USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 937 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 67 HIS : no HD1:sc= -7.62! C(o=-9.1!,f=-6.5!) USER MOD Set 1.2: A 112 GLN : amide:sc= -1.5 K(o=-9.1,f=-6.5) USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.0171 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -1.42 K(o=-1.4,f=-6.4!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.512 X(o=-0.51,f=-0.44) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -148:sc= -3.94! (180deg=-4.97!) USER MOD Single : A 19 LYS NZ :NH3+ 139:sc= -1.53 (180deg=-4.72!) USER MOD Single : A 27 HIS : no HD1:sc= -0.305 X(o=-0.3,f=-0.057) USER MOD Single : A 28 GLN : amide:sc= -0.127 K(o=-0.13,f=-2.2!) USER MOD Single : A 29 SER OG : rot -51:sc= 0.625 USER MOD Single : A 31 TYR OH : rot -110:sc= 0.00314 USER MOD Single : A 32 CYS SG : rot 180:sc= -0.203 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 180:sc=-0.00291 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.217 X(o=-0.22,f=-0.3) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0291 X(o=-0.029,f=-0.029) USER MOD Single : A 72 CYS SG : rot -93:sc= -1.43 USER MOD Single : A 74 LYS NZ :NH3+ -109:sc= -1.33 (180deg=-2.37) USER MOD Single : A 75 THR OG1 : rot -69:sc= 0.616 USER MOD Single : A 77 HIS : no HD1:sc= -1.4 X(o=-1.4,f=-1.2) USER MOD Single : A 78 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0219) USER MOD Single : A 80 HIS : no HD1:sc= -0.189 X(o=-0.19,f=-0.029) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.146 K(o=-0.15,f=1.2) USER MOD Single : A 93 GLN : amide:sc= -0.0225 X(o=-0.022,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0217 USER MOD Single : A 95 TYR OH : rot 124:sc= 0.254 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 152:sc= -0.13 (180deg=-0.792) USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 106 LYS NZ :NH3+ 159:sc= -0.405 (180deg=-0.961) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.0607 X(o=-0.061,f=-0.44) USER MOD Single : A 113 ASN : amide:sc= -3.55! C(o=-3.6!,f=-3.7!) USER MOD Single : A 115 THR OG1 : rot 53:sc= 0.21 USER MOD Single : A 119 SER OG : rot 34:sc= 0.855 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.800 -27.160 6.496 1.00 0.00 N ATOM 2 CA GLY A 1 4.822 -26.136 6.614 1.00 0.00 C ATOM 3 C GLY A 1 5.987 -26.576 7.478 1.00 0.00 C ATOM 4 O GLY A 1 6.359 -27.749 7.480 1.00 0.00 O ATOM 0 H1 GLY A 1 3.525 -27.262 5.498 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.173 -28.065 6.847 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.969 -26.887 7.058 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.188 -25.876 5.621 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.381 -25.234 7.037 1.00 0.00 H new ATOM 8 N SER A 2 6.565 -25.632 8.214 1.00 0.00 N ATOM 9 CA SER A 2 7.699 -25.927 9.083 1.00 0.00 C ATOM 10 C SER A 2 8.845 -26.547 8.289 1.00 0.00 C ATOM 11 O SER A 2 9.483 -27.499 8.739 1.00 0.00 O ATOM 12 CB SER A 2 7.273 -26.873 10.208 1.00 0.00 C ATOM 13 OG SER A 2 6.246 -26.297 10.997 1.00 0.00 O ATOM 0 H SER A 2 6.267 -24.657 8.226 1.00 0.00 H new ATOM 0 HA SER A 2 8.046 -24.990 9.517 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.925 -27.815 9.783 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.132 -27.105 10.837 1.00 0.00 H new ATOM 0 HG SER A 2 5.990 -26.921 11.708 1.00 0.00 H new ATOM 19 N SER A 3 9.100 -26.000 7.105 1.00 0.00 N ATOM 20 CA SER A 3 10.166 -26.500 6.245 1.00 0.00 C ATOM 21 C SER A 3 11.335 -25.521 6.204 1.00 0.00 C ATOM 22 O SER A 3 11.183 -24.341 6.518 1.00 0.00 O ATOM 23 CB SER A 3 9.638 -26.741 4.830 1.00 0.00 C ATOM 24 OG SER A 3 9.398 -25.516 4.160 1.00 0.00 O ATOM 0 H SER A 3 8.583 -25.210 6.719 1.00 0.00 H new ATOM 0 HA SER A 3 10.520 -27.444 6.659 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.359 -27.333 4.265 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.716 -27.321 4.876 1.00 0.00 H new ATOM 0 HG SER A 3 9.063 -25.697 3.257 1.00 0.00 H new ATOM 30 N GLY A 4 12.504 -26.021 5.814 1.00 0.00 N ATOM 31 CA GLY A 4 13.683 -25.178 5.739 1.00 0.00 C ATOM 32 C GLY A 4 13.466 -23.954 4.872 1.00 0.00 C ATOM 33 O GLY A 4 13.127 -22.882 5.374 1.00 0.00 O ATOM 0 H GLY A 4 12.655 -26.994 5.549 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.965 -24.863 6.744 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.516 -25.758 5.342 1.00 0.00 H new ATOM 37 N SER A 5 13.664 -24.112 3.567 1.00 0.00 N ATOM 38 CA SER A 5 13.493 -23.009 2.629 1.00 0.00 C ATOM 39 C SER A 5 12.233 -23.199 1.791 1.00 0.00 C ATOM 40 O SER A 5 12.207 -24.007 0.863 1.00 0.00 O ATOM 41 CB SER A 5 14.715 -22.895 1.715 1.00 0.00 C ATOM 42 OG SER A 5 15.892 -22.653 2.465 1.00 0.00 O ATOM 0 H SER A 5 13.943 -24.993 3.136 1.00 0.00 H new ATOM 0 HA SER A 5 13.391 -22.088 3.204 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.829 -23.813 1.139 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.564 -22.087 0.999 1.00 0.00 H new ATOM 0 HG SER A 5 16.659 -22.586 1.858 1.00 0.00 H new ATOM 48 N SER A 6 11.188 -22.448 2.125 1.00 0.00 N ATOM 49 CA SER A 6 9.922 -22.535 1.406 1.00 0.00 C ATOM 50 C SER A 6 10.146 -22.453 -0.101 1.00 0.00 C ATOM 51 O SER A 6 9.771 -23.358 -0.845 1.00 0.00 O ATOM 52 CB SER A 6 8.979 -21.417 1.855 1.00 0.00 C ATOM 53 OG SER A 6 7.758 -21.462 1.137 1.00 0.00 O ATOM 0 H SER A 6 11.193 -21.772 2.889 1.00 0.00 H new ATOM 0 HA SER A 6 9.467 -23.499 1.636 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.781 -21.511 2.923 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.458 -20.450 1.704 1.00 0.00 H new ATOM 0 HG SER A 6 7.172 -20.739 1.443 1.00 0.00 H new ATOM 59 N GLY A 7 10.762 -21.361 -0.543 1.00 0.00 N ATOM 60 CA GLY A 7 11.026 -21.180 -1.958 1.00 0.00 C ATOM 61 C GLY A 7 9.755 -21.114 -2.781 1.00 0.00 C ATOM 62 O GLY A 7 9.241 -22.130 -3.251 1.00 0.00 O ATOM 0 H GLY A 7 11.083 -20.599 0.054 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.597 -20.263 -2.103 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.645 -22.002 -2.317 1.00 0.00 H new ATOM 66 N PRO A 8 9.226 -19.895 -2.964 1.00 0.00 N ATOM 67 CA PRO A 8 7.999 -19.672 -3.735 1.00 0.00 C ATOM 68 C PRO A 8 8.200 -19.917 -5.227 1.00 0.00 C ATOM 69 O PRO A 8 9.263 -20.367 -5.655 1.00 0.00 O ATOM 70 CB PRO A 8 7.679 -18.199 -3.473 1.00 0.00 C ATOM 71 CG PRO A 8 8.992 -17.578 -3.142 1.00 0.00 C ATOM 72 CD PRO A 8 9.785 -18.641 -2.433 1.00 0.00 C ATOM 0 HA PRO A 8 7.202 -20.354 -3.440 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.229 -17.730 -4.348 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.971 -18.088 -2.652 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.505 -17.245 -4.044 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.860 -16.701 -2.508 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.851 -18.555 -2.644 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.668 -18.575 -1.351 1.00 0.00 H new ATOM 80 N TYR A 9 7.173 -19.616 -6.014 1.00 0.00 N ATOM 81 CA TYR A 9 7.236 -19.805 -7.459 1.00 0.00 C ATOM 82 C TYR A 9 7.586 -18.499 -8.164 1.00 0.00 C ATOM 83 O TYR A 9 8.636 -18.383 -8.796 1.00 0.00 O ATOM 84 CB TYR A 9 5.903 -20.340 -7.983 1.00 0.00 C ATOM 85 CG TYR A 9 5.685 -21.808 -7.699 1.00 0.00 C ATOM 86 CD1 TYR A 9 5.506 -22.266 -6.399 1.00 0.00 C ATOM 87 CD2 TYR A 9 5.657 -22.739 -8.731 1.00 0.00 C ATOM 88 CE1 TYR A 9 5.308 -23.607 -6.135 1.00 0.00 C ATOM 89 CE2 TYR A 9 5.458 -24.082 -8.476 1.00 0.00 C ATOM 90 CZ TYR A 9 5.284 -24.511 -7.176 1.00 0.00 C ATOM 91 OH TYR A 9 5.085 -25.848 -6.917 1.00 0.00 O ATOM 0 H TYR A 9 6.287 -19.240 -5.676 1.00 0.00 H new ATOM 0 HA TYR A 9 8.020 -20.532 -7.671 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.090 -19.768 -7.535 1.00 0.00 H new ATOM 0 HB3 TYR A 9 5.853 -20.176 -9.059 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.522 -21.561 -5.581 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.793 -22.407 -9.750 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.173 -23.946 -5.119 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.439 -24.792 -9.289 1.00 0.00 H new ATOM 0 HH TYR A 9 5.095 -26.349 -7.759 1.00 0.00 H new ATOM 101 N ASN A 10 6.699 -17.516 -8.051 1.00 0.00 N ATOM 102 CA ASN A 10 6.912 -16.216 -8.677 1.00 0.00 C ATOM 103 C ASN A 10 7.033 -15.119 -7.625 1.00 0.00 C ATOM 104 O ASN A 10 6.816 -15.355 -6.436 1.00 0.00 O ATOM 105 CB ASN A 10 5.765 -15.894 -9.636 1.00 0.00 C ATOM 106 CG ASN A 10 5.220 -17.132 -10.323 1.00 0.00 C ATOM 107 OD1 ASN A 10 5.894 -18.160 -10.400 1.00 0.00 O ATOM 108 ND2 ASN A 10 3.995 -17.039 -10.826 1.00 0.00 N ATOM 0 H ASN A 10 5.825 -17.595 -7.531 1.00 0.00 H new ATOM 0 HA ASN A 10 7.845 -16.260 -9.239 1.00 0.00 H new ATOM 0 HB2 ASN A 10 4.962 -15.404 -9.086 1.00 0.00 H new ATOM 0 HB3 ASN A 10 6.113 -15.187 -10.389 1.00 0.00 H new ATOM 0 HD21 ASN A 10 3.576 -17.839 -11.299 1.00 0.00 H new ATOM 0 HD22 ASN A 10 3.473 -16.167 -10.739 1.00 0.00 H new ATOM 115 N LYS A 11 7.382 -13.916 -8.070 1.00 0.00 N ATOM 116 CA LYS A 11 7.531 -12.780 -7.168 1.00 0.00 C ATOM 117 C LYS A 11 7.488 -11.464 -7.939 1.00 0.00 C ATOM 118 O LYS A 11 8.229 -11.275 -8.903 1.00 0.00 O ATOM 119 CB LYS A 11 8.846 -12.887 -6.393 1.00 0.00 C ATOM 120 CG LYS A 11 9.090 -11.725 -5.445 1.00 0.00 C ATOM 121 CD LYS A 11 9.844 -10.596 -6.129 1.00 0.00 C ATOM 122 CE LYS A 11 11.348 -10.804 -6.051 1.00 0.00 C ATOM 123 NZ LYS A 11 12.097 -9.674 -6.668 1.00 0.00 N ATOM 0 H LYS A 11 7.567 -13.703 -9.050 1.00 0.00 H new ATOM 0 HA LYS A 11 6.699 -12.795 -6.464 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.848 -13.816 -5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.672 -12.946 -7.102 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.136 -11.353 -5.071 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.657 -12.072 -4.581 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.538 -10.533 -7.173 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.582 -9.647 -5.662 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.646 -10.911 -5.008 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.613 -11.733 -6.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.119 -9.854 -6.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.832 -9.588 -7.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.864 -8.791 -6.171 1.00 0.00 H new ATOM 137 N ASN A 12 6.618 -10.558 -7.506 1.00 0.00 N ATOM 138 CA ASN A 12 6.480 -9.260 -8.156 1.00 0.00 C ATOM 139 C ASN A 12 7.578 -8.304 -7.699 1.00 0.00 C ATOM 140 O ASN A 12 8.311 -7.748 -8.516 1.00 0.00 O ATOM 141 CB ASN A 12 5.106 -8.658 -7.853 1.00 0.00 C ATOM 142 CG ASN A 12 4.931 -7.281 -8.463 1.00 0.00 C ATOM 143 OD1 ASN A 12 4.562 -6.328 -7.776 1.00 0.00 O ATOM 144 ND2 ASN A 12 5.195 -7.170 -9.760 1.00 0.00 N ATOM 0 H ASN A 12 5.998 -10.698 -6.708 1.00 0.00 H new ATOM 0 HA ASN A 12 6.575 -9.408 -9.232 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.330 -9.322 -8.233 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.970 -8.594 -6.773 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.095 -6.268 -10.226 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.498 -7.987 -10.290 1.00 0.00 H new ATOM 151 N GLY A 13 7.685 -8.118 -6.387 1.00 0.00 N ATOM 152 CA GLY A 13 8.696 -7.229 -5.844 1.00 0.00 C ATOM 153 C GLY A 13 8.470 -6.922 -4.377 1.00 0.00 C ATOM 154 O GLY A 13 9.410 -6.594 -3.652 1.00 0.00 O ATOM 0 H GLY A 13 7.090 -8.567 -5.691 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.679 -7.682 -5.970 1.00 0.00 H new ATOM 0 HA3 GLY A 13 8.699 -6.298 -6.411 1.00 0.00 H new ATOM 158 N PHE A 14 7.221 -7.027 -3.938 1.00 0.00 N ATOM 159 CA PHE A 14 6.874 -6.755 -2.548 1.00 0.00 C ATOM 160 C PHE A 14 7.720 -7.601 -1.601 1.00 0.00 C ATOM 161 O PHE A 14 7.862 -8.809 -1.788 1.00 0.00 O ATOM 162 CB PHE A 14 5.388 -7.032 -2.307 1.00 0.00 C ATOM 163 CG PHE A 14 4.483 -5.972 -2.867 1.00 0.00 C ATOM 164 CD1 PHE A 14 4.328 -4.759 -2.214 1.00 0.00 C ATOM 165 CD2 PHE A 14 3.787 -6.188 -4.045 1.00 0.00 C ATOM 166 CE1 PHE A 14 3.495 -3.783 -2.727 1.00 0.00 C ATOM 167 CE2 PHE A 14 2.953 -5.215 -4.563 1.00 0.00 C ATOM 168 CZ PHE A 14 2.808 -4.010 -3.903 1.00 0.00 C ATOM 0 H PHE A 14 6.432 -7.299 -4.524 1.00 0.00 H new ATOM 0 HA PHE A 14 7.078 -5.703 -2.348 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.129 -7.992 -2.752 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.212 -7.120 -1.235 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.864 -4.575 -1.295 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.897 -7.128 -4.565 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.381 -2.843 -2.208 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.416 -5.396 -5.482 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.159 -3.247 -4.306 1.00 0.00 H new ATOM 178 N LYS A 15 8.280 -6.957 -0.582 1.00 0.00 N ATOM 179 CA LYS A 15 9.112 -7.648 0.396 1.00 0.00 C ATOM 180 C LYS A 15 8.513 -7.538 1.794 1.00 0.00 C ATOM 181 O LYS A 15 7.923 -6.517 2.149 1.00 0.00 O ATOM 182 CB LYS A 15 10.529 -7.069 0.390 1.00 0.00 C ATOM 183 CG LYS A 15 11.202 -7.123 -0.970 1.00 0.00 C ATOM 184 CD LYS A 15 12.708 -6.959 -0.854 1.00 0.00 C ATOM 185 CE LYS A 15 13.096 -5.504 -0.638 1.00 0.00 C ATOM 186 NZ LYS A 15 14.567 -5.339 -0.481 1.00 0.00 N ATOM 0 H LYS A 15 8.172 -5.957 -0.412 1.00 0.00 H new ATOM 0 HA LYS A 15 9.155 -8.702 0.120 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.491 -6.033 0.726 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.139 -7.615 1.110 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.975 -8.074 -1.452 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.798 -6.337 -1.608 1.00 0.00 H new ATOM 0 HD2 LYS A 15 13.078 -7.562 -0.025 1.00 0.00 H new ATOM 0 HD3 LYS A 15 13.187 -7.334 -1.759 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.752 -4.907 -1.483 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.591 -5.122 0.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.790 -4.334 -0.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 14.892 -5.888 0.