USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 519 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 45 ASN : amide:sc= 0.675 K(o=1.6,f=-0.45) USER MOD Set 1.2: A 70 LYS NZ :NH3+ -176:sc= 0.919 (180deg=0) USER MOD Set 2.1: A 1 SER N :NH3+ 160:sc= 1.6 (180deg=0.376) USER MOD Set 2.2: A 37 THR OG1 : rot 180:sc= 0.1 USER MOD Set 3.1: A 18 TYR OH : rot 23:sc= 0.989 USER MOD Set 3.2: A 28 GLN : amide:sc= -2.49! C(o=-1.5!,f=-5.4!) USER MOD Set 4.1: A 7 SER OG : rot -69:sc= -0.196! USER MOD Set 4.2: A 13 ASN : amide:sc= -10.5! C(o=-11!,f=-20!) USER MOD Single : A 1 SER OG : rot 91:sc= 0.315 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0138 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.34 F(o=-1.7,f=-0.34) USER MOD Single : A 19 SER OG : rot 180:sc= -0.905 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 119:sc= 0.595 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 79:sc= 0.222 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.7 K(o=-1.7,f=-2.5) USER MOD Single : A 40 THR OG1 : rot -20:sc= 1.14 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -2.87 K(o=-2.9,f=-8.7!) USER MOD Single : A 50 SER OG : rot -87:sc= 0.922 USER MOD Single : A 54 HIS : no HD1:sc= -2.67 K(o=-2.7,f=-5.1!) USER MOD Single : A 55 THR OG1 : rot -170:sc= -0.0118 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 34:sc= 0.461 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 71 SER OG : rot -85:sc= 0.432 USER MOD Single : A 75 GLN : amide:sc= 0.301 K(o=0.3,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.000 -5.405 -0.124 1.00 0.00 N ATOM 2 CA SER A 1 -9.159 -4.395 0.574 1.00 0.00 C ATOM 3 C SER A 1 -7.758 -4.997 0.771 1.00 0.00 C ATOM 4 O SER A 1 -7.518 -5.684 1.747 1.00 0.00 O ATOM 5 CB SER A 1 -9.805 -4.062 1.923 1.00 0.00 C ATOM 6 OG SER A 1 -8.986 -3.028 2.445 1.00 0.00 O ATOM 0 H1 SER A 1 -11.005 -5.183 0.026 1.00 0.00 H new ATOM 0 H2 SER A 1 -9.790 -5.388 -1.142 1.00 0.00 H new ATOM 0 H3 SER A 1 -9.794 -6.351 0.256 1.00 0.00 H new ATOM 0 HA SER A 1 -9.078 -3.476 -0.007 1.00 0.00 H new ATOM 0 HB2 SER A 1 -10.837 -3.732 1.802 1.00 0.00 H new ATOM 0 HB3 SER A 1 -9.823 -4.929 2.583 1.00 0.00 H new ATOM 0 HG SER A 1 -9.342 -2.158 2.169 1.00 0.00 H new ATOM 11 N ALA A 2 -6.869 -4.728 -0.157 1.00 0.00 N ATOM 12 CA ALA A 2 -5.482 -5.283 -0.032 1.00 0.00 C ATOM 13 C ALA A 2 -4.433 -4.578 -0.904 1.00 0.00 C ATOM 14 O ALA A 2 -4.571 -4.540 -2.111 1.00 0.00 O ATOM 15 CB ALA A 2 -5.509 -6.762 -0.412 1.00 0.00 C ATOM 0 H ALA A 2 -7.040 -4.156 -0.984 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.183 -5.123 1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.505 -7.178 -0.325 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.183 -7.297 0.257 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.858 -6.867 -1.439 1.00 0.00 H new ATOM 21 N PHE A 3 -3.423 -4.044 -0.258 1.00 0.00 N ATOM 22 CA PHE A 3 -2.320 -3.331 -0.967 1.00 0.00 C ATOM 23 C PHE A 3 -1.121 -4.272 -1.158 1.00 0.00 C ATOM 24 O PHE A 3 -0.195 -4.280 -0.369 1.00 0.00 O ATOM 25 CB PHE A 3 -1.942 -2.124 -0.118 1.00 0.00 C ATOM 26 CG PHE A 3 -0.916 -1.187 -0.796 1.00 0.00 C ATOM 27 CD1 PHE A 3 -1.303 -0.353 -1.830 1.00 0.00 C ATOM 28 CD2 PHE A 3 0.402 -1.149 -0.366 1.00 0.00 C ATOM 29 CE1 PHE A 3 -0.398 0.501 -2.420 1.00 0.00 C ATOM 30 CE2 PHE A 3 1.305 -0.291 -0.960 1.00 0.00 C ATOM 31 CZ PHE A 3 0.907 0.534 -1.986 1.00 0.00 C ATOM 0 H PHE A 3 -3.318 -4.075 0.756 1.00 0.00 H new ATOM 0 HA PHE A 3 -2.636 -3.006 -1.958 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -2.843 -1.556 0.113 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -1.533 -2.471 0.831 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -2.325 -0.372 -2.178 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.723 -1.794 0.438 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -0.714 1.147 -3.226 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.329 -0.267 -0.618 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.616 1.205 -2.449 1.00 0.00 H new ATOM 41 N THR A 4 -1.171 -5.052 -2.207 1.00 0.00 N ATOM 42 CA THR A 4 -0.053 -6.000 -2.494 1.00 0.00 C ATOM 43 C THR A 4 1.170 -5.154 -2.875 1.00 0.00 C ATOM 44 O THR A 4 1.015 -4.068 -3.395 1.00 0.00 O ATOM 45 CB THR A 4 -0.451 -6.923 -3.659 1.00 0.00 C ATOM 46 OG1 THR A 4 -1.697 -7.480 -3.265 1.00 0.00 O ATOM 47 CG2 THR A 4 0.484 -8.147 -3.726 1.00 0.00 C ATOM 0 H THR A 4 -1.939 -5.073 -2.878 1.00 0.00 H new ATOM 0 HA THR A 4 0.171 -6.624 -1.629 1.00 0.00 H new ATOM 0 HB THR A 4 -0.440 -6.368 -4.597 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.021 -8.085 -3.965 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.186 -8.787 -4.556 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.511 -7.813 -3.876 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.417 -8.707 -2.793 1.00 0.00 H new ATOM 55 N VAL A 5 2.342 -5.669 -2.602 1.00 0.00 N ATOM 56 CA VAL A 5 3.613 -4.937 -2.924 1.00 0.00 C ATOM 57 C VAL A 5 4.704 -5.982 -3.243 1.00 0.00 C ATOM 58 O VAL A 5 4.621 -7.107 -2.789 1.00 0.00 O ATOM 59 CB VAL A 5 4.063 -4.067 -1.696 1.00 0.00 C ATOM 60 CG1 VAL A 5 2.923 -3.136 -1.248 1.00 0.00 C ATOM 61 CG2 VAL A 5 4.444 -4.952 -0.487 1.00 0.00 C ATOM 0 H VAL A 5 2.478 -6.580 -2.163 1.00 0.00 H new ATOM 0 HA VAL A 5 3.455 -4.277 -3.777 1.00 0.00 H new ATOM 0 HB VAL A 5 4.929 -3.489 -2.019 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.253 -2.541 -0.396 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.650 -2.474 -2.070 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.058 -3.733 -0.960 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.751 -4.319 0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.584 -5.551 -0.189 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.267 -5.611 -0.764 1.00 0.00 H new ATOM 71 N TRP A 6 5.689 -5.586 -4.011 1.00 0.00 N ATOM 72 CA TRP A 6 6.805 -6.494 -4.390 1.00 0.00 C ATOM 73 C TRP A 6 8.090 -5.665 -4.180 1.00 0.00 C ATOM 74 O TRP A 6 8.106 -4.488 -4.484 1.00 0.00 O ATOM 75 CB TRP A 6 6.585 -6.900 -5.850 1.00 0.00 C ATOM 76 CG TRP A 6 5.270 -7.681 -6.011 1.00 0.00 C ATOM 77 CD1 TRP A 6 5.128 -9.036 -5.894 1.00 0.00 C ATOM 78 CD2 TRP A 6 4.049 -7.157 -6.305 1.00 0.00 C ATOM 79 NE1 TRP A 6 3.860 -9.259 -6.122 1.00 0.00 N ATOM 80 CE2 TRP A 6 3.127 -8.200 -6.379 1.00 0.00 C ATOM 81 CE3 TRP A 6 3.630 -5.849 -6.524 1.00 0.00 C ATOM 82 CZ2 TRP A 6 1.796 -7.937 -6.673 1.00 0.00 C ATOM 83 CZ3 TRP A 6 2.299 -5.585 -6.816 1.00 0.00 C ATOM 84 CH2 TRP A 6 1.383 -6.628 -6.892 1.00 0.00 C ATOM 0 H TRP A 6 5.763 -4.646 -4.399 1.00 0.00 H new ATOM 0 HA TRP A 6 6.869 -7.411 -3.805 1.00 0.00 H new ATOM 0 HB2 TRP A 6 6.564 -6.010 -6.480 1.00 0.00 H new ATOM 0 HB3 TRP A 6 7.420 -7.512 -6.191 1.00 0.00 H new ATOM 0 HD1 TRP A 6 5.894 -9.762 -5.664 1.00 0.00 H new ATOM 0 HE1 TRP A 6 3.464 -10.199 -6.102 1.00 0.00 H new ATOM 0 HE3 TRP A 6 4.341 -5.038 -6.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 1.084 -8.747 -6.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.975 -4.569 -6.984 1.00 0.00 H new ATOM 0 HH2 TRP A 6 0.348 -6.421 -7.122 1.00 0.00 H new ATOM 95 N SER A 7 9.125 -6.297 -3.673 1.00 0.00 N ATOM 96 CA SER A 7 10.431 -5.598 -3.411 1.00 0.00 C ATOM 97 C SER A 7 10.965 -4.758 -4.581 1.00 0.00 C ATOM 98 O SER A 7 11.430 -3.652 -4.383 1.00 0.00 O ATOM 99 CB SER A 7 11.488 -6.659 -3.018 1.00 0.00 C ATOM 100 OG SER A 7 11.639 -7.491 -4.159 1.00 0.00 O ATOM 0 H SER A 7 9.121 -7.286 -3.425 1.00 0.00 H new ATOM 0 HA SER A 7 10.240 -4.887 -2.607 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.434 -6.189 -2.748 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.161 -7.236 -2.153 1.00 0.00 H new ATOM 0 HG SER A 7 10.821 -8.014 -4.293 1.00 0.00 H new ATOM 106 N GLY A 8 10.879 -5.316 -5.759 1.00 0.00 N ATOM 107 CA GLY A 8 11.355 -4.624 -6.996 1.00 0.00 C ATOM 108 C GLY A 8 11.807 -5.657 -8.036 1.00 0.00 C ATOM 109 O GLY A 8 12.143 -6.766 -7.670 1.00 0.00 O ATOM 0 H GLY A 8 10.490 -6.245 -5.921 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.556 -4.007 -7.408 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.181 -3.955 -6.753 1.00 0.00 H new ATOM 113 N PRO A 9 11.817 -5.285 -9.297 1.00 0.00 N ATOM 114 CA PRO A 9 11.731 -3.880 -9.798 1.00 0.00 C ATOM 115 C PRO A 9 10.270 -3.409 -9.817 1.00 