USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 593 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 79 GLN : amide:sc= -3.95 X(o=-4,f=-4!) USER MOD Set 1.2: A 81 CYS SG : rot 180:sc= -0.0396 USER MOD Single : A 8 ASN : amide:sc= -0.806 K(o=-0.81,f=-0.2) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -4.61! C(o=-4.6!,f=-4.2!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -2.01 USER MOD Single : A 37 THR OG1 : rot -140:sc= -1.55 USER MOD Single : A 40 SER OG : rot 160:sc= -0.713 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.173 K(o=-0.17,f=-1.1) USER MOD Single : A 48 CYS SG : rot 22:sc= 0.0143 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -166:sc= -0.388 (180deg=-1.03) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -3.14! C(o=-3.1!,f=-4.4!) USER MOD Single : A 70 GLN : amide:sc= -3.22! K(o=-3.2!,f=-0.54) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -14.647 2.780 -2.564 1.00 0.00 N ATOM 60 CA GLY A 7 -14.029 2.042 -3.650 1.00 0.00 C ATOM 61 C GLY A 7 -13.110 0.943 -3.154 1.00 0.00 C ATOM 62 O GLY A 7 -11.905 1.146 -3.020 1.00 0.00 O ATOM 0 HA2 GLY A 7 -14.806 1.606 -4.278 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.462 2.730 -4.277 1.00 0.00 H new ATOM 66 N ASN A 8 -13.683 -0.225 -2.880 1.00 0.00 N ATOM 67 CA ASN A 8 -12.907 -1.360 -2.393 1.00 0.00 C ATOM 68 C ASN A 8 -12.054 -1.954 -3.510 1.00 0.00 C ATOM 69 O ASN A 8 -12.541 -2.203 -4.613 1.00 0.00 O ATOM 70 CB ASN A 8 -13.837 -2.432 -1.822 1.00 0.00 C ATOM 71 CG ASN A 8 -14.738 -3.040 -2.880 1.00 0.00 C ATOM 72 OD1 ASN A 8 -15.868 -2.595 -3.079 1.00 0.00 O ATOM 73 ND2 ASN A 8 -14.239 -4.063 -3.565 1.00 0.00 N ATOM 0 H ASN A 8 -14.680 -0.410 -2.987 1.00 0.00 H new ATOM 0 HA ASN A 8 -12.245 -1.004 -1.604 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -13.240 -3.219 -1.361 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -14.450 -1.995 -1.034 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -14.798 -4.513 -4.290 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -13.297 -4.399 -3.366 1.00 0.00 H new ATOM 80 N VAL A 9 -10.777 -2.179 -3.215 1.00 0.00 N ATOM 81 CA VAL A 9 -9.855 -2.746 -4.193 1.00 0.00 C ATOM 82 C VAL A 9 -8.839 -3.664 -3.523 1.00 0.00 C ATOM 83 O VAL A 9 -7.969 -3.208 -2.781 1.00 0.00 O ATOM 84 CB VAL A 9 -9.105 -1.642 -4.961 1.00 0.00 C ATOM 85 CG1 VAL A 9 -7.975 -2.240 -5.787 1.00 0.00 C ATOM 86 CG2 VAL A 9 -10.066 -0.860 -5.845 1.00 0.00 C ATOM 0 H VAL A 9 -10.358 -1.977 -2.307 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.455 -3.325 -4.896 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.670 -0.952 -4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.456 -1.445 -6.323 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.273 -2.751 -5.128 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.385 -2.952 -6.503 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.519 -0.084 -6.380 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.532 -1.536 -6.562 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.836 -0.400 -5.227 1.00 0.00 H new ATOM 96 N VAL A 10 -8.956 -4.961 -3.789 1.00 0.00 N ATOM 97 CA VAL A 10 -8.047 -5.944 -3.213 1.00 0.00 C ATOM 98 C VAL A 10 -7.223 -6.632 -4.296 1.00 0.00 C ATOM 99 O VAL A 10 -7.762 -7.350 -5.139 1.00 0.00 O ATOM 100 CB VAL A 10 -8.812 -7.013 -2.409 1.00 0.00 C ATOM 101 CG1 VAL A 10 -7.868 -7.757 -1.476 1.00 0.00 C ATOM 102 CG2 VAL A 10 -9.954 -6.378 -1.631 1.00 0.00 C ATOM 0 H VAL A 10 -9.672 -5.355 -4.400 1.00 0.00 H new ATOM 0 HA VAL A 10 -7.380 -5.403 -2.542 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.236 -7.734 -3.108 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.426 -8.508 -0.917 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.088 -8.245 -2.061 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.412 -7.052 -0.781 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.483 -7.147 -1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.555 -5.634 -0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -10.643 -5.896 -2.325 1.00 0.00 H new ATOM 112 N LEU A 11 -5.914 -6.407 -4.267 1.00 0.00 N ATOM 113 CA LEU A 11 -5.014 -7.005 -5.247 1.00 0.00 C ATOM 114 C LEU A 11 -4.475 -8.342 -4.747 1.00 0.00 C ATOM 115 O LEU A 11 -4.085 -8.488 -3.588 1.00 0.00 O ATOM 116 CB LEU A 11 -3.853 -6.056 -5.549 1.00 0.00 C ATOM 117 CG LEU A 11 -4.225 -4.588 -5.760 1.00 0.00 C ATOM 118 CD1 LEU A 11 -2.978 -3.716 -5.759 1.00 0.00 C ATOM 119 CD2 LEU A 11 -4.998 -4.415 -7.059 1.00 0.00 C ATOM 0 H LEU A 11 -5.452 -5.815 -3.576 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.579 -7.181 -6.162 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.139 -6.115 -4.728 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.341 -6.413 -6.443 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.865 -4.273 -4.936 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.262 -2.675 -5.910 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.464 -3.817 -4.803 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.313 -4.031 -6.563 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.254 -3.364 -7.193 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.383 -4.748 -7.895 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.911 -5.009 -7.021 1.00 0.00 H new ATOM 131 N PRO A 12 -4.450 -9.342 -5.640 1.00 0.00 N ATOM 132 CA PRO A 12 -3.959 -10.684 -5.313 1.00 0.00 C ATOM 133 C PRO A 12 -2.450 -10.711 -5.094 1.00 0.00 C ATOM 134 O PRO A 12 -1.678 -10.341 -5.977 1.00 0.00 O ATOM 135 CB PRO A 12 -4.335 -11.510 -6.546 1.00 0.00 C ATOM 136 CG PRO A 12 -4.409 -10.520 -7.657 1.00 0.00 C ATOM 137 CD PRO A 12 -4.900 -9.240 -7.039 1.00 0.00 C ATOM 0 HA PRO A 12 -4.388 -11.060 -4.384 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.590 -12.279 -6.750 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -5.288 -12.019 -6.406 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.433 -10.380 -8.121 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.087 -10.861 -8.439 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.477 -8.366 -7.535 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.984 -9.151 -7.107 1.00 0.00 H new ATOM 145 N GLY A 13 -2.036 -11.152 -3.910 1.00 0.00 N ATOM 146 CA GLY A 13 -0.621 -11.220 -3.596 1.00 0.00 C ATOM 147 C GLY A 13 -0.145 -12.641 -3.367 1.00 0.00 C ATOM 148 O GLY A 13 -0.737 -13.603 -3.856 1.00 0.00 O ATOM 0 H GLY A 13 -2.656 -11.464 -3.162 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.050 -10.776 -4.411 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.421 -10.625 -2.705 1.00 0.00 H new ATOM 152 N PRO A 14 0.950 -12.786 -2.607 1.00 0.00 N ATOM 153 CA PRO A 14 1.663 -11.648 -2.019 1.00 0.00 C ATOM 154 C PRO A 14 2.384 -10.811 -3.070 1.00 0.00 C ATOM 155 O PRO A 14 2.324 -11.109 -4.263 1.00 0.00 O ATOM 156 CB PRO A 14 2.673 -12.310 -1.078 1.00 0.00 C ATOM 157 CG PRO A 14 2.889 -13.669 -1.648 1.00 0.00 C ATOM 158 CD PRO A 14 1.577 -14.073 -2.262 1.00 0.00 C ATOM 0 HA PRO A 14 0.985 -10.956 -1.520 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.605 -11.745 -1.037 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.288 -12.365 -0.060 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.683 -13.657 -2.395 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.191 -14.374 -0.873 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.721 -14.698 -3.143 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.965 -14.643 -1.563 1.00 0.00 H new ATOM 166 N ALA A 15 3.066 -9.763 -2.620 1.00 0.00 N ATOM 167 CA ALA A 15 3.801 -8.885 -3.522 1.00 0.00 C ATOM 168 C ALA A 15 4.719 -9.684 -4.440 1.00 0.00 C ATOM 169 O ALA A 15 4.950 -10.877 -4.240 1.00 0.00 O ATOM 170 CB ALA A 15 4.603 -7.865 -2.727 1.00 0.00 C ATOM 0 H ALA A 15 3.125 -9.501 -1.636 1.00 0.00 H new ATOM 0 HA ALA A 15 3.079 -8.358 -4.145 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.147 -7.216 -3.413 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.927 -7.265 -2.118 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.310 -8.383 -2.080 1.00 0.00 H new ATOM 176 N PRO A 16 5.255 -9.014 -5.471 1.00 0.00 N ATOM 177 CA PRO A 16 4.987 -7.595 -5.718 1.00 0.00 C ATOM 178 C PRO A 16 3.554 -7.347 -6.176 1.00 0.00 C ATOM 179 O PRO A 16 2.762 -8.282 -6.300 1.00 0.00 O ATOM 180 CB PRO A 16 5.974 -7.236 -6.832 1.00 0.00 C ATOM 181 CG PRO A 16 6.241 -8.524 -7.531 1.00 0.00 C ATOM 182 CD PRO A 16 6.165 -9.592 -6.474 1.00 0.00 C ATOM 0 HA PRO A 16 5.105 -6.995 -4.816 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.551 -6.497 -7.512 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.891 -6.808 -6.426 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.507 -8.701 -8.318 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.222 -8.514 -8.006 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.778 -10.528 -6.876 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.146 -9.808 -6.050 1.00 0.00 H new ATOM 190 N TRP A 17 3.227 -6.084 -6.425 1.00 0.00 N ATOM 191 CA TRP A 17 1.888 -5.715 -6.870 1.00 0.00 C ATOM 192 C TRP A 17 1.922 -5.148 -8.285 1.00 0.00 C ATOM 193 O TRP A 17 1.204 -5.616 -9.168 1.00 0.00 O ATOM 194 CB TRP A 17 1.275 -4.692 -5.912 1.00 0.00 C ATOM 195 CG TRP A 17 1.302 -5.129 -4.479 1.00 0.00 C ATOM 196 CD1 TRP A 17 1.995 -4.545 -3.457 1.00 0.00 C ATOM 197 CD2 TRP A 17 0.607 -6.244 -3.910 1.00 0.00 C ATOM 198 NE1 TRP A 17 1.773 -5.230 -2.287 1.00 0.00 N ATOM 199 CE2 TRP A 17 0.924 -6.276 -2.538 1.00 0.00 C ATOM 200 CE3 TRP A 17 -0.254 -7.216 -4.425 1.00 0.00 C ATOM 201 CZ2 TRP A 17 0.411 -7.243 -1.678 1.00 0.00 C ATOM 202 CZ3 TRP A 17 -0.762 -8.176 -3.570 1.00 0.00 C ATOM 203 CH2 TRP A 17 -0.429 -8.183 -2.209 1.00 0.00 C ATOM 0 H TRP A 17 3.870 -5.299 -6.326 1.00 0.00 H new ATOM 0 HA TRP A 17 1.272 -6.614 -6.874 1.00 0.00 H new ATOM 0 HB2 TRP A 17 1.813 -3.749 -6.007 1.00 0.00 H new ATOM 0 HB3 TRP A 17 0.243 -4.502 -6.207 1.00 0.00 H new ATOM 0 HD1 TRP A 17 2.625 -3.673 -3.554 1.00 0.00 H new ATOM 0 HE1 TRP A 17 2.175 -4.998 -1.379 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -0.518 -7.217 -5.