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.342 -2.097 -1.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.961 -0.801 0.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.371 -0.830 0.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.865 0.415 -0.420 1.00 0.00 H new ATOM 418 N ALA A 29 -7.783 -1.442 1.194 1.00 0.00 N ATOM 419 CA ALA A 29 -7.678 -0.957 2.587 1.00 0.00 C ATOM 420 C ALA A 29 -6.666 0.176 2.630 1.00 0.00 C ATOM 421 O ALA A 29 -6.932 1.239 3.155 1.00 0.00 O ATOM 422 CB ALA A 29 -7.191 -2.121 3.478 1.00 0.00 C ATOM 0 H ALA A 29 -7.299 -2.319 0.999 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.644 -0.600 2.945 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.108 -1.779 4.510 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.904 -2.943 3.424 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.216 -2.463 3.130 1.00 0.00 H new ATOM 428 N PHE A 30 -5.515 -0.083 2.071 1.00 0.00 N ATOM 429 CA PHE A 30 -4.456 0.955 2.053 1.00 0.00 C ATOM 430 C PHE A 30 -4.937 2.097 1.229 1.00 0.00 C ATOM 431 O PHE A 30 -4.975 3.222 1.664 1.00 0.00 O ATOM 432 CB PHE A 30 -3.192 0.352 1.363 1.00 0.00 C ATOM 433 CG PHE A 30 -2.153 1.465 1.000 1.00 0.00 C ATOM 434 CD1 PHE A 30 -2.335 2.286 -0.121 1.00 0.00 C ATOM 435 CD2 PHE A 30 -1.018 1.649 1.776 1.00 0.00 C ATOM 436 CE1 PHE A 30 -1.398 3.268 -0.441 1.00 0.00 C ATOM 437 CE2 PHE A 30 -0.089 2.627 1.444 1.00 0.00 C ATOM 438 CZ PHE A 30 -0.286 3.431 0.343 1.00 0.00 C ATOM 0 H PHE A 30 -5.267 -0.968 1.628 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.222 1.283 3.066 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.728 -0.379 2.025 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.488 -0.180 0.459 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.209 2.157 -0.743 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.855 1.028 2.644 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.548 3.899 -1.305 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.793 2.758 2.053 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.439 4.193 0.097 1.00 0.00 H new ATOM 448 N PHE A 31 -5.347 1.763 0.061 1.00 0.00 N ATOM 449 CA PHE A 31 -5.841 2.769 -0.857 1.00 0.00 C ATOM 450 C PHE A 31 -6.931 3.609 -0.222 1.00 0.00 C ATOM 451 O PHE A 31 -6.949 4.787 -0.403 1.00 0.00 O ATOM 452 CB PHE A 31 -6.389 2.010 -2.062 1.00 0.00 C ATOM 453 CG PHE A 31 -6.871 2.987 -3.141 1.00 0.00 C ATOM 454 CD1 PHE A 31 -6.035 3.956 -3.646 1.00 0.00 C ATOM 455 CD2 PHE A 31 -8.176 2.950 -3.556 1.00 0.00 C ATOM 456 CE1 PHE A 31 -6.507 4.882 -4.540 1.00 0.00 C ATOM 457 CE2 PHE A 31 -8.664 3.869 -4.439 1.00 0.00 C ATOM 458 CZ PHE A 31 -7.828 4.846 -4.941 1.00 0.00 C ATOM 0 H PHE A 31 -5.358 0.808 -0.298 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.045 3.457 -1.141 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -5.616 1.360 -2.472 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.213 1.368 -1.750 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.001 3.987 -3.336 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.831 2.179 -3.177 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.845 5.640 -4.931 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.699 3.832 -4.744 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.204 5.577 -5.642 1.00 0.00 H new ATOM 468 N LYS A 32 -7.787 2.991 0.558 1.00 0.00 N ATOM 469 CA LYS A 32 -8.883 3.777 1.206 1.00 0.00 C ATOM 470 C LYS A 32 -8.317 4.738 2.229 1.00 0.00 C ATOM 471 O LYS A 32 -8.613 5.915 2.219 1.00 0.00 O ATOM 472 CB LYS A 32 -9.845 2.785 1.939 1.00 0.00 C ATOM 473 CG LYS A 32 -10.997 2.403 1.013 1.00 0.00 C ATOM 474 CD LYS A 32 -11.760 1.215 1.618 1.00 0.00 C ATOM 475 CE LYS A 32 -12.230 1.569 3.037 1.00 0.00 C ATOM 476 NZ LYS A 32 -13.366 0.695 3.442 1.00 0.00 N ATOM 0 H LYS A 32 -7.775 1.994 0.771 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.413 4.342 0.439 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.299 1.892 2.243 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.234 3.245 2.847 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.668 3.251 0.879 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.615 2.140 0.027 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.617 0.965 0.993 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.118 0.335 1.646 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.405 1.452 3.740 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.536 2.615 3.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.672 0.947 4.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.158 0.826 2.