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.048 -5.680 -1.338 1.00 0.00 H new ATOM 200 N VAL A 16 8.669 -8.595 2.585 1.00 0.00 N ATOM 201 CA VAL A 16 8.145 -8.616 3.945 1.00 0.00 C ATOM 202 C VAL A 16 8.673 -7.438 4.755 1.00 0.00 C ATOM 203 O VAL A 16 9.875 -7.177 4.781 1.00 0.00 O ATOM 204 CB VAL A 16 8.511 -9.927 4.667 1.00 0.00 C ATOM 205 CG1 VAL A 16 8.075 -9.874 6.123 1.00 0.00 C ATOM 206 CG2 VAL A 16 7.887 -11.118 3.957 1.00 0.00 C ATOM 0 H VAL A 16 9.154 -9.448 2.307 1.00 0.00 H new ATOM 0 HA VAL A 16 7.060 -8.543 3.868 1.00 0.00 H new ATOM 0 HB VAL A 16 9.594 -10.046 4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.342 -10.808 6.617 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.575 -9.044 6.622 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.996 -9.732 6.175 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.156 -12.035 4.480 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.802 -11.009 3.949 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.255 -11.164 2.932 1.00 0.00 H new ATOM 216 N GLY A 17 7.764 -6.728 5.418 1.00 0.00 N ATOM 217 CA GLY A 17 8.158 -5.585 6.221 1.00 0.00 C ATOM 218 C GLY A 17 7.706 -4.270 5.618 1.00 0.00 C ATOM 219 O GLY A 17 7.219 -3.389 6.327 1.00 0.00 O ATOM 0 H GLY A 17 6.763 -6.924 5.413 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.738 -5.686 7.222 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.243 -5.578 6.330 1.00 0.00 H new ATOM 223 N MET A 18 7.868 -4.135 4.306 1.00 0.00 N ATOM 224 CA MET A 18 7.474 -2.917 3.608 1.00 0.00 C ATOM 225 C MET A 18 5.991 -2.627 3.817 1.00 0.00 C ATOM 226 O MET A 18 5.129 -3.352 3.318 1.00 0.00 O ATOM 227 CB MET A 18 7.776 -3.039 2.113 1.00 0.00 C ATOM 228 CG MET A 18 9.262 -3.084 1.796 1.00 0.00 C ATOM 229 SD MET A 18 9.633 -2.507 0.128 1.00 0.00 S ATOM 230 CE MET A 18 9.033 -3.884 -0.848 1.00 0.00 C ATOM 0 H MET A 18 8.270 -4.854 3.705 1.00 0.00 H new ATOM 0 HA MET A 18 8.050 -2.089 4.021 1.00 0.00 H new ATOM 0 HB2 MET A 18 7.303 -3.942 1.727 1.00 0.00 H new ATOM 0 HB3 MET A 18 7.326 -2.195 1.590 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.802 -2.471 2.517 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.624 -4.106 1.912 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.641 -3.985 -1.747 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.097 -4.801 -0.262 1.00 0.00 H new ATOM 0 HE3 MET A 18 7.995 -3.705 -1.130 1.00 0.00 H new ATOM 240 N LYS A 19 5.699 -1.563 4.558 1.00 0.00 N ATOM 241 CA LYS A 19 4.320 -1.176 4.832 1.00 0.00 C ATOM 242 C LYS A 19 3.695 -0.493 3.620 1.00 0.00 C ATOM 243 O LYS A 19 4.402 0.002 2.741 1.00 0.00 O ATOM 244 CB LYS A 19 4.262 -0.243 6.043 1.00 0.00 C ATOM 245 CG LYS A 19 4.465 -0.954 7.370 1.00 0.00 C ATOM 246 CD LYS A 19 5.112 -0.042 8.398 1.00 0.00 C ATOM 247 CE LYS A 19 5.674 -0.834 9.569 1.00 0.00 C ATOM 248 NZ LYS A 19 6.692 -1.828 9.130 1.00 0.00 N ATOM 0 H LYS A 19 6.399 -0.953 4.980 1.00 0.00 H new ATOM 0 HA LYS A 19 3.752 -2.080 5.050 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.024 0.528 5.933 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.296 0.263 6.055 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.504 -1.304 7.747 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.089 -1.835 7.220 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.911 0.530 7.927 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.378 0.677 8.762 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.122 -0.149 10.289 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.862 -1.349 10.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.483 -1.836 9.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.260 -2.773 9.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.045 -1.570 8.186 1.00 0.00 H new ATOM 262 N LEU A 20 2.367 -0.469 3.579 1.00 0.00 N ATOM 263 CA LEU A 20 1.647 0.155 2.475 1.00 0.00 C ATOM 264 C LEU A 20 0.160 0.275 2.794 1.00 0.00 C ATOM 265 O LEU A 20 -0.305 -0.215 3.822 1.00 0.00 O ATOM 266 CB LEU A 20 1.842 -0.653 1.191 1.00 0.00 C ATOM 267 CG LEU A 20 1.038 -1.949 1.086 1.00 0.00 C ATOM 268 CD1 LEU A 20 0.719 -2.264 -0.368 1.00 0.00 C ATOM 269 CD2 LEU A 20 1.796 -3.101 1.729 1.00 0.00 C ATOM 0 H LEU A 20 1.767 -0.875 4.298 1.00 0.00 H new ATOM 0 HA LEU A 20 2.051 1.157 2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.583 -0.019 0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.900 -0.896 1.096 1.00 0.00 H new ATOM 0 HG LEU A 20 0.098 -1.815 1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.146 -3.190 -0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.134 -1.450 -0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.647 -2.378 -0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.208 -4.015 1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.752 -3.236 1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.972 -2.878 2.781 1.00 0.00 H new ATOM 281 N GLU A 21 -0.580 0.929 1.903 1.00 0.00 N ATOM 282 CA GLU A 21 -2.014 1.111 2.090 1.00 0.00 C ATOM 283 C GLU A 21 -2.804 0.276 1.087 1.00 0.00 C ATOM 284 O GLU A 21 -2.547 0.322 -0.115 1.00 0.00 O ATOM 285 CB GLU A 21 -2.387 2.588 1.945 1.00 0.00 C ATOM 286 CG GLU A 21 -1.982 3.438 3.138 1.00 0.00 C ATOM 287 CD GLU A 21 -1.859 4.909 2.792 1.00 0.00 C ATOM 288 OE1 GLU A 21 -0.885 5.278 2.105 1.00 0.00 O ATOM 289 OE2 GLU A 21 -2.739 5.691 3.209 1.00 0.00 O ATOM 0 H GLU A 21 -0.210 1.341 1.046 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.268 0.776 3.096 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.914 2.987 1.048 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.464 2.670 1.800 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.718 3.316 3.933 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.029 3.080 3.528 1.00 0.00 H new ATOM 296 N GLY A 22 -3.768 -0.490 1.591 1.00 0.00 N ATOM 297 CA GLY A 22 -4.580 -1.326 0.726 1.00 0.00 C ATOM 298 C GLY A 22 -6.065 -1.124 0.953 1.00 0.00 C ATOM 299 O GLY A 22 -6.475 -0.565 1.971 1.00 0.00 O ATOM 0 H GLY A 22 -4.001 -0.546 2.583 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.341 -1.107 -0.315 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.328 -2.373 0.897 1.00 0.00 H new ATOM 303 N VAL A 23 -6.875 -1.579 0.002 1.00 0.00 N ATOM 304 CA VAL A 23 -8.323 -1.445 0.102 1.00 0.00 C ATOM 305 C VAL A 23 -8.952 -2.703 0.691 1.00 0.00 C ATOM 306 O VAL A 23 -8.458 -3.811 0.484 1.00 0.00 O ATOM 307 CB VAL A 23 -8.957 -1.162 -1.273 1.00 0.00 C ATOM 308 CG1 VAL A 23 -10.450 -1.456 -1.243 1.00 0.00 C ATOM 309 CG2 VAL A 23 -8.696 0.276 -1.694 1.00 0.00 C ATOM 0 H VAL A 23 -6.552 -2.044 -0.847 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.518 -0.601 0.764 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.496 -1.821 -2.009 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.881 -1.250 -2.223 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.609 -2.504 -0.989 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.930 -0.824 -0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.151 0.458 -2.668 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.128 0.955 -0.959 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.621 0.447 -1.758 1.00 0.00 H new ATOM 319 N ASP A 24 -10.044 -2.523 1.426 1.00 0.00 N ATOM 320 CA ASP A 24 -10.742 -3.644 2.044 1.00 0.00 C ATOM 321 C ASP A 24 -11.657 -4.336 1.038 1.00 0.00 C ATOM 322 O ASP A 24 -12.313 -3.696 0.216 1.00 0.00 O ATOM 323 CB ASP A 24 -11.557 -3.164 3.247 1.00 0.00 C ATOM 324 CG ASP A 24 -11.764 -4.256 4.278 1.00 0.00 C ATOM 325 OD1 ASP A 24 -10.906 -4.398 5.174 1.00 0.00 O ATOM 326 OD2 ASP A 24 -12.786 -4.968 4.189 1.00 0.00 O ATOM 0 H ASP A 24 -10.465 -1.612 1.608 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.996 -4.362 2.383 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.049 -2.320 3.713 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.527 -2.803 2.905 1.00 0.00 H new ATOM 331 N PRO A 25 -11.702 -5.675 1.102 1.00 0.00 N ATOM 332 CA PRO A 25 -12.532 -6.483 0.204 1.00 0.00 C ATOM 333 C PRO A 25 -14.021 -6.322 0.489 1.00 0.00 C ATOM 334 O PRO A 25 -14.856 -6.970 -0.140 1.00 0.00 O ATOM 335 CB PRO A 25 -12.083 -7.916 0.500 1.00 0.00 C ATOM 336 CG PRO A 25 -11.555 -7.868 1.893 1.00 0.00 C ATOM 337 CD PRO A 25 -10.946 -6.503 2.057 1.00 0.00 C ATOM 0 HA PRO A 25 -12.409 -6.190 -0.839 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.914 -8.617 0.416 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.317 -8.244 -0.203 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.352 -8.030 2.619 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.812 -8.649 2.056 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.051 -6.136 3.078 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.880 -6.508 1.828 1.00 0.00 H new ATOM 345 N GLU A 26 -14.346 -5.452 1.441 1.00 0.00 N ATOM 346 CA GLU A 26 -15.736 -5.207 1.808 1.00 0.00 C ATOM 347 C GLU A 26 -16.233 -3.894 1.211 1.00 0.00 C ATOM 348 O GLU A 26 -17.432 -3.708 1.003 1.00 0.00 O ATOM 349 CB GLU A 26 -15.886 -5.177 3.331 1.00 0.00 C ATOM 350 CG GLU A 26 -15.381 -3.893 3.967 1.00 0.00 C ATOM 351 CD GLU A 26 -15.004 -4.073 5.425 1.00 0.00 C ATOM 352 OE1 GLU A 26 -15.649 -4.895 6.108 1.00 0.00 O ATOM 353 OE2 GLU A 26 -14.062 -3.392 5.882 1.00 0.00 O ATOM 0 H GLU A 26 -13.667 -4.906 1.971 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.340 -6.020 1.406 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -16.937 -5.310 3.587 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.345 -6.021 3.758 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.514 -3.534 3.413 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -16.150 -3.125 3.887 1.00 0.00 H new ATOM 360 N HIS A 27 -15.302 -2.985 0.937 1.00 0.00 N ATOM 361 CA HIS A 27 -15.644 -1.689 0.363 1.00 0.00 C ATOM 362 C HIS A 27 -14.495 -1.148 -0.482 1.00 0.00 C ATOM 363 O HIS A 27 -13.359 -1.059 -0.017 1.00 0.00 O ATOM 364 CB HIS A 27 -15.990 -0.693 1.471 1.00 0.00 C ATOM 365 CG HIS A 27 -17.405 -0.800 1.952 1.00 0.00 C ATOM 366 ND1 HIS A 27 -18.494 -0.510 1.157 1.00 0.00 N ATOM 367 CD2 HIS A 27 -17.905 -1.169 3.154 1.00 0.00 C ATOM 368 CE1 HIS A 27 -19.603 -0.695 1.850 1.00 0.00 C ATOM 369 NE2 HIS A 27 -19.274 -1.095 3.065 1.00 0.00 N ATOM 0 H HIS A 27 -14.305 -3.123 1.103 1.00 0.00 H new ATOM 0 HA HIS A 27 -16.513 -1.823 -0.281 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.316 -0.850 2.313 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -15.814 0.319 1.106 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -17.334 -1.466 4.021 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -20.608 -0.545 1.485 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -19.930 -1.313 3.815 1.00 0.00 H new ATOM 378 N GLN A 28 -14.799 -0.790 -1.726 1.00 0.00 N ATOM 379 CA GLN A 28 -13.791 -0.261 -2.636 1.00 0.00 C ATOM 380 C GLN A 28 -13.601 1.238 -2.425 1.00 0.00 C ATOM 381 O GLN A 28 -13.170 1.952 -3.330 1.00 0.00 O ATOM 382 CB GLN A 28 -14.187 -0.538 -4.087 1.00 0.00 C ATOM 383 CG GLN A 28 -13.885 -1.957 -4.540 1.00 0.00 C ATOM 384 CD GLN A 28 -12.488 -2.103 -5.110 1.00 0.00 C ATOM 385 OE1 GLN A 28 -11.853 -1.118 -5.488 1.00 0.00 O ATOM 386 NE2 GLN A 28 -12.000 -3.336 -5.174 1.00 0.00 N ATOM 0 H GLN A 28 -15.735 -0.857 -2.126 1.00 0.00 H new ATOM 0 HA GLN A 28 -12.847 -0.762 -2.423 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.253 -0.347 -4.207 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -13.663 0.162 -4.738 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.002 -2.636 -3.696 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.614 -2.257 -5.293 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.561 -4.124 -4.850 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.064 -3.495 -5.548 1.00 0.00 H new ATOM 395 N SER A 29 -13.927 1.708 -1.225 1.00 0.00 N ATOM 396 CA SER A 29 -13.796 3.123 -0.897 1.00 0.00 C ATOM 397 C SER A 29 -13.134 3.306 0.465 1.00 0.00 C ATOM 398 O SER A 29 -13.381 4.291 1.161 1.00 0.00 O ATOM 399 CB SER A 29 -15.169 3.798 -0.905 1.00 0.00 C ATOM 400 OG SER A 29 -15.046 5.205 -0.779 1.00 0.00 O ATOM 0 H SER A 29 -14.284 1.130 -0.464 1.00 0.00 H new ATOM 0 HA SER A 29 -13.165 3.590 -1.653 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.691 3.557 -1.831 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.774 3.408 -0.087 1.00 0.00 H new ATOM 0 HG SER A 29 -14.471 5.416 -0.014 1.00 0.00 H new ATOM 406 N VAL A 30 -12.291 2.349 0.840 1.00 0.00 N ATOM 407 CA VAL A 30 -11.592 2.403 2.118 1.00 0.00 C ATOM 408 C VAL A 30 -10.121 2.039 1.955 1.00 0.00 C ATOM 409 O VAL A 30 -9.770 1.174 1.152 1.00 0.00 O ATOM 410 CB VAL A 30 -12.233 1.456 3.149 1.00 0.00 C ATOM 411 CG1 VAL A 30 -11.458 1.487 4.458 1.00 0.00 C ATOM 412 CG2 VAL A 30 -13.692 1.825 3.376 1.00 0.00 C ATOM 0 H VAL A 30 -12.076 1.527 0.276 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.672 3.428 2.479 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.195 0.440 2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -11.926 0.812 5.174 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.430 1.171 4.280 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.462 2.500 4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -14.130 1.146 4.107 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -13.755 2.848 3.748 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -14.238 1.746 2.436 1.00 0.00 H new ATOM 422 N TYR A 31 -9.264 2.702 2.723 1.00 0.00 N ATOM 423 CA TYR A 31 -7.829 2.450 2.664 1.00 0.00 C ATOM 424 C TYR A 31 -7.247 2.281 4.064 1.00 0.00 C ATOM 425 O TYR A 31 -7.146 3.244 4.826 1.00 0.00 O ATOM 426 CB TYR A 31 -7.119 3.593 1.938 1.00 0.00 C ATOM 427 CG TYR A 31 -7.646 3.845 0.543 1.00 0.00 C ATOM 428 CD1 TYR A 31 -7.457 2.915 -0.471 1.00 0.00 C ATOM 429 CD2 TYR A 31 -8.333 5.014 0.240 1.00 0.00 C ATOM 430 CE1 TYR A 31 -7.936 3.141 -1.747 1.00 0.00 C ATOM 431 CE2 TYR A 31 -8.817 5.249 -1.033 1.00 0.00 C ATOM 432 CZ TYR A 31 -8.615 4.309 -2.023 1.00 0.00 C ATOM 433 OH TYR A 31 -9.095 4.538 -3.292 1.00 0.00 O ATOM 0 H TYR A 31 -9.538 3.419 3.395 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.671 1.524 2.111 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.221 4.505 2.526 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.054 3.369 1.880 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.926 1.999 -0.258 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.492 5.752 1.013 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -7.780 2.407 -2.524 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -9.350 6.163 -1.252 1.00 0.00 H new ATOM 0 HH TYR A 31 -8.582 5.261 -3.710 1.00 0.00 H new ATOM 443 N CYS A 32 -6.865 1.053 4.394 1.00 0.00 N ATOM 444 CA CYS A 32 -6.292 0.756 5.703 1.00 0.00 C ATOM 445 C CYS A 32 -4.803 0.449 5.587 1.00 0.00 C ATOM 446 O CYS A 32 -4.308 0.118 4.509 1.00 0.00 O ATOM 447 CB CYS A 32 -7.021 -0.425 6.346 1.00 0.00 C ATOM 448 SG CYS A 32 -6.730 -0.593 8.122 1.00 0.00 S ATOM 0 H CYS A 32 -6.941 0.247 3.774 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.415 1.636 6.335 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.092 -0.315 6.173 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -6.710 -1.344 5.849 1.00 0.00 H new ATOM 0 HG CYS A 32 -7.390 -1.618 8.575 1.00 0.00 H new ATOM 454 N VAL A 33 -4.092 0.562 6.705 1.00 0.00 N ATOM 455 CA VAL A 33 -2.659 0.297 6.729 1.00 0.00 C ATOM 456 C VAL A 33 -2.378 -1.199 6.826 1.00 0.00 C ATOM 457 O VAL A 33 -2.763 -1.852 7.796 1.00 0.00 O ATOM 458 CB VAL A 33 -1.975 1.014 7.909 1.00 0.00 C ATOM 459 CG1 VAL A 33 -2.761 0.797 9.193 1.00 0.00 C ATOM 460 CG2 VAL A 33 -0.541 0.533 8.065 1.00 0.00 C ATOM 0 H VAL A 33 -4.486 0.835 7.605 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.251 0.681 5.794 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.955 2.084 7.700 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.263 1.310 10.016 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.769 1.194 9.074 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.815 -0.270 9.411 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.073 1.050 8.903 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.536 -0.541 8.252 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.015 0.745 7.152 1.00 0.00 H new ATOM 470 N LEU A 34 -1.705 -1.735 5.814 1.00 0.00 N ATOM 471 CA LEU A 34 -1.371 -3.155 5.785 1.00 0.00 C ATOM 472 C LEU A 34 0.140 -3.359 5.757 1.00 0.00 C ATOM 473 O LEU A 34 0.895 -2.447 5.418 1.00 0.00 O ATOM 474 CB LEU A 34 -2.010 -3.824 4.566 1.00 0.00 C ATOM 475 CG LEU A 34 -3.522 -3.646 4.419 1.00 0.00 C ATOM 476 CD1 LEU A 34 -3.931 -3.748 2.957 1.00 0.00 C ATOM 477 CD2 LEU A 34 -4.264 -4.678 5.255 1.00 0.00 C ATOM 0 H LEU A 34 -1.380 -1.208 5.003 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.764 -3.614 6.692 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.529 -3.434 3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.792 -4.891 4.606 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.789 -2.654 4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.010 -3.619 2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.426 -2.971 2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.651 -4.727 2.568 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.338 -4.536 5.138 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.992 -5.680 4.922 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.994 -4.558 6.304 1.00 0.00 H new ATOM 489 N THR A 35 0.577 -4.563 6.113 1.00 0.00 N ATOM 490 CA THR A 35 1.997 -4.887 6.128 1.00 0.00 C ATOM 491 C THR A 35 2.260 -6.239 5.473 1.00 0.00 C ATOM 492 O THR A 35 1.668 -7.249 5.853 1.00 0.00 O ATOM 493 CB THR A 35 2.553 -4.910 7.565 1.00 0.00 C ATOM 494 OG1 THR A 35 2.217 -3.692 8.239 1.00 0.00 O ATOM 495 CG2 THR A 35 4.064 -5.090 7.558 1.00 0.00 C ATOM 0 H THR A 35 -0.033 -5.330 6.395 1.00 0.00 H new ATOM 0 HA THR A 35 2.505 -4.106 5.561 1.00 0.00 H new ATOM 0 HB THR A 35 2.105 -5.753 8.091 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.572 -3.715 9.152 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.434 -5.103 8.583 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.316 -6.031 7.069 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.526 -4.265 7.016 1.00 0.00 H new ATOM 503 N VAL A 36 3.151 -6.250 4.487 1.00 0.00 N ATOM 504 CA VAL A 36 3.493 -7.478 3.780 1.00 0.00 C ATOM 505 C VAL A 36 3.962 -8.558 4.749 1.00 0.00 C ATOM 506 O VAL A 36 5.067 -8.488 5.284 1.00 0.00 O ATOM 507 CB VAL A 36 4.593 -7.233 2.730 1.00 0.00 C ATOM 508 CG1 VAL A 36 4.913 -8.519 1.982 1.00 0.00 C ATOM 509 CG2 VAL A 36 4.173 -6.135 1.765 1.00 0.00 C ATOM 0 H VAL A 36 3.649 -5.422 4.160 1.00 0.00 H new ATOM 0 HA VAL A 36 2.588 -7.815 3.275 1.00 0.00 H new ATOM 0 HB VAL A 36 5.497 -6.906 3.245 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.692 -8.327 1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.260 -9.274 2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.016 -8.879 1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.962 -5.975 1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.256 -6.430 1.255 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.999 -5.212 2.318 1.00 0.00 H new ATOM 519 N ALA A 37 3.112 -9.556 4.969 1.00 0.00 N ATOM 520 CA ALA A 37 3.440 -10.653 5.871 1.00 0.00 C ATOM 521 C ALA A 37 4.062 -11.821 5.113 1.00 0.00 C ATOM 522 O ALA A 37 4.900 -12.544 5.650 1.00 0.00 O ATOM 523 CB ALA A 37 2.197 -11.109 6.621 1.00 0.00 C ATOM 0 H ALA A 37 2.192 -9.627 4.535 1.00 0.00 H new ATOM 0 HA ALA A 37 4.173 -10.291 6.592 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.457 -11.929 7.291 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.797 -10.278 7.202 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.445 -11.448 5.908 1.00 0.00 H new ATOM 529 N GLU A 38 3.645 -11.998 3.864 1.00 0.00 N ATOM 530 CA GLU A 38 4.161 -13.080 3.033 1.00 0.00 C ATOM 531 C GLU A 38 4.061 -12.725 1.553 1.00 0.00 C ATOM 532 O GLU A 38 3.237 -11.901 1.155 1.00 0.00 O ATOM 533 CB GLU A 38 3.396 -14.376 3.311 1.00 0.00 C ATOM 534 CG GLU A 38 4.138 -15.627 2.873 1.00 0.00 C ATOM 535 CD GLU A 38 3.293 -16.880 2.996 1.00 0.00 C ATOM 536 OE1 GLU A 38 2.780 -17.142 4.104 1.00 0.00 O ATOM 537 OE2 GLU A 38 3.145 -17.598 1.986 1.00 0.00 O ATOM 0 H GLU A 38 2.952 -11.407 3.405 1.00 0.00 H new ATOM 0 HA GLU A 38 5.212 -13.226 3.283 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.187 -14.443 4.379 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.434 -14.337 2.800 1.00 0.00 H new ATOM 0 HG2 GLU A 38 4.460 -15.510 1.838 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.039 -15.740 3.476 1.00 0.00 H new ATOM 544 N VAL A 39 4.905 -13.353 0.741 1.00 0.00 N ATOM 545 CA VAL A 39 4.912 -13.105 -0.696 1.00 0.00 C ATOM 546 C VAL A 39 5.104 -14.400 -1.477 1.00 0.00 C ATOM 547 O VAL A 39 6.049 -15.150 -1.232 1.00 0.00 O ATOM 548 CB VAL A 39 6.023 -12.113 -1.089 1.00 0.00 C ATOM 549 CG1 VAL A 39 6.005 -11.857 -2.588 1.00 0.00 C ATOM 550 CG2 VAL A 39 5.873 -10.811 -0.315 1.00 0.00 C ATOM 0 H VAL A 39 5.593 -14.038 1.054 1.00 0.00 H new ATOM 0 HA VAL A 39 3.943 -12.673 -0.947 1.00 0.00 H new ATOM 0 HB VAL A 39 6.987 -12.553 -0.832 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.797 -11.154 -2.847 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.165 -12.795 -3.119 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.040 -11.438 -2.874 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.666 -10.122 -0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.904 -10.364 -0.539 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.941 -11.013 0.754 1.00 0.00 H new ATOM 560 N CYS A 40 4.201 -14.656 -2.417 1.00 0.00 N ATOM 561 CA CYS A 40 4.270 -15.862 -3.235 1.00 0.00 C ATOM 562 C CYS A 40 3.617 -15.635 -4.594 1.00 0.00 C ATOM 563 O CYS A 40 2.725 -14.799 -4.734 1.00 0.00 O ATOM 564 CB CYS A 40 3.591 -17.029 -2.517 1.00 0.00 C ATOM 565 SG CYS A 40 4.060 -18.657 -3.149 1.00 0.00 S ATOM 0 H CYS A 40 3.413 -14.045 -2.632 1.00 0.00 H new ATOM 0 HA CYS A 40 5.321 -16.105 -3.394 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.834 -16.979 -1.456 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.510 -16.915 -2.603 1.00 0.00 H new ATOM 0 HG CYS A 40 3.436 -19.579 -2.478 1.00 0.00 H new ATOM 571 N GLY A 41 4.068 -16.385 -5.595 1.00 0.00 N ATOM 572 CA GLY A 41 3.517 -16.250 -6.931 1.00 0.00 C ATOM 573 C GLY A 41 3.176 -14.813 -7.274 1.00 0.00 C ATOM 574 O GLY A 41 3.788 -13.881 -6.753 1.00 0.00 O ATOM 0 H GLY A 41 4.805 -17.084 -5.505 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.234 -16.633 -7.657 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.620 -16.863 -7.015 1.00 0.00 H new ATOM 578 N TYR A 42 2.197 -14.634 -8.154 1.00 0.00 N ATOM 579 CA TYR A 42 1.778 -13.301 -8.569 1.00 0.00 C ATOM 580 C TYR A 42 0.770 -12.715 -7.585 1.00 0.00 C ATOM 581 O TYR A 42 -0.240 -12.135 -7.985 1.00 0.00 O ATOM 582 CB TYR A 42 1.169 -13.349 -9.972 1.00 0.00 C ATOM 583 CG TYR A 42 1.471 -12.124 -10.805 1.00 0.00 C ATOM 584 CD1 TYR A 42 0.903 -10.894 -10.500 1.00 0.00 C ATOM 585 CD2 TYR A 42 2.326 -12.197 -11.898 1.00 0.00 C ATOM 586 CE1 TYR A 42 1.175 -9.772 -11.259 1.00 0.00 C ATOM 587 CE2 TYR A 42 2.605 -11.081 -12.663 1.00 0.00 C ATOM 588 CZ TYR A 42 2.027 -9.871 -12.339 1.00 0.00 C ATOM 589 OH TYR A 42 2.302 -8.756 -13.097 1.00 0.00 O ATOM 0 H TYR A 42 1.679 -15.395 -8.593 1.00 0.00 H new ATOM 0 HA TYR A 42 2.659 -12.659 -8.584 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.542 -14.232 -10.491 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.088 -13.462 -9.886 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.236 -10.813 -9.654 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.780 -13.143 -12.154 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.723 -8.824 -11.008 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.272 -11.155 -13.510 1.00 0.00 H new ATOM 0 HH TYR A 42 2.920 -8.995 -13.819 1.00 0.00 H new ATOM 599 N ARG A 43 1.053 -12.871 -6.296 1.00 0.00 N ATOM 600 CA ARG A 43 0.172 -12.358 -5.253 1.00 0.00 C ATOM 601 C ARG A 43 0.963 -12.011 -3.995 1.00 0.00 C ATOM 602 O ARG A 43 2.115 -12.421 -3.842 1.00 0.00 O ATOM 603 CB ARG A 43 -0.911 -13.386 -4.920 1.00 0.00 C ATOM 604 CG ARG A 43 -2.088 -13.363 -5.881 1.00 0.00 C ATOM 605 CD ARG A 43 -2.968 -14.592 -5.714 1.00 0.00 C ATOM 606 NE ARG A 43 -3.988 -14.399 -4.687 1.00 0.00 N ATOM 607 CZ ARG A 43 -5.150 -13.795 -4.910 1.00 0.00 C ATOM 608 NH1 ARG A 43 -5.437 -13.327 -6.117 1.00 0.00 N ATOM 609 NH2 ARG A 43 -6.028 -13.657 -3.924 1.00 0.00 N ATOM 0 H ARG A 43 1.885 -13.348 -5.949 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.301 -11.450 -5.626 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.468 -14.382 -4.925 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.275 -13.204 -3.909 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.681 -12.464 -5.711 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.721 -13.313 -6.906 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.449 -14.825 -6.664 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.348 -15.449 -5.452 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.798 -14.747 -3.747 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.765 -13.430 -6.877 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.330 -12.864 -6.285 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.811 -14.015 -2.994 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.920 -13.193 -4.096 1.00 0.00 H new ATOM 623 N ILE A 44 0.338 -11.255 -3.099 1.00 0.00 N ATOM 624 CA ILE A 44 0.984 -10.854 -1.855 1.00 0.00 C ATOM 625 C ILE A 44 0.003 -10.897 -0.688 1.00 0.00 C ATOM 626 O ILE A 44 -1.169 -10.550 -0.835 1.00 0.00 O ATOM 627 CB ILE A 44 1.578 -9.437 -1.960 1.00 0.00 C ATOM 628 CG1 ILE A 44 0.498 -8.438 -2.383 1.00 0.00 C ATOM 629 CG2 ILE A 44 2.737 -9.420 -2.945 1.00 0.00 C ATOM 630 CD1 ILE A 44 0.885 -6.995 -2.147 1.00 0.00 C ATOM 0 H ILE A 44 -0.615 -10.908 -3.211 1.00 0.00 H new ATOM 0 HA ILE A 44 1.791 -11.564 -1.675 1.00 0.00 H new ATOM 0 HB ILE A 44 1.955 -9.144 -0.980 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.279 -8.579 -3.441 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.420 -8.654 -1.836 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.146 -8.412 -3.008 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.513 -10.106 -2.605 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.383 -9.730 -3.928 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.073 -6.343 -2.470 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.076 -6.838 -1.085 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.785 -6.762 -2.716 1.00 0.00 H new ATOM 642 N LYS A 45 0.491 -11.324 0.472 1.00 0.00 N ATOM 643 CA LYS A 45 -0.340 -11.410 1.666 1.00 0.00 C ATOM 644 C LYS A 45 -0.539 -10.033 2.291 1.00 0.00 C ATOM 645 O LYS A 45 0.404 -9.249 2.403 1.00 0.00 O ATOM 646 CB LYS A 45 0.294 -12.358 2.687 1.00 0.00 C ATOM 647 CG LYS A 45 -0.611 -12.677 3.865 1.00 0.00 C ATOM 648 CD LYS A 45 -0.075 -13.842 4.680 1.00 0.00 C ATOM 649 CE LYS A 45 -1.058 -14.264 5.761 1.00 0.00 C ATOM 650 NZ LYS A 45 -1.044 -13.329 6.920 1.00 0.00 N ATOM 0 H LYS A 45 1.459 -11.616 0.610 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.314 -11.801 1.372 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.567 -13.287 2.187 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.217 -11.913 3.059 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.704 -11.798 4.503 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.611 -12.915 3.503 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.127 -14.686 4.021 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.873 -13.561 5.138 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.063 -14.307 5.341 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.812 -15.269 6.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.727 -13.652 7.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.091 -13.307 7.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.303 -12.374 6.599 1.00 0.00 H new ATOM 664 N LEU A 46 -1.771 -9.745 2.698 1.00 0.00 N ATOM 665 CA LEU A 46 -2.093 -8.462 3.313 1.00 0.00 C ATOM 666 C LEU A 46 -2.520 -8.647 4.766 1.00 0.00 C ATOM 667 O LEU A 46 -3.500 -9.334 5.053 1.00 0.00 O ATOM 668 CB LEU A 46 -3.204 -7.762 2.528 1.00 0.00 C ATOM 669 CG LEU A 46 -2.804 -7.181 1.172 1.00 0.00 C ATOM 670 CD1 LEU A 46 -1.695 -6.153 1.337 1.00 0.00 C ATOM 671 CD2 LEU A 46 -2.368 -8.290 0.224 1.00 0.00 C ATOM 0 H LEU A 46 -2.563 -10.382 2.613 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.197 -7.842 3.293 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.014 -8.474 2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.603 -6.955 3.143 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.673 -6.682 0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.424 -5.751 0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.042 -5.344 1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.824 -6.627 1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.087 -7.858 -0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.514 -8.817 0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.191 -8.990 0.080 1.00 0.00 H new ATOM 683 N HIS A 47 -1.778 -8.027 5.679 1.00 0.00 N ATOM 684 CA HIS A 47 -2.082 -8.121 7.102 1.00 0.00 C ATOM 685 C HIS A 47 -2.545 -6.774 7.649 1.00 0.00 C ATOM 686 O HIS A 47 -2.021 -5.726 7.272 1.00 0.00 O ATOM 687 CB HIS A 47 -0.855 -8.604 7.876 1.00 0.00 C ATOM 688 CG HIS A 47 -0.928 -8.330 9.347 1.00 0.00 C ATOM 689 ND1 HIS A 47 -1.443 -9.230 10.256 1.00 0.00 N ATOM 690 CD2 HIS A 47 -0.546 -7.249 10.065 1.00 0.00 C ATOM 691 CE1 HIS A 47 -1.376 -8.714 11.470 1.00 0.00 C ATOM 692 NE2 HIS A 47 -0.835 -7.512 11.382 1.00 0.00 N ATOM 0 H HIS A 47 -0.963 -7.455 5.458 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.890 -8.842 7.229 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.736 -9.676 7.720 1.00 0.00 H new ATOM 0 HB3 HIS A 47 0.034 -8.122 7.469 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -0.097 -6.347 9.675 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -1.707 -9.193 12.380 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -0.660 -6.882 12.165 1.00 0.00 H new ATOM 701 N PHE A 48 -3.531 -6.810 8.539 1.00 0.00 N ATOM 