0.00 C ATOM 116 O PRO A 9 9.899 -2.472 -9.135 1.00 0.00 O ATOM 117 CB PRO A 9 12.368 -3.924 -11.190 1.00 0.00 C ATOM 118 CG PRO A 9 12.417 -5.413 -11.608 1.00 0.00 C ATOM 119 CD PRO A 9 11.916 -6.258 -10.418 1.00 0.00 C ATOM 0 HA PRO A 9 12.249 -3.162 -9.163 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.784 -3.341 -11.902 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.369 -3.494 -11.171 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.794 -5.583 -12.486 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.433 -5.700 -11.878 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.951 -6.717 -10.634 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.609 -7.067 -10.184 1.00 0.00 H new ATOM 127 N GLY A 10 9.495 -4.098 -10.613 1.00 0.00 N ATOM 128 CA GLY A 10 8.053 -3.782 -10.753 1.00 0.00 C ATOM 129 C GLY A 10 7.260 -4.563 -9.702 1.00 0.00 C ATOM 130 O GLY A 10 7.561 -4.524 -8.524 1.00 0.00 O ATOM 0 H GLY A 10 9.813 -4.882 -11.182 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.890 -2.712 -10.627 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.707 -4.042 -11.754 1.00 0.00 H new ATOM 134 N CYS A 11 6.266 -5.248 -10.197 1.00 0.00 N ATOM 135 CA CYS A 11 5.358 -6.083 -9.364 1.00 0.00 C ATOM 136 C CYS A 11 5.671 -7.569 -9.604 1.00 0.00 C ATOM 137 O CYS A 11 4.795 -8.375 -9.854 1.00 0.00 O ATOM 138 CB CYS A 11 3.942 -5.720 -9.780 1.00 0.00 C ATOM 139 SG CYS A 11 3.713 -5.457 -11.557 1.00 0.00 S ATOM 0 H CYS A 11 6.038 -5.262 -11.191 1.00 0.00 H new ATOM 0 HA CYS A 11 5.485 -5.903 -8.297 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.269 -6.513 -9.455 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.645 -4.814 -9.252 1.00 0.00 H new ATOM 144 N ASN A 12 6.938 -7.877 -9.512 1.00 0.00 N ATOM 145 CA ASN A 12 7.423 -9.278 -9.719 1.00 0.00 C ATOM 146 C ASN A 12 8.096 -9.708 -8.412 1.00 0.00 C ATOM 147 O ASN A 12 7.479 -9.572 -7.378 1.00 0.00 O ATOM 148 CB ASN A 12 8.400 -9.247 -10.919 1.00 0.00 C ATOM 149 CG ASN A 12 7.661 -8.686 -12.144 1.00 0.00 C ATOM 150 OD1 ASN A 12 7.364 -7.415 -12.178 1.00 0.00 O flip ATOM 151 ND2 ASN A 12 7.347 -9.396 -13.078 1.00 0.00 N flip ATOM 0 H ASN A 12 7.674 -7.204 -9.298 1.00 0.00 H new ATOM 0 HA ASN A 12 6.633 -9.993 -9.948 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.266 -8.628 -10.685 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.772 -10.250 -11.129 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.574 -10.390 -13.062 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.856 -8.998 -13.879 1.00 0.00 H new ATOM 158 N ASN A 13 9.310 -10.207 -8.472 1.00 0.00 N ATOM 159 CA ASN A 13 10.062 -10.652 -7.247 1.00 0.00 C ATOM 160 C ASN A 13 9.186 -11.307 -6.142 1.00 0.00 C ATOM 161 O ASN A 13 8.265 -12.036 -6.452 1.00 0.00 O ATOM 162 CB ASN A 13 10.809 -9.391 -6.736 1.00 0.00 C ATOM 163 CG ASN A 13 9.793 -8.322 -6.317 1.00 0.00 C ATOM 164 OD1 ASN A 13 9.309 -8.350 -5.207 1.00 0.00 O ATOM 165 ND2 ASN A 13 9.435 -7.379 -7.151 1.00 0.00 N ATOM 0 H ASN A 13 9.827 -10.328 -9.343 1.00 0.00 H new ATOM 0 HA ASN A 13 10.745 -11.459 -7.512 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.446 -9.652 -5.891 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.460 -9.001 -7.518 1.00 0.00 H new ATOM 0 HD21 ASN A 13 8.754 -6.676 -6.864 1.00 0.00 H new ATOM 0 HD22 ASN A 13 9.837 -7.347 -8.088 1.00 0.00 H new ATOM 172 N ARG A 14 9.495 -11.034 -4.894 1.00 0.00 N ATOM 173 CA ARG A 14 8.716 -11.609 -3.750 1.00 0.00 C ATOM 174 C ARG A 14 7.384 -10.861 -3.578 1.00 0.00 C ATOM 175 O ARG A 14 7.337 -9.653 -3.710 1.00 0.00 O ATOM 176 CB ARG A 14 9.568 -11.496 -2.458 1.00 0.00 C ATOM 177 CG ARG A 14 9.879 -10.014 -2.107 1.00 0.00 C ATOM 178 CD ARG A 14 10.805 -9.951 -0.879 1.00 0.00 C ATOM 179 NE ARG A 14 12.107 -10.599 -1.233 1.00 0.00 N ATOM 180 CZ ARG A 14 13.073 -10.718 -0.358 1.00 0.00 C ATOM 181 NH1 ARG A 14 12.926 -10.270 0.861 1.00 0.00 N ATOM 182 NH2 ARG A 14 14.179 -11.295 -0.740 1.00 0.00 N ATOM 0 H ARG A 14 10.267 -10.427 -4.617 1.00 0.00 H new ATOM 0 HA ARG A 14 8.491 -12.656 -3.951 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.037 -11.963 -1.629 1.00 0.00 H new ATOM 0 HB3 ARG A 14 10.501 -12.044 -2.588 1.00 0.00 H new ATOM 0 HG2 ARG A 14 10.352 -9.521 -2.956 1.00 0.00 H new ATOM 0 HG3 ARG A 14 8.953 -9.477 -1.903 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.966 -8.916 -0.579 1.00 0.00 H new ATOM 0 HD3 ARG A 14 10.346 -10.461 -0.032 1.00 0.00 H new ATOM 0 HE ARG A 14 12.245 -10.956 -2.178 1.00 0.00 H new ATOM 0 HH11 ARG A 14 12.052 -9.823 1.138 1.00 0.00 H new ATOM 0 HH12 ARG A 14 13.685 -10.368 1.535 1.00 0.00 H new ATOM 0 HH21 ARG A 14 14.272 -11.638 -1.696 1.00 0.00 H new ATOM 0 HH22 ARG A 14 14.951 -11.403 -0.082 1.00 0.00 H new ATOM 196 N ALA A 15 6.345 -11.604 -3.287 1.00 0.00 N ATOM 197 CA ALA A 15 4.989 -10.998 -3.093 1.00 0.00 C ATOM 198 C ALA A 15 4.650 -10.898 -1.603 1.00 0.00 C ATOM 199 O ALA A 15 4.799 -11.850 -0.861 1.00 0.00 O ATOM 200 CB ALA A 15 3.947 -11.871 -3.805 1.00 0.00 C ATOM 0 H ALA A 15 6.378 -12.617 -3.174 1.00 0.00 H new ATOM 0 HA ALA A 15 4.984 -9.992 -3.513 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.956 -11.438 -3.670 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.179 -11.920 -4.869 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.965 -12.876 -3.383 1.00 0.00 H new ATOM 206 N GLU A 16 4.203 -9.727 -1.227 1.00 0.00 N ATOM 207 CA GLU A 16 3.819 -9.436 0.190 1.00 0.00 C ATOM 208 C GLU A 16 2.508 -8.647 0.114 1.00 0.00 C ATOM 209 O GLU A 16 2.465 -7.569 -0.445 1.00 0.00 O ATOM 210 CB GLU A 16 4.950 -8.611 0.843 1.00 0.00 C ATOM 211 CG GLU A 16 6.220 -9.499 0.914 1.00 0.00 C ATOM 212 CD GLU A 16 7.415 -8.709 1.479 1.00 0.00 C ATOM 213 OE1 GLU A 16 7.288 -8.242 2.600 1.00 0.00 O ATOM 214 OE2 GLU A 16 8.394 -8.618 0.755 1.00 0.00 O ATOM 0 H GLU A 16 4.085 -8.937 -1.861 1.00 0.00 H new ATOM 0 HA GLU A 16 3.679 -10.334 0.792 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.148 -7.711 0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.656 -8.287 1.842 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.025 -10.369 1.541 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.464 -9.872 -0.081 1.00 0.00 H new ATOM 221 N ARG A 17 1.478 -9.217 0.684 1.00 0.00 N ATOM 222 CA ARG A 17 0.131 -8.564 0.678 1.00 0.00 C ATOM 223 C ARG A 17 -0.185 -7.808 1.983 1.00 0.00 C ATOM 224 O ARG A 17 -0.128 -8.379 3.055 1.00 0.00 O ATOM 225 CB ARG A 17 -0.902 -9.677 0.419 1.00 0.00 C ATOM 226 CG ARG A 17 -2.228 -9.072 -0.066 1.00 0.00 C ATOM 227 CD ARG A 17 -3.235 -10.213 -0.297 1.00 0.00 C ATOM 228 NE ARG A 17 -4.478 -9.624 -0.878 1.00 0.00 N ATOM 229 CZ ARG A 17 -5.611 -10.281 -0.910 1.00 0.00 C ATOM 230 NH1 ARG A 17 -5.695 -11.495 -0.431 1.00 0.00 N ATOM 231 NH2 ARG A 17 -6.647 -9.686 -1.432 1.00 0.00 N ATOM 0 H ARG A 17 1.512 -10.119 1.160 1.00 0.00 H new ATOM 0 HA ARG A 17 0.103 -7.802 -0.101 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -0.518 -10.373 -0.327 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.068 -10.248 1.332 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.615 -8.370 0.672 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.073 -8.512 -0.988 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.816 -10.960 -0.972 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.457 -10.721 0.642 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.444 -8.680 -1.262 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.872 -11.942 -0.026 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.583 -11.995 -0.462 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.560 -8.738 -1.799 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.545 -10.168 -1.473 1.00 0.00 H new ATOM 245 N TYR A 18 -0.508 -6.543 1.841 1.00 0.00 N ATOM 246 CA TYR A 18 -0.844 -5.682 3.020 1.00 0.00 C ATOM 247 C TYR A 18 -2.374 -5.518 3.061 1.00 0.00 C ATOM 248 O TYR A 18 -2.908 -4.528 2.603 1.00 0.00 O ATOM 249 CB TYR A 18 -0.166 -4.285 2.873 1.00 0.00 C ATOM 250 CG TYR A 18 1.363 -4.312 3.086 1.00 0.00 C ATOM 251 CD1 TYR A 18 2.200 -5.221 2.458 1.00 0.00 C ATOM 252 CD2 TYR A 18 1.924 -3.385 3.944 1.00 0.00 C ATOM 253 CE1 TYR A 18 3.562 -5.196 2.691 1.00 0.00 C ATOM 254 CE2 TYR A 18 3.281 -3.361 4.175 1.00 0.00 C ATOM 255 CZ TYR A 18 4.113 -4.266 3.550 1.00 0.00 C ATOM 256 OH TYR A 18 5.473 -4.241 3.784 1.00 0.00 O ATOM 0 H TYR A 18 -0.553 -6.064 0.942 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.483 -6.142 3.940 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.379 -3.890 1.879 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.612 -3.597 3.591 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.785 -5.954 1.782 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.288 -2.668 4.441 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.202 -5.911 2.196 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.697 -2.628 4.851 1.00 0.00 H new ATOM 0 HH TYR A 18 5.942 -4.659 3.032 1.00 0.00 H new ATOM 266 N SER A 19 -3.033 -6.506 3.614 1.00 0.00 N ATOM 267 CA SER A 19 -4.532 -6.481 3.720 1.00 0.00 C ATOM 268 C SER A 19 -4.971 -6.208 5.165 1.00 0.00 C ATOM 269 O SER A 19 -6.089 -5.794 5.406 1.00 0.00 O ATOM 270 CB SER A 19 -5.101 -7.835 3.275 1.00 0.00 C ATOM 271 OG SER A 19 -4.539 -8.064 1.993 1.00 0.00 O ATOM 0 H SER A 19 -2.594 -7.341 4.002 1.00 0.00 H new ATOM 0 HA SER A 19 -4.908 -5.684 3.078 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.828 -8.627 3.973 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.190 -7.810 3.230 1.00 0.00 H new ATOM 0 HG SER A 19 -4.860 -8.921 1.643 1.00 0.00 H new ATOM 277 N LYS A 20 -4.063 -6.455 6.074 1.00 0.00 N ATOM 278 CA LYS A 20 -4.305 -6.254 7.537 1.00 0.00 C ATOM 279 C LYS A 20 -4.888 -4.863 7.864 1.00 0.00 C ATOM 280 O LYS A 20 -4.483 -3.866 7.298 1.00 0.00 O ATOM 281 CB LYS A 20 -2.952 -6.474 8.249 1.00 0.00 C ATOM 282 CG LYS A 20 -3.101 -6.370 9.786 1.00 0.00 C ATOM 283 CD LYS A 20 -1.733 -6.597 10.478 1.00 0.00 C ATOM 284 CE LYS A 20 -1.261 -8.056 10.317 1.00 0.00 C ATOM 285 NZ LYS A 20 0.046 -8.242 11.006 1.00 0.00 N ATOM 0 H LYS A 20 -3.129 -6.801 5.854 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.056 -6.964 7.884 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.555 -7.455 7.986 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.231 -5.734 7.901 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.493 -5.389 10.054 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.821 -7.108 10.139 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.990 -5.923 10.051 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.814 -6.353 11.537 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.003 -8.736 10.735 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.163 -8.302 9.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.360 -9.227 10.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.753 -7.604 10.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.061 -8.025 12.017 1.00 0.00 H new ATOM 299 N CYS A 21 -5.829 -4.861 8.780 1.00 0.00 N ATOM 300 CA CYS A 21 -6.506 -3.596 9.221 1.00 0.00 C ATOM 301 C CYS A 21 -5.504 -2.633 9.876 1.00 0.00 C ATOM 302 O CYS A 21 -4.425 -3.035 10.269 1.00 0.00 O ATOM 303 CB CYS A 21 -7.632 -3.976 10.209 1.00 0.00 C ATOM 304 SG CYS A 21 -7.686 -3.200 11.843 1.00 0.00 S ATOM 0 H CYS A 21 -6.164 -5.702 9.251 1.00 0.00 H new ATOM 0 HA CYS A 21 -6.925 -3.079 8.358 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.582 -3.767 9.717 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.582 -5.054 10.361 1.00 0.00 H new ATOM 309 N GLY A 22 -5.895 -1.386 9.975 1.00 0.00 N ATOM 310 CA GLY A 22 -5.003 -0.353 10.591 1.00 0.00 C ATOM 311 C GLY A 22 -3.900 -0.045 9.573 1.00 0.00 C ATOM 312 O GLY A 22 -4.143 -0.170 8.388 1.00 0.00 O ATOM 0 H GLY A 22 -6.798 -1.037 9.654 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.567 0.548 10.832 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.575 -0.721 11.524 1.00 0.00 H new ATOM 316 N CYS A 23 -2.733 0.344 10.034 1.00 0.00 N ATOM 317 CA CYS A 23 -1.635 0.650 9.065 1.00 0.00 C ATOM 318 C CYS A 23 -0.319 -0.043 9.397 1.00 0.00 C ATOM 319 O CYS A 23 -0.040 -0.373 10.533 1.00 0.00 O ATOM 320 CB CYS A 23 -1.372 2.167 9.006 1.00 0.00 C ATOM 321 SG CYS A 23 -0.649 3.038 10.417 1.00 0.00 S ATOM 0 H CYS A 23 -2.498 0.461 11.020 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.984 0.272 8.104 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.720 2.346 8.151 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.325 2.649 8.786 1.00 0.00 H new ATOM 326 N SER A 24 0.445 -0.233 8.349 1.00 0.00 N ATOM 327 CA SER A 24 1.781 -0.896 8.454 1.00 0.00 C ATOM 328 C SER A 24 2.752 -0.227 7.474 1.00 0.00 C ATOM 329 O SER A 24 2.338 0.289 6.453 1.00 0.00 O ATOM 330 CB SER A 24 1.622 -2.394 8.123 1.00 0.00 C ATOM 331 OG SER A 24 1.044 -2.429 6.825 1.00 0.00 O ATOM 0 H SER A 24 0.191 0.051 7.403 1.00 0.00 H new ATOM 0 HA SER A 24 2.178 -0.796 9.464 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.584 -2.905 8.139 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.984 -2.893 8.852 1.00 0.00 H new ATOM 0 HG SER A 24 1.651 -2.890 6.209 1.00 0.00 H new ATOM 337 N ALA A 25 4.014 -0.262 7.817 1.00 0.00 N ATOM 338 CA ALA A 25 5.058 0.359 6.947 1.00 0.00 C ATOM 339 C ALA A 25 5.429 -0.539 5.761 1.00 0.00 C ATOM 340 O ALA A 25 5.811 -1.679 5.947 1.00 0.00 O ATOM 341 CB ALA A 25 6.300 0.639 7.802 1.00 0.00 C ATOM 0 H ALA A 25 4.369 -0.697 8.669 1.00 0.00 H new ATOM 0 HA ALA A 25 4.659 1.285 6.533 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.073 1.093 7.182 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.038 1.320 8.612 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.672 -0.296 8.220 1.00 0.00 H new ATOM 347 N ILE A 26 5.308 0.009 4.574 1.00 0.00 N ATOM 348 CA ILE A 26 5.646 -0.780 3.348 1.00 0.00 C ATOM 349 C ILE A 26 7.164 -0.754 3.165 1.00 0.00 C ATOM 350 O ILE A 26 7.754 0.294 2.984 1.00 0.00 O ATOM 351 CB ILE A 26 4.966 -0.168 2.083 1.00 0.00 C ATOM 352 CG1 ILE A 26 3.465 0.150 2.349 1.00 0.00 C ATOM 353 CG2 ILE A 26 5.082 -1.196 0.934 1.00 0.00 C ATOM 354 CD1 ILE A 26 3.304 1.659 2.603 1.00 0.00 C ATOM 0 H ILE A 26 4.991 0.963 4.403 1.00 0.00 H new ATOM 0 HA ILE A 26 5.285 -1.801 3.469 1.00 0.00 H new ATOM 0 HB ILE A 26 5.463 0.767 1.822 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.860 -0.154 1.495 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.108 -0.416 3.210 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.614 -0.793 0.036 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.134 -1.401 0.734 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.580 -2.120 1.221 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.255 1.887 2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.898 1.947 3.470 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.646 2.214 1.729 1.00 0.00 H new ATOM 366 N HIS A 27 7.742 -1.925 3.220 1.00 0.00 N ATOM 367 CA HIS A 27 9.223 -2.066 3.061 1.00 0.00 C ATOM 368 C HIS A 27 9.581 -2.343 1.596 1.00 0.00 C ATOM 369 O HIS A 27 10.675 -2.037 1.160 1.00 0.00 O ATOM 370 CB HIS A 27 9.677 -3.212 3.977 1.00 0.00 C ATOM 371 CG HIS A 27 9.190 -2.902 5.399 1.00 0.00 C ATOM 372 ND1 HIS A 27 8.501 -3.707 6.138 1.00 0.00 N ATOM 373 CD2 HIS A 27 9.347 -1.770 6.183 1.00 0.00 C ATOM 374 CE1 HIS A 27 8.245 -3.144 7.275 1.00 0.00 C ATOM 375 NE2 HIS A 27 8.753 -1.938 7.347 1.00 0.00 N ATOM 0 H HIS A 27 7.245 -2.803 3.370 1.00 0.00 H new ATOM 0 HA HIS A 27 9.733 -1.144 3.341 1.00 0.00 H new ATOM 0 HB2 HIS A 27 9.267 -4.161 3.632 1.00 0.00 H new ATOM 0 HB3 HIS A 27 10.763 -3.308 3.958 1.00 0.00 H new ATOM 0 HD2 HIS A 27 9.879 -0.879 5.883 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.681 -3.612 8.069 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.701 -1.281 8.125 1.00 0.00 H new ATOM 383 N GLN A 28 8.642 -2.913 0.882 1.00 0.00 N ATOM 384 CA GLN A 28 8.854 -3.236 -0.563 1.00 0.00 C ATOM 385 C GLN A 28 8.674 -1.946 -1.366 1.00 0.00 C ATOM 386 O GLN A 28 7.561 -1.517 -1.600 1.00 0.00 O ATOM 387 CB GLN A 28 7.820 -4.279 -1.013 1.00 0.00 C ATOM 388 CG GLN A 28 8.120 -5.656 -0.399 1.00 0.00 C ATOM 389 CD GLN A 28 7.902 -5.627 1.118 1.00 0.00 C ATOM 390 OE1 GLN A 28 6.812 -5.397 1.602 1.00 0.00 O ATOM 391 NE2 GLN A 28 8.915 -5.860 1.905 1.00 0.00 N ATOM 0 H GLN A 28 7.724 -3.172 1.245 1.00 0.00 H new ATOM 0 HA GLN A 28 9.853 -3.643 -0.722 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.821 -3.956 -0.719 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.824 -4.354 -2.100 