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.062 -0.299 3.425 1.00 0.00 H new ATOM 490 N ARG A 33 -7.522 4.214 3.093 1.00 0.00 N ATOM 491 CA ARG A 33 -6.922 5.071 4.132 1.00 0.00 C ATOM 492 C ARG A 33 -5.814 5.904 3.538 1.00 0.00 C ATOM 493 O ARG A 33 -5.331 6.837 4.147 1.00 0.00 O ATOM 494 CB ARG A 33 -6.321 4.145 5.201 1.00 0.00 C ATOM 495 CG ARG A 33 -5.987 4.958 6.460 1.00 0.00 C ATOM 496 CD ARG A 33 -5.318 4.043 7.490 1.00 0.00 C ATOM 497 NE ARG A 33 -6.082 2.767 7.579 1.00 0.00 N ATOM 498 CZ ARG A 33 -5.532 1.729 8.149 1.00 0.00 C ATOM 499 NH1 ARG A 33 -4.476 1.194 7.601 1.00 0.00 N ATOM 500 NH2 ARG A 33 -6.058 1.262 9.248 1.00 0.00 N ATOM 0 H ARG A 33 -7.259 3.229 3.129 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.677 5.734 4.555 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.026 3.350 5.446 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.421 3.665 4.816 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.325 5.786 6.207 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.895 5.393 6.878 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.286 3.844 7.202 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.288 4.532 8.464 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.026 2.705 7.198 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.093 1.587 6.741 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.033 0.383 8.032 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.885 1.707 9.647 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -5.643 0.452 9.708 1.00 0.00 H new ATOM 514 N SER A 34 -5.441 5.555 2.336 1.00 0.00 N ATOM 515 CA SER A 34 -4.349 6.300 1.645 1.00 0.00 C ATOM 516 C SER A 34 -4.767 7.019 0.359 1.00 0.00 C ATOM 517 O SER A 34 -3.907 7.426 -0.378 1.00 0.00 O ATOM 518 CB SER A 34 -3.327 5.273 1.240 1.00 0.00 C ATOM 519 OG SER A 34 -3.143 4.477 2.401 1.00 0.00 O ATOM 0 H SER A 34 -5.846 4.786 1.802 1.00 0.00 H new ATOM 0 HA SER A 34 -3.999 7.065 2.338 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.678 4.674 0.400 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.394 5.743 0.929 1.00 0.00 H new ATOM 0 HG SER A 34 -3.848 3.798 2.447 1.00 0.00 H new ATOM 525 N ILE A 35 -6.043 7.113 0.069 1.00 0.00 N ATOM 526 CA ILE A 35 -6.430 7.838 -1.217 1.00 0.00 C ATOM 527 C ILE A 35 -5.736 9.221 -1.302 1.00 0.00 C ATOM 528 O ILE A 35 -4.540 9.319 -1.208 1.00 0.00 O ATOM 529 CB ILE A 35 -7.993 8.057 -1.331 1.00 0.00 C ATOM 530 CG1 ILE A 35 -8.787 6.779 -1.005 1.00 0.00 C ATOM 531 CG2 ILE A 35 -8.327 8.444 -2.800 1.00 0.00 C ATOM 532 CD1 ILE A 35 -8.620 5.725 -2.155 1.00 0.00 C ATOM 0 H ILE A 35 -6.812 6.743 0.627 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.102 7.201 -2.038 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.271 8.834 -0.618 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.439 6.357 -0.062 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.842 7.021 -0.875 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.401 8.600 -2.900 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.801 9.362 -3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.013 7.642 -3.468 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.187 4.827 -1.910 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.991 6.145 -3.090 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.566 5.470 -2.265 1.00 0.00 H new ATOM 544 N GLN A 36 -6.507 10.261 -1.463 1.00 0.00 N ATOM 545 CA GLN A 36 -5.901 11.613 -1.558 1.00 0.00 C ATOM 546 C GLN A 36 -4.851 11.655 -2.671 1.00 0.00 C ATOM 547 O GLN A 36 -4.213 10.672 -2.972 1.00 0.00 O ATOM 548 CB GLN A 36 -5.221 11.960 -0.227 1.00 0.00 C ATOM 549 CG GLN A 36 -6.189 11.675 0.925 1.00 0.00 C ATOM 550 CD GLN A 36 -7.440 12.538 0.759 1.00 0.00 C ATOM 551 OE1 GLN A 36 -7.321 13.736 0.253 1.00 0.00 O flip ATOM 552 NE2 GLN A 36 -8.537 12.132 1.088 1.00 0.00 N flip ATOM 0 H GLN A 36 -7.524 10.231 -1.532 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.690 12.332 -1.781 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.311 11.372 -0.106 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.926 13.009 -0.219 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.460 10.619 0.935 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.709 11.890 1.880 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.637 11.197 1.484 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -9.358 12.726 0.968 1.00 0.00 H new ATOM 561 N GLY A 37 -4.692 12.798 -3.263 1.00 0.00 N ATOM 562 CA GLY A 37 -3.681 12.932 -4.372 1.00 0.00 C ATOM 563 C GLY A 37 -2.485 13.732 -3.871 1.00 0.00 C ATOM 564 O GLY A 37 -1.450 13.183 -3.550 1.00 0.00 O ATOM 0 H GLY A 37 -5.208 13.649 -3.039 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.359 11.946 -4.707 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.131 13.429 -5.231 1.00 0.00 H new ATOM 568 N HIS A 38 -2.659 15.021 -3.815 1.00 0.00 N ATOM 569 CA HIS A 38 -1.556 15.890 -3.339 1.00 0.00 C ATOM 570 C HIS A 38 -1.339 15.705 -1.841 1.00 0.00 C ATOM 571 O HIS A 38 -1.803 16.491 -1.039 1.00 0.00 O ATOM 572 CB HIS A 38 -1.939 17.353 -3.606 1.00 0.00 C ATOM 573 CG HIS A 38 -0.702 18.237 -3.435 1.00 0.00 C ATOM 574 ND1 HIS A 38 -0.277 18.666 -2.342 1.00 0.00 N ATOM 575 CD2 HIS A 38 0.168 18.730 -4.388 1.00 0.00 