702 CA PHE A 48 -4.066 -5.592 9.137 1.00 0.00 C ATOM 703 C PHE A 48 -3.302 -5.228 10.406 1.00 0.00 C ATOM 704 O PHE A 48 -3.334 -5.961 11.395 1.00 0.00 O ATOM 705 CB PHE A 48 -5.553 -5.765 9.455 1.00 0.00 C ATOM 706 CG PHE A 48 -6.438 -5.690 8.244 1.00 0.00 C ATOM 707 CD1 PHE A 48 -6.894 -4.467 7.778 1.00 0.00 C ATOM 708 CD2 PHE A 48 -6.813 -6.841 7.570 1.00 0.00 C ATOM 709 CE1 PHE A 48 -7.709 -4.395 6.664 1.00 0.00 C ATOM 710 CE2 PHE A 48 -7.628 -6.775 6.456 1.00 0.00 C ATOM 711 CZ PHE A 48 -8.075 -5.550 6.002 1.00 0.00 C ATOM 0 H PHE A 48 -3.976 -7.669 8.862 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.947 -4.782 8.418 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.702 -6.727 9.945 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.856 -4.996 10.165 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.609 -3.560 8.291 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.464 -7.801 7.920 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -8.059 -3.436 6.312 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.915 -7.680 5.941 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.710 -5.495 5.130 1.00 0.00 H new ATOM 721 N ASP A 49 -2.616 -4.091 10.370 1.00 0.00 N ATOM 722 CA ASP A 49 -1.843 -3.628 11.517 1.00 0.00 C ATOM 723 C ASP A 49 -2.631 -3.807 12.811 1.00 0.00 C ATOM 724 O ASP A 49 -3.627 -3.123 13.043 1.00 0.00 O ATOM 725 CB ASP A 49 -1.457 -2.159 11.340 1.00 0.00 C ATOM 726 CG ASP A 49 -0.254 -1.771 12.177 1.00 0.00 C ATOM 727 OD1 ASP A 49 0.790 -2.447 12.065 1.00 0.00 O ATOM 728 OD2 ASP A 49 -0.356 -0.791 12.943 1.00 0.00 O ATOM 0 H ASP A 49 -2.579 -3.473 9.559 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.936 -4.229 11.579 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.242 -1.967 10.289 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.304 -1.529 11.612 1.00 0.00 H new ATOM 733 N GLY A 50 -2.177 -4.732 13.652 1.00 0.00 N ATOM 734 CA GLY A 50 -2.853 -4.985 14.911 1.00 0.00 C ATOM 735 C GLY A 50 -3.914 -6.061 14.794 1.00 0.00 C ATOM 736 O GLY A 50 -3.783 -7.138 15.375 1.00 0.00 O ATOM 0 H GLY A 50 -1.354 -5.310 13.484 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.119 -5.283 15.660 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.313 -4.062 15.264 1.00 0.00 H new ATOM 740 N TYR A 51 -4.970 -5.768 14.042 1.00 0.00 N ATOM 741 CA TYR A 51 -6.060 -6.717 13.855 1.00 0.00 C ATOM 742 C TYR A 51 -5.530 -8.144 13.752 1.00 0.00 C ATOM 743 O TYR A 51 -4.378 -8.365 13.377 1.00 0.00 O ATOM 744 CB TYR A 51 -6.859 -6.367 12.598 1.00 0.00 C ATOM 745 CG TYR A 51 -7.746 -5.153 12.763 1.00 0.00 C ATOM 746 CD1 TYR A 51 -9.050 -5.280 13.225 1.00 0.00 C ATOM 747 CD2 TYR A 51 -7.280 -3.881 12.456 1.00 0.00 C ATOM 748 CE1 TYR A 51 -9.865 -4.175 13.377 1.00 0.00 C ATOM 749 CE2 TYR A 51 -8.087 -2.770 12.606 1.00 0.00 C ATOM 750 CZ TYR A 51 -9.378 -2.922 13.067 1.00 0.00 C ATOM 751 OH TYR A 51 -10.186 -1.817 13.216 1.00 0.00 O ATOM 0 H TYR A 51 -5.093 -4.882 13.553 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.715 -6.654 14.724 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.167 -6.192 11.775 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.475 -7.222 12.320 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -9.433 -6.260 13.470 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.270 -3.759 12.094 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -10.877 -4.291 13.736 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.709 -1.788 12.364 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.691 -1.012 12.956 1.00 0.00 H new ATOM 761 N SER A 52 -6.379 -9.110 14.087 1.00 0.00 N ATOM 762 CA SER A 52 -5.996 -10.516 14.036 1.00 0.00 C ATOM 763 C SER A 52 -5.522 -10.900 12.638 1.00 0.00 C ATOM 764 O SER A 52 -6.033 -10.397 11.637 1.00 0.00 O ATOM 765 CB SER A 52 -7.173 -11.402 14.449 1.00 0.00 C ATOM 766 OG SER A 52 -6.721 -12.601 15.055 1.00 0.00 O ATOM 0 H SER A 52 -7.337 -8.945 14.397 1.00 0.00 H new ATOM 0 HA SER A 52 -5.173 -10.668 14.734 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.815 -10.859 15.143 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.778 -11.639 13.574 1.00 0.00 H new ATOM 0 HG SER A 52 -7.492 -13.149 15.311 1.00 0.00 H new ATOM 772 N ASP A 53 -4.541 -11.794 12.577 1.00 0.00 N ATOM 773 CA ASP A 53 -3.997 -12.247 11.302 1.00 0.00 C ATOM 774 C ASP A 53 -4.831 -13.389 10.731 1.00 0.00 C ATOM 775 O ASP A 53 -4.298 -14.308 10.107 1.00 0.00 O ATOM 776 CB ASP A 53 -2.545 -12.695 11.474 1.00 0.00 C ATOM 777 CG ASP A 53 -2.405 -13.845 12.451 1.00 0.00 C ATOM 778 OD1 ASP A 53 -3.081 -14.877 12.253 1.00 0.00 O ATOM 779 OD2 ASP A 53 -1.622 -13.714 13.415 1.00 0.00 O ATOM 0 H ASP A 53 -4.106 -12.219 13.396 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.031 -11.412 10.602 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.143 -12.994 10.506 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.947 -11.853 11.821 1.00 0.00 H new ATOM 784 N CYS A 54 -6.140 -13.326 10.949 1.00 0.00 N ATOM 785 CA CYS A 54 -7.047 -14.356 10.457 1.00 0.00 C ATOM 786 C CYS A 54 -7.742 -13.903 9.177 1.00 0.00 C ATOM 787 O CYS A 54 -7.981 -14.703 8.272 1.00 0.00 O ATOM 788 CB CYS A 54 -8.089 -14.699 11.523 1.00 0.00 C ATOM 789 SG CYS A 54 -8.739 -16.382 11.406 1.00 0.00 S ATOM 0 H CYS A 54 -6.596 -12.573 11.463 1.00 0.00 H new ATOM 0 HA CYS A 54 -6.459 -15.246 10.234 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.644 -14.561 12.508 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.917 -13.995 11.446 1.00 0.00 H new ATOM 0 HG CYS A 54 -9.611 -16.577 12.350 1.00 0.00 H new ATOM 795 N TYR A 55 -8.064 -12.617 9.108 1.00 0.00 N ATOM 796 CA TYR A 55 -8.735 -12.058 7.941 1.00 0.00 C ATOM 797 C TYR A 55 -7.723 -11.657 6.871 1.00 0.00 C ATOM 798 O TYR A 55 -7.878 -10.631 6.208 1.00 0.00 O ATOM 799 CB TYR A 55 -9.577 -10.846 8.342 1.00 0.00 C ATOM 800 CG TYR A 55 -10.419 -11.076 9.576 1.00 0.00 C ATOM 801 CD1 TYR A 55 -9.913 -10.818 10.844 1.00 0.00 C ATOM 802 CD2 TYR A 55 -11.721 -11.551 9.474 1.00 0.00 C ATOM 803 CE1 TYR A 55 -10.679 -11.027 11.975 1.00 0.00 C ATOM 804 CE2 TYR A 55 -12.494 -11.762 10.600 1.00 0.00 C ATOM 805 CZ TYR A 55 -11.969 -11.499 11.847 1.00 0.00 C ATOM 806 OH TYR A 55 -12.735 -11.709 12.971 1.00 0.00 O ATOM 0 H TYR A 55 -7.871 -11.941 9.847 1.00 0.00 H new ATOM 0 HA TYR A 55 -9.389 -12.825 7.528 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.916 -9.997 8.516 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -10.230 -10.577 7.512 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -8.904 -10.448 10.947 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -12.136 -11.759 8.499 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -10.270 -10.822 12.953 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -13.504 -12.131 10.503 1.00 0.00 H new ATOM 0 HH TYR A 55 -13.618 -12.041 12.707 1.00 0.00 H new ATOM 816 N ASP A 56 -6.688 -12.474 6.709 1.00 0.00 N ATOM 817 CA ASP A 56 -5.651 -12.207 5.719 1.00 0.00 C ATOM 818 C ASP A 56 -6.165 -12.473 4.308 1.00 0.00 C ATOM 819 O ASP A 56 -6.730 -13.531 4.031 1.00 0.00 O ATOM 820 CB ASP A 56 -4.418 -13.067 5.997 1.00 0.00 C ATOM 821 CG ASP A 56 -4.770 -14.521 6.245 1.00 0.00 C ATOM 822 OD1 ASP A 56 -4.925 -15.271 5.258 1.00 0.00 O ATOM 823 OD2 ASP A 56 -4.890 -14.909 7.425 1.00 0.00 O ATOM 0 H ASP A 56 -6.545 -13.327 7.250 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.375 -11.155 5.793 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.734 -13.001 5.151 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.890 -12.671 6.865 1.00 0.00 H new ATOM 828 N PHE A 57 -5.966 -11.506 3.419 1.00 0.00 N ATOM 829 CA PHE A 57 -6.412 -11.635 2.036 1.00 0.00 C ATOM 830 C PHE A 57 -5.292 -11.264 1.068 1.00 0.00 C ATOM 831 O PHE A 57 -4.697 -10.192 1.172 1.00 0.00 O ATOM 832 CB PHE A 57 -7.633 -10.747 1.787 1.00 0.00 C ATOM 833 CG PHE A 57 -7.337 -9.278 1.889 1.00 0.00 C ATOM 834 CD1 PHE A 57 -7.257 -8.658 3.126 1.00 0.00 C ATOM 835 CD2 PHE A 57 -7.138 -8.517 0.749 1.00 0.00 C ATOM 836 CE1 PHE A 57 -6.986 -7.307 3.223 1.00 0.00 C ATOM 837 CE2 PHE A 57 -6.866 -7.164 0.839 1.00 0.00 C ATOM 838 CZ PHE A 57 -6.789 -6.559 2.078 1.00 0.00 C ATOM 0 H PHE A 57 -5.499 -10.624 3.631 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.688 -12.675 1.864 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.032 -10.961 0.795 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.411 -11.003 2.506 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -7.408 -9.238 4.024 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -7.196 -8.986 -0.222 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.928 -6.836 4.193 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -6.714 -6.582 -0.058 1.00 0.00 H new ATOM 0 HZ PHE A 57 -6.575 -5.503 2.152 1.00 0.00 H new ATOM 848 N TRP A 58 -5.013 -12.158 0.126 1.00 0.00 N ATOM 849 CA TRP A 58 -3.965 -11.925 -0.861 1.00 0.00 C ATOM 850 C TRP A 58 -4.504 -11.143 -2.054 1.00 0.00 C ATOM 851 O TRP A 58 -5.482 -11.548 -2.683 1.00 0.00 O ATOM 852 CB TRP A 58 -3.376 -13.256 -1.332 1.00 0.00 C ATOM 853 CG TRP A 58 -2.622 -13.984 -0.261 1.00 0.00 C ATOM 854 CD1 TRP A 58 -3.111 -14.408 0.941 1.00 0.00 C ATOM 855 CD2 TRP A 58 -1.244 -14.372 -0.296 1.00 0.00 C ATOM 856 NE1 TRP A 58 -2.120 -15.036 1.656 1.00 0.00 N ATOM 857 CE2 TRP A 58 -0.965 -15.028 0.919 1.00 0.00 C ATOM 858 CE3 TRP A 58 -0.219 -14.231 -1.235 1.00 0.00 C ATOM 859 CZ2 TRP A 58 0.295 -15.539 1.217 1.00 0.00 C ATOM 860 CZ3 TRP A 58 1.032 -14.738 -0.938 1.00 0.00 C ATOM 861 CH2 TRP A 58 1.280 -15.386 0.279 1.00 0.00 C ATOM 0 H TRP A 58 -5.497 -13.050 0.025 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.180 -11.334 -0.389 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.182 -13.893 -1.696 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -2.710 -13.072 -2.175 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.127 -14.270 1.280 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.227 -15.443 2.585 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.401 -13.734 -2.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.489 -16.038 2.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.832 -14.633 -1.656 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.268 -15.773 0.481 1.00 0.00 H new ATOM 872 N VAL A 59 -3.861 -10.021 -2.360 1.00 0.00 N ATOM 873 CA VAL A 59 -4.276 -9.183 -3.478 1.00 0.00 C ATOM 874 C VAL A 59 -3.379 -9.402 -4.692 1.00 0.00 C ATOM 875 O VAL A 59 -2.381 -10.116 -4.617 1.00 0.00 O ATOM 876 CB VAL A 59 -4.252 -7.690 -3.100 1.00 0.00 C ATOM 877 CG1 VAL A 59 -5.081 -7.443 -1.849 1.00 0.00 C ATOM 878 CG2 VAL A 59 -2.821 -7.213 -2.904 1.00 0.00 C ATOM 0 H VAL A 59 -3.050 -9.671 -1.849 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.297 -9.471 -3.727 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.692 -7.119 -3.917 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.052 -6.383 -1.597 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.112 -7.745 -2.030 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.673 -8.024 -1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.823 -6.156 -2.637 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.352 -7.788 -2.105 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.261 -7.353 -3.829 1.00 0.00 H new ATOM 888 N ASN A 60 -3.744 -8.782 -5.810 1.00 0.00 N ATOM 889 CA ASN A 60 -2.972 -8.910 -7.040 1.00 0.00 C ATOM 890 C ASN A 60 -1.703 -8.067 -6.977 1.00 0.00 C ATOM 891 O ASN A 60 -1.761 -6.854 -6.774 1.00 0.00 O ATOM 892 CB ASN A 60 -3.819 -8.488 -8.243 1.00 0.00 C ATOM 893 CG ASN A 60 -5.224 -9.055 -8.189 1.00 0.00 C ATOM 894 OD1 ASN A 60 -5.418 -10.270 -8.235 1.00 0.00 O ATOM 895 ND2 ASN A 60 -6.213 -8.174 -8.090 1.00 0.00 N ATOM 0 H ASN A 60 -4.569 -8.187 -5.889 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.686 -9.956 -7.153 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.871 -7.400 -8.284 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.332 -8.818 -9.160 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.180 -8.495 -8.049 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.005 -7.176 -8.055 1.00 0.00 H new ATOM 902 N ALA A 61 -0.557 -8.717 -7.152 1.00 0.00 N ATOM 903 CA ALA A 61 0.726 -8.027 -7.117 1.00 0.00 C ATOM 904 C ALA A 61 0.684 -6.747 -7.945 1.00 0.00 C ATOM 905 O ALA A 61 1.413 -5.794 -7.670 1.00 0.00 O ATOM 906 CB ALA A 61 1.833 -8.944 -7.617 1.00 0.00 C ATOM 0 H ALA A 61 -0.491 -9.721 -7.319 1.00 0.00 H new ATOM 0 HA ALA A 61 0.935 -7.754 -6.083 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.786 -8.415 -7.585 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.888 -9.828 -6.982 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.620 -9.246 -8.642 1.00 0.00 H new ATOM 912 N ASP A 62 -0.173 -6.732 -8.960 1.00 0.00 N ATOM 913 CA ASP A 62 -0.311 -5.569 -9.828 1.00 0.00 C ATOM 914 C ASP A 62 -1.703 -4.959 -9.703 1.00 0.00 C ATOM 915 O ASP A 62 -2.311 -4.566 -10.698 1.00 0.00 O ATOM 916 CB ASP A 62 -0.039 -5.956 -11.283 1.00 0.00 C ATOM 917 CG ASP A 62 -1.255 -6.558 -11.958 1.00 0.00 C ATOM 918 OD1 ASP A 62 -1.600 -7.714 -11.637 1.00 0.00 O ATOM 919 OD2 ASP A 62 -1.861 -5.874 -12.810 1.00 0.00 O ATOM 0 H ASP A 62 -0.783 -7.513 -9.202 1.00 0.00 H new ATOM 0 HA ASP A 62 0.421 -4.825 -9.515 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.281 -5.074 -11.837 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.784 -6.670 -11.318 1.00 0.00 H new ATOM 924 N ALA A 63 -2.203 -4.884 -8.474 1.00 0.00 N ATOM 925 CA ALA A 63 -3.523 -4.321 -8.218 1.00 0.00 C ATOM 926 C ALA A 63 -3.487 -2.797 -8.256 1.00 0.00 C ATOM 927 O ALA A 63 -2.420 -2.189 -8.157 1.00 0.00 O ATOM 928 CB ALA A 63 -4.053 -4.806 -6.877 1.00 0.00 C ATOM 0 H ALA A 63 -1.713 -5.206 -7.639 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.195 -4.662 -9.006 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.039 -4.378 -6.699 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.126 -5.894 -6.886 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.374 -4.495 -6.083 1.00 0.00 H new ATOM 934 N LEU A 64 -4.657 -2.186 -8.400 1.00 0.00 N ATOM 935 CA LEU A 64 -4.760 -0.732 -8.451 1.00 0.00 C ATOM 936 C LEU A 64 -5.218 -0.170 -7.109 1.00 0.00 C ATOM 937 O LEU A 64 -4.771 0.895 -6.685 1.00 0.00 O ATOM 938 CB LEU A 64 -5.732 -0.308 -9.554 1.00 0.00 C ATOM 939 CG LEU A 64 -5.510 -0.945 -10.926 1.00 0.00 C ATOM 940 CD1 LEU A 64 -6.746 -0.782 -11.796 1.00 0.00 C ATOM 941 CD2 LEU A 64 -4.292 -0.336 -11.606 1.00 0.00 C ATOM 0 H LEU A 64 -5.548 -2.675 -8.484 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.771 -0.330 -8.673 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.745 -0.541 -9.227 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.674 0.775 -9.665 