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.475 -6.410 -0.850 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.148 -5.943 -0.619 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.835 -6.054 1.509 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.788 -5.848 2.917 1.00 0.00 H new ATOM 400 N LYS A 29 9.781 -1.373 -1.763 1.00 0.00 N ATOM 401 CA LYS A 29 9.755 -0.100 -2.556 1.00 0.00 C ATOM 402 C LYS A 29 9.703 -0.382 -4.076 1.00 0.00 C ATOM 403 O LYS A 29 9.916 0.504 -4.881 1.00 0.00 O ATOM 404 CB LYS A 29 11.020 0.706 -2.168 1.00 0.00 C ATOM 405 CG LYS A 29 10.887 2.190 -2.603 1.00 0.00 C ATOM 406 CD LYS A 29 12.122 2.972 -2.110 1.00 0.00 C ATOM 407 CE LYS A 29 11.945 4.463 -2.437 1.00 0.00 C ATOM 408 NZ LYS A 29 13.130 5.230 -1.965 1.00 0.00 N ATOM 0 H LYS A 29 10.715 -1.735 -1.571 1.00 0.00 H new ATOM 0 HA LYS A 29 8.857 0.473 -2.327 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.174 0.651 -1.090 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.897 0.262 -2.639 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.807 2.258 -3.688 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.977 2.624 -2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.247 2.836 -1.036 1.00 0.00 H new ATOM 0 HD3 LYS A 29 13.024 2.588 -2.587 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.819 4.596 -3.512 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.041 4.844 -1.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 13.003 6.238 -2.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 13.231 5.115 -0.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 13.985 4.875 -2.439 1.00 0.00 H new ATOM 422 N GLY A 30 9.416 -1.610 -4.431 1.00 0.00 N ATOM 423 CA GLY A 30 9.343 -1.995 -5.875 1.00 0.00 C ATOM 424 C GLY A 30 8.041 -1.568 -6.554 1.00 0.00 C ATOM 425 O GLY A 30 7.953 -0.485 -7.097 1.00 0.00 O ATOM 0 H GLY A 30 9.227 -2.369 -3.776 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.184 -1.548 -6.405 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.451 -3.076 -5.961 1.00 0.00 H new ATOM 429 N GLY A 31 7.073 -2.449 -6.499 1.00 0.00 N ATOM 430 CA GLY A 31 5.736 -2.187 -7.116 1.00 0.00 C ATOM 431 C GLY A 31 4.616 -2.487 -6.128 1.00 0.00 C ATOM 432 O GLY A 31 4.872 -3.044 -5.081 1.00 0.00 O ATOM 0 H GLY A 31 7.155 -3.358 -6.043 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.676 -1.147 -7.436 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.615 -2.802 -8.008 1.00 0.00 H new ATOM 436 N TYR A 32 3.408 -2.104 -6.475 1.00 0.00 N ATOM 437 CA TYR A 32 2.252 -2.363 -5.557 1.00 0.00 C ATOM 438 C TYR A 32 0.869 -2.278 -6.224 1.00 0.00 C ATOM 439 O TYR A 32 0.604 -1.380 -6.995 1.00 0.00 O ATOM 440 CB TYR A 32 2.331 -1.359 -4.389 1.00 0.00 C ATOM 441 CG TYR A 32 2.446 0.058 -4.950 1.00 0.00 C ATOM 442 CD1 TYR A 32 1.318 0.793 -5.240 1.00 0.00 C ATOM 443 CD2 TYR A 32 3.688 0.611 -5.179 1.00 0.00 C ATOM 444 CE1 TYR A 32 1.428 2.060 -5.752 1.00 0.00 C ATOM 445 CE2 TYR A 32 3.798 1.878 -5.691 1.00 0.00 C ATOM 446 CZ TYR A 32 2.670 2.618 -5.984 1.00 0.00 C ATOM 447 OH TYR A 32 2.786 3.894 -6.498 1.00 0.00 O ATOM 0 H TYR A 32 3.174 -1.628 -7.346 1.00 0.00 H new ATOM 0 HA TYR A 32 2.342 -3.395 -5.218 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.444 -1.443 -3.761 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.191 -1.584 -3.758 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.341 0.369 -5.063 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.579 0.043 -4.954 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.536 2.626 -5.976 1.00 0.00 H new ATOM 0 HE2 TYR A 32 4.776 2.301 -5.867 1.00 0.00 H new ATOM 0 HH TYR A 32 2.642 4.549 -5.783 1.00 0.00 H new ATOM 457 N ASP A 33 0.020 -3.222 -5.904 1.00 0.00 N ATOM 458 CA ASP A 33 -1.363 -3.259 -6.475 1.00 0.00 C ATOM 459 C ASP A 33 -2.385 -3.186 -5.339 1.00 0.00 C ATOM 460 O ASP A 33 -2.247 -3.922 -4.385 1.00 0.00 O ATOM 461 CB ASP A 33 -1.588 -4.576 -7.244 1.00 0.00 C ATOM 462 CG ASP A 33 -3.079 -4.807 -7.618 1.00 0.00 C ATOM 463 OD1 ASP A 33 -3.799 -3.840 -7.818 1.00 0.00 O ATOM 464 OD2 ASP A 33 -3.425 -5.975 -7.683 1.00 0.00 O ATOM 0 H ASP A 33 0.231 -3.983 -5.259 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.482 -2.413 -7.152 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.987 -4.568 -8.153 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.237 -5.411 -6.637 1.00 0.00 H new ATOM 469 N PHE A 34 -3.370 -2.328 -5.453 1.00 0.00 N ATOM 470 CA PHE A 34 -4.386 -2.252 -4.355 1.00 0.00 C ATOM 471 C PHE A 34 -5.614 -3.015 -4.844 1.00 0.00 C ATOM 472 O PHE A 34 -5.769 -3.233 -6.031 1.00 0.00 O ATOM 473 CB PHE A 34 -4.829 -0.795 -4.039 1.00 0.00 C ATOM 474 CG PHE A 34 -5.729 -0.882 -2.774 1.00 0.00 C ATOM 475 CD1 PHE A 34 -5.161 -1.239 -1.566 1.00 0.00 C ATOM 476 CD2 PHE A 34 -7.091 -0.634 -2.811 1.00 0.00 C ATOM 477 CE1 PHE A 34 -5.919 -1.351 -0.421 1.00 0.00 C ATOM 478 CE2 PHE A 34 -7.853 -0.744 -1.662 1.00 0.00 C ATOM 479 CZ PHE A 34 -7.272 -1.102 -0.468 1.00 0.00 C ATOM 0 H PHE A 34 -3.514 -1.692 -6.237 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.947 -2.664 -3.447 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.965 -0.155 -3.859 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.376 -0.364 -4.877 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.100 -1.434 -1.518 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.561 -0.353 -3.742 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.453 -1.634 0.511 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.914 -0.547 -1.703 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.872 -1.187 0.426 1.00 0.00 H new ATOM 489 N SER A 35 -6.451 -3.405 -3.919 1.00 0.00 N ATOM 490 CA SER A 35 -7.682 -4.153 -4.297 1.00 0.00 C ATOM 491 C SER A 35 -8.796 -3.789 -3.326 1.00 0.00 C ATOM 492 O SER A 35 -8.965 -4.418 -2.304 1.00 0.00 O ATOM 493 CB SER A 35 -7.365 -5.667 -4.253 1.00 0.00 C ATOM 494 OG SER A 35 -8.583 -6.297 -4.626 1.00 0.00 O ATOM 0 H SER A 35 -6.334 -3.237 -2.920 1.00 0.00 H new ATOM 0 HA SER A 35 -8.010 -3.894 -5.304 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.559 -5.924 -4.940 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.046 -5.977 -3.258 1.00 0.00 H new ATOM 0 HG SER A 35 -8.462 -7.270 -4.623 1.00 0.00 H new ATOM 500 N TYR A 36 -9.518 -2.764 -3.697 1.00 0.00 N ATOM 501 CA TYR A 36 -10.659 -2.268 -2.872 1.00 0.00 C ATOM 502 C TYR A 36 -11.825 -3.252 -3.040 1.00 0.00 C ATOM 503 O TYR A 36 -12.085 -3.682 -4.147 1.00 0.00 O ATOM 504 CB TYR A 36 -11.051 -0.875 -3.380 1.00 0.00 C ATOM 505 CG TYR A 36 -12.359 -0.431 -2.709 1.00 0.00 C ATOM 506 CD1 TYR A 36 -12.406 -0.204 -1.351 1.00 0.00 C ATOM 507 CD2 TYR A 36 -13.508 -0.260 -3.454 1.00 0.00 C ATOM 508 CE1 TYR A 36 -13.579 0.184 -0.743 1.00 0.00 C ATOM 509 CE2 TYR A 36 -14.682 0.129 -2.850 1.00 0.00 C ATOM 510 CZ TYR A 36 -14.726 0.355 -1.489 1.00 0.00 C ATOM 511 OH TYR A 36 -15.902 0.743 -0.880 1.00 0.00 O ATOM 0 H TYR A 36 -9.361 -2.238 -4.557 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.393 -2.199 -1.817 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -10.257 -0.160 -3.161 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -11.174 -0.893 -4.463 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -11.513 -0.332 -0.757 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -13.486 -0.433 -4.520 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -13.601 0.355 0.323 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -15.574 0.258 -3.445 1.00 0.00 H new ATOM 0 HH TYR A 36 -16.610 0.817 -1.553 1.00 0.00 H new ATOM 521 N THR A 37 -12.495 -3.579 -1.958 1.00 0.00 N ATOM 522 CA THR A 37 -13.644 -4.539 -2.064 1.00 0.00 C ATOM 523 C THR A 37 -14.693 -4.209 -1.001 1.00 0.00 C ATOM 524 O THR A 37 -15.877 -4.175 -1.279 1.00 0.00 O ATOM 525 CB THR A 37 -13.146 -6.007 -1.858 1.00 0.00 C ATOM 526 OG1 THR A 37 -12.575 -6.041 -0.557 1.00 0.00 O ATOM 527 CG2 THR A 37 -11.979 -6.378 -2.799 1.00 0.00 C ATOM 0 H THR A 37 -12.301 -3.229 -1.020 1.00 0.00 H new ATOM 0 HA THR A 37 -14.084 -4.447 -3.057 1.00 0.00 H new ATOM 0 HB THR A 37 -13.985 -6.681 -2.032 1.00 0.00 H new ATOM 0 HG1 THR A 37 -12.244 -6.944 -0.369 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.674 -7.408 -2.612 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.301 -6.277 -3.835 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.137 -5.711 -2.615 1.00 0.00 H new ATOM 535 N GLY A 38 -14.200 -3.975 0.185 1.00 0.00 N ATOM 536 CA GLY A 38 -15.069 -3.637 1.345 1.00 0.00 C ATOM 537 C GLY A 38 -14.462 -2.444 2.074 1.00 0.00 C ATOM 538 O GLY A 38 -15.173 -1.541 2.472 1.00 0.00 O ATOM 0 H GLY A 38 -13.204 -4.005 0.402 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -16.078 -3.400 1.006 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.151 -4.490 2.018 1.00 0.00 H new ATOM 542 N GLN A 39 -13.159 -2.484 2.223 1.00 0.00 N ATOM 543 CA GLN A 39 -12.434 -1.380 2.919 1.00 0.00 C ATOM 544 C GLN A 39 -11.459 -0.622 2.016 1.00 0.00 C ATOM 545 O GLN A 39 -10.694 -1.201 1.271 1.00 0.00 O ATOM 546 CB GLN A 39 -11.652 -1.954 4.135 1.00 0.00 C ATOM 547 CG GLN A 39 -12.595 -2.395 5.283 1.00 0.00 C ATOM 548 CD GLN A 39 -13.425 -3.607 4.883 1.00 0.00 C ATOM 549 OE1 GLN A 39 -14.633 -3.559 4.763 1.00 0.00 O ATOM 550 NE2 GLN A 39 -12.787 -4.720 4.675 1.00 0.00 N ATOM 0 H GLN A 39 -12.564 -3.242 1.888 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.195 -0.667 3.238 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.054 -2.806 3.811 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.958 -1.200 4.507 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.006 -2.631 6.169 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -13.256 -1.571 5.550 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.773 -4.753 4.777 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.301 -5.560 4.409 1.00 0.00 H new ATOM 559 N THR A 40 -11.542 0.680 2.138 1.00 0.00 N ATOM 560 CA THR A 40 -10.678 1.613 1.351 1.00 0.00 C ATOM 561 C THR A 40 -9.321 1.702 2.061 1.00 0.00 C ATOM 562 O THR A 40 -9.173 1.238 3.177 1.00 0.00 O ATOM 563 CB THR A 40 -11.367 2.997 1.304 1.00 0.00 C ATOM 564 OG1 THR A 40 -12.649 2.739 0.747 1.00 0.00 O ATOM 565 CG2 THR A 40 -10.712 3.960 0.293 1.00 0.00 C ATOM 0 H THR A 40 -12.192 1.148 2.769 1.00 0.00 H new ATOM 0 HA THR A 40 -10.530 1.263 0.330 1.00 0.00 H new ATOM 0 HB THR A 40 -11.336 3.439 2.300 1.00 0.00 H new ATOM 0 HG1 THR A 40 -12.631 1.886 0.265 1.00 0.00 H new ATOM 0 HG21 THR A 40 -11.239 4.914 0.305 1.00 0.00 H new ATOM 0 HG22 THR A 40 -9.668 4.118 0.565 1.00 0.00 H new ATOM 0 HG23 THR A 40 -10.765 3.529 -0.707 1.00 0.00 H new ATOM 573 N ALA A 41 -8.367 2.297 1.390 1.00 0.00 N ATOM 574 CA ALA A 41 -7.003 2.444 1.978 1.00 0.00 C ATOM 575 C ALA A 41 -6.369 3.782 1.604 1.00 0.00 C ATOM 576 O ALA A 41 -6.384 4.186 0.459 1.00 0.00 O ATOM 577 CB ALA A 41 -6.120 1.305 1.474 1.00 0.00 C ATOM 0 H ALA A 41 -8.476 2.689 0.455 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.092 2.409 3.064 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.121 1.404 1.898 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.550 0.350 1.777 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.058 1.347 0.387 1.00 0.00 H new ATOM 583 N ALA A 42 -5.830 4.415 2.613 1.00 0.00 N ATOM 584 CA ALA A 42 -5.154 5.738 2.462 1.00 0.00 C ATOM 585 C ALA A 42 -3.654 5.427 2.500 1.00 0.00 C ATOM 586 O ALA A 42 -3.255 4.519 3.203 1.00 0.00 O ATOM 587 CB ALA A 42 -5.589 6.619 3.629 1.00 0.00 C ATOM 0 H ALA A 42 -5.831 4.056 3.568 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.403 6.266 1.542 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.110 7.595 3.546 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.672 6.743 3.608 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.296 6.150 4.568 1.00 0.00 H new ATOM 593 N LEU A 43 -2.862 6.168 1.766 1.00 0.00 N ATOM 594 CA LEU A 43 -1.393 5.904 1.756 1.00 0.00 C ATOM 595 C LEU A 43 -0.647 7.027 2.486 1.00 0.00 C ATOM 596 O LEU A 43 -0.387 8.079 1.935 1.00 0.00 O ATOM 597 CB LEU A 43 -0.921 5.808 0.285 1.00 0.00 C ATOM 598 CG LEU A 43 0.286 4.852 0.099 1.00 0.00 C ATOM 599 CD1 LEU A 43 1.257 4.885 1.295 1.00 0.00 C ATOM 600 CD2 LEU A 43 -0.222 3.412 -0.006 1.00 0.00 C ATOM 0 H LEU A 43 -3.169 6.941 1.176 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.180 4.968 2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.749 5.464 -0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.648 6.802 -0.069 1.00 0.00 H new ATOM 0 HG LEU A 43 0.807 5.181 -0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.083 4.198 1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.647 5.895 1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.729 4.585 2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.623 2.737 -0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.759 3.148 0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.892 3.324 -0.861 1.00 0.00 H new ATOM 612 N TYR A 44 -0.323 6.755 3.719 1.00 0.00 N ATOM 613 CA TYR A 44 0.405 7.747 4.565 1.00 0.00 C ATOM 614 C TYR A 44 1.900 7.874 4.224 1.00 0.00 C ATOM 615 O TYR A 44 2.619 6.898 4.120 1.00 0.00 O ATOM 616 CB TYR A 44 0.229 7.323 6.025 1.00 0.00 C ATOM 617 CG TYR A 44 -1.171 7.724 6.530 1.00 0.00 C ATOM 618 CD1 TYR A 44 -2.301 7.033 6.129 1.00 0.00 C ATOM 619 CD2 TYR A 44 -1.320 8.789 7.403 1.00 0.00 C ATOM 620 CE1 TYR A 44 -3.546 7.403 6.595 1.00 0.00 C ATOM 621 CE2 TYR A 44 -2.564 9.153 7.863 1.00 0.00 C ATOM 622 CZ TYR A 44 -3.685 8.463 7.463 1.00 0.00 C ATOM 623 OH TYR A 44 -4.933 8.829 7.924 1.00 0.00 O ATOM 0 H TYR A 44 -0.535 5.873 4.186 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.019 8.733 4.375 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.362 6.245 6.117 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.995 7.792 6.643 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.208 6.200 5.448 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.449 9.340 7.726 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.421 6.856 6.276 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.662 9.986 8.543 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.847 9.596 8.528 1.00 0.00 H new ATOM 633 N ASN A 45 2.314 9.106 4.059 1.00 0.00 N ATOM 634 CA ASN A 45 3.739 9.410 3.727 1.00 0.00 C ATOM 635 C ASN A 45 4.496 9.710 5.042 1.00 0.00 C ATOM 636 O ASN A 45 5.469 10.438 5.063 1.00 0.00 O ATOM 637 CB ASN A 45 3.746 10.618 2.780 1.00 0.00 C ATOM 638 CG ASN A 45 5.070 10.699 2.008 1.00 0.00 C ATOM 639 OD1 ASN A 45 6.105 11.055 2.534 1.00 0.00 O ATOM 640 ND2 ASN A 45 5.072 10.373 0.744 1.00 0.00 N ATOM 0 H ASN A 45 1.714 9.927 4.142 1.00 0.00 H new ATOM 0 HA ASN A 45 4.234 8.572 3.236 1.00 0.00 H new ATOM 0 HB2 ASN A 45 2.915 10.540 2.079 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.596 11.534 3.351 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.938 10.418 0.207 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.208 10.073 0.293 1.00 0.00 H new ATOM 647 N GLN A 46 4.010 9.126 6.110 1.00 0.00 N ATOM 648 CA GLN A 46 4.625 9.303 7.461 1.00 0.00 C ATOM 649 C GLN A 46 4.440 8.009 8.263 1.00 0.00 C ATOM 650 O GLN A 46 3.439 7.328 8.135 1.00 0.00 O ATOM 651 CB GLN A 46 3.961 10.481 8.227 1.00 0.00 C ATOM 652 CG GLN A 46 2.422 10.383 8.295 1.00 0.00 C ATOM 653 CD GLN A 46 1.798 10.912 6.995 1.00 0.00 C ATOM 654 OE1 GLN A 46 1.193 10.187 6.236 1.00 0.00 O ATOM 655 NE2 GLN A 46 1.923 12.177 6.703 1.00 0.00 N ATOM 0 H GLN A 46 3.191 8.518 6.100 1.00 0.00 H new ATOM 0 HA GLN A 46 5.684 9.528 7.337 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.360 10.515 9.241 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.236 11.419 7.744 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.123 9.347 8.455 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.051 10.957 9.144 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.430 12.798 7.333 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.514 12.545 5.844 1.00 0.00 H new ATOM 664 N ALA A 47 5.432 7.724 9.066 1.00 0.00 N ATOM 665 CA ALA A 47 5.428 6.499 9.923 1.00 0.00 C ATOM 666 C ALA A 47 4.154 6.317 10.757 1.00 0.00 C ATOM 667 O ALA A 47 3.582 7.267 11.256 1.00 0.00 O ATOM 668 CB ALA A 47 6.640 6.560 10.857 1.00 0.00 C ATOM 0 H ALA A 47 6.265 8.303 9.166 1.00 0.00 H new ATOM 0 HA ALA A 47 5.470 5.642 9.251 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.655 5.674 11.492 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.554 6.598 10.265 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.574 7.452 11.480 1.00 0.00 H new ATOM 