C ATOM 576 CE1 HIS A 38 0.764 19.374 -2.494 1.00 0.00 C ATOM 577 NE2 HIS A 38 1.128 19.474 -3.773 1.00 0.00 N ATOM 0 H HIS A 38 -3.516 15.507 -4.078 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.638 15.626 -3.865 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -2.339 17.458 -4.614 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -2.723 17.667 -2.917 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -0.712 18.471 -1.440 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.098 18.553 -5.451 1.00 0.00 H new ATOM 0 HE1 HIS A 38 1.296 19.843 -1.679 1.00 0.00 H new ATOM 585 N ASN A 39 -0.633 14.660 -1.495 1.00 0.00 N ATOM 586 CA ASN A 39 -0.358 14.378 -0.053 1.00 0.00 C ATOM 587 C ASN A 39 1.075 13.926 0.131 1.00 0.00 C ATOM 588 O ASN A 39 1.727 13.530 -0.814 1.00 0.00 O ATOM 589 CB ASN A 39 -1.282 13.261 0.393 1.00 0.00 C ATOM 590 CG ASN A 39 -1.216 13.135 1.917 1.00 0.00 C ATOM 591 OD1 ASN A 39 -0.162 12.590 2.461 1.00 0.00 O flip ATOM 592 ND2 ASN A 39 -2.120 13.530 2.625 1.00 0.00 N flip ATOM 0 H ASN A 39 -0.234 13.988 -2.150 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.522 15.282 0.533 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.304 13.470 0.077 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.989 12.321 -0.075 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.946 13.957 2.206 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.053 13.435 3.638 1.00 0.00 H new ATOM 599 N ASP A 40 1.549 13.989 1.341 1.00 0.00 N ATOM 600 CA ASP A 40 2.950 13.557 1.578 1.00 0.00 C ATOM 601 C ASP A 40 3.017 12.064 1.533 1.00 0.00 C ATOM 602 O ASP A 40 2.525 11.384 2.412 1.00 0.00 O ATOM 603 CB ASP A 40 3.415 14.014 2.939 1.00 0.00 C ATOM 604 CG ASP A 40 3.199 15.523 3.075 1.00 0.00 C ATOM 605 OD1 ASP A 40 3.710 16.222 2.215 1.00 0.00 O ATOM 606 OD2 ASP A 40 2.537 15.890 4.031 1.00 0.00 O ATOM 0 H ASP A 40 1.038 14.314 2.162 1.00 0.00 H new ATOM 0 HA ASP A 40 3.587 13.994 0.809 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.866 13.486 3.718 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.470 13.774 3.074 1.00 0.00 H new ATOM 611 N TYR A 41 3.622 11.577 0.509 1.00 0.00 N ATOM 612 CA TYR A 41 3.755 10.095 0.335 1.00 0.00 C ATOM 613 C TYR A 41 5.193 9.724 0.004 1.00 0.00 C ATOM 614 O TYR A 41 5.952 10.530 -0.495 1.00 0.00 O ATOM 615 CB TYR A 41 2.836 9.657 -0.866 1.00 0.00 C ATOM 616 CG TYR A 41 1.413 9.302 -0.358 1.00 0.00 C ATOM 617 CD1 TYR A 41 0.653 10.218 0.335 1.00 0.00 C ATOM 618 CD2 TYR A 41 0.906 8.034 -0.551 1.00 0.00 C ATOM 619 CE1 TYR A 41 -0.576 9.874 0.843 1.00 0.00 C ATOM 620 CE2 TYR A 41 -0.324 7.674 -0.045 1.00 0.00 C ATOM 621 CZ TYR A 41 -1.080 8.597 0.658 1.00 0.00 C ATOM 622 OH TYR A 41 -2.312 8.253 1.162 1.00 0.00 O ATOM 0 H TYR A 41 4.041 12.136 -0.234 1.00 0.00 H new ATOM 0 HA TYR A 41 3.464 9.595 1.259 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.777 10.461 -1.599 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.274 8.796 -1.372 1.00 0.00 H new ATOM 0 HD1 TYR A 41 1.028 11.220 0.481 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.483 7.311 -1.108 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -1.153 10.604 1.390 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.698 6.672 -0.197 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.979 8.283 0.445 1.00 0.00 H new ATOM 632 N MET A 42 5.531 8.509 0.297 1.00 0.00 N ATOM 633 CA MET A 42 6.901 8.041 0.013 1.00 0.00 C ATOM 634 C MET A 42 7.271 8.278 -1.451 1.00 0.00 C ATOM 635 O MET A 42 6.596 8.992 -2.165 1.00 0.00 O ATOM 636 CB MET A 42 6.973 6.505 0.349 1.00 0.00 C ATOM 637 CG MET A 42 8.223 6.208 1.195 1.00 0.00 C ATOM 638 SD MET A 42 9.770 7.005 0.699 1.00 0.00 S ATOM 639 CE MET A 42 10.887 5.913 1.612 1.00 0.00 C ATOM 0 H MET A 42 4.914 7.818 0.723 1.00 0.00 H new ATOM 0 HA MET A 42 7.611 8.599 0.624 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.077 6.201 0.890 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.001 5.924 -0.573 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.010 6.497 2.224 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.383 5.130 1.193 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.918 6.227 1.447 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.658 5.965 2.676 1.00 0.00 H new ATOM 0 HE3 MET A 42 10.760 4.888 1.263 1.00 0.00 H new ATOM 752 N ILE A 51 6.044 -3.376 -6.726 1.00 0.00 N ATOM 753 CA ILE A 51 5.128 -3.387 -5.537 1.00 0.00 C ATOM 754 C ILE A 51 4.524 -4.791 -5.374 1.00 0.00 C ATOM 755 O ILE A 51 4.083 -5.398 -6.330 1.00 0.00 O ATOM 756 CB ILE A 51 4.012 -2.285 -5.792 1.00 0.00 C ATOM 757 CG1 ILE A 51 4.152 -1.132 -4.778 1.00 0.00 C ATOM 758 CG2 ILE A 51 2.577 -2.884 -5.670 1.00 0.00 C ATOM 759 CD1 ILE A 51 3.652 -1.571 -3.388 1.00 0.00 C ATOM 0 HA ILE A 51 5.657 -3.155 -4.613 1.00 0.00 H new ATOM 0 HB ILE A 51 4.156 -1.912 -6.806 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.195 -0.821 -4.714 