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.328 -2.010 -10.786 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.570 -1.241 -12.769 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.596 -1.266 -11.315 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.960 0.278 -11.929 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.149 -0.801 -12.581 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.445 0.736 -11.734 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.409 -0.506 -10.990 1.00 0.00 H new ATOM 953 N ASP A 65 -6.111 -0.896 -6.445 1.00 0.00 N ATOM 954 CA ASP A 65 -6.628 -0.472 -5.149 1.00 0.00 C ATOM 955 C ASP A 65 -5.488 -0.173 -4.180 1.00 0.00 C ATOM 956 O ASP A 65 -5.509 0.836 -3.474 1.00 0.00 O ATOM 957 CB ASP A 65 -7.542 -1.550 -4.563 1.00 0.00 C ATOM 958 CG ASP A 65 -8.272 -2.335 -5.635 1.00 0.00 C ATOM 959 OD1 ASP A 65 -8.712 -1.718 -6.627 1.00 0.00 O ATOM 960 OD2 ASP A 65 -8.402 -3.568 -5.482 1.00 0.00 O ATOM 0 H ASP A 65 -6.492 -1.780 -6.783 1.00 0.00 H new ATOM 0 HA ASP A 65 -7.204 0.441 -5.297 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.949 -2.234 -3.956 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.270 -1.084 -3.899 1.00 0.00 H new ATOM 965 N ILE A 66 -4.496 -1.056 -4.152 1.00 0.00 N ATOM 966 CA ILE A 66 -3.348 -0.886 -3.270 1.00 0.00 C ATOM 967 C ILE A 66 -2.543 0.353 -3.648 1.00 0.00 C ATOM 968 O ILE A 66 -2.561 0.791 -4.799 1.00 0.00 O ATOM 969 CB ILE A 66 -2.422 -2.117 -3.307 1.00 0.00 C ATOM 970 CG1 ILE A 66 -1.851 -2.310 -4.714 1.00 0.00 C ATOM 971 CG2 ILE A 66 -3.176 -3.360 -2.860 1.00 0.00 C ATOM 972 CD1 ILE A 66 -0.761 -3.356 -4.784 1.00 0.00 C ATOM 0 H ILE A 66 -4.464 -1.896 -4.730 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.741 -0.767 -2.260 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.593 -1.952 -2.618 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.658 -2.592 -5.390 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.455 -1.359 -5.070 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.509 -4.221 -2.891 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.539 -3.219 -1.842 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.022 -3.532 -3.526 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.403 -3.440 -5.810 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.064 -3.065 -4.134 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.158 -4.318 -4.458 1.00 0.00 H new ATOM 984 N HIS A 67 -1.836 0.913 -2.671 1.00 0.00 N ATOM 985 CA HIS A 67 -1.022 2.101 -2.902 1.00 0.00 C ATOM 986 C HIS A 67 0.113 2.188 -1.885 1.00 0.00 C ATOM 987 O HIS A 67 0.019 1.676 -0.769 1.00 0.00 O ATOM 988 CB HIS A 67 -1.886 3.360 -2.828 1.00 0.00 C ATOM 989 CG HIS A 67 -2.696 3.604 -4.064 1.00 0.00 C ATOM 990 ND1 HIS A 67 -2.148 4.061 -5.244 1.00 0.00 N ATOM 991 CD2 HIS A 67 -4.020 3.451 -4.300 1.00 0.00 C ATOM 992 CE1 HIS A 67 -3.101 4.180 -6.152 1.00 0.00 C ATOM 993 NE2 HIS A 67 -4.246 3.815 -5.604 1.00 0.00 N ATOM 0 H HIS A 67 -1.811 0.564 -1.713 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.588 2.026 -3.899 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.558 3.280 -1.973 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.243 4.222 -2.649 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -4.761 3.107 -3.594 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.966 4.518 -7.169 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.151 3.805 -6.074 1.00 0.00 H new ATOM 1002 N PRO A 68 1.211 2.851 -2.278 1.00 0.00 N ATOM 1003 CA PRO A 68 2.384 3.020 -1.415 1.00 0.00 C ATOM 1004 C PRO A 68 2.114 3.962 -0.247 1.00 0.00 C ATOM 1005 O PRO A 68 1.145 4.721 -0.260 1.00 0.00 O ATOM 1006 CB PRO A 68 3.432 3.620 -2.356 1.00 0.00 C ATOM 1007 CG PRO A 68 2.641 4.304 -3.417 1.00 0.00 C ATOM 1008 CD PRO A 68 1.391 3.486 -3.594 1.00 0.00 C ATOM 0 HA PRO A 68 2.691 2.080 -0.956 1.00 0.00 H new ATOM 0 HB2 PRO A 68 4.080 4.322 -1.831 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.074 2.847 -2.777 1.00 0.00 H new ATOM 0 HG2 PRO A 68 2.400 5.327 -3.126 1.00 0.00 H new ATOM 0 HG3 PRO A 68 3.205 4.362 -4.348 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.537 4.109 -3.860 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.504 2.745 -4.386 1.00 0.00 H new ATOM 1016 N VAL A 69 2.977 3.909 0.762 1.00 0.00 N ATOM 1017 CA VAL A 69 2.833 4.759 1.938 1.00 0.00 C ATOM 1018 C VAL A 69 2.689 6.224 1.542 1.00 0.00 C ATOM 1019 O VAL A 69 3.321 6.686 0.593 1.00 0.00 O ATOM 1020 CB VAL A 69 4.035 4.611 2.889 1.00 0.00 C ATOM 1021 CG1 VAL A 69 3.870 5.512 4.103 1.00 0.00 C ATOM 1022 CG2 VAL A 69 4.203 3.159 3.312 1.00 0.00 C ATOM 0 H VAL A 69 3.784 3.286 0.789 1.00 0.00 H new ATOM 0 HA VAL A 69 1.930 4.434 2.454 1.00 0.00 H new ATOM 0 HB VAL A 69 4.936 4.918 2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.729 5.394 4.763 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.802 6.550 3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.961 5.239 4.638 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.057 3.072 3.984 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.302 2.823 3.825 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.371 2.540 2.430 1.00 0.00 H new ATOM 1032 N GLY A 70 1.854 6.951 2.277 1.00 0.00 N ATOM 1033 CA GLY A 70 1.643 8.358 1.988 1.00 0.00 C ATOM 1034 C GLY A 70 0.817 8.574 0.735 1.00 0.00 C ATOM 1035 O GLY A 70 1.161 9.405 -0.106 1.00 0.00 O ATOM 0 H GLY A 70 1.319 6.591 3.068 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.143 8.829 2.835 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.608 8.851 1.873 1.00 0.00 H new ATOM 1039 N TRP A 71 -0.272 7.825 0.610 1.00 0.00 N ATOM 1040 CA TRP A 71 -1.148 7.938 -0.552 1.00 0.00 C ATOM 1041 C TRP A 71 -2.302 8.894 -0.272 1.00 0.00 C ATOM 1042 O TRP A 71 -2.626 9.750 -1.096 1.00 0.00 O ATOM 1043 CB TRP A 71 -1.691 6.563 -0.942 1.00 0.00 C ATOM 1044 CG TRP A 71 -2.514 6.583 -2.195 1.00 0.00 C ATOM 1045 CD1 TRP A 71 -2.059 6.455 -3.476 1.00 0.00 C ATOM 1046 CD2 TRP A 71 -3.934 6.743 -2.285 1.00 0.00 C ATOM 1047 NE1 TRP A 71 -3.111 6.526 -4.358 1.00 0.00 N ATOM 1048 CE2 TRP A 71 -4.272 6.701 -3.652 1.00 0.00 C ATOM 1049 CE3 TRP A 71 -4.953 6.915 -1.344 1.00 0.00 C ATOM 1050 CZ2 TRP A 71 -5.585 6.827 -4.098 1.00 0.00 C ATOM 1051 CZ3 TRP A 71 -6.255 7.040 -1.789 1.00 0.00 C ATOM 1052 CH2 TRP A 71 -6.562 6.995 -3.155 1.00 0.00 C ATOM 0 H TRP A 71 -0.570 7.133 1.298 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.563 8.338 -1.380 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -0.856 5.875 -1.075 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -2.297 6.174 -0.124 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -1.025 6.318 -3.755 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -3.039 6.459 -5.373 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -4.727 6.950 -0.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -5.824 6.793 -5.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -7.050 7.175 -1.071 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -7.590 7.095 -3.470 1.00 0.00 H new ATOM 1063 N CYS A 72 -2.919 8.744 0.895 1.00 0.00 N ATOM 1064 CA CYS A 72 -4.039 9.594 1.283 1.00 0.00 C ATOM 1065 C CYS A 72 -3.618 11.059 1.329 1.00 0.00 C ATOM 1066 O CYS A 72 -4.406 11.951 1.015 1.00 0.00 O ATOM 1067 CB CYS A 72 -4.584 9.164 2.646 1.00 0.00 C ATOM 1068 SG CYS A 72 -3.336 9.093 3.952 1.00 0.00 S ATOM 0 H CYS A 72 -2.663 8.042 1.589 1.00 0.00 H new ATOM 0 HA CYS A 72 -4.824 9.484 0.535 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -5.369 9.858 2.946 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -5.047 8.182 2.547 1.00 0.00 H new ATOM 0 HG CYS A 72 -2.863 7.885 4.035 1.00 0.00 H new ATOM 1074 N GLU A 73 -2.372 11.300 1.724 1.00 0.00 N ATOM 1075 CA GLU A 73 -1.848 12.658 1.814 1.00 0.00 C ATOM 1076 C GLU A 73 -1.408 13.163 0.443 1.00 0.00 C ATOM 1077 O GLU A 73 -1.532 14.348 0.135 1.00 0.00 O ATOM 1078 CB GLU A 73 -0.672 12.711 2.791 1.00 0.00 C ATOM 1079 CG GLU A 73 -0.526 14.049 3.496 1.00 0.00 C ATOM 1080 CD GLU A 73 0.369 15.012 2.741 1.00 0.00 C ATOM 1081 OE1 GLU A 73 0.336 15.000 1.493 1.00 0.00 O ATOM 1082 OE2 GLU A 73 1.104 15.778 3.399 1.00 0.00 O ATOM 0 H GLU A 73 -1.707 10.573 1.987 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.645 13.304 2.181 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.796 11.928 3.539 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.249 12.492 2.250 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.511 14.498 3.623 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.119 13.887 4.494 1.00 0.00 H new ATOM 1089 N LYS A 74 -0.892 12.254 -0.378 1.00 0.00 N ATOM 1090 CA LYS A 74 -0.433 12.604 -1.717 1.00 0.00 C ATOM 1091 C LYS A 74 -1.613 12.929 -2.629 1.00 0.00 C ATOM 1092 O LYS A 74 -1.592 13.920 -3.360 1.00 0.00 O ATOM 1093 CB LYS A 74 0.386 11.458 -2.314 1.00 0.00 C ATOM 1094 CG LYS A 74 0.943 11.763 -3.694 1.00 0.00 C ATOM 1095 CD LYS A 74 -0.011 11.321 -4.790 1.00 0.00 C ATOM 1096 CE LYS A 74 0.281 9.900 -5.246 1.00 0.00 C ATOM 1097 NZ LYS A 74 -0.299 8.890 -4.318 1.00 0.00 N ATOM 0 H LYS A 74 -0.781 11.269 -0.139 1.00 0.00 H new ATOM 0 HA LYS A 74 0.197 13.490 -1.638 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.211 11.224 -1.642 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.240 10.567 -2.373 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.131 12.833 -3.783 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.902 11.260 -3.820 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.037 11.384 -4.427 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.069 12.000 -5.639 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.124 9.749 -6.247 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.359 9.754 -5.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.466 8.423 -3.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.942 9.361 -3.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.827 8.180 -4.864 1.00 0.00 H new ATOM 1111 N THR A 75 -2.641 12.088 -2.580 1.00 0.00 N ATOM 1112 CA THR A 75 -3.829 12.285 -3.401 1.00 0.00 C ATOM 1113 C THR A 75 -4.787 13.279 -2.753 1.00 0.00 C ATOM 1114 O THR A 75 -5.321 14.165 -3.418 1.00 0.00 O ATOM 1115 CB THR A 75 -4.572 10.958 -3.643 1.00 0.00 C ATOM 1116 OG1 THR A 75 -5.097 10.458 -2.409 1.00 0.00 O ATOM 1117 CG2 THR A 75 -3.643 9.923 -4.262 1.00 0.00 C ATOM 0 H THR A 75 -2.675 11.264 -1.980 1.00 0.00 H new ATOM 0 HA THR A 75 -3.489 12.682 -4.357 1.00 0.00 H new ATOM 0 HB THR A 75 -5.392 11.147 -4.335 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.359 10.167 -1.834 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.190 8.994 -4.424 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.268 10.295 -5.216 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.805 9.738 -3.590 1.00 0.00 H new ATOM 1125 N GLY A 76 -4.999 13.125 -1.449 1.00 0.00 N ATOM 1126 CA GLY A 76 -5.891 14.017 -0.733 1.00 0.00 C ATOM 1127 C GLY A 76 -7.160 13.324 -0.277 1.00 0.00 C ATOM 1128 O GLY A 76 -8.223 13.503 -0.872 1.00 0.00 O ATOM 0 H GLY A 76 -4.569 12.399 -0.877 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.372 14.426 0.134 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.151 14.859 -1.375 1.00 0.00 H new ATOM 1132 N HIS A 77 -7.050 12.528 0.782 1.00 0.00 N ATOM 1133 CA HIS A 77 -8.197 11.804 1.318 1.00 0.00 C ATOM 1134 C HIS A 77 -7.961 11.411 2.773 1.00 0.00 C ATOM 1135 O HIS A 77 -6.893 11.666 3.331 1.00 0.00 O ATOM 1136 CB HIS A 77 -8.476 10.557 0.479 1.00 0.00 C ATOM 1137 CG HIS A 77 -9.871 10.032 0.632 1.00 0.00 C ATOM 1138 ND1 HIS A 77 -10.982 10.702 0.168 1.00 0.00 N ATOM 1139 CD2 HIS A 77 -10.330 8.892 1.200 1.00 0.00 C ATOM 1140 CE1 HIS A 77 -12.066 9.999 0.446 1.00 0.00 C ATOM 1141 NE2 HIS A 77 -11.697 8.896 1.072 1.00 0.00 N ATOM 0 H HIS A 77 -6.178 12.368 1.286 1.00 0.00 H new ATOM 0 HA HIS A 77 -9.064 12.463 1.275 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -8.297 10.788 -0.571 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -7.770 9.775 0.759 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.732 8.123 1.667 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -13.080 10.279 0.203 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -12.326 8.166 1.406 1.00 0.00 H new ATOM 1150 N LYS A 78 -8.965 10.790 3.383 1.00 0.00 N ATOM 1151 CA LYS A 78 -8.867 10.361 4.773 1.00 0.00 C ATOM 1152 C LYS A 78 -8.429 8.903 4.863 1.00 0.00 C ATOM 1153 O LYS A 78 -8.969 8.038 4.172 1.00 0.00 O ATOM 1154 CB LYS A 78 -10.212 10.545 5.481 1.00 0.00 C ATOM 1155 CG LYS A 78 -10.648 11.996 5.590 1.00 0.00 C ATOM 1156 CD LYS A 78 -9.752 12.779 6.534 1.00 0.00 C ATOM 1157 CE LYS A 78 -10.103 14.258 6.539 1.00 0.00 C ATOM 1158 NZ LYS A 78 -9.639 14.943 5.300 1.00 0.00 N ATOM 0 H LYS A 78 -9.856 10.573 2.936 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.116 10.979 5.266 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.976 9.984 4.943 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.148 10.117 6.482 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.629 12.457 4.603 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.678 12.042 5.943 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.847 12.378 7.543 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.711 12.652 6.237 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.182 14.375 6.636 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.651 14.735 7.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.821 15.964 5.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.619 14.782 5.