674 N GLY A 48 3.769 5.070 10.858 1.00 0.00 N ATOM 675 CA GLY A 48 2.549 4.666 11.632 1.00 0.00 C ATOM 676 C GLY A 48 1.308 5.496 11.293 1.00 0.00 C ATOM 677 O GLY A 48 0.486 5.741 12.153 1.00 0.00 O ATOM 0 H GLY A 48 4.263 4.290 10.424 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.337 3.615 11.438 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.758 4.758 12.698 1.00 0.00 H new ATOM 681 N CYS A 49 1.224 5.898 10.047 1.00 0.00 N ATOM 682 CA CYS A 49 0.079 6.719 9.539 1.00 0.00 C ATOM 683 C CYS A 49 -0.368 7.824 10.513 1.00 0.00 C ATOM 684 O CYS A 49 -1.546 8.051 10.717 1.00 0.00 O ATOM 685 CB CYS A 49 -1.100 5.757 9.226 1.00 0.00 C ATOM 686 SG CYS A 49 -1.788 4.702 10.529 1.00 0.00 S ATOM 0 H CYS A 49 1.926 5.683 9.339 1.00 0.00 H new ATOM 0 HA CYS A 49 0.411 7.242 8.642 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.917 6.364 8.837 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.776 5.102 8.417 1.00 0.00 H new ATOM 691 N SER A 50 0.612 8.482 11.081 1.00 0.00 N ATOM 692 CA SER A 50 0.337 9.586 12.055 1.00 0.00 C ATOM 693 C SER A 50 0.430 10.983 11.410 1.00 0.00 C ATOM 694 O SER A 50 1.056 11.879 11.945 1.00 0.00 O ATOM 695 CB SER A 50 1.349 9.437 13.215 1.00 0.00 C ATOM 696 OG SER A 50 2.625 9.549 12.600 1.00 0.00 O ATOM 0 H SER A 50 1.601 8.300 10.910 1.00 0.00 H new ATOM 0 HA SER A 50 -0.687 9.503 12.418 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.204 10.211 13.969 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.235 8.477 13.718 1.00 0.00 H new ATOM 0 HG SER A 50 2.911 8.669 12.278 1.00 0.00 H new ATOM 702 N GLY A 51 -0.201 11.128 10.272 1.00 0.00 N ATOM 703 CA GLY A 51 -0.180 12.445 9.558 1.00 0.00 C ATOM 704 C GLY A 51 -1.320 12.551 8.545 1.00 0.00 C ATOM 705 O GLY A 51 -2.467 12.325 8.879 1.00 0.00 O ATOM 0 H GLY A 51 -0.731 10.392 9.805 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.260 13.255 10.283 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.775 12.568 9.047 1.00 0.00 H new ATOM 709 N VAL A 52 -0.955 12.900 7.337 1.00 0.00 N ATOM 710 CA VAL A 52 -1.918 13.055 6.218 1.00 0.00 C ATOM 711 C VAL A 52 -1.586 12.082 5.079 1.00 0.00 C ATOM 712 O VAL A 52 -0.430 11.855 4.772 1.00 0.00 O ATOM 713 CB VAL A 52 -1.836 14.514 5.736 1.00 0.00 C ATOM 714 CG1 VAL A 52 -2.398 15.452 6.825 1.00 0.00 C ATOM 715 CG2 VAL A 52 -0.375 14.931 5.425 1.00 0.00 C ATOM 0 H VAL A 52 0.013 13.090 7.077 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.930 12.824 6.551 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.423 14.594 4.821 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.339 16.485 6.482 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.438 15.195 7.025 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.814 15.340 7.739 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.356 15.967 5.087 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.231 14.832 6.325 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.028 14.287 4.643 1.00 0.00 H new ATOM 725 N ALA A 53 -2.618 11.534 4.487 1.00 0.00 N ATOM 726 CA ALA A 53 -2.422 10.569 3.362 1.00 0.00 C ATOM 727 C ALA A 53 -2.180 11.325 2.052 1.00 0.00 C ATOM 728 O ALA A 53 -2.618 12.447 1.884 1.00 0.00 O ATOM 729 CB ALA A 53 -3.663 9.701 3.231 1.00 0.00 C ATOM 0 H ALA A 53 -3.591 11.714 4.735 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.553 9.944 3.570 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.528 8.994 2.412 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.824 9.154 4.160 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.528 10.332 3.027 1.00 0.00 H new ATOM 735 N HIS A 54 -1.479 10.665 1.170 1.00 0.00 N ATOM 736 CA HIS A 54 -1.132 11.222 -0.160 1.00 0.00 C ATOM 737 C HIS A 54 -1.925 10.555 -1.290 1.00 0.00 C ATOM 738 O HIS A 54 -2.297 11.224 -2.235 1.00 0.00 O ATOM 739 CB HIS A 54 0.370 11.021 -0.335 1.00 0.00 C ATOM 740 CG HIS A 54 1.128 11.932 0.645 1.00 0.00 C ATOM 741 ND1 HIS A 54 0.815 12.129 1.887 1.00 0.00 N ATOM 742 CD2 HIS A 54 2.254 12.718 0.454 1.00 0.00 C ATOM 743 CE1 HIS A 54 1.655 12.953 2.427 1.00 0.00 C ATOM 744 NE2 HIS A 54 2.567 13.345 1.572 1.00 0.00 N ATOM 0 H HIS A 54 -1.120 9.723 1.329 1.00 0.00 H new ATOM 0 HA HIS A 54 -1.394 12.279 -0.210 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.631 9.978 -0.155 1.00 0.00 H new ATOM 0 HB3 HIS A 54 0.661 11.250 -1.360 1.00 0.00 H new ATOM 0 HD2 HIS A 54 2.797 12.805 -0.476 1.00 0.00 H new ATOM 0 HE1 HIS A 54 1.609 13.277 3.456 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.342 13.988 1.734 1.00 0.00 H new ATOM 752 N THR A 55 -2.162 9.269 -1.173 1.00 0.00 N ATOM 753 CA THR A 55 -2.931 8.542 -2.236 1.00 0.00 C ATOM 754 C THR A 55 -3.929 7.540 -1.642 1.00 0.00 C ATOM 755 O THR A 55 -3.560 6.666 -0.885 1.00 0.00 O ATOM 756 CB THR A 55 -1.932 7.799 -3.150 1.00 0.00 C ATOM 757 OG1 THR A 55 -1.102 8.826 -3.675 1.00 0.00 O ATOM 758 CG2 THR A 55 -2.628 7.212 -4.393 1.00 0.00 C ATOM 0 H THR A 55 -1.857 8.692 -0.389 1.00 0.00 H new ATOM 0 HA THR A 55 -3.505 9.274 -2.804 1.00 0.00 H new ATOM 0 HB THR A 55 -1.437 7.007 -2.588 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.539 8.459 -4.388 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.893 6.697 -5.012 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.397 6.506 -4.080 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.086 8.017 -4.968 1.00 0.00 H new ATOM 766 N ARG A 56 -5.175 7.702 -2.008 1.00 0.00 N ATOM 767 CA ARG A 56 -6.253 6.793 -1.507 1.00 0.00 C ATOM 768 C ARG A 56 -6.596 5.780 -2.603 1.00 0.00 C ATOM 769 O ARG A 56 -6.253 5.984 -3.752 1.00 0.00 O ATOM 770 CB ARG A 56 -7.475 7.650 -1.134 1.00 0.00 C ATOM 771 CG ARG A 56 -7.118 8.466 0.130 1.00 0.00 C ATOM 772 CD ARG A 56 -8.268 9.418 0.488 1.00 0.00 C ATOM 773 NE ARG A 56 -7.957 10.067 1.802 1.00 0.00 N ATOM 774 CZ ARG A 56 -7.054 11.010 1.925 1.00 0.00 C ATOM 775 NH1 ARG A 56 -6.378 11.431 0.888 1.00 0.00 N ATOM 776 NH2 ARG A 56 -6.852 11.511 3.112 1.00 0.00 N ATOM 0 H ARG A 56 -5.496 8.435 -2.641 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.927 6.243 -0.624 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.739 8.316 -1.956 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.342 7.016 -0.946 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.921 7.792 0.964 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.205 9.036 -0.042 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.390 10.174 -0.288 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.208 8.870 0.549 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.467 9.764 2.632 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.550 11.025 -0.032 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.679 12.165 0.999 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.389 11.168 3.909 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.157 12.246 3.244 1.00 0.00 H new ATOM 790 N PHE A 57 -7.263 4.717 -2.221 1.00 0.00 N ATOM 791 CA PHE A 57 -7.643 3.664 -3.214 1.00 0.00 C ATOM 792 C PHE A 57 -9.066 3.134 -2.991 1.00 0.00 C ATOM 793 O PHE A 57 -9.285 2.213 -2.226 1.00 0.00 O ATOM 794 CB PHE A 57 -6.634 2.501 -3.114 1.00 0.00 C ATOM 795 CG PHE A 57 -5.208 2.985 -3.415 1.00 0.00 C ATOM 796 CD1 PHE A 57 -4.727 2.967 -4.710 1.00 0.00 C ATOM 797 CD2 PHE A 57 -4.387 3.440 -2.399 1.00 0.00 C ATOM 798 CE1 PHE A 57 -3.446 3.398 -4.988 1.00 0.00 C ATOM 799 CE2 PHE A 57 -3.108 3.871 -2.678 1.00 0.00 C ATOM 800 CZ PHE A 57 -2.635 3.850 -3.970 1.00 0.00 C ATOM 0 H PHE A 57 -7.561 4.534 -1.263 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.621 4.113 -4.207 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -6.672 2.067 -2.115 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.910 1.713 -3.815 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.359 2.613 -5.511 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.750 3.458 -1.382 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.079 3.381 -6.004 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.474 4.227 -1.879 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.632 4.187 -4.185 1.00 0.00 H new ATOM 810 N GLY A 58 -9.989 3.751 -3.685 1.00 0.00 N ATOM 811 CA GLY A 58 -11.431 3.359 -3.596 1.00 0.00 C ATOM 812 C GLY A 58 -11.765 2.379 -4.732 1.00 0.00 C ATOM 813 O GLY A 58 -12.919 