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.582 -0.268 -5.120 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.840 -2.102 -5.851 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.451 -3.679 -6.405 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.436 -3.291 -4.669 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.758 -0.745 -2.685 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.603 -1.859 -3.453 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.241 -2.420 -3.041 1.00 0.00 H new ATOM 771 N ASP A 52 4.519 -5.270 -4.156 1.00 0.00 N ATOM 772 CA ASP A 52 3.958 -6.626 -3.890 1.00 0.00 C ATOM 773 C ASP A 52 3.369 -6.693 -2.480 1.00 0.00 C ATOM 774 O ASP A 52 2.680 -5.789 -2.051 1.00 0.00 O ATOM 775 CB ASP A 52 5.104 -7.648 -4.002 1.00 0.00 C ATOM 776 CG ASP A 52 5.846 -7.432 -5.322 1.00 0.00 C ATOM 777 OD1 ASP A 52 5.200 -7.605 -6.341 1.00 0.00 O ATOM 778 OD2 ASP A 52 7.019 -7.106 -5.236 1.00 0.00 O ATOM 0 H ASP A 52 4.879 -4.781 -3.337 1.00 0.00 H new ATOM 0 HA ASP A 52 3.169 -6.842 -4.610 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.791 -7.535 -3.163 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.708 -8.662 -3.956 1.00 0.00 H new ATOM 783 N LYS A 53 3.652 -7.762 -1.782 1.00 0.00 N ATOM 784 CA LYS A 53 3.118 -7.897 -0.405 1.00 0.00 C ATOM 785 C LYS A 53 1.611 -7.643 -0.382 1.00 0.00 C ATOM 786 O LYS A 53 0.976 -7.559 -1.414 1.00 0.00 O ATOM 787 CB LYS A 53 3.820 -6.852 0.491 1.00 0.00 C ATOM 788 CG LYS A 53 5.211 -7.370 0.879 1.00 0.00 C ATOM 789 CD LYS A 53 6.086 -7.483 -0.380 1.00 0.00 C ATOM 790 CE LYS A 53 7.559 -7.567 0.034 1.00 0.00 C ATOM 791 NZ LYS A 53 8.411 -7.914 -1.138 1.00 0.00 N ATOM 0 H LYS A 53 4.226 -8.540 -2.108 1.00 0.00 H new ATOM 0 HA LYS A 53 3.304 -8.908 -0.044 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.907 -5.903 -0.037 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.226 -6.665 1.386 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.675 -6.694 1.598 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.126 -8.342 1.364 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.806 -8.367 -0.953 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.927 -6.620 -1.027 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.880 -6.614 0.455 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.681 -8.317 0.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.406 -7.967 -0.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.115 -8.834 -1.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.307 -7.183 -1.871 1.00 0.00 H new ATOM 805 N ASN A 54 1.066 -7.525 0.807 1.00 0.00 N ATOM 806 CA ASN A 54 -0.402 -7.274 0.937 1.00 0.00 C ATOM 807 C ASN A 54 -0.674 -6.283 2.060 1.00 0.00 C ATOM 808 O ASN A 54 -1.752 -5.728 2.157 1.00 0.00 O ATOM 809 CB ASN A 54 -1.090 -8.606 1.278 1.00 0.00 C ATOM 810 CG ASN A 54 -2.608 -8.417 1.228 1.00 0.00 C ATOM 811 OD1 ASN A 54 -3.176 -8.133 0.192 1.00 0.00 O ATOM 812 ND2 ASN A 54 -3.302 -8.569 2.323 1.00 0.00 N ATOM 0 H ASN A 54 1.574 -7.592 1.689 1.00 0.00 H new ATOM 0 HA ASN A 54 -0.783 -6.863 0.002 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.784 -9.378 0.572 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -0.786 -8.943 2.269 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.315 -8.449 2.306 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.832 -8.807 3.196 1.00 0.00 H new ATOM 819 N ARG A 55 0.316 -6.076 2.895 1.00 0.00 N ATOM 820 CA ARG A 55 0.150 -5.125 4.028 1.00 0.00 C ATOM 821 C ARG A 55 0.634 -3.749 3.640 1.00 0.00 C ATOM 822 O ARG A 55 -0.104 -2.942 3.109 1.00 0.00 O ATOM 823 CB ARG A 55 0.993 -5.641 5.212 1.00 0.00 C ATOM 824 CG ARG A 55 0.316 -6.877 5.807 1.00 0.00 C ATOM 825 CD ARG A 55 1.273 -7.547 6.795 1.00 0.00 C ATOM 826 NE ARG A 55 1.526 -6.617 7.932 1.00 0.00 N ATOM 827 CZ ARG A 55 0.625 -6.488 8.867 1.00 0.00 C ATOM 828 NH1 ARG A 55 0.286 -7.538 9.566 1.00 0.00 N ATOM 829 NH2 ARG A 55 0.093 -5.314 9.075 1.00 0.00 N ATOM 0 H ARG A 55 1.229 -6.526 2.837 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.904 -5.058 4.298 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.000 -5.889 4.877 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.091 -4.864 5.970 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.607 -6.593 6.312 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.045 -7.575 5.015 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.844 -8.480 7.160 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.210 -7.799 6.299 1.00 0.00 H new ATOM 0 HE ARG A 55 2.396 -6.086 7.979 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.724 -8.440 9.377 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.416 -7.456 10.301 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.383 -4.515 8.511 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.613 -5.195 9.802 1.00 0.00 H new ATOM 843 N ARG A 56 1.853 -3.517 3.915 1.00 0.00 N ATOM 844 CA