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.152 14.562 4.480 1.00 0.00 H new ATOM 1172 N LEU A 79 -7.449 8.636 5.719 1.00 0.00 N ATOM 1173 CA LEU A 79 -6.939 7.282 5.900 1.00 0.00 C ATOM 1174 C LEU A 79 -7.533 6.639 7.150 1.00 0.00 C ATOM 1175 O LEU A 79 -7.599 7.263 8.210 1.00 0.00 O ATOM 1176 CB LEU A 79 -5.412 7.299 5.998 1.00 0.00 C ATOM 1177 CG LEU A 79 -4.767 6.069 6.637 1.00 0.00 C ATOM 1178 CD1 LEU A 79 -5.089 4.819 5.832 1.00 0.00 C ATOM 1179 CD2 LEU A 79 -3.261 6.256 6.754 1.00 0.00 C ATOM 0 H LEU A 79 -6.992 9.340 6.299 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.235 6.690 5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.005 7.418 4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.114 8.179 6.569 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.177 5.947 7.640 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.622 3.953 6.302 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.169 4.675 5.800 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.707 4.931 4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.819 5.371 7.211 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.835 6.404 5.762 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.050 7.128 7.373 1.00 0.00 H new ATOM 1191 N HIS A 80 -7.962 5.388 7.019 1.00 0.00 N ATOM 1192 CA HIS A 80 -8.548 4.659 8.138 1.00 0.00 C ATOM 1193 C HIS A 80 -7.464 3.992 8.979 1.00 0.00 C ATOM 1194 O HIS A 80 -6.771 3.078 8.532 1.00 0.00 O ATOM 1195 CB HIS A 80 -9.534 3.608 7.629 1.00 0.00 C ATOM 1196 CG HIS A 80 -10.774 4.192 7.026 1.00 0.00 C ATOM 1197 ND1 HIS A 80 -12.045 3.789 7.380 1.00 0.00 N ATOM 1198 CD2 HIS A 80 -10.934 5.156 6.090 1.00 0.00 C ATOM 1199 CE1 HIS A 80 -12.932 4.478 6.685 1.00 0.00 C ATOM 1200 NE2 HIS A 80 -12.284 5.315 5.895 1.00 0.00 N ATOM 0 H HIS A 80 -7.915 4.858 6.149 1.00 0.00 H new ATOM 0 HA HIS A 80 -9.082 5.373 8.765 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.037 2.985 6.885 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.815 2.955 8.455 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -10.146 5.699 5.589 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -14.005 4.375 6.751 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -12.716 5.972 5.246 1.00 0.00 H new ATOM 1209 N PRO A 81 -7.311 4.459 10.228 1.00 0.00 N ATOM 1210 CA PRO A 81 -6.313 3.922 11.157 1.00 0.00 C ATOM 1211 C PRO A 81 -6.653 2.511 11.622 1.00 0.00 C ATOM 1212 O PRO A 81 -7.792 2.055 11.517 1.00 0.00 O ATOM 1213 CB PRO A 81 -6.362 4.900 12.334 1.00 0.00 C ATOM 1214 CG PRO A 81 -7.732 5.484 12.284 1.00 0.00 C ATOM 1215 CD PRO A 81 -8.102 5.547 10.828 1.00 0.00 C ATOM 0 HA PRO A 81 -5.329 3.839 10.695 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.183 4.390 13.280 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.599 5.672 12.239 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.439 4.869 12.840 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.750 6.476 12.735 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -9.171 5.396 10.678 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.852 6.514 10.391 1.00 0.00 H new ATOM 1223 N PRO A 82 -5.645 1.801 12.149 1.00 0.00 N ATOM 1224 CA PRO A 82 -5.814 0.430 12.641 1.00 0.00 C ATOM 1225 C PRO A 82 -6.651 0.371 13.915 1.00 0.00 C ATOM 1226 O PRO A 82 -7.343 1.329 14.261 1.00 0.00 O ATOM 1227 CB PRO A 82 -4.380 -0.025 12.922 1.00 0.00 C ATOM 1228 CG PRO A 82 -3.625 1.234 13.176 1.00 0.00 C ATOM 1229 CD PRO A 82 -4.262 2.281 12.305 1.00 0.00 C ATOM 0 HA PRO A 82 -6.342 -0.199 11.924 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.338 -0.692 13.783 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.965 -0.571 12.075 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.678 1.516 14.228 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.570 1.112 12.932 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.229 3.266 12.771 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.756 2.366 11.344 1.00 0.00 H new ATOM 1237 N LYS A 83 -6.582 -0.759 14.610 1.00 0.00 N ATOM 1238 CA LYS A 83 -7.332 -0.943 15.847 1.00 0.00 C ATOM 1239 C LYS A 83 -6.824 -0.003 16.936 1.00 0.00 C ATOM 1240 O LYS A 83 -5.618 0.141 17.133 1.00 0.00 O ATOM 1241 CB LYS A 83 -7.225 -2.395 16.321 1.00 0.00 C ATOM 1242 CG LYS A 83 -5.797 -2.853 16.560 1.00 0.00 C ATOM 1243 CD LYS A 83 -5.729 -3.935 17.625 1.00 0.00 C ATOM 1244 CE LYS A 83 -6.269 -5.260 17.108 1.00 0.00 C ATOM 1245 NZ LYS A 83 -5.838 -6.403 17.959 1.00 0.00 N ATOM 0 H LYS A 83 -6.014 -1.562 14.338 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.378 -0.708 15.647 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.794 -2.510 17.244 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.687 -3.046 15.579 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.374 -3.231 15.629 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.187 -2.002 16.865 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.696 -4.063 17.949 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -6.301 -3.624 18.499 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.358 -5.221 17.076 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.926 -5.418 16.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.226 -7.288 17.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.799 -6.456 17.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.187 -6.265 18.929 1.00 0.00 H new ATOM 1259 N GLY A 84 -7.754 0.634 17.642 1.00 0.00 N ATOM 1260 CA GLY A 84 -7.380 1.551 18.703 1.00 0.00 C ATOM 1261 C GLY A 84 -6.460 2.654 18.219 1.00 0.00 C ATOM 1262 O GLY A 84 -5.547 3.069 18.933 1.00 0.00 O ATOM 0 H GLY A 84 -8.759 0.531 17.498 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.280 1.994 19.130 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.888 0.996 19.502 1.00 0.00 H new ATOM 1266 N TYR A 85 -6.700 3.130 17.002 1.00 0.00 N ATOM 1267 CA TYR A 85 -5.883 4.189 16.421 1.00 0.00 C ATOM 1268 C TYR A 85 -6.750 5.197 15.673 1.00 0.00 C ATOM 1269 O TYR A 85 -7.815 4.857 15.159 1.00 0.00 O ATOM 1270 CB TYR A 85 -4.839 3.595 15.474 1.00 0.00 C ATOM 1271 CG TYR A 85 -3.528 3.263 16.150 1.00 0.00 C ATOM 1272 CD1 TYR A 85 -2.617 4.262 16.473 1.00 0.00 C ATOM 1273 CD2 TYR A 85 -3.199 1.950 16.466 1.00 0.00 C ATOM 1274 CE1 TYR A 85 -1.418 3.962 17.090 1.00 0.00 C ATOM 1275 CE2 TYR A 85 -2.003 1.642 17.084 1.00 0.00 C ATOM 1276 CZ TYR A 85 -1.115 2.651 17.394 1.00 0.00 C ATOM 1277 OH TYR A 85 0.078 2.348 18.008 1.00 0.00 O ATOM 0 H TYR A 85 -7.453 2.799 16.399 1.00 0.00 H new ATOM 0 HA TYR A 85 -5.373 4.707 17.233 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.244 2.690 15.021 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.652 4.300 14.664 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.850 5.290 16.238 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -3.891 1.157 16.224 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.721 4.750 17.333 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -1.764 0.616 17.323 1.00 0.00 H new ATOM 0 HH TYR A 85 0.135 1.380 18.153 1.00 0.00 H new ATOM 1287 N LYS A 86 -6.284 6.440 15.617 1.00 0.00 N ATOM 1288 CA LYS A 86 -7.014 7.500 14.931 1.00 0.00 C ATOM 1289 C LYS A 86 -6.238 7.995 13.714 1.00 0.00 C ATOM 1290 O LYS A 86 -5.026 7.803 13.620 1.00 0.00 O ATOM 1291 CB LYS A 86 -7.281 8.665 15.887 1.00 0.00 C ATOM 1292 CG LYS A 86 -8.321 8.354 16.949 1.00 0.00 C ATOM 1293 CD LYS A 86 -7.737 7.516 18.073 1.00 0.00 C ATOM 1294 CE LYS A 86 -8.744 7.307 19.194 1.00 0.00 C ATOM 1295 NZ LYS A 86 -8.821 8.487 20.098 1.00 0.00 N ATOM 0 H LYS A 86 -5.404 6.738 16.038 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.966 7.091 14.592 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.347 8.944 16.375 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.610 9.529 15.310 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.717 9.285 17.356 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.158 7.823 16.495 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.421 6.549 17.681 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.847 8.006 18.469 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.728 7.112 18.767 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.467 6.425 19.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.518 8.305 20.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.889 8.658 20.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.110 9.324 19.553 1.00 0.00 H new ATOM 1309 N GLU A 87 -6.945 8.633 12.786 1.00 0.00 N ATOM 1310 CA GLU A 87 -6.320 9.156 11.577 1.00 0.00 C ATOM 1311 C GLU A 87 -5.421 10.345 11.899 1.00 0.00 C ATOM 1312 O GLU A 87 -4.301 10.443 11.397 1.00 0.00 O ATOM 1313 CB GLU A 87 -7.389 9.570 10.563 1.00 0.00 C ATOM 1314 CG GLU A 87 -8.267 10.716 11.038 1.00 0.00 C ATOM 1315 CD GLU A 87 -9.514 10.886 10.192 1.00 0.00 C ATOM 1316 OE1 GLU A 87 -10.138 9.862 9.844 1.00 0.00 O ATOM 1317 OE2 GLU A 87 -9.865 12.042 9.880 1.00 0.00 O ATOM 0 H GLU A 87 -7.949 8.800 12.848 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.706 8.366 11.145 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.902 9.858 9.632 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.019 8.709 10.340 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.557 10.541 12.074 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.691 11.641 11.020 1.00 0.00 H new ATOM 1324 N GLU A 88 -5.919 11.247 12.739 1.00 0.00 N ATOM 1325 CA GLU A 88 -5.161 12.430 13.126 1.00 0.00 C ATOM 1326 C GLU A 88 -3.925 12.044 13.933 1.00 0.00 C ATOM 1327 O GLU A 88 -2.840 12.585 13.722 1.00 0.00 O ATOM 1328 CB GLU A 88 -6.039 13.382 13.942 1.00 0.00 C ATOM 1329 CG GLU A 88 -6.532 12.784 15.249 1.00 0.00 C ATOM 1330 CD GLU A 88 -7.477 13.708 15.993 1.00 0.00 C ATOM 1331 OE1 GLU A 88 -8.690 13.677 15.699 1.00 0.00 O ATOM 1332 OE2 GLU A 88 -7.004 14.462 16.869 1.00 0.00 O ATOM 0 H GLU A 88 -6.844 11.181 13.164 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.837 12.936 12.216 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.474 14.289 14.157 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.898 13.677 13.340 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.038 11.841 15.045 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.677 12.556 15.885 1.00 0.00 H new ATOM 1339 N GLU A 89 -4.099 11.106 14.859 1.00 0.00 N ATOM 1340 CA GLU A 89 -2.998 10.649 15.699 1.00 0.00 C ATOM 1341 C GLU A 89 -2.035 9.772 14.903 1.00 0.00 C ATOM 1342 O GLU A 89 -0.858 10.101 14.752 1.00 0.00 O ATOM 1343 CB GLU A 89 -3.534 9.874 16.904 1.00 0.00 C ATOM 1344 CG GLU A 89 -4.504 10.672 17.759 1.00 0.00 C ATOM 1345 CD GLU A 89 -4.582 10.161 19.184 1.00 0.00 C ATOM 1346 OE1 GLU A 89 -3.655 10.451 19.969 1.00 0.00 O ATOM 1347 OE2 GLU A 89 -5.570 9.472 19.514 1.00 0.00 O ATOM 0 H GLU A 89 -4.991 10.648 15.046 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.456 11.526 16.053 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.032 8.970 16.552 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.695 9.555 17.523 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -4.198 11.718 17.768 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.496 10.634 17.308 1.00 0.00 H new ATOM 1354 N PHE A 90 -2.544 8.653 14.398 1.00 0.00 N ATOM 1355 CA PHE A 90 -1.730 7.727 13.619 1.00 0.00 C ATOM 1356 C PHE A 90 -0.946 8.467 12.539 1.00 0.00 C ATOM 1357 O PHE A 90 -1.509 8.898 11.534 1.00 0.00 O ATOM 1358 CB PHE A 90 -2.612 6.653 12.979 1.00 0.00 C ATOM 1359 CG PHE A 90 -1.847 5.672 12.137 1.00 0.00 C ATOM 1360 CD1 PHE A 90 -0.811 4.931 12.682 1.00 0.00 C ATOM 1361 CD2 PHE A 90 -2.164 5.491 10.800 1.00 0.00 C ATOM 1362 CE1 PHE A 90 -0.106 4.027 11.910 1.00 0.00 C ATOM 1363 CE2 PHE A 90 -1.463 4.589 10.024 1.00 0.00 C ATOM 1364 CZ PHE A 90 -0.431 3.857 10.579 1.00 0.00 C ATOM 0 H PHE A 90 -3.516 8.366 14.514 1.00 0.00 H new ATOM 0 HA PHE A 90 -1.021 7.250 14.295 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -3.139 6.112 13.765 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.369 7.136 12.362 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.551 5.061 13.722 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.968 6.062 10.360 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.698 3.454 12.347 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -1.721 4.456 8.984 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.120 3.153 9.973 1.00 0.00 H new ATOM 1374 N ASN A 91 0.358 8.611 12.756 1.00 0.00 N ATOM 1375 CA ASN A 91 1.220 9.299 11.803 1.00 0.00 C ATOM 1376 C ASN A 91 2.233 8.337 11.192 1.00 0.00 C ATOM 1377 O ASN A 91 3.101 7.809 11.887 1.00 0.00 O ATOM 1378 CB ASN A 91 1.949 10.458 12.487 1.00 0.00 C ATOM 1379 CG ASN A 91 1.154 11.749 12.441 1.00 0.00 C ATOM 1380 OD1 ASN A 91 0.344 12.024 13.326 1.00 0.00 O ATOM 1381 ND2 ASN A 91 1.383 12.548 11.406 1.00 0.00 N ATOM 0 H ASN A 91 0.840 8.260 13.584 1.00 0.00 H new ATOM 0 HA ASN A 91 0.593 9.694 11.004 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.150 10.195 13.526 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.914 10.612 12.005 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.878 13.430 11.321 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.064 12.280 10.695 1.00 0.00 H new ATOM 1388 N TRP A 92 2.116 8.113 9.888 1.00 0.00 N ATOM 1389 CA TRP A 92 3.023 7.215 9.182 1.00 0.00 C ATOM 1390 C TRP A 92 4.465 7.440 9.623 1.00 0.00 C ATOM 1391 O TRP A 92 5.044 6.612 10.325 1.00 0.00 O ATOM 1392 CB TRP A 92 2.900 7.417 7.671 1.00 0.00 C ATOM 1393 CG TRP A 92 1.867 6.537 7.036 1.00 0.00 C ATOM 1394 CD1 TRP A 92 0.677 6.930 6.493 1.00 0.00 C ATOM 1395 CD2 TRP A 92 1.931 5.115 6.879 1.00 0.00 C ATOM 1396 NE1 TRP A 92 -0.002 5.838 6.009 1.00 0.00 N ATOM 1397 CE2 TRP A 92 0.746 4.713 6.232 1.00 0.00 C ATOM 1398 CE3 TRP A 92 2.875 4.143 7.220 1.00 0.00 C ATOM 1399 CZ2 TRP A 92 0.482 3.382 5.923 1.00 0.00 C ATOM 1400 CZ3 TRP A 92 2.611 2.821 6.913 1.00 0.00 C ATOM 1401 CH2 TRP A 92 1.423 2.451 6.269 1.00 0.00 C ATOM 0 H TRP A 92 1.402 8.541 9.298 1.00 0.00 H new ATOM 0 HA TRP A 92 2.744 6.190 9.428 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.652 8.459 7.470 1.00 0.00 H new ATOM 0 HB3 TRP A 92 3.867 7.224 7.206 1.00 0.00 H new ATOM 0 HD1 TRP A 92 0.322 7.949 6.450 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -0.916 5.862 5.557 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.794 4.419 7.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -0.433 3.094 5.