USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 668 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 89 THR OG1 : rot 63:sc= 0.859 USER MOD Set 1.2: A 90 HIS : no HD1:sc= -1.58 K(o=-0.72,f=-9.9!) USER MOD Set 2.1: A 23 TYR OH : rot -70:sc= 0.573 USER MOD Set 2.2: A 78 HIS : no HD1:sc= 0.603 K(o=1.4,f=-4!) USER MOD Set 2.3: A 80 TYR OH : rot 92:sc= 0.271 USER MOD Set 3.1: A 50 LYS NZ :NH3+ -120:sc= 2.04 (180deg=0.852) USER MOD Set 3.2: A 73 TYR OH : rot -120:sc= 2.2 USER MOD Set 4.1: A 1 ALA N :NH3+ -169:sc= -1.14! (180deg=-1.68!) USER MOD Set 4.2: A 3 TYR OH : rot -120:sc= 1.09 USER MOD Single : A 2 THR OG1 : rot -97:sc= 1.05 USER MOD Single : A 4 ASN : amide:sc= 0.064 X(o=0.064,f=-0.056) USER MOD Single : A 6 LYS NZ :NH3+ 177:sc= 1.31 (180deg=1.22) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0462 USER MOD Single : A 17 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0818) USER MOD Single : A 18 CYS SG : rot -58:sc= -1.41 USER MOD Single : A 27 GLN : amide:sc= 1.82 K(o=1.8,f=-0.14) USER MOD Single : A 37 TYR OH : rot -101:sc= 1.16 USER MOD Single : A 38 SER OG : rot -93:sc= 0.0314 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= -0.25 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0789 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -2.08 K(o=-2.1,f=-8.1!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0.79 K(o=0.79,f=-6.4!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0.454 K(o=0.45,f=-5.7!) USER MOD Single : A 69 MET CE :methyl 157:sc= 0 (180deg=-0.728) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 10:sc= 0.905 USER MOD Single : A 83 SER OG : rot 180:sc= -0.103 USER MOD Single : A 91 LYS NZ :NH3+ 153:sc= 1.14 (180deg=0.308) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.420 -3.905 1.354 1.00 0.00 N ATOM 2 CA ALA A 1 16.197 -4.198 0.149 1.00 0.00 C ATOM 3 C ALA A 1 15.367 -5.039 -0.817 1.00 0.00 C ATOM 4 O ALA A 1 15.535 -6.251 -0.898 1.00 0.00 O ATOM 5 CB ALA A 1 17.508 -4.850 0.545 1.00 0.00 C ATOM 0 H1 ALA A 1 15.914 -3.185 1.919 1.00 0.00 H new ATOM 0 H2 ALA A 1 14.481 -3.549 1.084 1.00 0.00 H new ATOM 0 H3 ALA A 1 15.312 -4.773 1.917 1.00 0.00 H new ATOM 0 HA ALA A 1 16.445 -3.279 -0.382 1.00 0.00 H new ATOM 0 HB1 ALA A 1 18.090 -5.070 -0.350 1.00 0.00 H new ATOM 0 HB2 ALA A 1 18.072 -4.173 1.187 1.00 0.00 H new ATOM 0 HB3 ALA A 1 17.306 -5.776 1.083 1.00 0.00 H new ATOM 12 N THR A 2 14.472 -4.367 -1.542 1.00 0.00 N ATOM 13 CA THR A 2 13.774 -4.910 -2.706 1.00 0.00 C ATOM 14 C THR A 2 13.025 -6.212 -2.407 1.00 0.00 C ATOM 15 O THR A 2 13.439 -7.303 -2.795 1.00 0.00 O ATOM 16 CB THR A 2 14.756 -4.965 -3.881 1.00 0.00 C ATOM 17 OG1 THR A 2 15.300 -3.667 -4.014 1.00 0.00 O ATOM 18 CG2 THR A 2 14.106 -5.366 -5.207 1.00 0.00 C ATOM 0 H THR A 2 14.206 -3.405 -1.330 1.00 0.00 H new ATOM 0 HA THR A 2 12.961 -4.245 -2.996 1.00 0.00 H new ATOM 0 HB THR A 2 15.506 -5.727 -3.668 1.00 0.00 H new ATOM 0 HG1 THR A 2 14.808 -3.175 -4.704 1.00 0.00 H new ATOM 0 HG21 THR A 2 14.862 -5.383 -5.992 1.00 0.00 H new ATOM 0 HG22 THR A 2 13.661 -6.356 -5.109 1.00 0.00 H new ATOM 0 HG23 THR A 2 13.331 -4.644 -5.465 1.00 0.00 H new ATOM 26 N TYR A 3 11.890 -6.071 -1.718 1.00 0.00 N ATOM 27 CA TYR A 3 11.120 -7.184 -1.177 1.00 0.00 C ATOM 28 C TYR A 3 9.944 -7.576 -2.063 1.00 0.00 C ATOM 29 O TYR A 3 9.529 -6.818 -2.932 1.00 0.00 O ATOM 30 CB TYR A 3 10.621 -6.804 0.210 1.00 0.00 C ATOM 31 CG TYR A 3 11.731 -6.398 1.152 1.00 0.00 C ATOM 32 CD1 TYR A 3 12.681 -7.344 1.583 1.00 0.00 C ATOM 33 CD2 TYR A 3 11.826 -5.064 1.580 1.00 0.00 C ATOM 34 CE1 TYR A 3 13.644 -6.980 2.539 1.00 0.00 C ATOM 35 CE2 TYR A 3 12.762 -4.717 2.564 1.00 0.00 C ATOM 36 CZ TYR A 3 13.618 -5.694 3.097 1.00 0.00 C ATOM 37 OH TYR A 3 14.344 -5.414 4.212 1.00 0.00 O ATOM 0 H TYR A 3 11.476 -5.160 -1.519 1.00 0.00 H new ATOM 0 HA TYR A 3 11.777 -8.053 -1.129 1.00 0.00 H new ATOM 0 HB2 TYR A 3 9.910 -5.982 0.121 1.00 0.00 H new ATOM 0 HB3 TYR A 3 10.080 -7.648 0.638 1.00 0.00 H new ATOM 0 HD1 TYR A 3 12.669 -8.346 1.180 