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 0.667 -7.251 -0.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -1.427 -8.934 -3.958 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.844 -8.946 -1.567 1.00 0.00 H new ATOM 214 N GLY A 18 2.761 -4.138 -8.494 1.00 0.00 N ATOM 215 CA GLY A 18 2.872 -3.526 -9.805 1.00 0.00 C ATOM 216 C GLY A 18 2.214 -2.161 -9.865 1.00 0.00 C ATOM 217 O GLY A 18 1.613 -1.797 -10.876 1.00 0.00 O ATOM 0 H GLY A 18 3.365 -3.733 -7.779 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.925 -3.430 -10.070 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.414 -4.180 -10.548 1.00 0.00 H new ATOM 221 N PHE A 19 2.324 -1.405 -8.778 1.00 0.00 N ATOM 222 CA PHE A 19 1.733 -0.074 -8.710 1.00 0.00 C ATOM 223 C PHE A 19 2.590 0.859 -7.859 1.00 0.00 C ATOM 224 O PHE A 19 3.086 0.471 -6.802 1.00 0.00 O ATOM 225 CB PHE A 19 0.317 -0.150 -8.134 1.00 0.00 C ATOM 226 CG PHE A 19 0.272 -0.045 -6.637 1.00 0.00 C ATOM 227 CD1 PHE A 19 0.238 1.194 -6.017 1.00 0.00 C ATOM 228 CD2 PHE A 19 0.264 -1.184 -5.849 1.00 0.00 C ATOM 229 CE1 PHE A 19 0.196 1.295 -4.639 1.00 0.00 C ATOM 230 CE2 PHE A 19 0.222 -1.090 -4.470 1.00 0.00 C ATOM 231 CZ PHE A 19 0.189 0.151 -3.865 1.00 0.00 C ATOM 0 H PHE A 19 2.817 -1.691 -7.932 1.00 0.00 H new ATOM 0 HA PHE A 19 1.685 0.327 -9.723 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.285 0.650 -8.564 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.140 -1.092 -8.438 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.244 2.091 -6.618 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.291 -2.157 -6.317 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.169 2.267 -4.168 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.215 -1.986 -3.867 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.158 0.227 -2.788 1.00 0.00 H new ATOM 241 N ARG A 20 2.758 2.091 -8.329 1.00 0.00 N ATOM 242 CA ARG A 20 3.556 3.079 -7.614 1.00 0.00 C ATOM 243 C ARG A 20 2.662 4.035 -6.829 1.00 0.00 C ATOM 244 O ARG A 20 1.436 3.978 -6.929 1.00 0.00 O ATOM 245 CB ARG A 20 4.429 3.867 -8.592 1.00 0.00 C ATOM 246 CG ARG A 20 5.173 2.991 -9.586 1.00 0.00 C ATOM 247 CD ARG A 20 6.014 1.938 -8.880 1.00 0.00 C ATOM 248 NE ARG A 20 7.257 2.495 -8.352 1.00 0.00 N ATOM 249 CZ ARG A 20 8.341 2.704 -9.090 1.00 0.00 C ATOM 250 NH1 ARG A 20 8.335 2.404 -10.382 1.00 0.00 N ATOM 251 NH2 ARG A 20 9.434 3.213 -8.537 1.00 0.00 N ATOM 0 H ARG A 20 2.352 2.428 -9.202 1.00 0.00 H new ATOM 0 HA ARG A 20 4.199 2.549 -6.911 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.802 4.571 -9.139 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.152 4.456 -8.027 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.458 2.503 -10.249 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.815 3.612 -10.211 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.438 1.500 -8.065 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.245 1.132 -9.576 1.00 0.00 H new ATOM 0 HE ARG A 20 7.294 2.737 -7.362 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.497 2.012 -10.811 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.169 2.565 -10.947 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.443 3.444 -7.544 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.266 3.373 -9.105 1.00 0.00 H new ATOM 265 N LEU A 21 3.284 4.912 -6.049 1.00 0.00 N ATOM 266 CA LEU A 21 2.545 5.881 -5.247 1.00 0.00 C ATOM 267 C LEU A 21 3.326 7.184 -5.110 1.00 0.00 C ATOM 268 O LEU A 21 4.542 7.213 -5.302 1.00 0.00 O ATOM 269 CB LEU A 21 2.247 5.304 -3.862 1.00 0.00 C ATOM 270 CG LEU A 21 3.425 4.650 -3.139 1.00 0.00 C ATOM 271 CD1 LEU A 21 4.696 5.458 -3.349 1.00 0.00 C ATOM 272 CD2 LEU A 21 3.124 4.501 -1.655 1.00 0.00 C ATOM 0 H LEU A 21 4.298 4.972 -5.955 1.00 0.00 H new ATOM 0 HA LEU A 21 1.605 6.095 -5.755 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.860 6.105 -3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.452 4.565 -3.962 1.00 0.00 H new ATOM 0 HG LEU A 21 3.578 3.656 -3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.523 4.977 -2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.921 5.512 -4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.556 6.465 -2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.973 4.034 -1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.944 5.484 -1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.239 3.878 -1.524 1.00 0.00 H new ATOM 284 N SER A 22 2.620 8.259 -4.775 1.00 0.00 N ATOM 285 CA SER A 22 3.248 9.566 -4.614 1.00 0.00 C ATOM 286 C SER A 22 2.449 10.436 -3.649 1.00 0.00 C ATOM 287 O SER A 22 1.223 10.349 -3.586 1.00 0.00 O ATOM 288 CB SER A 22 3.371 10.267 -5.968 1.00 0.00 C ATOM 289 OG SER A 22 3.762 11.619 -5.809 1.00 0.00 O ATOM 0 H SER A 22 1.613 8.251 -4.610 1.00 0.00 H new ATOM 0 HA SER A 22 4.245 9.414 -4.200 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.101 9.745 -6.586 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.417 10.221 -6.493 1.00 0.00 H new ATOM 0 HG SER A 22 3.835 12.044 -6.689 1.00 0.00 H new ATOM 295 N GLY A 23 3.154 11.277 -2.897 1.00 0.00 N ATOM 296 CA GLY A 23 2.495 12.152 -1.945 1.00 0.00 C ATOM 297 C GLY A 23 2.801 11.779 -0.508 1.00 0.00 C ATOM 298 O GLY A 23 3.864 11.234 -0.213 1.00 0.00 O ATOM 0 H GLY A 23 4.169 11.368 -2.930 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.807 13.181 -2.125 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.418 12.113 -2.106 1.00 0.00 H new ATOM 302 N GLY A 24 1.866 12.075 0.390 1.00 0.00 N ATOM 303 CA GLY A 24 2.061 11.762 1.794 1.00 0.00 C ATOM 304 C GLY A 24 1.514 12.839 2.710 1.00 0.00 C ATOM 305 O GLY A 24 1.717 14.030 2.469 1.00 0.00 O ATOM 0 H GLY A 24 0.978 12.526 0.171 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.575 10.814 2.023 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.125 11.630 1.989 1.00 0.00 H new ATOM 309 N ILE A 25 0.817 12.422 3.761 1.00 0.00 N ATOM 310 CA ILE A 25 0.239 13.360 4.715 1.00 0.00 C ATOM 311 C ILE A 25 1.273 14.382 5.177 1.00 0.00 C ATOM 312 O ILE A 25 0.945 15.541 5.431 1.00 0.00 O ATOM 313 CB ILE A 25 -0.332 12.632 5.946 1.00 0.00 C ATOM 314 CG1 ILE A 25 0.746 11.762 6.596 1.00 0.00 C ATOM 315 CG2 ILE A 25 -1.535 11.787 5.551 1.00 0.00 C ATOM 316 CD1 ILE A 25 0.307 11.130 7.899 1.00 0.00 C ATOM 0 H ILE A 25 0.639 11.440 3.974 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.572 13.874 4.199 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.658 13.377 6.672 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.036 10.975 5.899 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.632 12.370 6.777 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.927 11.279 6.432 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.308 12.429 5.128 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.232 11.047 4.810 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.120 10.528 8.303 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.045 11.911 8.612 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.561 10.495 7.721 1.00 0.00 H new ATOM 328 N ASP A 26 2.523 13.944 5.282 1.00 0.00 N ATOM 329 CA ASP A 26 3.606 14.821 5.710 1.00 0.00 C ATOM 330 C ASP A 26 3.935 15.846 4.630 1.00 0.00 C ATOM 331 O ASP A 26 4.375 16.957 4.927 1.00 0.00 O ATOM 332 CB ASP A 26 4.852 14.000 6.047 1.00 0.00 C ATOM 333 CG ASP A 26 6.136 14.769 5.805 1.00 0.00 C ATOM 334 OD1 ASP A 26 6.227 15.928 6.260 1.00 0.00 O ATOM 335 OD2 ASP A 26 7.048 14.213 5.159 1.00 0.00 O ATOM 0 H ASP A 26 2.811 12.987 5.077 1.00 0.00 H new ATOM 0 HA ASP A 26 3.278 15.353 6.603 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.808 13.691 7.091 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.858 13.091 5.446 1.00 0.00 H new ATOM 340 N PHE A 27 3.719 15.466 3.375 1.00 0.00 N ATOM 341 CA PHE A 27 3.994 16.352 2.249 1.00 0.00 C ATOM 342 C PHE A 27 2.737 17.110 1.834 1.00 0.00 C ATOM 343 O PHE A 27 2.652 17.630 0.722 1.00 0.00 O ATOM 344 CB PHE A 27 4.536 15.551 1.063 1.00 0.00 C ATOM 345 CG PHE A 27 5.795 