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 3.333 2.061 7.174 1.00 0.00 H new ATOM 0 HH2 TRP A 92 1.247 1.410 6.041 1.00 0.00 H new ATOM 1412 N GLN A 93 5.038 8.564 9.206 1.00 0.00 N ATOM 1413 CA GLN A 93 6.413 8.896 9.558 1.00 0.00 C ATOM 1414 C GLN A 93 6.700 8.553 11.016 1.00 0.00 C ATOM 1415 O GLN A 93 7.714 7.930 11.331 1.00 0.00 O ATOM 1416 CB GLN A 93 6.681 10.382 9.309 1.00 0.00 C ATOM 1417 CG GLN A 93 5.608 11.297 9.877 1.00 0.00 C ATOM 1418 CD GLN A 93 5.707 12.713 9.344 1.00 0.00 C ATOM 1419 OE1 GLN A 93 5.998 13.649 10.089 1.00 0.00 O ATOM 1420 NE2 GLN A 93 5.466 12.876 8.049 1.00 0.00 N ATOM 0 H GLN A 93 4.572 9.260 8.624 1.00 0.00 H new ATOM 0 HA GLN A 93 7.076 8.304 8.927 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.643 10.648 9.748 1.00 0.00 H new ATOM 0 HB3 GLN A 93 6.762 10.553 8.236 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.625 10.891 9.638 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.689 11.315 10.964 1.00 0.00 H new ATOM 0 HE21 GLN A 93 5.228 12.071 7.469 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.519 13.806 7.634 1.00 0.00 H new ATOM 1429 N THR A 94 5.799 8.963 11.904 1.00 0.00 N ATOM 1430 CA THR A 94 5.956 8.701 13.329 1.00 0.00 C ATOM 1431 C THR A 94 5.980 7.203 13.612 1.00 0.00 C ATOM 1432 O THR A 94 6.707 6.740 14.491 1.00 0.00 O ATOM 1433 CB THR A 94 4.823 9.349 14.147 1.00 0.00 C ATOM 1434 OG1 THR A 94 4.701 10.734 13.804 1.00 0.00 O ATOM 1435 CG2 THR A 94 5.087 9.212 15.639 1.00 0.00 C ATOM 0 H THR A 94 4.953 9.478 11.661 1.00 0.00 H new ATOM 0 HA THR A 94 6.907 9.140 13.629 1.00 0.00 H new ATOM 0 HB THR A 94 3.892 8.833 13.910 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.977 11.138 14.327 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.274 9.677 16.197 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.150 8.156 15.902 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.027 9.705 15.889 1.00 0.00 H new ATOM 1443 N TYR A 95 5.181 6.451 12.863 1.00 0.00 N ATOM 1444 CA TYR A 95 5.110 5.005 13.036 1.00 0.00 C ATOM 1445 C TYR A 95 6.283 4.316 12.347 1.00 0.00 C ATOM 1446 O TYR A 95 6.625 3.176 12.667 1.00 0.00 O ATOM 1447 CB TYR A 95 3.790 4.469 12.479 1.00 0.00 C ATOM 1448 CG TYR A 95 3.733 2.959 12.405 1.00 0.00 C ATOM 1449 CD1 TYR A 95 4.341 2.173 13.376 1.00 0.00 C ATOM 1450 CD2 TYR A 95 3.071 2.320 11.364 1.00 0.00 C ATOM 1451 CE1 TYR A 95 4.292 0.794 13.311 1.00 0.00 C ATOM 1452 CE2 TYR A 95 3.016 0.942 11.292 1.00 0.00 C ATOM 1453 CZ TYR A 95 3.628 0.183 12.267 1.00 0.00 C ATOM 1454 OH TYR A 95 3.576 -1.191 12.200 1.00 0.00 O ATOM 0 H TYR A 95 4.574 6.819 12.131 1.00 0.00 H new ATOM 0 HA TYR A 95 5.161 4.789 14.103 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.971 4.825 13.103 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.633 4.880 11.482 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.860 2.648 14.195 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.591 2.911 10.598 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.771 0.197 14.073 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.496 0.461 10.476 1.00 0.00 H new ATOM 0 HH TYR A 95 2.641 -1.482 12.162 1.00 0.00 H new ATOM 1464 N LEU A 96 6.898 5.015 11.399 1.00 0.00 N ATOM 1465 CA LEU A 96 8.034 4.472 10.663 1.00 0.00 C ATOM 1466 C LEU A 96 9.350 4.867 11.325 1.00 0.00 C ATOM 1467 O LEU A 96 10.399 4.287 11.042 1.00 0.00 O ATOM 1468 CB LEU A 96 8.011 4.964 9.214 1.00 0.00 C ATOM 1469 CG LEU A 96 6.696 4.767 8.460 1.00 0.00 C ATOM 1470 CD1 LEU A 96 6.514 5.853 7.411 1.00 0.00 C ATOM 1471 CD2 LEU A 96 6.651 3.389 7.816 1.00 0.00 C ATOM 0 H LEU A 96 6.629 5.959 11.122 1.00 0.00 H new ATOM 0 HA LEU A 96 7.955 3.385 10.672 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.255 6.026 9.208 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.802 4.453 8.665 1.00 0.00 H new ATOM 0 HG LEU A 96 5.876 4.839 9.175 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.573 5.696 6.885 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.500 6.829 7.896 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.339 5.813 6.699 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.708 3.267 7.284 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.479 3.288 7.115 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.734 2.624 8.588 1.00 0.00 H new ATOM 1483 N LYS A 97 9.288 5.856 12.209 1.00 0.00 N ATOM 1484 CA LYS A 97 10.473 6.328 12.916 1.00 0.00 C ATOM 1485 C LYS A 97 10.695 5.531 14.198 1.00 0.00 C ATOM 1486 O LYS A 97 11.833 5.271 14.591 1.00 0.00 O ATOM 1487 CB LYS A 97 10.338 7.816 13.244 1.00 0.00 C ATOM 1488 CG LYS A 97 9.563 8.089 14.521 1.00 0.00 C ATOM 1489 CD LYS A 97 10.480 8.138 15.731 1.00 0.00 C ATOM 1490 CE LYS A 97 9.712 8.482 16.999 1.00 0.00 C ATOM 1491 NZ LYS A 97 10.576 8.401 18.209 1.00 0.00 N ATOM 0 H LYS A 97 8.428 6.347 12.454 1.00 0.00 H new ATOM 0 HA LYS A 97 11.335 6.183 12.265 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.333 8.252 13.333 1.00 0.00 H new ATOM 0 HB3 LYS A 97 9.843 8.319 12.414 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.030 9.035 14.429 1.00 0.00 H new ATOM 0 HG3 LYS A 97 8.811 7.313 14.664 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.974 7.174 15.854 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.263 8.879 15.566 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.301 9.488 16.913 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.868 7.801 17.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.017 8.642 19.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.948 7.435 18.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.367 9.069 18.116 1.00 0.00 H new ATOM 1505 N THR A 98 9.601 5.145 14.846 1.00 0.00 N ATOM 1506 CA THR A 98 9.676 4.379 16.083 1.00 0.00 C ATOM 1507 C THR A 98 10.060 2.929 15.809 1.00 0.00 C ATOM 1508 O THR A 98 10.727 2.289 16.624 1.00 0.00 O ATOM 1509 CB THR A 98 8.338 4.408 16.845 1.00 0.00 C ATOM 1510 OG1 THR A 98 8.513 3.882 18.165 1.00 0.00 O ATOM 1511 CG2 THR A 98 7.279 3.601 16.109 1.00 0.00 C ATOM 0 H THR A 98 8.652 5.351 14.534 1.00 0.00 H new ATOM 0 HA THR A 98 10.445 4.847 16.698 1.00 0.00 H new ATOM 0 HB THR A 98 8.005 5.444 16.909 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.658 3.906 18.643 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.343 3.636 16.666 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.126 4.022 15.115 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.608 2.566 16.018 1.00 0.00 H new ATOM 1519 N CYS A 99 9.637 2.417 14.659 1.00 0.00 N ATOM 1520 CA CYS A 99 9.937 1.042 14.278 1.00 0.00 C ATOM 1521 C CYS A 99 10.883 1.003 13.082 1.00 0.00 C ATOM 1522 O CYS A 99 10.947 0.009 12.359 1.00 0.00 O ATOM 1523 CB CYS A 99 8.647 0.289 13.947 1.00 0.00 C ATOM 1524 SG CYS A 99 7.895 -0.545 15.364 1.00 0.00 S ATOM 0 H CYS A 99 9.085 2.933 13.974 1.00 0.00 H new ATOM 0 HA CYS A 99 10.427 0.556 15.122 1.00 0.00 H new ATOM 0 HB2 CYS A 99 7.926 0.991 13.528 1.00 0.00 H new ATOM 0 HB3 CYS A 99 8.858 -0.450 13.174 1.00 0.00 H new ATOM 0 HG CYS A 99 6.809 -1.151 14.985 1.00 0.00 H new ATOM 1530 N LYS A 100 11.616 2.092 12.879 1.00 0.00 N ATOM 1531 CA LYS A 100 12.560 2.184 11.771 1.00 0.00 C ATOM 1532 C LYS A 100 12.069 1.381 10.571 1.00 0.00 C ATOM 1533 O LYS A 100 12.856 0.727 9.887 1.00 0.00 O ATOM 1534 CB LYS A 100 13.939 1.683 12.205 1.00 0.00 C ATOM 1535 CG LYS A 100 13.886 0.452 13.094 1.00 0.00 C ATOM 1536 CD LYS A 100 13.627 0.821 14.544 1.00 0.00 C ATOM 1537 CE LYS A 100 14.267 -0.177 15.497 1.00 0.00 C ATOM 1538 NZ LYS A 100 15.750 -0.201 15.360 1.00 0.00 N ATOM 0 H LYS A 100 11.575 2.924 13.468 1.00 0.00 H new ATOM 0 HA LYS A 100 12.638 3.231 11.478 1.00 0.00 H new ATOM 0 HB2 LYS A 100 14.530 1.455 11.318 1.00 0.00 H new ATOM 0 HB3 LYS A 100 14.456 2.482 12.736 1.00 0.00 H new ATOM 0 HG2 LYS A 100 13.101 -0.218 12.743 1.00 0.00 H new ATOM 0 HG3 LYS A 100 14.827 -0.093 13.019 1.00 0.00 H new ATOM 0 HD2 LYS A 100 14.020 1.818 14.742 1.00 0.00 H new ATOM 0 HD3 LYS A 100 12.553 0.860 14.724 1.00 0.00 H new ATOM 0 HE2 LYS A 100 14.001 0.078 16.523 1.00 0.00 H new ATOM 0 HE3 LYS A 100 13.868 -1.172 15.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 16.178 -0.484 16.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 16.019 -0.882 14.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 16.090 0.746 15.098 1.00 0.00 H new ATOM 1552 N ALA A 101 10.766 1.436 10.320 1.00 0.00 N ATOM 1553 CA ALA A 101 10.172 0.716 9.200 1.00 0.00 C ATOM 1554 C ALA A 101 10.332 1.496 7.900 1.00 0.00 C ATOM 1555 O ALA A 101 10.186 2.718 7.877 1.00 0.00 O ATOM 1556 CB ALA A 101 8.701 0.437 9.473 1.00 0.00 C ATOM 0 H ALA A 101 10.101 1.972 10.877 1.00 0.00 H new ATOM 0 HA ALA A 101 10.696 -0.233 9.091 1.00 0.00 H new ATOM 0 HB1 ALA A 101 8.270 -0.101 8.629 1.00 0.00 H new ATOM 0 HB2 ALA A 101 8.607 -0.168 10.375 1.00 0.00 H new ATOM 0 HB3 ALA A 101 8.171 1.380 9.611 1.00 0.00 H new ATOM 1562 N GLN A 102 10.632 0.782 6.820 1.00 0.00 N ATOM 1563 CA GLN A 102 10.813 1.409 5.516 1.00 0.00 C ATOM 1564 C GLN A 102 9.577 1.217 4.644 1.00 0.00 C ATOM 1565 O GLN A 102 9.062 0.107 4.516 1.00 0.00 O ATOM 1566 CB GLN A 102 12.042 0.830 4.814 1.00 0.00 C ATOM 1567 CG GLN A 102 11.886 -0.630 4.419 1.00 0.00 C ATOM 1568 CD GLN A 102 13.097 -1.168 3.683 1.00 0.00 C ATOM 1569 OE1 GLN A 102 14.131 -0.506 3.598 1.00 0.00 O ATOM 1570 NE2 GLN A 102 12.975 -2.377 3.146 1.00 0.00 N ATOM 0 H GLN A 102 10.755 -0.231 6.822 1.00 0.00 H new ATOM 0 HA GLN A 102 10.963 2.477 5.672 1.00 0.00 H new ATOM 0 HB2 GLN A 102 12.251 1.419 3.921 1.00 0.00 H new ATOM 0 HB3 GLN A 102 12.906 0.930 5.471 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.714 -1.228 5.314 1.00 0.00 H new ATOM 0 HG3 GLN A 102 11.004 -0.740 3.788 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.099 -2.891 3.241 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.757 -2.791 2.639 1.00 0.00 H new ATOM 1579 N ALA A 103 9.106 2.306 4.045 1.00 0.00 N ATOM 1580 CA ALA A 103 7.932 2.257 3.184 1.00 0.00 C ATOM 1581 C ALA A 103 8.281 1.692 1.811 1.00 0.00 C ATOM 1582 O ALA A 103 9.415 1.816 1.349 1.00 0.00 O ATOM 1583 CB ALA A 103 7.320 3.644 3.046 1.00 0.00 C ATOM 0 H ALA A 103 9.520 3.233 4.141 1.00 0.00 H new ATOM 0 HA ALA A 103 7.201 1.593 3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.444 3.592 2.400 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.025 4.011 4.029 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.053 4.323 2.610 1.00 0.00 H new ATOM 1589 N ALA A 104 7.300 1.070 1.165 1.00 0.00 N ATOM 1590 CA ALA A 104 7.504 0.487 -0.155 1.00 0.00 C ATOM 1591 C ALA A 104 7.631 1.571 -1.220 1.00 0.00 C ATOM 1592 O ALA A 104 6.982 2.615 -1.159 1.00 0.00 O ATOM 1593 CB ALA A 104 6.363 -0.459 -0.496 1.00 0.00 C ATOM 0 H ALA A 104 6.356 0.957 1.535 1.00 0.00 H new ATOM 0 HA ALA A 104 8.436 -0.078 -0.136 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.528 -0.887 -1.485 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.320 -1.259 0.243 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.421 0.090 -0.491 1.00 0.00 H new ATOM 1599 N PRO A 105 8.488 1.320 -2.222 1.00 0.00 N ATOM 1600 CA PRO A 105 8.720 2.264 -3.319 1.00 0.00 C ATOM 1601 C PRO A 105 7.517 2.380 -4.248 1.00 0.00 C ATOM 1602 O PRO A 105 7.004 1.378 -4.747 1.00 0.00 O ATOM 1603 CB PRO A 105 9.912 1.656 -4.063 1.00 0.00 C ATOM 1604 CG PRO A 105 9.850 0.200 -3.753 1.00 0.00 C ATOM 1605 CD PRO A 105 9.295 0.097 -2.359 1.00 0.00 C ATOM 0 HA PRO A 105 8.897 3.276 -2.955 1.00 0.00 H new ATOM 0 HB2 PRO A 105 9.842 1.836 -5.136 1.00 0.00 H new ATOM 0 HB3 PRO A 105 10.853 2.092 -3.727 1.00 0.00 H new ATOM 0 HG2 PRO A 105 9.214 -0.324 -4.466 1.00 0.00 H new ATOM 0 HG3 PRO A 105 10.839 -0.255 -3.814 1.00 0.00 H new ATOM 0 HD2 PRO A 105 8.689 -0.800 -2.233 1.00 0.00 H new ATOM 0 HD3 PRO A 105 10.088 0.053 -1.613 1.00 0.00 H new ATOM 1613 N LYS A 106 7.069 3.610 -4.477 1.00 0.00 N ATOM 1614 CA LYS A 106 5.926 3.859 -5.348 1.00 0.00 C ATOM 1615 C LYS A 106 6.049 3.068 -6.646 1.00 0.00 C ATOM 1616 O LYS A 106 5.046 2.736 -7.279 1.00 0.00 O ATOM 1617 CB LYS A 106 5.810 5.353 -5.657 1.00 0.00 C ATOM 1618 CG LYS A 106 6.836 5.848 -6.662 1.00 0.00 C ATOM 1619 CD LYS A 106 8.095 6.348 -5.974 1.00 0.00 C ATOM 1620 CE LYS A 106 8.001 7.832 -5.652 1.00 0.00 C ATOM 1621 NZ LYS A 106 7.150 8.088 -4.457 1.00 0.00 N ATOM 0 H LYS A 106 7.480 4.451 -4.071 1.00 0.00 H new ATOM 0 HA LYS A 106 5.026 3.531 -4.828 1.00 0.00 H new ATOM 0 HB2 LYS A 106 4.810 5.560 -6.039 1.00 0.00 H new ATOM 0 HB3 LYS A 106 5.920 5.917 -4.731 1.00 0.00 H new ATOM 0 HG2 LYS A 106 7.092 5.042 -7.349 1.00 0.00 H new ATOM 0 HG3 LYS A 106 6.404 6.651 -7.259 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.257 5.785 -5.055 1.00 0.00 H new ATOM 0 HD3 LYS A 106 8.958 6.167 -6.615 1.00 0.00 H new ATOM 0 HE2 LYS A 106 9.001 8.230 -5.478 1.00 0.00 H new ATOM 0 HE3 LYS A 106 7.591 8.365 -6.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 7.383 9.020 -4.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 6.148 8.071 -4.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 7.324 7.352 -3.743 1.00 0.00 H new ATOM 1635 N SER A 107 7.283 2.769 -7.037 1.00 0.00 N ATOM 1636 CA SER A 107 7.537 2.019 -8.262 1.00 0.00 C ATOM 1637 C SER A 107 6.708 0.738 -8.296 1.00 0.00 C ATOM 1638 O SER A 107 6.004 0.466 -9.270 1.00 0.00 O ATOM 1639 CB SER A 107 9.024 1.680 -8.379 1.00 0.00 C ATOM 1640 OG SER A 107 9.730 2.709 -9.052 1.00 0.00 O ATOM 0 H SER A 107 8.123 3.034 -6.523 1.00 0.00 H new ATOM 0 HA SER A 107 7.246 2.643 -9.107 1.00 0.00 H new ATOM 0 HB2 SER A 107 9.447 1.535 -7.385 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.145 0.740 -8.917 1.00 0.00 H new ATOM 0 HG SER A 107 10.678 2.469 -9.113 1.00 0.00 H new ATOM 1646 N LEU A 108 6.796 -0.044 -7.226 1.00 0.00 N ATOM 1647 CA LEU A 108 6.054 -1.297 -7.132 1.00 0.00 C ATOM 1648 C LEU A 108 4.625 -1.124 -7.636 1.00 0.00 C ATOM 1649 O LEU A 108 3.993 -2.081 -8.084 1.00 0.00 O ATOM 1650 CB LEU A 108 6.040 -1.796 -5.686 1.00 0.00 C ATOM 1651 CG LEU A 108 7.314 -2.489 -5.202 1.00 0.00 C ATOM 1652 CD1 LEU A 108 7.300 -2.635 -3.688 1.00 0.00 C ATOM 1653 CD2 LEU A 108 7.470 -3.847 -5.869 1.00 0.00 C ATOM 0 H LEU A 108 7.373 0.167 -6.412 1.00 0.00 H new ATOM 0 HA LEU A 108 6.554 -2.034 -7.760 1.00 0.00 H new ATOM 0 HB2 LEU A 108 5.841 -0.947 -5.032 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.207 -2.489 -5.570 1.00 0.00 H new ATOM 0 HG LEU A 108 8.168 -1.871 -5.479 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.215 -3.130 -3.362 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.238 -1.649 -3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.438 -3.231 -3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 108 8.382 -4.325 -5.512 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.612 -4.473 -5.624 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.527 -3.717 -6.950 1.00 0.00 H new ATOM 1665 N PHE A 109 4.123 0.104 -7.563 1.00 0.00 N ATOM 1666 CA PHE A 109 2.768 0.404 -8.013 1.00 0.00 C ATOM 1667 C PHE A 109 2.791 1.174 -9.331 1.00 0.00 C ATOM 1668 O PHE A 109 2.238 2.268 -9.431 1.00 0.00 O ATOM 1669 CB PHE A 109 2.021 1.212 -6.950 1.00 0.00 C ATOM 1670 CG PHE A 109 2.155 0.648 -5.565 1.00 0.00 C ATOM 1671 CD1 PHE A 109 3.324 0.822 -4.841 1.00 0.00 C ATOM 1672 CD2 PHE A 109 1.112 -0.056 -4.985 1.00 0.00 C ATOM 1673 CE1 PHE A 109 3.450 0.303 -3.567 1.00 0.00 C ATOM 1674 CE2 PHE A 109 1.232 -0.577 -3.711 1.00 0.00 C ATOM 1675 CZ PHE A 109 2.402 -0.397 -3.000 1.00 0.00 C ATOM 0 H PHE A 109 4.633 0.908 -7.197 1.00 0.00 H new ATOM 0 HA PHE A 109 2.248 -0.540 -8.173 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.394 2.236 -6.954 1.00 0.00 H new ATOM 0 HB3 PHE A 109 0.965 1.257 -7.215 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.146 1.370 -5.278 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.194 -0.199 -5.536 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.367 0.444 -3.014 1.00 0.00 H new ATOM 0 HE2 PHE A 109 0.411 -1.125 -3.272 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.498 -0.802 -2.003 1.00 0.00 H new ATOM 1685 N GLU A 110 3.437 0.593 -10.338 1.00 0.00 N ATOM 1686 CA GLU A 110 3.533 1.225 -11.648 1.00 0.00 C ATOM 1687 