2.152 -5.039 1.00 0.00 O ATOM 0 H GLY A 58 -9.801 4.525 -4.322 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.634 2.896 -2.630 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.065 4.243 -3.666 1.00 0.00 H new ATOM 817 N SER A 59 -10.726 1.834 -5.316 1.00 0.00 N ATOM 818 CA SER A 59 -10.850 0.857 -6.441 1.00 0.00 C ATOM 819 C SER A 59 -9.454 0.266 -6.694 1.00 0.00 C ATOM 820 O SER A 59 -8.478 0.993 -6.669 1.00 0.00 O ATOM 821 CB SER A 59 -11.347 1.583 -7.709 1.00 0.00 C ATOM 822 OG SER A 59 -11.447 0.556 -8.687 1.00 0.00 O ATOM 0 H SER A 59 -9.763 2.035 -5.048 1.00 0.00 H new ATOM 0 HA SER A 59 -11.562 0.070 -6.192 1.00 0.00 H new ATOM 0 HB2 SER A 59 -12.310 2.065 -7.539 1.00 0.00 H new ATOM 0 HB3 SER A 59 -10.651 2.362 -8.020 1.00 0.00 H new ATOM 0 HG SER A 59 -11.762 0.939 -9.532 1.00 0.00 H new ATOM 828 N SER A 60 -9.395 -1.025 -6.925 1.00 0.00 N ATOM 829 CA SER A 60 -8.096 -1.720 -7.189 1.00 0.00 C ATOM 830 C SER A 60 -7.192 -0.949 -8.174 1.00 0.00 C ATOM 831 O SER A 60 -7.635 -0.560 -9.237 1.00 0.00 O ATOM 832 CB SER A 60 -8.406 -3.124 -7.752 1.00 0.00 C ATOM 833 OG SER A 60 -9.132 -2.887 -8.951 1.00 0.00 O ATOM 0 H SER A 60 -10.210 -1.637 -6.942 1.00 0.00 H new ATOM 0 HA SER A 60 -7.547 -1.782 -6.249 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.490 -3.681 -7.949 1.00 0.00 H new ATOM 0 HB3 SER A 60 -8.992 -3.712 -7.046 1.00 0.00 H new ATOM 0 HG SER A 60 -8.804 -2.067 -9.376 1.00 0.00 H new ATOM 839 N ALA A 61 -5.956 -0.755 -7.780 1.00 0.00 N ATOM 840 CA ALA A 61 -4.970 -0.020 -8.642 1.00 0.00 C ATOM 841 C ALA A 61 -3.675 -0.833 -8.793 1.00 0.00 C ATOM 842 O ALA A 61 -2.810 -0.791 -7.943 1.00 0.00 O ATOM 843 CB ALA A 61 -4.677 1.339 -7.989 1.00 0.00 C ATOM 0 H ALA A 61 -5.582 -1.078 -6.888 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.387 0.128 -9.638 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.962 1.890 -8.600 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.601 1.911 -7.908 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.259 1.182 -6.994 1.00 0.00 H new ATOM 849 N ARG A 62 -3.599 -1.547 -9.889 1.00 0.00 N ATOM 850 CA ARG A 62 -2.424 -2.411 -10.221 1.00 0.00 C ATOM 851 C ARG A 62 -1.142 -1.657 -10.625 1.00 0.00 C ATOM 852 O ARG A 62 -0.755 -1.664 -11.779 1.00 0.00 O ATOM 853 CB ARG A 62 -2.879 -3.360 -11.348 1.00 0.00 C ATOM 854 CG ARG A 62 -4.014 -4.274 -10.853 1.00 0.00 C ATOM 855 CD ARG A 62 -4.497 -5.202 -11.978 1.00 0.00 C ATOM 856 NE ARG A 62 -5.574 -6.083 -11.423 1.00 0.00 N ATOM 857 CZ ARG A 62 -5.308 -7.069 -10.597 1.00 0.00 C ATOM 858 NH1 ARG A 62 -4.080 -7.320 -10.229 1.00 0.00 N ATOM 859 NH2 ARG A 62 -6.303 -7.787 -10.158 1.00 0.00 N ATOM 0 H ARG A 62 -4.335 -1.566 -10.595 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.132 -2.942 -9.315 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.219 -2.780 -12.206 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.037 -3.965 -11.685 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.666 -4.869 -10.009 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.845 -3.667 -10.494 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.877 -4.618 -12.816 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.671 -5.803 -12.357 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.542 -5.912 -11.694 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.314 -6.747 -10.584 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.887 -8.089 -9.587 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.255 -7.576 -10.457 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.130 -8.560 -9.515 1.00 0.00 H new ATOM 873 N ALA A 63 -0.516 -1.025 -9.661 1.00 0.00 N ATOM 874 CA ALA A 63 0.742 -0.268 -9.952 1.00 0.00 C ATOM 875 C ALA A 63 1.971 -1.176 -9.754 1.00 0.00 C ATOM 876 O ALA A 63 1.882 -2.207 -9.114 1.00 0.00 O ATOM 877 CB ALA A 63 0.824 0.952 -9.015 1.00 0.00 C ATOM 0 H ALA A 63 -0.821 -1.001 -8.688 1.00 0.00 H new ATOM 0 HA ALA A 63 0.730 0.069 -10.988 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.738 1.508 -9.221 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.039 1.597 -9.181 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.831 0.615 -7.978 1.00 0.00 H new ATOM 883 N CYS A 64 3.086 -0.773 -10.311 1.00 0.00 N ATOM 884 CA CYS A 64 4.342 -1.582 -10.177 1.00 0.00 C ATOM 885 C CYS A 64 5.563 -0.661 -10.035 1.00 0.00 C ATOM 886 O CYS A 64 6.645 -1.108 -9.709 1.00 0.00 O ATOM 887 CB CYS A 64 4.471 -2.490 -11.422 1.00 0.00 C ATOM 888 SG CYS A 64 3.037 -3.560 -11.710 1.00 0.00 S ATOM 0 H CYS A 64 3.183 0.084 -10.855 1.00 0.00 H new ATOM 0 HA CYS A 64 4.296 -2.199 -9.280 1.00 0.00 H new ATOM 0 HB2 CYS A 64 4.626 -1.864 -12.301 1.00 0.00 H new ATOM 0 HB3 CYS A 64 5.359 -3.112 -11.314 1.00 0.00 H new ATOM 893 N ASN A 65 5.357 0.607 -10.280 1.00 0.00 N ATOM 894 CA ASN A 65 6.458 1.609 -10.177 1.00 0.00 C ATOM 895 C ASN A 65 6.830 1.834 -8.693 1.00 0.00 C ATOM 896 O ASN A 65 6.010 1.587 -7.830 1.00 0.00 O ATOM 897 CB ASN A 65 5.962 2.902 -10.821 1.00 0.00 C ATOM 898 CG ASN A 65 5.661 2.639 -12.299 1.00 0.00 C ATOM 899 OD1 ASN A 65 4.594 2.180 -12.658 1.00 0.00 O ATOM 900 ND2 ASN A 65 6.578 2.915 -13.185 1.00 0.00 N ATOM 0 H ASN A 65 4.455 0.997 -10.552 1.00 0.00 H new ATOM 0 HA ASN A 65 7.355 1.259 -10.689 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.066 3.257 -10.312 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.715 3.684 -10.723 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.398 2.746 -14.175 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.475 3.300 -12.888 1.00 0.00 H new ATOM 907 N PRO A 66 8.038 2.287 -8.424 1.00 0.00 N ATOM 908 CA PRO A 66 8.468 2.670 -7.044 1.00 0.00 C ATOM 909 C PRO A 66 7.622 3.822 -6.474 1.00 0.00 C ATOM 910 O PRO A 66 6.756 4.356 -7.141 1.00 0.00 O ATOM 911 CB PRO A 66 9.952 3.046 -7.156 1.00 0.00 C ATOM 912 CG PRO A 66 10.341 2.964 -8.641 1.00 0.00 C ATOM 913 CD PRO A 66 9.121 2.473 -9.436 1.00 0.00 C ATOM 0 HA PRO A 66 8.323 1.846 -6.345 1.00 0.00 H new ATOM 0 HB2 PRO A 66 10.123 4.051 -6.770 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.565 2.368 -6.562 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.662 3.941 -9.003 1.00 0.00 H new ATOM 0 HG3 PRO A 66 11.181 2.282 -8.776 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.829 3.198 -10.195 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.339 1.539 -9.954 1.00 0.00 H new ATOM 921 N PHE A 67 7.912 4.160 -5.243 1.00 0.00 N ATOM 922 CA PHE A 67 7.177 5.261 -4.544 1.00 0.00 C ATOM 923 C PHE A 67 8.027 5.811 -3.384 1.00 0.00 C ATOM 924 O PHE A 67 9.201 5.510 -3.296 1.00 0.00 O ATOM 925 CB PHE A 67 5.835 4.697 -4.024 1.00 0.00 C ATOM 926 CG PHE A 67 6.074 3.529 -3.052 1.00 0.00 C ATOM 927 CD1 PHE A 67 6.319 2.238 -3.475 1.00 0.00 C ATOM 928 CD2 PHE A 67 6.038 3.792 -1.704 1.00 0.00 C ATOM 929 CE1 PHE A 67 6.522 1.239 -2.549 1.00 0.00 C ATOM 930 CE2 PHE A 67 6.242 2.803 -0.775 1.00 0.00 C ATOM 931 CZ PHE A 67 6.485 1.522 -1.198 1.00 0.00 C ATOM 0 H PHE A 67 8.638 3.713 -4.683 1.00 0.00 H new ATOM 0 HA PHE A 67 6.984 6.083 -5.233 1.00 0.00 H new ATOM 0 HB2 PHE A 67 5.274 5.485 -3.522 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.228 4.359 -4.864 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.351 2.012 -4.531 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.845 4.800 -1.368 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.711 0.229 -2.881 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.211 3.032 0.280 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.647 0.735 -0.476 1.00 0.00 H new ATOM 941 N GLY A 68 7.413 6.597 -2.532 1.00 0.00 N ATOM 942 CA GLY A 68 8.142 7.187 -1.366 1.00 0.00 C ATOM 943 C GLY A 68 7.199 7.421 -0.180 1.00 0.00 C ATOM 944 O GLY A 68 7.087 8.528 0.311 1.00 0.00 O ATOM 0 H GLY A 68 6.429 6.857 -2.596 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.950 6.521 -1.065 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.600 8.131 -1.661 1.00 0.00 H new ATOM 948 N TRP A 69 6.553 6.363 0.241 1.00 0.00 N ATOM 949 CA TRP A 69 5.597 6.427 1.391 1.00 0.00 C ATOM 950 C TRP A 69 6.211 5.700 2.589 1.00 0.00 C ATOM 951 O TRP A 69 7.148 4.938 2.444 1.00 0.00 O ATOM 952 CB TRP A 69 4.270 5.741 1.023 1.00 0.00 C ATOM 953 CG TRP A 69 3.450 6.563 0.007 1.00 0.00 C ATOM 954 CD1 TRP A 69 3.026 7.849 0.194 1.00 0.00 C ATOM 955 CD2 TRP A 69 3.012 6.146 -1.218 1.00 0.00 C ATOM 956 NE1 TRP A 69 2.371 8.143 -0.901 1.00 0.00 N ATOM 957 CE2 TRP A 69 2.305 7.194 -1.807 1.00 0.00 C ATOM 958 CE3 TRP A 69 3.137 4.940 -1.906 1.00 0.00 C ATOM 959 CZ2 TRP A 69 1.737 7.043 -3.068 1.00 0.00 C ATOM 960 CZ3 TRP A 69 2.569 4.786 -3.167 1.00 0.00 C ATOM 961 CH2 TRP A 69 1.869 5.837 -3.750 1.00 0.00 C ATOM 0 H TRP A 69 6.650 5.436 -0.173 1.00 0.00 H new ATOM 0 HA TRP A 69 5.405 7.472 1.634 1.00 0.00 H new ATOM 0 HB2 TRP A 69 4.476 4.755 0.607 1.00 0.00 H new ATOM 0 HB3 TRP A 69 3.679 5.589 1.926 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.194 8.481 1.053 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.937 9.055 -1.042 1.00 0.00 H new ATOM 0 HE3 TRP A 69 3.678 4.120 -1.