14.794 1.377 1.00 0.00 C ATOM 346 CD1 PHE A 27 5.736 13.503 1.878 1.00 0.00 C ATOM 347 CD2 PHE A 27 7.037 15.372 1.170 1.00 0.00 C ATOM 348 CE1 PHE A 27 6.892 12.803 2.167 1.00 0.00 C ATOM 349 CE2 PHE A 27 8.196 14.677 1.456 1.00 0.00 C ATOM 350 CZ PHE A 27 8.124 13.391 1.957 1.00 0.00 C ATOM 0 H PHE A 27 3.354 14.551 3.112 1.00 0.00 H new ATOM 0 HA PHE A 27 4.746 17.076 2.563 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.772 14.848 0.730 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.728 16.231 0.233 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.775 13.039 2.044 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.100 16.377 0.781 1.00 0.00 H new ATOM 0 HE1 PHE A 27 6.832 11.797 2.557 1.00 0.00 H new ATOM 0 HE2 PHE A 27 9.158 15.138 1.288 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.029 12.847 2.184 1.00 0.00 H new ATOM 360 N ASN A 28 1.762 17.167 2.736 1.00 0.00 N ATOM 361 CA ASN A 28 0.508 17.860 2.463 1.00 0.00 C ATOM 362 C ASN A 28 -0.034 17.483 1.088 1.00 0.00 C ATOM 363 O ASN A 28 -0.539 18.333 0.356 1.00 0.00 O ATOM 364 CB ASN A 28 0.710 19.375 2.547 1.00 0.00 C ATOM 365 CG ASN A 28 1.761 19.873 1.575 1.00 0.00 C ATOM 366 OD1 ASN A 28 1.567 19.834 0.360 1.00 0.00 O ATOM 367 ND2 ASN A 28 2.883 20.344 2.107 1.00 0.00 N ATOM 0 H ASN A 28 1.816 16.742 3.662 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.219 17.555 3.216 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.236 19.877 2.343 1.00 0.00 H new ATOM 0 HB3 ASN A 28 1.001 19.644 3.562 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.627 20.693 1.502 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.001 20.357 3.120 1.00 0.00 H new ATOM 374 N GLN A 29 0.076 16.204 0.745 1.00 0.00 N ATOM 375 CA GLN A 29 -0.403 15.715 -0.543 1.00 0.00 C ATOM 376 C GLN A 29 -1.015 14.325 -0.403 1.00 0.00 C ATOM 377 O GLN A 29 -0.540 13.485 0.361 1.00 0.00 O ATOM 378 CB GLN A 29 0.740 15.683 -1.558 1.00 0.00 C ATOM 379 CG GLN A 29 1.093 17.051 -2.120 1.00 0.00 C ATOM 380 CD GLN A 29 1.962 16.965 -3.360 1.00 0.00 C ATOM 381 OE1 GLN A 29 3.188 16.900 -3.269 1.00 0.00 O ATOM 382 NE2 GLN A 29 1.329 16.966 -4.527 1.00 0.00 N ATOM 0 H GLN A 29 0.492 15.488 1.340 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.175 16.398 -0.899 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.624 15.255 -1.084 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.467 15.021 -2.380 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.176 17.589 -2.360 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.612 17.631 -1.357 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.311 17.021 -4.555 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.861 16.911 -5.396 1.00 0.00 H new ATOM 391 N PRO A 30 -2.094 14.074 -1.160 1.00 0.00 N ATOM 392 CA PRO A 30 -2.793 12.786 -1.139 1.00 0.00 C ATOM 393 C PRO A 30 -1.970 11.669 -1.770 1.00 0.00 C ATOM 394 O PRO A 30 -1.289 11.877 -2.775 1.00 0.00 O ATOM 395 CB PRO A 30 -4.054 13.053 -1.965 1.00 0.00 C ATOM 396 CG PRO A 30 -3.683 14.179 -2.868 1.00 0.00 C ATOM 397 CD PRO A 30 -2.714 15.028 -2.094 1.00 0.00 C ATOM 0 HA PRO A 30 -2.996 12.449 -0.122 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.350 12.171 -2.533 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.897 13.318 -1.327 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.229 13.809 -3.787 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.563 14.755 -3.156 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.973 15.489 -2.747 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.221 15.836 -1.566 1.00 0.00 H new ATOM 405 N LEU A 31 -2.036 10.483 -1.175 1.00 0.00 N ATOM 406 CA LEU A 31 -1.296 9.331 -1.680 1.00 0.00 C ATOM 407 C LEU A 31 -2.000 8.718 -2.887 1.00 0.00 C ATOM 408 O LEU A 31 -2.937 7.933 -2.740 1.00 0.00 O ATOM 409 CB LEU A 31 -1.137 8.280 -0.580 1.00 0.00 C ATOM 410 CG LEU A 31 -0.209 8.654 0.576 1.00 0.00 C ATOM 411 CD1 LEU A 31 -0.593 7.894 1.836 1.00 0.00 C ATOM 412 CD2 LEU A 31 1.241 8.377 0.206 1.00 0.00 C ATOM 0 H LEU A 31 -2.594 10.294 -0.343 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.309 9.673 -1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.123 8.059 -0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.767 7.361 -1.034 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.316 9.721 0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.078 8.173 2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.618 8.141 2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.515 6.822 1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.888 8.649 1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.363 7.317 -0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.512 8.966 -0.670 1.00 0.00 H new ATOM 424 N VAL A 32 -1.541 9.081 -4.080 1.00 0.00 N ATOM 425 CA VAL A 32 -2.124 8.565 -5.313 1.00 0.00 C ATOM 426 C VAL A 32 -1.116 7.722 -6.087 1.00 0.00 C ATOM 427 O VAL A 32 0.090 7.810 -5.854 1.00 0.00 O ATOM 428 CB VAL A 32 -2.625 9.706 -6.218 1.00 0.00 C ATOM 429 CG1 VAL A 32 -3.784 10.440 -5.560 1.00 0.00 C ATOM 430 CG2 VAL A 32 -1.490 10.666 -6.542 1.00 0.00 C ATOM 0 H VAL A 32 -0.767 9.731 -4.219 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.970 7.941 -5.026 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.983 9.275 -7.153 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.125 11.243 -6.214 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.603 9.743 -5.384 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.456 10.861 -4.610 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.862 11.466 -7.182 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.099 11.093 -5.618 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.695 10.128 -7.058 1.00 0.00 H new ATOM 440 N ILE A 33 -1.619 6.907 -7.008 1.00 0.00 N ATOM 441 CA ILE A 33 -0.762 6.050 -7.817 1.00 0.00 C ATOM 442 C ILE A 33 0.034 6.867 -8.830 1.00 0.00 C ATOM 443 O ILE A 33 -0.497 7.779 -9.463 1.00 0.00 O ATOM 444 CB ILE A 33 -1.580 4.982 -8.566 1.00 0.00 C ATOM 445 CG1 ILE A 33 -2.343 4.103 -7.573 1.00 0.00 C ATOM 446 CG2 ILE A 33 -0.670 4.134 -9.442 1.00 0.00 C ATOM 447 CD1 ILE A 33 -3.524 3.384 -8.185 1.00 0.00 C ATOM 0 H ILE A 33 -2.615 6.822 -7.212 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.074 5.555 -7.132 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.303 5.485 -9.208 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.659 3.367 -7.152 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.693 4.722 -6.747 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.264 3.384 -9.965 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.168 4.772 -10.170 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.075 3.638 -8.820 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.017 2.780 -7.423 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.229 4.115 -8.581 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.178 2.738 -8.992 1.00 0.00 H new ATOM 459 N THR A 34 1.312 6.531 -8.979 1.00 0.00 N ATOM 460 CA THR A 34 2.182 7.232 -9.915 1.00 0.00 C ATOM 461 C THR A 34 2.355 6.439 -11.205 1.00 0.00 C ATOM 462 O THR A 34 2.497 7.014 -12.284 1.00 0.00 O ATOM 463 CB THR A 34 3.569 7.500 -9.301 1.00 0.00 C ATOM 464 OG1 THR A 34 3.822 6.572 -8.240 1.00 0.00 O ATOM 465 CG2 THR A 34 3.659 8.922 -8.768 1.00 0.00 C ATOM 0 H THR A 34 1.767 5.778 -8.463 1.00 0.00 H new ATOM 0 HA THR A 34 1.702 8.185 -10.139 1.00 0.00 H new ATOM 0 HB THR A 34 4.319 7.373 -10.082 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.706 6.748 -7.856 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.647 9.088 -8.339 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.494 9.627 -9.583 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.900 9.071 -8.000 1.00 0.00 H new ATOM 473 N ARG A 35 2.340 5.115 -11.087 1.00 0.00 N ATOM 474 CA ARG A 35 2.496 4.243 -12.244 1.00 0.00 C ATOM 475 C ARG A 35 1.811 2.900 -12.009 1.00 0.00 C ATOM 476 O ARG A 35 1.599 2.492 -10.867 1.00 0.00 O ATOM 477 CB ARG A 35 3.979 4.024 -12.549 1.00 0.00 C ATOM 478 CG ARG A 35 4.556 5.035 -13.527 1.00 0.00 C ATOM 479 CD ARG A 35 4.171 4.704 -14.961 1.00 0.00 C ATOM 480 NE ARG A 35 4.633 5.723 -15.900 1.00 0.00 N ATOM 481 CZ ARG A 35 4.280 5.757 -17.180 1.00 0.00 C ATOM 482 NH1 ARG A 35 3.464 4.834 -17.670 1.00 0.00 N ATOM 483 NH2 ARG A 35 4.742 6.715 -17.972 1.00 0.00 N ATOM 0 H ARG A 35 2.221 4.623 -10.201 1.00 0.00 H new ATOM 0 HA ARG A 35 2.024 4.728 -13.099 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.543 4.069 -11.618 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.114 3.021 -12.955 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.198 6.033 -13.274 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.642 5.053 -13.435 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.595 3.738 -15.237 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.088 4.609 -15.033 1.00 0.00 H new ATOM 0 HE ARG A 35 5.261 6.448 -15.554 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.106 4.096 -17.064 