ARG A 56 2.453 -2.200 3.584 1.00 0.00 C ATOM 845 C ARG A 56 3.939 -2.179 3.932 1.00 0.00 C ATOM 846 O ARG A 56 4.433 -1.220 4.493 1.00 0.00 O ATOM 847 CB ARG A 56 1.731 -1.118 4.409 1.00 0.00 C ATOM 848 CG ARG A 56 1.579 -1.606 5.852 1.00 0.00 C ATOM 849 CD ARG A 56 1.084 -0.450 6.723 1.00 0.00 C ATOM 850 NE ARG A 56 0.911 -0.936 8.121 1.00 0.00 N ATOM 851 CZ ARG A 56 0.721 -0.073 9.082 1.00 0.00 C ATOM 852 NH1 ARG A 56 -0.430 0.536 9.166 1.00 0.00 N ATOM 853 NH2 ARG A 56 1.690 0.151 9.928 1.00 0.00 N ATOM 0 H ARG A 56 2.485 -4.181 4.362 1.00 0.00 H new ATOM 0 HA ARG A 56 2.344 -2.015 2.515 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.297 -0.187 4.385 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.752 -0.908 3.978 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.875 -2.437 5.895 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.533 -1.976 6.226 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.797 0.374 6.696 1.00 0.00 H new ATOM 0 HD3 ARG A 56 0.139 -0.066 6.338 1.00 0.00 H new ATOM 0 HE ARG A 56 0.941 -1.935 8.325 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.164 0.335 8.487 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.596 1.213 9.911 1.00 0.00 H new ATOM 0 HH21 ARG A 56 2.576 -0.345 9.831 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.561 0.822 10.686 1.00 0.00 H new ATOM 867 N LYS A 57 4.630 -3.247 3.588 1.00 0.00 N ATOM 868 CA LYS A 57 6.098 -3.322 3.886 1.00 0.00 C ATOM 869 C LYS A 57 6.917 -3.088 2.610 1.00 0.00 C ATOM 870 O LYS A 57 7.894 -3.765 2.361 1.00 0.00 O ATOM 871 CB LYS A 57 6.402 -4.749 4.448 1.00 0.00 C ATOM 872 CG LYS A 57 7.482 -4.662 5.542 1.00 0.00 C ATOM 873 CD LYS A 57 8.787 -4.142 4.931 1.00 0.00 C ATOM 874 CE LYS A 57 9.879 -4.133 6.005 1.00 0.00 C ATOM 875 NZ LYS A 57 9.916 -5.437 6.725 1.00 0.00 N ATOM 0 H LYS A 57 4.241 -4.064 3.117 1.00 0.00 H new ATOM 0 HA LYS A 57 6.369 -2.555 4.611 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.493 -5.190 4.857 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.739 -5.402 3.643 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.152 -3.998 6.341 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.643 -5.643 5.988 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.088 -4.774 4.095 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.642 -3.137 4.535 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.848 -3.938 5.545 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.694 -3.325 6.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.838 -5.550 7.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.161 -5.461 7.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.775 -6.212 6.046 1.00 0.00 H new ATOM 889 N SER A 58 6.495 -2.129 1.827 1.00 0.00 N ATOM 890 CA SER A 58 7.226 -1.823 0.560 1.00 0.00 C ATOM 891 C SER A 58 7.090 -0.346 0.220 1.00 0.00 C ATOM 892 O SER A 58 6.838 0.465 1.086 1.00 0.00 O ATOM 893 CB SER A 58 6.600 -2.654 -0.571 1.00 0.00 C ATOM 894 OG SER A 58 6.400 -3.935 0.010 1.00 0.00 O ATOM 0 H SER A 58 5.678 -1.546 2.009 1.00 0.00 H new ATOM 0 HA SER A 58 8.282 -2.064 0.680 1.00 0.00 H new ATOM 0 HB2 SER A 58 5.660 -2.220 -0.912 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.259 -2.708 -1.438 1.00 0.00 H new ATOM 0 HG SER A 58 5.856 -4.486 -0.591 1.00 0.00 H new ATOM 900 N CYS A 59 7.262 -0.015 -1.034 1.00 0.00 N ATOM 901 CA CYS A 59 7.138 1.412 -1.418 1.00 0.00 C ATOM 902 C CYS A 59 5.678 1.856 -1.325 1.00 0.00 C ATOM 903 O CYS A 59 4.997 2.011 -2.319 1.00 0.00 O ATOM 904 CB CYS A 59 7.648 1.590 -2.861 1.00 0.00 C ATOM 905 SG CYS A 59 8.064 3.281 -3.372 1.00 0.00 S ATOM 0 H CYS A 59 7.479 -0.662 -1.792 1.00 0.00 H new ATOM 0 HA CYS A 59 7.732 2.024 -0.740 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.534 0.968 -2.989 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.888 1.206 -3.541 1.00 0.00 H new ATOM 0 HG CYS A 59 7.578 3.508 -4.556 1.00 0.00 H new ATOM 910 N GLN A 60 5.241 2.047 -0.111 1.00 0.00 N ATOM 911 CA GLN A 60 3.838 2.479 0.140 1.00 0.00 C ATOM 912 C GLN A 60 3.369 3.562 -0.824 1.00 0.00 C ATOM 913 O GLN A 60 2.226 3.568 -1.226 1.00 0.00 O ATOM 914 CB GLN A 60 3.782 3.042 1.579 1.00 0.00 C ATOM 915 CG GLN A 60 3.721 1.879 2.574 1.00 0.00 C ATOM 916 CD GLN A 60 3.985 2.406 3.985 1.00 0.00 C ATOM 917 OE1 GLN A 60 5.114 2.609 4.383 1.00 0.00 O ATOM 918 NE2 GLN A 60 2.971 2.640 4.773 1.00 0.00 N ATOM 0 H GLN A 60 5.805 1.920 0.729 1.00 0.00 H new ATOM 0 HA GLN A 60 3.183 1.619 -0.002 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.659 3.658 1.775 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.909 3.684 1.697 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.744 1.399 2.530 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.460 1.122 2.312 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.020 2.471 4.444 1.00 0.00 H new ATOM 0 HE22 GLN A 60 3.129 2.991 5.717 1.00 0.00 H new ATOM 927 N ALA A 61 4.243 