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.194 7.861 -3.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 2.672 3.849 -3.694 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.429 5.718 -4.729 1.00 0.00 H new ATOM 972 N LYS A 70 5.651 5.965 3.740 1.00 0.00 N ATOM 973 CA LYS A 70 6.142 5.332 5.004 1.00 0.00 C ATOM 974 C LYS A 70 5.241 4.169 5.405 1.00 0.00 C ATOM 975 O LYS A 70 5.730 3.119 5.772 1.00 0.00 O ATOM 976 CB LYS A 70 6.150 6.383 6.122 1.00 0.00 C ATOM 977 CG LYS A 70 7.365 7.343 6.029 1.00 0.00 C ATOM 978 CD LYS A 70 7.477 8.001 4.631 1.00 0.00 C ATOM 979 CE LYS A 70 8.511 9.135 4.660 1.00 0.00 C ATOM 980 NZ LYS A 70 8.594 9.767 3.311 1.00 0.00 N ATOM 0 H LYS A 70 4.863 6.602 3.861 1.00 0.00 H new ATOM 0 HA LYS A 70 7.150 4.951 4.842 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.229 6.964 6.077 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.162 5.880 7.089 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.273 8.119 6.789 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.280 6.792 6.245 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.766 7.254 3.892 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.506 8.392 4.326 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.230 9.879 5.405 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.486 8.745 4.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.342 10.490 3.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.815 9.041 2.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.683 10.212 3.079 1.00 0.00 H new ATOM 994 N SER A 71 3.955 4.403 5.318 1.00 0.00 N ATOM 995 CA SER A 71 2.949 3.356 5.682 1.00 0.00 C ATOM 996 C SER A 71 1.612 3.566 4.982 1.00 0.00 C ATOM 997 O SER A 71 1.330 4.620 4.452 1.00 0.00 O ATOM 998 CB SER A 71 2.718 3.364 7.206 1.00 0.00 C ATOM 999 OG SER A 71 2.414 4.715 7.524 1.00 0.00 O ATOM 0 H SER A 71 3.554 5.287 5.006 1.00 0.00 H new ATOM 0 HA SER A 71 3.353 2.397 5.356 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.900 2.699 7.485 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.604 3.022 7.741 1.00 0.00 H new ATOM 0 HG SER A 71 3.246 5.215 7.657 1.00 0.00 H new ATOM 1005 N ILE A 72 0.839 2.515 5.028 1.00 0.00 N ATOM 1006 CA ILE A 72 -0.516 2.504 4.401 1.00 0.00 C ATOM 1007 C ILE A 72 -1.576 2.091 5.415 1.00 0.00 C ATOM 1008 O ILE A 72 -1.426 1.089 6.085 1.00 0.00 O ATOM 1009 CB ILE A 72 -0.526 1.510 3.195 1.00 0.00 C ATOM 1010 CG1 ILE A 72 -2.005 1.327 2.692 1.00 0.00 C ATOM 1011 CG2 ILE A 72 0.072 0.133 3.619 1.00 0.00 C ATOM 1012 CD1 ILE A 72 -2.044 0.571 1.389 1.00 0.00 C ATOM 0 H ILE A 72 1.096 1.641 5.486 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.746 3.510 4.050 1.00 0.00 H new ATOM 0 HB ILE A 72 0.087 1.914 2.389 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.585 0.792 3.444 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.473 2.303 2.564 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.058 -0.548 2.768 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.099 0.271 3.956 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.523 -0.288 4.430 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.078 0.459 1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.484 1.121 0.633 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.598 -0.414 1.526 1.00 0.00 H new ATOM 1024 N PHE A 73 -2.607 2.892 5.476 1.00 0.00 N ATOM 1025 CA PHE A 73 -3.738 2.634 6.407 1.00 0.00 C ATOM 1026 C PHE A 73 -4.854 1.974 5.599 1.00 0.00 C ATOM 1027 O PHE A 73 -5.025 2.246 4.425 1.00 0.00 O ATOM 1028 CB PHE A 73 -4.230 3.967 7.005 1.00 0.00 C ATOM 1029 CG PHE A 73 -5.471 3.689 7.873 1.00 0.00 C ATOM 1030 CD1 PHE A 73 -5.336 3.279 9.186 1.00 0.00 C ATOM 1031 CD2 PHE A 73 -6.743 3.835 7.343 1.00 0.00 C ATOM 1032 CE1 PHE A 73 -6.453 3.021 9.956 1.00 0.00 C ATOM 1033 CE2 PHE A 73 -7.858 3.577 8.112 1.00 0.00 C ATOM 1034 CZ PHE A 73 -7.713 3.169 9.419 1.00 0.00 C ATOM 0 H PHE A 73 -2.712 3.731 4.906 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.429 1.986 7.227 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.444 4.425 7.605 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.475 4.671 6.209 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.351 3.160 9.612 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.862 4.154 6.318 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.338 2.702 10.982 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.845 3.695 7.689 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.585 2.965 10.022 1.00 0.00 H new ATOM 1044 N ILE A 74 -5.573 1.124 6.279 1.00 0.00 N ATOM 1045 CA ILE A 74 -6.710 0.381 5.663 1.00 0.00 C ATOM 1046 C ILE A 74 -7.782 0.323 6.755 1.00 0.00 C ATOM 1047 O ILE A 74 -7.470 0.072 7.904 1.00 0.00 O ATOM 1048 CB ILE A 74 -6.250 -1.053 5.261 1.00 0.00 C ATOM 1049 CG1 ILE A 74 -5.000 -0.943 4.332 1.00 0.00 C ATOM 1050 CG2 ILE A 74 -7.409 -1.734 4.490 1.00 0.00 C ATOM 1051 CD1 ILE A 74 -4.519 -2.319 3.839 1.00 0.00 C ATOM 0 H ILE A 74 -5.415 0.908 7.263 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.083 0.860 4.758 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.993 -1.637 6.145 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.241 -0.316 3.474 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.191 -0.449 4.871 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.110 -2.741 4.198 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -8.289 -1.789 5.130 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -7.644 -1.152 3.599 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.648 -2.191 3.196 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.251 -2.939 4.695 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.317 -2.803 3.276 1.00 0.00 H new ATOM 1063 N GLN A 75 -9.011 0.558 6.365 1.00 0.00 N ATOM 1064 CA GLN A 75 -10.132 0.529 7.356 1.00 0.00 C ATOM 1065 C GLN A 75 -10.246 -0.844 8.026 1.00 0.00 C ATOM 1066 O GLN A 75 -9.927 -1.859 7.436 1.00 0.00 O ATOM 1067 CB GLN A 75 -11.457 0.844 6.655 1.00 0.00 C ATOM 1068 CG GLN A 75 -11.391 2.209 5.952 1.00 0.00 C ATOM 1069 CD GLN A 75 -12.772 2.482 5.357 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -12.965 2.497 4.157 1.00 0.00 O ATOM 1071 NE2 GLN A 75 -13.761 2.700 6.179 1.00 0.00 N ATOM 0 H GLN A 75 -9.286 0.768 5.406 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.919 1.279 8.118 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.682 0.065 5.927 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.268 0.844 7.383 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.116 2.992 6.659 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.631 2.202 5.171 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.599 2.687 7.186 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -14.696 2.883 5.815 1.00 0.00 H new ATOM 1080 N CYS A 76 -10.701 -0.809 9.251 1.00 0.00 N ATOM 1081 CA CYS A 76 -10.878 -2.048 10.062 1.00 0.00 C ATOM 1082 C CYS A 76 -12.372 -2.404 10.185 1.00 0.00 C ATOM 1083 O CYS A 76 -13.158 -1.473 10.253 1.00 0.00 O ATOM 1084 CB CYS A 76 -10.259 -1.794 11.444 1.00 0.00 C ATOM 1085 SG CYS A 76 -9.648 -3.251 12.320 1.00 0.00 S ATOM 1086 OXT CYS A 76 -12.644 -3.594 10.205 1.00 0.00 O ATOM 0 H CYS A 76 -10.964 0.050 9.734 1.00 0.00 H new ATOM 0 HA CYS A 76 -10.384 -2.892 9.581 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -9.433 -1.093 11.326 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -11.006 -1.305 12.070 1.00 0.00 H new TER 1091 CYS A 76