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.194 4.862 -18.653 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.369 7.427 -17.598 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.470 6.740 -18.955 1.00 0.00 H new ATOM 497 N ILE A 36 1.467 2.219 -13.097 1.00 0.00 N ATOM 498 CA ILE A 36 0.806 0.923 -13.009 1.00 0.00 C ATOM 499 C ILE A 36 1.359 -0.048 -14.047 1.00 0.00 C ATOM 500 O ILE A 36 1.421 0.266 -15.236 1.00 0.00 O ATOM 501 CB ILE A 36 -0.716 1.052 -13.202 1.00 0.00 C ATOM 502 CG1 ILE A 36 -1.323 1.910 -12.090 1.00 0.00 C ATOM 503 CG2 ILE A 36 -1.366 -0.323 -13.232 1.00 0.00 C ATOM 504 CD1 ILE A 36 -1.270 1.257 -10.727 1.00 0.00 C ATOM 0 H ILE A 36 1.635 2.543 -14.049 1.00 0.00 H new ATOM 0 HA ILE A 36 1.005 0.535 -12.010 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.905 1.542 -14.157 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.795 2.863 -12.048 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.361 2.131 -12.338 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.442 -0.214 -13.369 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.952 -0.903 -14.057 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.170 -0.838 -12.292 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.717 1.921 -9.988 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.822 0.317 -10.752 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.232 1.061 -10.458 1.00 0.00 H new ATOM 516 N THR A 37 1.758 -1.231 -13.590 1.00 0.00 N ATOM 517 CA THR A 37 2.305 -2.248 -14.479 1.00 0.00 C ATOM 518 C THR A 37 1.264 -2.710 -15.493 1.00 0.00 C ATOM 519 O THR A 37 0.252 -3.318 -15.146 1.00 0.00 O ATOM 520 CB THR A 37 2.813 -3.469 -13.689 1.00 0.00 C ATOM 521 OG1 THR A 37 3.414 -3.043 -12.462 1.00 0.00 O ATOM 522 CG2 THR A 37 3.823 -4.260 -14.507 1.00 0.00 C ATOM 0 H THR A 37 1.712 -1.508 -12.609 1.00 0.00 H new ATOM 0 HA THR A 37 3.143 -1.791 -15.006 1.00 0.00 H new ATOM 0 HB THR A 37 1.961 -4.113 -13.471 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.216 -3.578 -12.288 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.168 -5.117 -13.929 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.353 -4.608 -15.427 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.672 -3.622 -14.752 1.00 0.00 H new ATOM 530 N PRO A 38 1.517 -2.416 -16.777 1.00 0.00 N ATOM 531 CA PRO A 38 0.613 -2.793 -17.868 1.00 0.00 C ATOM 532 C PRO A 38 0.597 -4.298 -18.113 1.00 0.00 C ATOM 533 O PRO A 38 1.408 -4.821 -18.877 1.00 0.00 O ATOM 534 CB PRO A 38 1.194 -2.060 -19.079 1.00 0.00 C ATOM 535 CG PRO A 38 2.636 -1.874 -18.754 1.00 0.00 C ATOM 536 CD PRO A 38 2.704 -1.693 -17.263 1.00 0.00 C ATOM 0 HA PRO A 38 -0.422 -2.530 -17.650 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.066 -2.641 -19.992 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.697 -1.103 -19.238 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.222 -2.737 -19.069 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.044 -1.006 -19.272 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.624 -2.107 -16.850 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.675 -0.640 -16.984 1.00 0.00 H new ATOM 544 N GLY A 39 -0.332 -4.990 -17.460 1.00 0.00 N ATOM 545 CA GLY A 39 -0.436 -6.428 -17.622 1.00 0.00 C ATOM 546 C GLY A 39 0.101 -7.186 -16.424 1.00 0.00 C ATOM 547 O GLY A 39 1.020 -7.994 -16.553 1.00 0.00 O ATOM 0 H GLY A 39 -1.014 -4.580 -16.822 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.480 -6.698 -17.781 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.111 -6.731 -18.515 1.00 0.00 H new ATOM 551 N SER A 40 -0.474 -6.925 -15.254 1.00 0.00 N ATOM 552 CA SER A 40 -0.044 -7.584 -14.027 1.00 0.00 C ATOM 553 C SER A 40 -1.121 -7.483 -12.950 1.00 0.00 C ATOM 554 O SER A 40 -2.219 -6.984 -13.198 1.00 0.00 O ATOM 555 CB SER A 40 1.260 -6.966 -13.520 1.00 0.00 C ATOM 556 OG SER A 40 1.004 -5.925 -12.592 1.00 0.00 O ATOM 0 H SER A 40 -1.239 -6.262 -15.131 1.00 0.00 H new ATOM 0 HA SER A 40 0.125 -8.637 -14.250 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.872 -7.735 -13.049 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.832 -6.575 -14.361 1.00 0.00 H new ATOM 0 HG SER A 40 1.805 -5.765 -12.051 1.00 0.00 H new ATOM 562 N LYS A 41 -0.798 -7.960 -11.753 1.00 0.00 N ATOM 563 CA LYS A 41 -1.734 -7.924 -10.636 1.00 0.00 C ATOM 564 C LYS A 41 -2.231 -6.503 -10.389 1.00 0.00 C ATOM 565 O LYS A 41 -3.330 -6.300 -9.873 1.00 0.00 O ATOM 566 CB LYS A 41 -1.071 -8.470 -9.370 1.00 0.00 C ATOM 567 CG LYS A 41 -0.430 -9.834 -9.559 1.00 0.00 C ATOM 568 CD LYS A 41 -1.410 -10.957 -9.265 1.00 0.00 C ATOM 569 CE LYS A 41 -0.904 -12.291 -9.792 1.00 0.00 C ATOM 570 NZ LYS A 41 0.292 -12.766 -9.043 1.00 0.00 N ATOM 0 H LYS A 41 0.106 -8.377 -11.531 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.589 -8.551 -10.890 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.311 -7.764 -9.035 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.817 -8.535 -8.578 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.065 -9.927 -10.582 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.436 -9.924 -8.903 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.572 -11.027 -8.189 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.374 -10.728 -9.718 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.697 -13.035 -9.719 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.655 -12.193 -10.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.606 -13.678 -9.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.058 -12.068 -9.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.048 -12.884 -8.039 1.00 0.00 H new ATOM 584 N ALA A 42 -1.415 -5.522 -10.762 1.00 0.00 N ATOM 585 CA ALA A 42 -1.774 -4.121 -10.584 1.00 0.00 C ATOM 586 C ALA A 42 -2.815 -3.686 -11.610 1.00 0.00 C ATOM 587 O ALA A 42 -3.985 -3.494 -11.278 1.00 0.00 O ATOM 588 CB ALA A 42 -0.536 -3.242 -10.682 1.00 0.00 C ATOM 0 H ALA A 42 -0.501 -5.672 -11.189 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.210 -4.007 -9.591 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.819 -2.198 -10.547 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.175 -3.528 -9.907 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.076 -3.369 -11.662 1.00 0.00 H new ATOM 594 N ALA A 43 -2.382 -3.532 -12.857 1.00 0.00 N ATOM 595 CA ALA A 43 -3.278 -3.122 -13.932 1.00 0.00 C ATOM 596 C ALA A 43 -4.492 -4.040 -14.015 1.00 0.00 C ATOM 597 O ALA A 43 -5.626 -3.576 -14.134 1.00 0.00 O ATOM 598 CB ALA A 43 -2.535 -3.103 -15.260 1.00 0.00 C ATOM 0 H ALA A 43 -1.416 -3.685 -13.148 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.632 -2.115 -13.712 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.216 -2.795 -16.054 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.704 -2.400 -15.202 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.152 -4.100 -15.477 1.00 0.00 H new ATOM 604 N ALA A 44 -4.248 -5.345 -13.953 1.00 0.00 N ATOM 605 CA ALA A 44 -5.322 -6.328 -14.020 1.00 0.00 C ATOM 606 C ALA A 44 -6.367 -6.073 -12.940 1.00 0.00 C ATOM 607 O ALA A 44 -7.467 -6.623 -12.985 1.00 0.00 O ATOM 608 CB ALA A 44 -4.758 -7.735 -13.890 1.00 0.00 C ATOM 0 H ALA A 44 -3.315 -5.746 -13.856 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.809 -6.232 -14.990 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.571 -8.459 -13.942 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.054 -7.921 -14.701 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.244 -7.834 -12.934 1.00 0.00 H new ATOM 614 N ALA A 45 -6.017 -5.236 -11.969 1.00 0.00 N ATOM 615 CA ALA A 45 -6.926 -4.907 -10.878 1.00 0.00 C ATOM 616 C ALA A 45 -7.619 -3.572 -11.124 1.00 0.00 C ATOM 617 O ALA A 45 -8.117 -2.939 -10.194 1.00 0.00 O ATOM 618 CB ALA A 45 -6.174 -4.879 -9.555 1.00 0.00 C ATOM 0 H ALA A 45 -5.110 -4.773 -11.916 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.693 -5.680 -10.831 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.865 -4.632 -8.749 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.732 -5.857 -9.367 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.386 -4.127 -9.600 1.00 0.00 H new ATOM 624 N ASN A 46 -7.646 -3.148 -12.383 1.00 0.00 N ATOM 625 CA ASN A 46 -8.277 -1.885 -12.751 1.00 0.00 C ATOM 626 C ASN A 46 -7.575 -0.710 -12.079 1.00 0.00 C ATOM 627 O ASN A 46 -8.192 0.318 -11.798 1.00 0.00 O ATOM 628 CB ASN A 46 -9.757 -1.899 -12.363 1.00 0.00 C ATOM 629 CG ASN A 46 -10.439 -3.203 -12.729 1.00 0.00 C ATOM 630 OD1 ASN A 46 -9.991 -3.921 -13.624 1.00 0.00 O ATOM 631 ND2 ASN A 46 -11.529 -3.515 -12.038 1.00 0.00 N ATOM 0 H ASN A 46 -7.239 -3.660 -13.166 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.192 -1.766 -13.831 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.850 -1.732 -11.290 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.268 -1.074 -12.859 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.031 -4.380 -12.240 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.864 -2.890 -11.305 1.00 0.00 H new ATOM 638 N LEU A 47 -6.280 -0.868 -11.826 1.00 0.00 N