4.450 -1.197 1.00 0.00 N ATOM 928 CA ALA A 61 3.803 5.519 -2.132 1.00 0.00 C ATOM 929 C ALA A 61 3.495 5.006 -3.527 1.00 0.00 C ATOM 930 O ALA A 61 2.501 5.391 -4.108 1.00 0.00 O ATOM 931 CB ALA A 61 4.865 6.618 -2.189 1.00 0.00 C ATOM 0 H ALA A 61 5.220 4.484 -0.904 1.00 0.00 H new ATOM 0 HA ALA A 61 2.867 5.921 -1.743 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.542 7.401 -2.875 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.004 7.041 -1.194 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.807 6.196 -2.539 1.00 0.00 H new ATOM 937 N CYS A 62 4.318 4.158 -4.059 1.00 0.00 N ATOM 938 CA CYS A 62 4.006 3.664 -5.417 1.00 0.00 C ATOM 939 C CYS A 62 2.718 2.867 -5.363 1.00 0.00 C ATOM 940 O CYS A 62 2.044 2.727 -6.349 1.00 0.00 O ATOM 941 CB CYS A 62 5.168 2.772 -5.919 1.00 0.00 C ATOM 942 SG CYS A 62 6.490 3.586 -6.847 1.00 0.00 S ATOM 0 H CYS A 62 5.168 3.794 -3.628 1.00 0.00 H new ATOM 0 HA CYS A 62 3.884 4.501 -6.104 1.00 0.00 H new ATOM 0 HB2 CYS A 62 5.615 2.280 -5.055 1.00 0.00 H new ATOM 0 HB3 CYS A 62 4.746 1.989 -6.548 1.00 0.00 H new ATOM 0 HG CYS A 62 7.383 2.707 -7.192 1.00 0.00 H new ATOM 947 N ARG A 63 2.400 2.343 -4.205 1.00 0.00 N ATOM 948 CA ARG A 63 1.155 1.569 -4.113 1.00 0.00 C ATOM 949 C ARG A 63 0.006 2.492 -4.454 1.00 0.00 C ATOM 950 O ARG A 63 -0.810 2.190 -5.296 1.00 0.00 O ATOM 951 CB ARG A 63 0.991 1.045 -2.674 1.00 0.00 C ATOM 952 CG ARG A 63 -0.070 -0.062 -2.660 1.00 0.00 C ATOM 953 CD ARG A 63 -0.088 -0.729 -1.282 1.00 0.00 C ATOM 954 NE ARG A 63 -0.888 -1.986 -1.367 1.00 0.00 N ATOM 955 CZ ARG A 63 -0.732 -2.912 -0.460 1.00 0.00 C ATOM 956 NH1 ARG A 63 -0.075 -2.622 0.628 1.00 0.00 N ATOM 957 NH2 ARG A 63 -1.237 -4.096 -0.673 1.00 0.00 N ATOM 0 H ARG A 63 2.943 2.422 -3.345 1.00 0.00 H new ATOM 0 HA ARG A 63 1.175 0.723 -4.799 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.941 0.660 -2.304 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.696 1.857 -2.010 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.051 0.356 -2.887 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.148 -0.801 -3.431 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.928 -0.950 -0.956 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.521 -0.055 -0.542 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.553 -2.121 -2.129 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.307 -1.685 0.759 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.057 -3.332 1.348 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.744 -4.286 -1.537 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.125 -4.831 0.025 1.00 0.00 H new ATOM 971 N LEU A 64 -0.035 3.610 -3.776 1.00 0.00 N ATOM 972 CA LEU A 64 -1.111 4.583 -4.037 1.00 0.00 C ATOM 973 C LEU A 64 -1.163 4.904 -5.508 1.00 0.00 C ATOM 974 O LEU A 64 -2.115 4.601 -6.194 1.00 0.00 O ATOM 975 CB LEU A 64 -0.762 5.892 -3.313 1.00 0.00 C ATOM 976 CG LEU A 64 -1.864 6.960 -3.565 1.00 0.00 C ATOM 977 CD1 LEU A 64 -3.229 6.442 -3.023 1.00 0.00 C ATOM 978 CD2 LEU A 64 -1.457 8.284 -2.840 1.00 0.00 C ATOM 0 H LEU A 64 0.634 3.882 -3.056 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.060 4.166 -3.700 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.662 5.708 -2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.201 6.264 -3.664 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.965 7.149 -4.634 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.999 7.192 -3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.497 5.518 -3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.147 6.253 -1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.222 9.042 -3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.361 8.098 -1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.504 8.637 -3.234 1.00 0.00 H new ATOM 990 N ARG A 65 -0.115 5.539 -5.959 1.00 0.00 N ATOM 991 CA ARG A 65 -0.036 5.915 -7.377 1.00 0.00 C ATOM 992 C ARG A 65 -0.380 4.726 -8.240 1.00 0.00 C ATOM 993 O ARG A 65 -1.089 4.854 -9.218 1.00 0.00 O ATOM 994 CB ARG A 65 1.423 6.372 -7.661 1.00 0.00 C ATOM 995 CG ARG A 65 1.557 6.861 -9.127 1.00 0.00 C ATOM 996 CD ARG A 65 0.977 8.298 -9.273 1.00 0.00 C ATOM 997 NE ARG A 65 0.102 8.337 -10.479 1.00 0.00 N ATOM 998 CZ ARG A 65 -0.355 9.484 -10.904 1.00 0.00 C ATOM 999 NH1 ARG A 65 0.427 10.249 -11.614 1.00 0.00 N ATOM 1000 NH2 ARG A 65 -1.578 9.826 -10.603 1.00 0.00 N ATOM 0 H ARG A 65 0.689 5.810 -5.393 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.738 6.717 -7.602 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.700 7.173 -6.976 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.112 5.546 -7.481 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.605 6.853 -9.426 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.030 6.179 -9.794 1.00 0.00 H new ATOM 0 HD2 ARG A 65 0.408 8.568 -8.384 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.784 9.024 -9.368 