C GLU A 110 2.361 0.818 -12.536 1.00 0.00 C ATOM 1688 O GLU A 110 2.513 0.657 -13.746 1.00 0.00 O ATOM 1689 CB GLU A 110 4.854 0.851 -12.324 1.00 0.00 C ATOM 1690 CG GLU A 110 5.361 1.904 -13.295 1.00 0.00 C ATOM 1691 CD GLU A 110 5.596 3.246 -12.630 1.00 0.00 C ATOM 1692 OE1 GLU A 110 6.409 3.305 -11.684 1.00 0.00 O ATOM 1693 OE2 GLU A 110 4.967 4.237 -13.056 1.00 0.00 O ATOM 0 H GLU A 110 3.901 -0.313 -10.271 1.00 0.00 H new ATOM 0 HA GLU A 110 3.500 2.305 -11.505 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.610 0.682 -11.557 1.00 0.00 H new ATOM 0 HB3 GLU A 110 4.725 -0.091 -12.857 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.291 1.559 -13.746 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.640 2.025 -14.103 1.00 0.00 H new ATOM 1700 N ASN A 111 1.193 0.652 -11.925 1.00 0.00 N ATOM 1701 CA ASN A 111 -0.005 0.262 -12.659 1.00 0.00 C ATOM 1702 C ASN A 111 -0.752 1.489 -13.174 1.00 0.00 C ATOM 1703 O ASN A 111 -0.877 1.689 -14.382 1.00 0.00 O ATOM 1704 CB ASN A 111 -0.927 -0.572 -11.767 1.00 0.00 C ATOM 1705 CG ASN A 111 -0.160 -1.552 -10.900 1.00 0.00 C ATOM 1706 OD1 ASN A 111 -0.239 -1.505 -9.673 1.00 0.00 O ATOM 1707 ND2 ASN A 111 0.588 -2.446 -11.537 1.00 0.00 N ATOM 0 H ASN A 111 1.050 0.781 -10.923 1.00 0.00 H new ATOM 0 HA ASN A 111 0.304 -0.339 -13.514 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -1.511 0.093 -11.130 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.634 -1.119 -12.391 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.127 -3.131 -11.007 1.00 0.00 H new ATOM 0 HD22 ASN A 111 0.623 -2.448 -12.556 1.00 0.00 H new ATOM 1714 N GLN A 112 -1.244 2.306 -12.249 1.00 0.00 N ATOM 1715 CA GLN A 112 -1.978 3.514 -12.609 1.00 0.00 C ATOM 1716 C GLN A 112 -1.065 4.735 -12.581 1.00 0.00 C ATOM 1717 O GLN A 112 -0.319 4.942 -11.624 1.00 0.00 O ATOM 1718 CB GLN A 112 -3.157 3.722 -11.658 1.00 0.00 C ATOM 1719 CG GLN A 112 -2.742 4.143 -10.257 1.00 0.00 C ATOM 1720 CD GLN A 112 -3.918 4.244 -9.305 1.00 0.00 C ATOM 1721 OE1 GLN A 112 -4.461 5.326 -9.083 1.00 0.00 O ATOM 1722 NE2 GLN A 112 -4.318 3.112 -8.737 1.00 0.00 N ATOM 0 H GLN A 112 -1.148 2.154 -11.245 1.00 0.00 H new ATOM 0 HA GLN A 112 -2.356 3.390 -13.624 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -3.820 4.480 -12.075 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -3.730 2.797 -11.596 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -2.022 3.425 -9.864 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -2.236 5.107 -10.306 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -3.838 2.237 -8.950 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -5.105 3.117 -8.088 1.00 0.00 H new ATOM 1731 N ASN A 113 -1.128 5.540 -13.636 1.00 0.00 N ATOM 1732 CA ASN A 113 -0.306 6.740 -13.732 1.00 0.00 C ATOM 1733 C ASN A 113 -0.870 7.705 -14.771 1.00 0.00 C ATOM 1734 O ASN A 113 -1.865 7.407 -15.434 1.00 0.00 O ATOM 1735 CB ASN A 113 1.134 6.370 -14.093 1.00 0.00 C ATOM 1736 CG ASN A 113 1.823 5.587 -12.992 1.00 0.00 C ATOM 1737 OD1 ASN A 113 2.265 4.457 -13.202 1.00 0.00 O ATOM 1738 ND2 ASN A 113 1.916 6.185 -11.810 1.00 0.00 N ATOM 0 H ASN A 113 -1.740 5.383 -14.437 1.00 0.00 H new ATOM 0 HA ASN A 113 -0.315 7.234 -12.760 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.136 5.781 -15.010 1.00 0.00 H new ATOM 0 HB3 ASN A 113 1.700 7.279 -14.297 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.368 5.707 -11.031 1.00 0.00 H new ATOM 0 HD22 ASN A 113 1.535 7.123 -11.681 1.00 0.00 H new ATOM 1745 N ILE A 114 -0.229 8.860 -14.908 1.00 0.00 N ATOM 1746 CA ILE A 114 -0.666 9.867 -15.868 1.00 0.00 C ATOM 1747 C ILE A 114 -1.012 9.233 -17.211 1.00 0.00 C ATOM 1748 O ILE A 114 -0.259 8.412 -17.736 1.00 0.00 O ATOM 1749 CB ILE A 114 0.414 10.944 -16.084 1.00 0.00 C ATOM 1750 CG1 ILE A 114 0.767 11.617 -14.757 1.00 0.00 C ATOM 1751 CG2 ILE A 114 -0.062 11.975 -17.097 1.00 0.00 C ATOM 1752 CD1 ILE A 114 -0.349 12.469 -14.195 1.00 0.00 C ATOM 0 H ILE A 114 0.595 9.122 -14.367 1.00 0.00 H new ATOM 0 HA ILE A 114 -1.557 10.336 -15.450 1.00 0.00 H new ATOM 0 HB ILE A 114 1.311 10.465 -16.476 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.029 10.850 -14.029 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.651 12.238 -14.898 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.712 12.730 -17.239 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -0.268 11.483 -18.048 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -0.971 12.452 -16.731 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.028 12.915 -13.254 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.597 13.259 -14.904 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -1.228 11.849 -14.021 1.00 0.00 H new ATOM 1764 N THR A 115 -2.157 9.620 -17.764 1.00 0.00 N ATOM 1765 CA THR A 115 -2.604 9.091 -19.046 1.00 0.00 C ATOM 1766 C THR A 115 -2.996 10.215 -19.998 1.00 0.00 C ATOM 1767 O THR A 115 -3.535 11.239 -19.578 1.00 0.00 O ATOM 1768 CB THR A 115 -3.802 8.138 -18.874 1.00 0.00 C ATOM 1769 OG1 THR A 115 -3.447 7.057 -18.004 1.00 0.00 O ATOM 1770 CG2 THR A 115 -4.252 7.586 -20.218 1.00 0.00 C ATOM 0 H THR A 115 -2.792 10.299 -17.343 1.00 0.00 H new ATOM 0 HA THR A 115 -1.766 8.536 -19.468 1.00 0.00 H new ATOM 0 HB THR A 115 -4.626 8.701 -18.436 1.00 0.00 H new ATOM 0 HG1 THR A 115 -3.082 7.416 -17.168 1.00 0.00 H new ATOM 0 HG21 THR A 115 -5.099 6.916 -20.071 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.549 8.409 -20.868 1.00 0.00 H new ATOM 0 HG23 THR A 115 -3.431 7.037 -20.679 1.00 0.00 H new ATOM 1778 N VAL A 116 -2.723 10.017 -21.284 1.00 0.00 N ATOM 1779 CA VAL A 116 -3.050 11.013 -22.297 1.00 0.00 C ATOM 1780 C VAL A 116 -4.547 11.298 -22.326 1.00 0.00 C ATOM 1781 O VAL A 116 -5.365 10.378 -22.291 1.00 0.00 O ATOM 1782 CB VAL A 116 -2.598 10.559 -23.698 1.00 0.00 C ATOM 1783 CG1 VAL A 116 -2.872 11.646 -24.726 1.00 0.00 C ATOM 1784 CG2 VAL A 116 -1.124 10.185 -23.686 1.00 0.00 C ATOM 0 H VAL A 116 -2.276 9.176 -21.649 1.00 0.00 H new ATOM 0 HA VAL A 116 -2.515 11.924 -22.028 1.00 0.00 H new ATOM 0 HB VAL A 116 -3.172 9.675 -23.977 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -2.546 11.307 -25.709 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -3.940 11.861 -24.752 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -2.326 12.550 -24.454 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -0.821 9.867 -24.684 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -0.532 11.049 -23.386 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -0.961 9.371 -22.980 1.00 0.00 H new ATOM 1794 N ILE A 117 -4.900 12.577 -22.389 1.00 0.00 N ATOM 1795 CA ILE A 117 -6.299 12.983 -22.424 1.00 0.00 C ATOM 1796 C ILE A 117 -6.883 12.824 -23.824 1.00 0.00 C ATOM 1797 O ILE A 117 -6.185 12.941 -24.832 1.00 0.00 O ATOM 1798 CB ILE A 117 -6.474 14.444 -21.970 1.00 0.00 C ATOM 1799 CG1 ILE A 117 -5.681 15.382 -22.882 1.00 0.00 C ATOM 1800 CG2 ILE A 117 -6.033 14.605 -20.523 1.00 0.00 C ATOM 1801 CD1 ILE A 117 -6.474 15.887 -24.067 1.00 0.00 C ATOM 0 H ILE A 117 -4.236 13.351 -22.417 1.00 0.00 H new ATOM 0 HA ILE A 117 -6.833 12.331 -21.733 1.00 0.00 H new ATOM 0 HB ILE A 117 -7.530 14.707 -22.039 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -5.333 16.234 -22.298 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -4.795 14.860 -23.244 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -6.163 15.643 -20.216 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -6.637 13.960 -19.885 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -4.983 14.328 -20.430 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -5.849 16.546 -24.669 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -6.800 15.042 -24.674 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -7.346 16.437 -23.713 1.00 0.00 H new ATOM 1813 N PRO A 118 -8.195 12.554 -23.891 1.00 0.00 N ATOM 1814 CA PRO A 118 -8.903 12.376 -25.163 1.00 0.00 C ATOM 1815 C PRO A 118 -9.032 13.680 -25.942 1.00 0.00 C ATOM 1816 O PRO A 118 -8.757 13.728 -27.141 1.00 0.00 O ATOM 1817 CB PRO A 118 -10.282 11.871 -24.733 1.00 0.00 C ATOM 1818 CG PRO A 118 -10.460 12.388 -23.348 1.00 0.00 C ATOM 1819 CD PRO A 118 -9.089 12.401 -22.731 1.00 0.00 C ATOM 0 HA PRO A 118 -8.375 11.697 -25.832 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -11.064 12.240 -25.397 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -10.331 10.782 -24.758 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -10.893 13.388 -23.358 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -11.138 11.753 -22.778 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -8.974 13.223 -22.024 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -8.885 11.480 -22.185 1.00 0.00 H new ATOM 1827 N SER A 119 -9.452 14.737 -25.253 1.00 0.00 N ATOM 1828 CA SER A 119 -9.620 16.042 -25.881 1.00 0.00 C ATOM 1829 C SER A 119 -9.662 17.149 -24.832 1.00 0.00 C ATOM 1830 O SER A 119 -9.889 16.892 -23.651 1.00 0.00 O ATOM 1831 CB SER A 119 -10.902 16.067 -26.717 1.00 0.00 C ATOM 1832 OG SER A 119 -10.667 15.578 -28.026 1.00 0.00 O ATOM 0 H SER A 119 -9.682 14.715 -24.260 1.00 0.00 H new ATOM 0 HA SER A 119 -8.765 16.217 -26.534 1.00 0.00 H new ATOM 0 HB2 SER A 119 -11.668 15.462 -26.232 1.00 0.00 H new ATOM 0 HB3 SER A 119 -11.286 17.086 -26.769 1.00 0.00 H new ATOM 0 HG SER A 119 -9.989 14.871 -27.994 1.00 0.00 H new ATOM 1838 N GLY A 120 -9.440 18.383 -25.274 1.00 0.00 N ATOM 1839 CA GLY A 120 -9.456 19.512 -24.362 1.00 0.00 C ATOM 1840 C GLY A 120 -8.111 19.744 -23.704 1.00 0.00 C ATOM 1841 O GLY A 120 -7.851 19.241 -22.610 1.00 0.00 O ATOM 0 H GLY A 120 -9.249 18.621 -26.247 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -9.751 20.410 -24.905 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -10.209 19.343 -23.592 1.00 0.00 H new ATOM 1845 N PHE A 121 -7.251 20.507 -24.371 1.00 0.00 N ATOM 1846 CA PHE A 121 -5.924 20.803 -23.845 1.00 0.00 C ATOM 1847 C PHE A 121 -5.896 22.176 -23.178 1.00 0.00 C ATOM 1848 O PHE A 121 -5.900 23.205 -23.853 1.00 0.00 O ATOM 1849 CB PHE A 121 -4.884 20.747 -24.965 1.00 0.00 C ATOM 1850 CG PHE A 121 -5.136 21.736 -26.068 1.00 0.00 C ATOM 1851 CD1 PHE A 121 -6.003 21.431 -27.105 1.00 0.00 C ATOM 1852 CD2 PHE A 121 -4.507 22.970 -26.066 1.00 0.00 C ATOM 1853 CE1 PHE A 121 -6.237 22.339 -28.120 1.00 0.00 C ATOM 1854 CE2 PHE A 121 -4.737 23.882 -27.079 1.00 0.00 C ATOM 1855 CZ PHE A 121 -5.604 23.566 -28.107 1.00 0.00 C ATOM 0 H PHE A 121 -7.450 20.931 -25.277 1.00 0.00 H new ATOM 0 HA PHE A 121 -5.682 20.050 -23.095 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -3.896 20.930 -24.542 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -4.869 19.742 -25.386 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -6.501 20.473 -27.120 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -3.829 23.223 -25.264 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.915 22.089 -28.923 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -4.239 24.840 -27.067 1.00 0.00 H new ATOM 0 HZ PHE A 121 -5.786 24.277 -28.899 1.00 0.00 H new ATOM 1865 N SER A 122 -5.870 22.181 -21.849 1.00 0.00 N ATOM 1866 CA SER A 122 -5.846 23.426 -21.090 1.00 0.00 C ATOM 1867 C SER A 122 -4.742 23.400 -20.038 1.00 0.00 C ATOM 1868 O SER A 122 -4.411 22.346 -19.495 1.00 0.00 O ATOM 1869 CB SER A 122 -7.200 23.665 -20.420 1.00 0.00 C ATOM 1870 OG SER A 122 -7.598 22.538 -19.657 1.00 0.00 O ATOM 0 H SER A 122 -5.865 21.337 -21.276 1.00 0.00 H new ATOM 0 HA SER A 122 -5.643 24.242 -21.784 1.00 0.00 H new ATOM 0 HB2 SER A 122 -7.140 24.542 -19.775 1.00 0.00 H new ATOM 0 HB3 SER A 122 -7.952 23.878 -21.179 1.00 0.00 H new ATOM 0 HG SER A 122 -8.466 22.717 -19.238 1.00 0.00 H new ATOM 1876 N GLY A 123 -4.176 24.569 -19.754 1.00 0.00 N ATOM 1877 CA GLY A 123 -3.115 24.659 -18.768 1.00 0.00 C ATOM 1878 C GLY A 123 -3.612 24.416 -17.357 1.00 0.00 C ATOM 1879 O GLY A 123 -4.657 23.801 -17.142 1.00 0.00 O ATOM 0 H GLY A 123 -4.433 25.455 -20.189 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -2.339 23.932 -19.007 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -2.655 25.646 -18.823 1.00 0.00 H new ATOM 1883 N PRO A 124 -2.854 24.905 -16.365 1.00 0.00 N ATOM 1884 CA PRO A 124 -3.203 24.749 -14.950 1.00 0.00 C ATOM 1885 C PRO A 124 -4.421 25.579 -14.559 1.00 0.00 C ATOM 1886 O PRO A 124 -4.303 26.764 -14.247 1.00 0.00 O ATOM 1887 CB PRO A 124 -1.956 25.253 -14.219 1.00 0.00 C ATOM 1888 CG PRO A 124 -1.310 26.193 -15.176 1.00 0.00 C ATOM 1889 CD PRO A 124 -1.596 25.649 -16.549 1.00 0.00 C ATOM 0 HA PRO A 124 -3.470 23.720 -14.707 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -2.219 25.755 -13.288 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -1.289 24.431 -13.961 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -1.711 27.200 -15.064 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -0.237 26.256 -14.997 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -1.705 26.447 -17.283 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -0.793 25.001 -16.900 1.00 0.00 H new ATOM 1897 N SER A 125 -5.592 24.948 -14.578 1.00 0.00 N ATOM 1898 CA SER A 125 -6.832 25.630 -14.228 1.00 0.00 C ATOM 1899 C SER A 125 -6.728 26.276 -12.850 1.00 0.00 C ATOM 1900 O SER A 125 -6.090 25.736 -11.946 1.00 0.00 O ATOM 1901 CB SER A 125 -8.004 24.647 -14.256 1.00 0.00 C ATOM 1902 OG SER A 125 -7.810 23.596 -13.325 1.00 0.00 O ATOM 0 H SER A 125 -5.707 23.967 -14.832 1.00 0.00 H new ATOM 0 HA SER A 125 -7.006 26.414 -14.965 1.00 0.00 H new ATOM 0 HB2 SER A 125 -8.930 25.174 -14.027 1.00 0.00 H new ATOM 0 HB3 SER A 125 -8.112 24.234 -15.259 1.00 0.00 H new ATOM 0 HG SER A 125 -8.573 22.982 -13.361 1.00 0.00 H new ATOM 1908 N SER A 126 -7.360 27.435 -12.697 1.00 0.00 N ATOM 1909 CA SER A 126 -7.335 28.158 -11.431 1.00 0.00 C ATOM 1910 C SER A 126 -8.399 27.620 -10.478 1.00 0.00 C ATOM 1911 O SER A 126 -9.259 26.833 -10.870 1.00 0.00 O ATOM 1912 CB SER A 126 -7.555 29.653 -11.668 1.00 0.00 C ATOM 1913 OG SER A 126 -6.327 30.317 -11.911 1.00 0.00 O ATOM 0 H SER A 126 -7.896 27.894 -13.434 1.00 0.00 H new ATOM 0 HA SER A 126 -6.356 28.011 -10.976 1.00 0.00 H new ATOM 0 HB2 SER A 126 -8.223 29.795 -12.517 1.00 0.00 H new ATOM 0 HB3 SER A 126 -8.045 30.094 -10.800 1.00 0.00 H new ATOM 0 HG SER A 126 -6.495 31.271 -12.061 1.00 0.00 H new ATOM 1919 N GLY A 127 -8.333 28.053 -9.222 1.00 0.00 N ATOM 1920 CA GLY A 127 -9.295 27.606 -8.232 1.00 0.00 C ATOM 1921 C GLY A 127 -8.937 28.056 -6.830 1.00 0.00 C ATOM 1922 O GLY A 127 -7.937 28.745 -6.629 1.00 0.00 O ATOM 0 H GLY A 127 -7.631 28.705 -8.873 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -10.282 27.988 -8.492 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -9.357 26.518 -8.256 1.00 0.00 H new TER 1926 GLY A 127