ATOM 639 CA LEU A 47 -5.492 0.181 -11.188 1.00 0.00 C ATOM 640 C LEU A 47 -4.948 1.160 -12.223 1.00 0.00 C ATOM 641 O LEU A 47 -4.493 0.756 -13.294 1.00 0.00 O ATOM 642 CB LEU A 47 -4.338 -0.433 -10.393 1.00 0.00 C ATOM 643 CG LEU A 47 -4.733 -1.386 -9.264 1.00 0.00 C ATOM 644 CD1 LEU A 47 -3.502 -2.070 -8.689 1.00 0.00 C ATOM 645 CD2 LEU A 47 -5.488 -0.639 -8.175 1.00 0.00 C ATOM 0 H LEU A 47 -5.754 -1.712 -12.053 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.144 0.727 -10.507 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.691 -0.971 -11.086 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.745 0.377 -9.967 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.391 -2.152 -9.674 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.802 -2.744 -7.887 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.002 -2.638 -9.473 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.819 -1.318 -8.294 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.761 -1.333 -7.380 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.854 0.148 -7.767 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.391 -0.196 -8.596 1.00 0.00 H new ATOM 657 N CYS A 48 -4.996 2.446 -11.896 1.00 0.00 N ATOM 658 CA CYS A 48 -4.506 3.483 -12.798 1.00 0.00 C ATOM 659 C CYS A 48 -3.824 4.603 -12.018 1.00 0.00 C ATOM 660 O CYS A 48 -4.207 4.934 -10.896 1.00 0.00 O ATOM 661 CB CYS A 48 -5.657 4.051 -13.629 1.00 0.00 C ATOM 662 SG CYS A 48 -5.998 3.128 -15.146 1.00 0.00 S ATOM 0 H CYS A 48 -5.369 2.796 -11.014 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.773 3.032 -13.467 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -6.559 4.069 -13.017 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.428 5.084 -13.889 1.00 0.00 H new ATOM 0 HG CYS A 48 -5.526 1.922 -15.035 1.00 0.00 H new ATOM 668 N PRO A 49 -2.788 5.200 -12.625 1.00 0.00 N ATOM 669 CA PRO A 49 -2.030 6.292 -12.006 1.00 0.00 C ATOM 670 C PRO A 49 -2.841 7.579 -11.909 1.00 0.00 C ATOM 671 O PRO A 49 -2.975 8.315 -12.886 1.00 0.00 O ATOM 672 CB PRO A 49 -0.841 6.479 -12.952 1.00 0.00 C ATOM 673 CG PRO A 49 -1.322 5.978 -14.269 1.00 0.00 C ATOM 674 CD PRO A 49 -2.276 4.857 -13.963 1.00 0.00 C ATOM 0 HA PRO A 49 -1.744 6.059 -10.980 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.543 7.526 -13.011 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.029 5.919 -12.609 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.818 6.770 -14.830 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.491 5.627 -14.880 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.079 4.801 -14.698 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.773 3.890 -13.965 1.00 0.00 H new ATOM 682 N GLY A 50 -3.381 7.845 -10.724 1.00 0.00 N ATOM 683 CA GLY A 50 -4.173 9.045 -10.521 1.00 0.00 C ATOM 684 C GLY A 50 -5.181 8.892 -9.400 1.00 0.00 C ATOM 685 O GLY A 50 -5.628 9.881 -8.819 1.00 0.00 O ATOM 0 H GLY A 50 -3.284 7.251 -9.900 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.510 9.881 -10.297 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.696 9.292 -11.445 1.00 0.00 H new ATOM 689 N ASP A 51 -5.542 7.650 -9.097 1.00 0.00 N ATOM 690 CA ASP A 51 -6.506 7.371 -8.038 1.00 0.00 C ATOM 691 C ASP A 51 -5.997 7.879 -6.693 1.00 0.00 C ATOM 692 O ASP A 51 -4.791 8.005 -6.481 1.00 0.00 O ATOM 693 CB ASP A 51 -6.786 5.869 -7.958 1.00 0.00 C ATOM 694 CG ASP A 51 -7.749 5.401 -9.031 1.00 0.00 C ATOM 695 OD1 ASP A 51 -7.798 6.040 -10.103 1.00 0.00 O ATOM 696 OD2 ASP A 51 -8.455 4.397 -8.799 1.00 0.00 O ATOM 0 H ASP A 51 -5.182 6.821 -9.569 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.433 7.893 -8.276 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.848 5.322 -8.052 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.196 5.631 -6.977 1.00 0.00 H new ATOM 701 N VAL A 52 -6.925 8.170 -5.787 1.00 0.00 N ATOM 702 CA VAL A 52 -6.571 8.664 -4.462 1.00 0.00 C ATOM 703 C VAL A 52 -6.656 7.554 -3.420 1.00 0.00 C ATOM 704 O VAL A 52 -7.727 6.997 -3.178 1.00 0.00 O ATOM 705 CB VAL A 52 -7.487 9.826 -4.033 1.00 0.00 C ATOM 706 CG1 VAL A 52 -7.158 10.272 -2.617 1.00 0.00 C ATOM 707 CG2 VAL A 52 -7.365 10.988 -5.008 1.00 0.00 C ATOM 0 H VAL A 52 -7.928 8.072 -5.947 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.544 9.023 -4.523 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.519 9.476 -4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.816 11.093 -2.332 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.301 9.438 -1.930 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.121 10.605 -2.572 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -8.019 11.800 -4.690 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.333 11.339 -5.028 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.655 10.658 -6.005 1.00 0.00 H new ATOM 717 N ILE A 53 -5.520 7.239 -2.807 1.00 0.00 N ATOM 718 CA ILE A 53 -5.466 6.196 -1.790 1.00 0.00 C ATOM 719 C ILE A 53 -5.916 6.728 -0.433 1.00 0.00 C ATOM 720 O ILE A 53 -5.236 7.552 0.179 1.00 0.00 O ATOM 721 CB ILE A 53 -4.047 5.614 -1.655 1.00 0.00 C ATOM 722 CG1 ILE A 53 -3.511 5.195 -3.026 1.00 0.00 C ATOM 723 CG2 ILE A 53 -4.047 4.432 -0.697 1.00 0.00 C ATOM 724 CD1 ILE A 53 -3.853 3.769 -3.399 1.00 0.00 C ATOM 0 H ILE A 53 -4.625 7.691 -2.997 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.145 5.406 -2.112 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.392 6.385 -1.249 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.913 5.867 -3.785 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.428 5.315 -3.036 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.037 4.032 -0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.391 4.759 0.284 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.714 3.657 -1.075 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.441 3.541 -4.382 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.428 3.088 -2.661 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.936 3.649 -3.422 1.00 0.00 H new ATOM 736 N LEU A 54 -7.065 6.249 0.032 1.00 0.00 N ATOM 737 CA LEU A 54 -7.606 6.674 1.318 1.00 0.00 C ATOM 738 C LEU A 54 -7.026 5.840 2.456 1.00 0.00 C ATOM 739 O LEU A 54 -6.581 6.378 3.469 1.00 0.00 O ATOM 740 CB LEU A 54 -9.131 6.561 1.314 1.00 0.00 C ATOM 741 CG LEU A 54 -9.874 7.538 0.402 1.00 0.00 C ATOM 742 CD1 LEU A 54 -11.299 7.064 0.160 1.00 0.00 C ATOM 743 CD2 LEU A 54 -9.870 8.937 1.002 1.00 0.00 C ATOM 0 H LEU A 54 -7.639 5.566 -0.462 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.325 7.715 1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.399 5.546 1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.489 6.703 2.334 1.00 0.00 H new ATOM 0 HG LEU A 54 -9.357 7.574 -0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.812 7.772 -0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.280 6.083 -0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -11.827 6.998 1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.403 9.619 0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.362 8.917 1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.842 9.278 1.123 1.00 0.00 H new ATOM 755 N ALA A 55 -7.031 4.523 2.279 1.00 0.00 N ATOM 756 CA ALA A 55 -6.502 3.614 3.289 1.00 0.00 C ATOM 757 C ALA A 55 -5.635 2.532 2.653 1.00 0.00 C ATOM 758 O ALA A 55 -5.957 2.016 1.582 1.00 0.00 O ATOM 759 CB ALA A 55 -7.638 2.986 4.081 1.00 0.00 C ATOM 0 H ALA A 55 -7.396 4.061 1.446 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.876 4.191 3.970 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.228 2.310 4.831 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.214 3.769 4.574 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.287 2.428 3.406 1.00 0.00 H new ATOM 765 N ILE A 56 -4.537 2.194 3.319 1.00 0.00 N ATOM 766 CA ILE A 56 -3.625 1.173 2.818 1.00 0.00 C ATOM 767 C ILE A 56 -3.671 -0.079 3.688 1.00 0.00 C ATOM 768 O ILE A 56 -3.643 0.004 4.916 1.00 0.00 O ATOM 769 CB ILE A 56 -2.176 1.691 2.761 1.00 0.00 C ATOM 770 CG1 ILE A 56 -2.039 2.769 1.683 1.00 0.00 C ATOM 771 CG2 ILE A 56 -1.213 0.544 2.495 1.00 0.00 C ATOM 772 CD1 ILE A 56 -0.754 3.561 1.780 1.00 0.00 C ATOM 0 H ILE A 56 -4.257 2.612 4.206 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.953 0.925 1.809 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.926 2.133 3.725 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.093 2.298 0.701 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.884 3.453 1.755 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.193 0.927 2.458 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.295 -0.193 3.294 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.460 0.075 1.542 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.725 4.306 0.985 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.707 4.060 2.748 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.097 2.888 1.677 1.00 0.00 H new ATOM 784 N ASP A 57 -3.739 -1.238 3.043 1.00 0.00 N ATOM 785 CA ASP A 57 -3.786 -2.509 3.757 1.00 0.00 C ATOM 786 C ASP A 57 -4.720 -2.423 