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.138 7.475 -10.968 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.378 9.948 -11.828 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.088 11.149 -11.955 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.160 9.201 -10.045 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.952 10.718 -10.926 1.00 0.00 H new ATOM 1014 N LYS A 66 0.122 3.584 -7.876 1.00 0.00 N ATOM 1015 CA LYS A 66 -0.190 2.409 -8.681 1.00 0.00 C ATOM 1016 C LYS A 66 -1.643 2.112 -8.523 1.00 0.00 C ATOM 1017 O LYS A 66 -2.254 1.577 -9.407 1.00 0.00 O ATOM 1018 CB LYS A 66 0.640 1.207 -8.203 1.00 0.00 C ATOM 1019 CG LYS A 66 0.337 0.005 -9.109 1.00 0.00 C ATOM 1020 CD LYS A 66 1.411 -1.069 -8.910 1.00 0.00 C ATOM 1021 CE LYS A 66 1.214 -2.170 -9.952 1.00 0.00 C ATOM 1022 NZ LYS A 66 2.066 -3.349 -9.633 1.00 0.00 N ATOM 0 H LYS A 66 0.724 3.427 -7.067 1.00 0.00 H new ATOM 0 HA LYS A 66 0.048 2.598 -9.728 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.703 1.446 -8.235 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.398 0.969 -7.167 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.647 -0.402 -8.875 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.311 0.320 -10.152 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.404 -0.631 -9.009 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.345 -1.486 -7.905 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.166 -2.468 -9.981 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.464 -1.790 -10.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.024 -4.030 -10.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.049 -3.040 -9.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.720 -3.802 -8.763 1.00 0.00 H new ATOM 1036 N CYS A 67 -2.194 2.479 -7.380 1.00 0.00 N ATOM 1037 CA CYS A 67 -3.621 2.213 -7.179 1.00 0.00 C ATOM 1038 C CYS A 67 -4.410 3.139 -8.062 1.00 0.00 C ATOM 1039 O CYS A 67 -5.433 2.780 -8.578 1.00 0.00 O ATOM 1040 CB CYS A 67 -3.976 2.433 -5.700 1.00 0.00 C ATOM 1041 SG CYS A 67 -4.645 1.002 -4.837 1.00 0.00 S ATOM 0 H CYS A 67 -1.712 2.939 -6.608 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.860 1.182 -7.440 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.080 2.764 -5.176 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.701 3.244 -5.636 1.00 0.00 H new ATOM 0 HG CYS A 67 -3.871 0.697 -3.838 1.00 0.00 H new ATOM 1047 N TYR A 68 -3.937 4.336 -8.197 1.00 0.00 N ATOM 1048 CA TYR A 68 -4.671 5.274 -9.059 1.00 0.00 C ATOM 1049 C TYR A 68 -4.443 4.861 -10.496 1.00 0.00 C ATOM 1050 O TYR A 68 -5.271 5.090 -11.354 1.00 0.00 O ATOM 1051 CB TYR A 68 -4.115 6.705 -8.861 1.00 0.00 C ATOM 1052 CG TYR A 68 -4.562 7.337 -7.504 1.00 0.00 C ATOM 1053 CD1 TYR A 68 -5.883 7.244 -7.041 1.00 0.00 C ATOM 1054 CD2 TYR A 68 -3.661 8.103 -6.774 1.00 0.00 C ATOM 1055 CE1 TYR A 68 -6.277 7.899 -5.904 1.00 0.00 C ATOM 1056 CE2 TYR A 68 -4.075 8.771 -5.623 1.00 0.00 C ATOM 1057 CZ TYR A 68 -5.386 8.667 -5.184 1.00 0.00 C ATOM 1058 OH TYR A 68 -5.797 9.320 -4.042 1.00 0.00 O ATOM 0 H TYR A 68 -3.091 4.697 -7.756 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.732 5.260 -8.811 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.026 6.678 -8.904 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.451 7.339 -9.682 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.599 6.648 -7.588 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.634 8.181 -7.100 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.299 7.813 -5.567 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.370 9.374 -5.069 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.016 9.539 -3.491 1.00 0.00 H new ATOM 1068 N GLU A 69 -3.306 4.258 -10.737 1.00 0.00 N ATOM 1069 CA GLU A 69 -3.005 3.815 -12.110 1.00 0.00 C ATOM 1070 C GLU A 69 -4.070 2.865 -12.556 1.00 0.00 C ATOM 1071 O GLU A 69 -4.417 2.785 -13.718 1.00 0.00 O ATOM 1072 CB GLU A 69 -1.649 3.103 -12.101 1.00 0.00 C ATOM 1073 CG GLU A 69 -1.171 2.906 -13.541 1.00 0.00 C ATOM 1074 CD GLU A 69 0.106 2.060 -13.539 1.00 0.00 C ATOM 1075 OE1 GLU A 69 0.327 1.419 -12.526 1.00 0.00 O ATOM 1076 OE2 GLU A 69 0.785 2.104 -14.552 1.00 0.00 O ATOM 0 H GLU A 69 -2.586 4.060 -10.042 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.972 4.666 -12.790 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.921 3.690 -11.541 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.735 2.139 -11.599 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.946 2.414 -14.129 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.980 3.872 -14.008 1.00 0.00 H new ATOM 1083 N VAL A 70 -4.561 2.169 -11.612 1.00 0.00 N ATOM 1084 CA VAL A 70 -5.637 1.181 -11.893 1.00 0.00 C ATOM 1085 C VAL A 70 -6.857 1.915 -12.324 1.00 0.00 C ATOM 1086 O VAL A 70 -7.743 1.376 -12.957 1.00 0.00 O ATOM 1087 CB VAL A 70 -5.991 0.431 -10.586 1.00 0.00 C ATOM 1088 CG1 VAL A 70 -7.136 -0.542 -10.836 1.00 0.00 C ATOM 1089 CG2 VAL A 70 -4.779 -0.346 -10.088 1.00 0.00 C ATOM 0 H VAL A 70 -4.272 2.228 -10.636 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.301 0.485 -12.662 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.291 1.162 -9.836 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.378 -1.065 -9.911 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.012 0.008 -11.182 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.839 -1.266 -11.595 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.036 -0.871 -9.168 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.474 -1.069 -10.845 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.958 0.345 -9.894 1.00 0.00 H new ATOM 1099 N GLY A 71 -6.866 3.140 -11.984 1.00 0.00 N ATOM 1100 CA GLY A 71 -8.013 3.984 -12.339 1.00 0.00 C ATOM 1101 C GLY A 71 -9.205 3.507 -11.527 1.00 0.00 C ATOM 1102 O GLY A 71 -10.315 3.447 -12.019 1.00 0.00 O ATOM 0 H GLY A 71 -6.122 3.609 -11.468 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.798 5.031 -12.125 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.224 3.914 -13.406 1.00 0.00 H new ATOM 1106 N MET A 72 -8.948 3.172 -10.277 1.00 0.00 N ATOM 1107 CA MET A 72 -10.062 2.689 -9.417 1.00 0.00 C ATOM 1108 C MET A 72 -10.878 3.836 -8.920 1.00 0.00 C ATOM 1109 O MET A 72 -12.036 4.003 -9.240 1.00 0.00 O ATOM 1110 CB MET A 72 -9.473 1.955 -8.138 1.00 0.00 C ATOM 1111 CG MET A 72 -9.847 0.505 -8.230 1.00 0.00 C ATOM 1112 SD MET A 72 -9.792 -0.521 -6.748 1.00 0.00 S ATOM 1113 CE MET A 72 -8.238 0.071 -6.206 1.00 0.00 C ATOM 0 H MET A 72 -8.031 3.214 -9.831 1.00 0.00 H new ATOM 0 HA MET A 72 -10.674 2.015 -10.016 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.390 2.068 -8.097 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.874 2.396 -7.226 1.00 0.00 H new ATOM 0 HG2 MET A 72 -10.861 0.454 -8.626 1.00 0.00 H new ATOM 0 HG3 MET A 72 -9.193 0.045 -8.970 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.818 -0.623 -5.479 1.00 0.00 H new ATOM 0 HE2 MET A 72 -7.564 0.156 -7.058 1.00 0.00 H new ATOM 0 HE3 MET A 72 -8.363 1.050 -5.743 1.00 0.00 H new ATOM 1123 N MET A 73 -10.217 4.577 -8.128 1.00 0.00 N ATOM 1124 CA MET A 73 -10.806 5.766 -7.503 1.00 0.00 C ATOM 1125 C MET A 73 -11.860 5.325 -6.533 1.00 0.00 C ATOM 1126 O MET A 73 -12.788 4.626 -6.892 1.00 0.00 O ATOM 1127 CB MET A 73 -11.430 6.694 -8.558 1.00 0.00 C ATOM 1128 CG MET A 73 -10.447 6.896 -9.722 1.00 0.00 C ATOM 1129 SD MET A 73 -10.786 8.258 -10.867 1.00 0.00 S ATOM 1130 CE MET A 73 -9.086 8.503 -11.445 1.00 0.00 C ATOM 0 H MET A 73 -9.245 4.406 -7.870 1.00 0.00 H new ATOM 0 HA MET A 73 -10.022 6.321 -6.988 1.00 0.00 H new ATOM 0 HB2 MET A 73 -12.362 6.265 -8.927 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.678 7.656 -8.109 1.00 0.00 H new ATOM 0 HG2 MET A 73 -9.453 7.048 -9.302 1.00 0.00 H new ATOM 0 HG3 MET A 73 -10.412 5.971 -10.298 1.00 0.00 H new ATOM 0 HE1 MET A 73 -9.063 9.313 -12.174 1.00 0.00 H new ATOM 0 HE2 MET A 73 -8.447 8.757 -10.599 1.00 0.00 H new ATOM 0 HE3 MET A 73 -8.724 7.586 -11.910 1.00 0.00 H new ATOM 1140 N LYS A 74 -11.694 5.729 -5.314 1.00 0.00 N ATOM 1141 CA LYS A 74 -12.670 5.350 -4.270 1.00 0.00 C ATOM 1142 C LYS A 74 -14.105 5.379 -4.793 1.00 0.00 C ATOM 1143 O LYS A 74 -14.879 4.473 -4.556 1.00 0.00 O ATOM 1144 CB LYS A 74 -12.542 6.338 -3.091 1.00 0.00 C ATOM 1145 CG LYS A 74 -13.098 7.716 -3.486 1.00 0.00 C ATOM 1146 CD LYS A 74 -12.635 8.760 -2.461 1.00 0.00 C ATOM 1147 CE LYS A 74 -13.484 10.026 -2.609 1.00 0.00 C ATOM 1148 NZ LYS A 74 -12.982 11.098 -1.703 1.00 0.00 N ATOM 0 H LYS A 74 -10.919 6.309 -4.994 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.451 4.330 -3.953 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.083 5.954 -2.226 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.496 6.431 -2.797 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.752 7.989 -4.483 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -14.187 7.685 -3.524 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.729 8.361 -1.451 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.582 8.995 -2.614 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.456 10.372 -3.642 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.525 9.802 -2.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.568 11.950 -1.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.032 10.771 -0.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.995 11.322 -1.944 1.00 0.00 H new ATOM 1162 N GLY A 75 -14.424 6.419 -5.489 1.00 0.00 N ATOM 1163 CA GLY A 75 -15.801 6.540 -6.044 1.00 0.00 C ATOM 1164 C GLY A 75 -15.946 7.842 -6.832 1.00 0.00 C ATOM 1165 O GLY A 75 -15.011 8.623 -6.764 1.00 0.00 O ATOM 1166 OXT GLY A 75 -16.983 7.983 -7.458 1.00 0.00 O ATOM 0 H GLY A 75 -13.797 7.195 -5.702 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.015 5.690 -6.692 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.530 6.515 -5.234 1.00 0.00 H new