4.960 1.00 0.00 C ATOM 787 O ASP A 57 -4.473 -3.038 5.996 1.00 0.00 O ATOM 788 CB ASP A 57 -2.383 -2.914 4.213 1.00 0.00 C ATOM 789 CG ASP A 57 -1.656 -3.749 3.178 1.00 0.00 C ATOM 790 OD1 ASP A 57 -2.130 -4.864 2.877 1.00 0.00 O ATOM 791 OD2 ASP A 57 -0.612 -3.288 2.670 1.00 0.00 O ATOM 0 H ASP A 57 -3.763 -1.324 2.027 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.171 -3.267 3.075 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.801 -2.018 4.426 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.455 -3.476 5.144 1.00 0.00 H new ATOM 796 N GLY A 58 -5.794 -1.653 4.814 1.00 0.00 N ATOM 797 CA GLY A 58 -6.749 -1.499 5.896 1.00 0.00 C ATOM 798 C GLY A 58 -6.287 -0.500 6.939 1.00 0.00 C ATOM 799 O GLY A 58 -6.462 -0.718 8.138 1.00 0.00 O ATOM 0 H GLY A 58 -6.020 -1.133 3.966 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.707 -1.177 5.488 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.914 -2.466 6.371 1.00 0.00 H new ATOM 803 N PHE A 59 -5.693 0.597 6.483 1.00 0.00 N ATOM 804 CA PHE A 59 -5.201 1.632 7.385 1.00 0.00 C ATOM 805 C PHE A 59 -5.260 3.005 6.721 1.00 0.00 C ATOM 806 O PHE A 59 -4.464 3.312 5.835 1.00 0.00 O ATOM 807 CB PHE A 59 -3.767 1.322 7.817 1.00 0.00 C ATOM 808 CG PHE A 59 -3.682 0.387 8.989 1.00 0.00 C ATOM 809 CD1 PHE A 59 -3.847 0.859 10.282 1.00 0.00 C ATOM 810 CD2 PHE A 59 -3.439 -0.964 8.799 1.00 0.00 C ATOM 811 CE1 PHE A 59 -3.769 0.000 11.362 1.00 0.00 C ATOM 812 CE2 PHE A 59 -3.360 -1.827 9.875 1.00 0.00 C ATOM 813 CZ PHE A 59 -3.527 -1.344 11.159 1.00 0.00 C ATOM 0 H PHE A 59 -5.540 0.793 5.494 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.843 1.647 8.266 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.229 0.886 6.975 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.263 2.255 8.069 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.039 1.909 10.447 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.310 -1.347 7.797 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.897 0.380 12.365 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.168 -2.877 9.713 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.468 -2.017 12.002 1.00 0.00 H new ATOM 823 N GLY A 60 -6.210 3.827 7.158 1.00 0.00 N ATOM 824 CA GLY A 60 -6.356 5.157 6.595 1.00 0.00 C ATOM 825 C GLY A 60 -5.058 5.941 6.617 1.00 0.00 C ATOM 826 O GLY A 60 -4.219 5.744 7.496 1.00 0.00 O ATOM 0 H GLY A 60 -6.880 3.596 7.891 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.711 5.076 5.568 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.116 5.703 7.153 1.00 0.00 H new ATOM 830 N THR A 61 -4.892 6.833 5.645 1.00 0.00 N ATOM 831 CA THR A 61 -3.687 7.648 5.554 1.00 0.00 C ATOM 832 C THR A 61 -3.823 8.924 6.375 1.00 0.00 C ATOM 833 O THR A 61 -3.364 9.989 5.963 1.00 0.00 O ATOM 834 CB THR A 61 -3.370 8.021 4.094 1.00 0.00 C ATOM 835 OG1 THR A 61 -4.376 8.904 3.585 1.00 0.00 O ATOM 836 CG2 THR A 61 -3.292 6.777 3.221 1.00 0.00 C ATOM 0 H THR A 61 -5.577 7.009 4.910 1.00 0.00 H new ATOM 0 HA THR A 61 -2.869 7.048 5.953 1.00 0.00 H new ATOM 0 HB THR A 61 -2.402 8.521 4.073 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.167 9.138 2.657 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.067 7.066 2.194 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.506 6.120 3.593 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.247 6.252 3.249 1.00 0.00 H new ATOM 844 N GLU A 62 -4.455 8.810 7.539 1.00 0.00 N ATOM 845 CA GLU A 62 -4.651 9.957 8.418 1.00 0.00 C ATOM 846 C GLU A 62 -3.352 10.328 9.126 1.00 0.00 C ATOM 847 O GLU A 62 -2.983 11.500 9.197 1.00 0.00 O ATOM 848 CB GLU A 62 -5.740 9.657 9.450 1.00 0.00 C ATOM 849 CG GLU A 62 -5.391 8.513 10.388 1.00 0.00 C ATOM 850 CD GLU A 62 -6.612 7.915 11.058 1.00 0.00 C ATOM 851 OE1 GLU A 62 -7.342 8.663 11.741 1.00 0.00 O ATOM 852 OE2 GLU A 62 -6.838 6.697 10.898 1.00 0.00 O ATOM 0 H GLU A 62 -4.840 7.935 7.895 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.965 10.802 7.805 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.928 10.555 10.039 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.667 9.418 8.929 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.871 7.735 9.829 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.701 8.872 11.152 1.00 0.00 H new ATOM 859 N SER A 63 -2.661 9.320 9.649 1.00 0.00 N ATOM 860 CA SER A 63 -1.405 9.539 10.356 1.00 0.00 C ATOM 861 C SER A 63 -0.284 8.704 9.745 1.00 0.00 C ATOM 862 O SER A 63 0.734 8.446 10.386 1.00 0.00 O ATOM 863 CB SER A 63 -1.562 9.194 11.839 1.00 0.00 C ATOM 864 OG SER A 63 -2.000 10.319 12.581 1.00 0.00 O ATOM 0 H SER A 63 -2.950 8.343 9.596 1.00 0.00 H new ATOM 0 HA SER A 63 -1.143 10.593 10.261 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.277 8.379 11.952 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.610 8.841 12.236 1.00 0.00 H new ATOM 0 HG SER A 63 -2.094 10.072 13.525 1.00 0.00 H new ATOM 870 N MET A 64 -0.480 8.285 8.499 1.00 0.00 N ATOM 871 CA MET A 64 0.514 7.480 7.799 1.00 0.00 C ATOM 872 C MET A 64 1.276 8.321 6.780 1.00 0.00 C ATOM 873 O MET A 64 0.706 8.785 5.791 1.00 0.00 O ATOM 874 CB MET A 64 -0.157 6.296 7.100 1.00 0.00 C ATOM 875 CG MET A 64 0.574 5.833 5.850 1.00 0.00 C ATOM 876 SD MET A 64 -0.318 4.544 4.960 1.00 0.00 S ATOM 877 CE MET A 64 -1.047 3.636 6.320 1.00 0.00 C ATOM 0 H MET A 64 -1.317 8.489 7.954 1.00 0.00 H new ATOM 0 HA MET A 64 1.223 7.103 8.536 1.00 0.00 H new ATOM 0 HB2 MET A 64 -0.226 5.463 7.800 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.177 6.573 6.833 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.729 6.685 5.188 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.560 5.461 6.128 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.418 2.677 5.959 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.294 3.467 7.090 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.873 4.210 6.740 1.00 0.00 H new ATOM 887 N THR A 65 2.567 8.517 7.027 1.00 0.00 N ATOM 888 CA THR A 65 3.406 9.304 6.132 1.00 0.00 C ATOM 889 C THR A 65 3.984 8.439 5.017 1.00 0.00 C ATOM 890 O THR A 65 4.047 7.215 5.137 1.00 0.00 O ATOM 891 CB THR A 65 4.562 9.979 6.894 1.00 0.00 C ATOM 892 OG1 THR A 65 5.506 8.993 7.326 1.00 0.00 O ATOM 893 CG2 THR A 65 4.039 10.749 8.097 1.00 0.00 C ATOM 0 H THR A 65 3.055 8.141 7.840 1.00 0.00 H new ATOM 0 HA THR A 65 2.769 10.074 5.697 1.00 0.00 H new ATOM 0 HB THR A 65 5.053 10.680 6.219 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.239 9.431 7.808 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.873 11.217 8.620 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.343 11.518 7.762 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.526 10.064 8.772 1.00 0.00 H new ATOM 901 N HIS A 66 4.406 9.082 3.933 1.00 0.00 N ATOM 902 CA HIS A 66 4.980 8.371 2.797 1.00 0.00 C ATOM 903 C HIS A 66 5.886 7.237 3.268 1.00 0.00 C ATOM 904 O HIS A 66 5.725 6.089 2.854 1.00 0.00 O ATOM 905 CB HIS A 66 5.770 9.335 1.911 1.00 0.00 C ATOM 906 CG HIS A 66 5.785 8.944 0.465 1.00 0.00 C ATOM 907 ND1 HIS A 66 4.641 8.833 -0.296 1.00 0.00 N ATOM 908 CD2 HIS A 66 6.815 8.639 -0.358 1.00 0.00 C ATOM 909 CE1 HIS A 66 4.966 8.474 -1.525 1.00 0.00 C ATOM 910 NE2 HIS A 66 6.280 8.351 -1.590 1.00 0.00 N ATOM 0 H HIS A 66 4.361 10.094 3.818 1.00 0.00 H new ATOM 0 HA HIS A 66 4.162 7.943 2.217 1.00 0.00 H new ATOM 0 HB2 HIS A 66 5.343 10.334 2.004 1.00 0.00 H new ATOM 0 HB3 HIS A 66 6.796 9.391 2.274 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.862 8.625 -0.095 1.00 0.00 H new ATOM 0 HE1 HIS A 66 4.275 8.309 -2.339 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.811 8.085 -2.420 1.00 0.00 H new ATOM 919 N ALA A 67 6.838 7.567 4.134 1.00 0.00 N ATOM 920 CA ALA A 67 7.767 6.576 4.662 1.00 0.00 C ATOM 921 C ALA A 67 7.023 5.437 5.351 1.00 0.00 C ATOM 922 O ALA A 67 7.414 4.274 5.247 1.00 0.00 O ATOM 923 CB ALA A 67 8.745 7.230 5.626 1.00 0.00 C ATOM 0 H ALA A 67 6.986 8.513 4.485 1.00 0.00 H new ATOM 0 HA ALA A 67 8.325 6.156 3.825 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.433 6.478 6.013 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.309 8.003 5.104 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.195 7.678 6.454 1.00 0.00 H new ATOM 929 N ASP A 68 5.951 5.779 6.056 1.00 0.00 N ATOM 930 CA ASP A 68 5.151 4.785 6.763 1.00 0.00 C ATOM 931 C ASP A 68 4.402 3.892 5.780 1.00 0.00 C ATOM 932 O ASP A 68 4.490 2.666 5.848 1.00 0.00 O ATOM 933 CB ASP A 68 4.161 5.472 7.705 1.00 0.00 C ATOM 934 CG ASP A 68 3.865 4.642 8.939 1.00 0.00 C ATOM 935 OD1 ASP A 68 3.014 3.732 8.852 1.00 0.00 O ATOM 936 OD2 ASP A 68 4.485 4.902 9.991 1.00 0.00 O ATOM 0 H ASP A 68 5.615 6.737 6.154 1.00 0.00 H new ATOM 0 HA ASP A 68 5.826 4.162 7.350 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.564 6.438 8.009 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.231 5.668 7.171 1.00 0.00 H new ATOM 941 N ALA A 69 3.663 4.514 4.867 1.00 0.00 N ATOM 942 CA ALA A 69 2.899 3.776 3.870 1.00 0.00 C ATOM 943 C ALA A 69 3.750 2.692 3.218 1.00 0.00 C ATOM 944 O ALA A 69 3.270 1.591 2.949 1.00 0.00 O ATOM 945 CB ALA A 69 2.352 4.726 2.815 1.00 0.00 C ATOM 0 H ALA A 69 3.578 5.528 4.798 1.00 0.00 H new ATOM 0 HA ALA A 69 2.064 3.291 4.375 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.783 4.161 2.076 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.702 5.461 3.289 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.179 5.238 2.322 1.00 0.00 H new ATOM 951 N GLN A 70 5.016 3.011 2.966 1.00 0.00 N ATOM 952 CA GLN A 70 5.933 2.063 2.344 1.00 0.00 C ATOM 953 C GLN A 70 6.031 0.782 3.165 1.00 0.00 C ATOM 954 O GLN A 70 6.075 -0.318 2.614 1.00 0.00 O ATOM 955 CB GLN A 70 7.319 2.691 2.188 1.00 0.00 C ATOM 956 CG GLN A 70 7.325 3.949 1.334 1.00 0.00 C ATOM 957 CD GLN A 70 7.450 3.649 -0.147 1.00 0.00 C ATOM 958 OE1 GLN A 70 8.495 3.195 -0.614 1.00 0.00 O ATOM 959 NE2 GLN A 70 6.382 3.901 -0.894 1.00 0.00 N ATOM 0 H GLN A 70 5.429 3.918 3.183 1.00 0.00 H new ATOM 0 HA GLN A 70 5.543 1.811 1.358 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.713 2.931 3.176 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.993 1.958 1.745 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.406 4.508 1.511 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.152 4.589 1.642 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.537 4.277 -0.465 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.407 3.718 -1.897 1.00 0.00 H new ATOM 968 N ASP A 71 6.066 0.932 4.484 1.00 0.00 N ATOM 969 CA ASP A 71 6.158 -0.214 5.382 1.00 0.00 C ATOM 970 C ASP A 71 4.868 -1.028 5.359 1.00 0.00 C ATOM 971 O ASP A 71 4.817 -2.144 5.876 1.00 0.00 O ATOM 972 CB ASP A 71 6.457 0.251 6.808 1.00 0.00 C ATOM 973 CG ASP A 71 7.241 -0.777 7.600 1.00 0.00 C ATOM 974 OD1 ASP A 71 8.406 -1.045 7.235 1.00 0.00 O ATOM 975 OD2 ASP A 71 6.691 -1.313 8.584 1.00 0.00 O ATOM 0 H ASP A 71 6.032 1.836 4.956 1.00 0.00 H new ATOM 0 HA ASP A 71 6.973 -0.850 5.037 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.019 1.184 6.772 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.519 0.463 7.322 1.00 0.00 H new ATOM 980 N ARG A 72 3.828 -0.461 4.757 1.00 0.00 N ATOM 981 CA ARG A 72 2.537 -1.133 4.669 1.00 0.00 C ATOM 982 C ARG A 72 2.399 -1.875 3.343 1.00 0.00 C ATOM 983 O ARG A 72 1.717 -2.896 3.260 1.00 0.00 O ATOM 984 CB ARG A 72 1.400 -0.120 4.820 1.00 0.00 C ATOM 985 CG ARG A 72 1.124 0.275 6.261 1.00 0.00 C ATOM 986 CD ARG A 72 0.130 -0.670 6.918 1.00 0.00 C ATOM 987 NE ARG A 72 -0.201 -0.256 8.279 1.00 0.00 N ATOM 988 CZ ARG A 72 0.606 -0.436 9.318 1.00 0.00 C ATOM 989 NH1 ARG A 72 1.785 -1.019 9.153 1.00 0.00 N ATOM 990 NH2 ARG A 72 0.234 -0.033 10.526 1.00 0.00 N ATOM 0 H ARG A 72 3.854 0.462 4.323 1.00 0.00 H new ATOM 0 HA ARG A 72 2.478 -1.860 5.479 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.643 0.775 4.247 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.492 -0.539 4.387 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.057 0.273 6.825 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.735 1.293 6.292 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.780 -0.711 6.320 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.545 -1.678 6.936 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.101 0.196 8.440 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.075 -1.331 8.226 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.403 -1.156 9.953 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.673 0.416 10.657 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.855 -0.172 11.323 1.00 0.00 H new ATOM 1004 N ILE A 73 3.051 -1.353 2.309 1.00 0.00 N ATOM 1005 CA ILE A 73 3.002 -1.967 0.987 1.00 0.00 C ATOM 1006 C ILE A 73 4.007 -3.107 0.873 1.00 0.00 C ATOM 1007 O ILE A 73 3.701 -4.168 0.328 1.00 0.00 O ATOM 1008 CB ILE A 73 3.283 -0.936 -0.122 1.00 0.00 C ATOM 1009 CG1 ILE A 73 2.195 0.139 -0.138 1.00 0.00 C ATOM 1010 CG2 ILE A 73 3.374 -1.626 -1.475 1.00 0.00 C ATOM 1011 CD1 ILE A 73 2.679 1.482 -0.637 1.00 0.00 C ATOM 0 H ILE A 73 3.619 -0.507 2.361 1.00 0.00 H new ATOM 0 HA ILE A 73 1.994 -2.361 0.859 1.00 0.00 H new ATOM 0 HB ILE A 73 4.239 -0.454 0.084 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.372 -0.198 -0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.797 0.257 0.870 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.573 -0.885 -2.249 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.182 -2.357 -1.457 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.432 -2.131 -1.690 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.855 2.195 -0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.482 1.841 0.006 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.050 1.379 -1.657 1.00 0.00 H new ATOM 1023 N LYS A 74 5.210 -2.884 1.392 1.00 0.00 N ATOM 1024 CA LYS A 74 6.261 -3.893 1.352 1.00 0.00 C ATOM 1025 C LYS A 74 5.953 -5.037 2.312 1.00 0.00 C ATOM 1026 O LYS A 74 6.242 -6.198 2.022 1.00 0.00 O ATOM 1027 CB LYS A 74 7.612 -3.266 1.705 1.00 0.00 C ATOM 1028 CG LYS A 74 7.760 -2.931 3.179 1.00 0.00 C ATOM 1029 CD LYS A 74 9.089 -2.251 3.465 1.00 0.00 C ATOM 1030 CE LYS A 74 10.222 -3.261 3.562 1.00 0.00 C ATOM 1031 NZ LYS A 74 10.250 -3.938 4.888 1.00 0.00 N ATOM 0 H LYS A 74 5.481 -2.012 1.846 1.00 0.00 H new ATOM 0 HA LYS A 74 6.307 -4.294 0.340 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.408 -3.952 1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.745 -2.357 1.119 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.943 -2.280 3.489 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.682 -3.843 3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.308 -1.532 2.676 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.019 -1.690 4.397 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.111 -4.007 2.775 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.173 -2.757 3.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.036 -4.618 4.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 10.381 -3.229 5.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.352 -4.440 5.040 1.00 0.00 H new ATOM 1045 N ALA A 75 5.365 -4.702 3.456 1.00 0.00 N ATOM 1046 CA ALA A 75 5.015 -5.703 4.457 1.00 0.00 C ATOM 1047 C ALA A 75 3.575 -6.174 4.282 1.00 0.00 C ATOM 1048 O ALA A 75 2.967 -6.700 5.213 1.00 0.00 O ATOM 1049 CB ALA A 75 5.223 -5.144 5.856 1.00 0.00 C ATOM 0 H ALA A 75 5.121 -3.745 3.713 1.00 0.00 H new ATOM 0 HA ALA A 75 5.670 -6.563 4.320 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.958 -5.901 6.594 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.268 -4.863 5.984 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.592 -4.266 5.995 1.00 0.00 H new ATOM 1055 N ALA A 76 3.036 -5.982 3.082 1.00 0.00 N ATOM 1056 CA ALA A 76 1.668 -6.389 2.785 1.00 0.00 C ATOM 1057 C ALA A 76 1.468 -7.877 3.053 1.00 0.00 C ATOM 1058 O ALA A 76 2.375 -8.559 3.530 1.00 0.00 O ATOM 1059 CB ALA A 76 1.322 -6.059 1.341 1.00 0.00 C ATOM 0 H ALA A 76 3.526 -5.547 2.300 1.00 0.00 H new ATOM 0 HA ALA A 76 0.998 -5.835 3.443 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.298 -6.368 1.132 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.417 -4.985 1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.003 -6.587 0.674 1.00 0.00 H new ATOM 1065 N SER A 77 0.275 -8.374 2.743 1.00 0.00 N ATOM 1066 CA SER A 77 -0.046 -9.780 2.955 1.00 0.00 C ATOM 1067 C SER A 77 -0.477 -10.442 1.650 1.00 0.00 C ATOM 1068 O SER A 77 -0.558 -9.791 0.608 1.00 0.00 O ATOM 1069 CB SER A 77 -1.153 -9.921 4.002 1.00 0.00 C ATOM 1070 OG SER A 77 -0.777 -9.317 5.227 1.00 0.00 O ATOM 0 H SER A 77 -0.485 -7.823 2.344 1.00 0.00 H new ATOM 0 HA SER A 77 0.852 -10.281 3.317 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.069 -9.460 3.632 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.371 -10.976 4.165 1.00 0.00 H new ATOM 0 HG SER A 77 -1.502 -9.419 5.878 1.00 0.00 H new ATOM 1076 N TYR A 78 -0.754 -11.739 1.715 1.00 0.00 N ATOM 1077 CA TYR A 78 -1.175 -12.491 0.538 1.00 0.00 C ATOM 1078 C TYR A 78 -2.120 -11.663 -0.327 1.00 0.00 C ATOM 1079 O TYR A 78 -2.177 -11.838 -1.544 1.00 0.00 O ATOM 1080 CB TYR A 78 -1.858 -13.794 0.957 1.00 0.00 C ATOM 1081 CG TYR A 78 -2.820 -13.629 2.112 1.00 0.00 C ATOM 1082 CD1 TYR A 78 -2.366 -13.621 3.425 1.00 0.00 C ATOM 1083 CD2 TYR A 78 -4.184 -13.483 1.890 1.00 0.00 C ATOM 1084 CE1 TYR A 78 -3.241 -13.472 4.483 1.00 0.00 C ATOM 1085 CE2 TYR A 78 -5.066 -13.331 2.942 1.00 0.00 C ATOM 1086 CZ TYR A 78 -4.590 -13.326 4.236 1.00 0.00 C ATOM 1087 OH TYR A 78 -5.466 -13.177 5.287 1.00 0.00 O ATOM 0 H TYR A 78 -0.695 -12.292 2.570 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.287 -12.727 -0.049 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.396 -14.203 0.102 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.095 -14.522 1.232 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.310 -13.733 3.622 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.561 -13.488 0.878 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.871 -13.470 5.498 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.123 -13.217 2.752 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.379 -13.085 4.942 1.00 0.00 H new ATOM 1097 N GLN A 79 -2.860 -10.762 0.311 1.00 0.00 N ATOM 1098 CA GLN A 79 -3.803 -9.907 -0.400 1.00 0.00 C ATOM 1099 C GLN A 79 -3.744 -8.477 0.126 1.00 0.00 C ATOM 1100 O GLN A 79 -3.955 -8.232 1.314 1.00 0.00 O ATOM 1101 CB GLN A 79 -5.224 -10.456 -0.264 1.00 0.00 C ATOM 1102 CG GLN A 79 -5.658 -10.670 1.177 1.00 0.00 C ATOM 1103 CD GLN A 79 -6.325 -9.447 1.774 1.00 0.00 C ATOM 1104 OE1 GLN A 79 -5.808 -8.839 2.713 1.00 0.00 O ATOM 1105 NE2 GLN A 79 -7.479 -9.078 1.232 1.00 0.00 N ATOM 0 H GLN A 79 -2.825 -10.605 1.318 1.00 0.00 H new ATOM 0 HA GLN A 79 -3.524 -9.898 -1.454 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.918 -9.767 -0.745 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.292 -11.403 -0.800 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.347 -11.514 1.223 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.789 -10.935 1.779 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.871 -9.611 0.455 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.974 -8.262 1.592 1.00 0.00 H new ATOM 1114 N LEU A 80 -3.457 -7.535 -0.766 1.00 0.00 N ATOM 1115 CA LEU A 80 -3.371 -6.128 -0.392 1.00 0.00 C ATOM 1116 C LEU A 80 -4.728 -5.445 -0.522 1.00 0.00 C ATOM 1117 O LEU A 80 -5.487 -5.722 -1.452 1.00 0.00 O ATOM 1118 CB LEU A 80 -2.340 -5.410 -1.266 1.00 0.00 C ATOM 1119 CG LEU A 80 -2.230 -3.897 -1.068 1.00 0.00 C ATOM 1120 CD1 LEU A 80 -1.574 -3.580 0.267 1.00 0.00 C ATOM 1121 CD2 LEU A 80 -1.449 -3.266 -2.211 1.00 0.00 C ATOM 0 H LEU A 80 -3.280 -7.720 -1.753 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.057 -6.074 0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.362 -5.853 -1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.582 -5.603 -2.311 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.235 -3.476 -1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.504 -2.499 0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.173 -4.000 1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.574 -4.014 0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.380 -2.190 -2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.446 -3.692 -2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.960 -3.463 -3.153 1.00 0.00 H new ATOM 1133 N CYS A 81 -5.027 -4.551 0.414 1.00 0.00 N ATOM 1134 CA CYS A 81 -6.294 -3.827 0.404 1.00 0.00 C ATOM 1135 C CYS A 81 -6.060 -2.325 0.277 1.00 0.00 C ATOM 1136 O CYS A 81 -5.352 -1.725 1.086 1.00 0.00 O ATOM 1137 CB CYS A 81 -7.086 -4.127 1.677 1.00 0.00 C ATOM 1138 SG CYS A 81 -8.032 -5.666 1.612 1.00 0.00 S ATOM 0 H CYS A 81 -4.410 -4.310 1.189 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.869 -4.161 -0.460 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -6.396 -4.173 2.519 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -7.770 -3.300 1.870 1.00 0.00 H new ATOM 0 HG CYS A 81 -8.666 -5.833 2.735 1.00 0.00 H new ATOM 1144 N LEU A 82 -6.659 -1.724 -0.745 1.00 0.00 N ATOM 1145 CA LEU A 82 -6.515 -0.291 -0.980 1.00 0.00 C ATOM 1146 C LEU A 82 -7.866 0.350 -1.282 1.00 0.00 C ATOM 1147 O LEU A 82 -8.500 0.042 -2.292 1.00 0.00 O ATOM 1148 CB LEU A 82 -5.548 -0.038 -2.138 1.00 0.00 C ATOM 1149 CG LEU A 82 -4.159 -0.662 -2.001 1.00 0.00 C ATOM 1150 CD1 LEU A 82 -3.403 -0.578 -3.318 1.00 0.00 C ATOM 1151 CD2 LEU A 82 -3.375 0.021 -0.889 1.00 0.00 C ATOM 0 H LEU A 82 -7.249 -2.206 -1.424 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.113 0.162 -0.074 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.004 -0.413 -3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.430 1.039 -2.258 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.278 -1.714 -1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.417 -1.027 -3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.956 -1.113 -4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.294 0.467 -3.609 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.389 -0.436 -0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.266 1.081 -1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.908 -0.092 0.055 1.00 0.00 H new ATOM 1163 N LYS A 83 -8.301 1.244 -0.401 1.00 0.00 N ATOM 1164 CA LYS A 83 -9.575 1.931 -0.574 1.00 0.00 C ATOM 1165 C LYS A 83 -9.385 3.254 -1.309 1.00 0.00 C ATOM 1166 O LYS A 83 -8.556 4.077 -0.919 1.00 0.00 O ATOM 1167 CB LYS A 83 -10.232 2.181 0.786 1.00 0.00 C ATOM 1168 CG LYS A 83 -11.503 3.008 0.705 1.00 0.00 C ATOM 1169 CD LYS A 83 -12.228 3.050 2.040 1.00 0.00 C ATOM 1170 CE LYS A 83 -13.033 4.330 2.197 1.00 0.00 C ATOM 1171 NZ LYS A 83 -13.965 4.261 3.357 1.00 0.00 N ATOM 0 H LYS A 83 -7.790 1.510 0.441 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.225 1.293 -1.173 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.462 1.222 1.251 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.519 2.688 1.436 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.258 4.023 0.391 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.163 2.589 -0.055 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.892 2.189 2.122 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.504 2.973 2.851 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.354 5.173 2.327 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.601 4.516 1.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.495 5.153 3.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.630 3.473 3.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.421 4.109 4.231 1.00 0.00 H new ATOM 1185 N ILE A 84 -10.157 3.452 -2.372 1.00 0.00 N ATOM 1186 CA ILE A 84 -10.074 4.676 -3.159 1.00 0.00 C ATOM 1187 C ILE A 84 -11.377 5.465 -3.087 1.00 0.00 C ATOM 1188 O ILE A 84 -12.445 4.900 -2.853 1.00 0.00 O ATOM 1189 CB ILE A 84 -9.750 4.376 -4.634 1.00 0.00 C ATOM 1190 CG1 ILE A 84 -10.752 3.371 -5.205 1.00 0.00 C ATOM 1191 CG2 ILE A 84 -8.329 3.848 -4.767 1.00 0.00 C ATOM 1192 CD1 ILE A 84 -10.811 3.369 -6.716 1.00 0.00 C ATOM 0 H ILE A 84 -10.847 2.780 -2.708 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.267 5.271 -2.732 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.828 5.302 -5.203 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -10.489 2.371 -4.858 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -11.743 3.595 -4.811 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.115 3.640 -5.815 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.627 4.594 -4.394 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.226 2.931 -4.187 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -11.542 2.633 -7.051 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -11.104 4.358 -7.070 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -9.830 3.115 -7.118 1.00 0.00 H new ATOM 1204 N ASP A 85 -11.280 6.775 -3.290 1.00 0.00 N ATOM 1205 CA ASP A 85 -12.452 7.642 -3.251 1.00 0.00 C ATOM 1206 C ASP A 85 -13.251 7.535 -4.546 1.00 0.00 C ATOM 1207 O ASP A 85 -14.468 7.724 -4.554 1.00 0.00 O ATOM 1208 CB ASP A 85 -12.030 9.094 -3.017 1.00 0.00 C ATOM 1209 CG ASP A 85 -13.215 10.036 -2.944 1.00 0.00 C ATOM 1210 OD1 ASP A 85 -13.846 10.279 -3.994 1.00 0.00 O ATOM 1211 OD2 ASP A 85 -13.513 10.530 -1.837 1.00 0.00 O ATOM 0 H ASP A 85 -10.403 7.259 -3.483 1.00 0.00 H new ATOM 0 HA ASP A 85 -13.086 7.317 -2.426 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.460 9.159 -2.090 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.367 9.411 -3.822 1.00 0.00 H new ATOM 1216 N ARG A 86 -12.559 7.231 -5.639 1.00 0.00 N ATOM 1217 CA ARG A 86 -13.204 7.100 -6.940 1.00 0.00 C ATOM 1218 C ARG A 86 -13.732 8.448 -7.423 1.00 0.00 C ATOM 1219 O ARG A 86 -14.882 8.559 -7.848 1.00 0.00 O ATOM 1220 CB ARG A 86 -14.349 6.088 -6.867 1.00 0.00 C ATOM 1221 CG ARG A 86 -14.646 5.408 -8.193 1.00 0.00 C ATOM 1222 CD ARG A 86 -15.643 4.272 -8.025 1.00 0.00 C ATOM 1223 NE ARG A 86 -15.078 3.155 -7.271 1.00 0.00 N ATOM 1224 CZ ARG A 86 -15.655 1.962 -7.184 1.00 0.00 C ATOM 1225 NH1 ARG A 86 -16.806 1.731 -7.800 1.00 0.00 N ATOM 1226 NH2 ARG A 86 -15.079 0.996 -6.479 1.00 0.00 N ATOM 0 H ARG A 86 -11.552 7.071 -5.650 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.459 6.744 -7.652 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -14.104 5.328 -6.125 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -15.249 6.595 -6.519 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -15.041 6.139 -8.898 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.721 5.021 -8.620 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -16.532 4.642 -7.514 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -15.963 3.922 -9.007 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.193 3.299 -6.785 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -17.251 2.471 -8.343 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -17.246 0.813 -7.731 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -14.193 1.170 -6.004 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -15.522 0.080 -6.412 1.00 0.00 H new