1.00 0.00 H new ATOM 0 HD2 TYR A 3 11.182 -4.310 1.153 1.00 0.00 H new ATOM 0 HE1 TYR A 3 14.401 -7.688 2.843 1.00 0.00 H new ATOM 0 HE2 TYR A 3 12.825 -3.697 2.913 1.00 0.00 H new ATOM 0 HH TYR A 3 13.744 -5.115 4.927 1.00 0.00 H new ATOM 47 N ASN A 4 9.417 -8.777 -1.816 1.00 0.00 N ATOM 48 CA ASN A 4 8.372 -9.448 -2.576 1.00 0.00 C ATOM 49 C ASN A 4 7.003 -9.003 -2.063 1.00 0.00 C ATOM 50 O ASN A 4 6.410 -9.683 -1.223 1.00 0.00 O ATOM 51 CB ASN A 4 8.594 -10.949 -2.361 1.00 0.00 C ATOM 52 CG ASN A 4 7.732 -11.851 -3.227 1.00 0.00 C ATOM 53 OD1 ASN A 4 8.226 -12.516 -4.132 1.00 0.00 O ATOM 54 ND2 ASN A 4 6.454 -11.926 -2.898 1.00 0.00 N ATOM 0 H ASN A 4 9.733 -9.340 -1.026 1.00 0.00 H new ATOM 0 HA ASN A 4 8.407 -9.206 -3.638 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.642 -11.178 -2.553 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.403 -11.184 -1.314 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.833 -12.557 -3.405 1.00 0.00 H new ATOM 0 HD22 ASN A 4 6.089 -11.353 -2.137 1.00 0.00 H new ATOM 61 N VAL A 5 6.519 -7.848 -2.512 1.00 0.00 N ATOM 62 CA VAL A 5 5.323 -7.241 -1.946 1.00 0.00 C ATOM 63 C VAL A 5 4.079 -7.764 -2.656 1.00 0.00 C ATOM 64 O VAL A 5 3.714 -7.256 -3.716 1.00 0.00 O ATOM 65 CB VAL A 5 5.431 -5.709 -1.993 1.00 0.00 C ATOM 66 CG1 VAL A 5 4.140 -5.051 -1.472 1.00 0.00 C ATOM 67 CG2 VAL A 5 6.652 -5.278 -1.169 1.00 0.00 C ATOM 0 H VAL A 5 6.941 -7.313 -3.271 1.00 0.00 H new ATOM 0 HA VAL A 5 5.233 -7.522 -0.897 1.00 0.00 H new ATOM 0 HB VAL A 5 5.560 -5.380 -3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.241 -3.967 -1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.298 -5.362 -2.091 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.966 -5.358 -0.441 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.742 -4.192 -1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.530 -5.609 -0.138 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.552 -5.726 -1.590 1.00 0.00 H new ATOM 77 N LYS A 6 3.383 -8.746 -2.066 1.00 0.00 N ATOM 78 CA LYS A 6 2.122 -9.168 -2.636 1.00 0.00 C ATOM 79 C LYS A 6 1.069 -8.082 -2.483 1.00 0.00 C ATOM 80 O LYS A 6 0.779 -7.638 -1.370 1.00 0.00 O ATOM 81 CB LYS A 6 1.636 -10.495 -2.069 1.00 0.00 C ATOM 82 CG LYS A 6 0.430 -10.925 -2.914 1.00 0.00 C ATOM 83 CD LYS A 6 -0.281 -12.143 -2.356 1.00 0.00 C ATOM 84 CE LYS A 6 0.659 -13.343 -2.279 1.00 0.00 C ATOM 85 NZ LYS A 6 -0.120 -14.598 -2.330 1.00 0.00 N ATOM 0 H LYS A 6 3.670 -9.242 -1.222 1.00 0.00 H new ATOM 0 HA LYS A 6 2.294 -9.333 -3.700 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.425 -11.246 -2.112 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.355 -10.388 -1.021 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.276 -10.097 -2.978 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.763 -11.139 -3.930 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.669 -11.918 -1.363 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.137 -12.388 -2.985 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.370 -13.312 -3.105 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.239 -13.302 -1.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.530 -15.410 -2.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.745 -14.653 -1.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.694 -14.615 -3.197 1.00 0.00 H new ATOM 99 N LEU A 7 0.444 -7.747 -3.615 1.00 0.00 N ATOM 100 CA LEU A 7 -0.754 -6.952 -3.672 1.00 0.00 C ATOM 101 C LEU A 7 -1.889 -7.881 -4.052 1.00 0.00 C ATOM 102 O LEU A 7 -1.911 -8.347 -5.187 1.00 0.00 O ATOM 103 CB LEU A 7 -0.551 -5.855 -4.714 1.00 0.00 C ATOM 104 CG LEU A 7 0.625 -4.912 -4.443 1.00 0.00 C ATOM 105 CD1 LEU A 7 0.590 -3.839 -5.524 1.00 0.00 C ATOM 106 CD2 LEU A 7 0.610 -4.277 -3.056 1.00 0.00 C ATOM 0 H LEU A 7 0.778 -8.036 -4.534 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.985 -6.475 -2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.405 -6.323 -5.688 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.464 -5.263 -4.779 1.00 0.00 H new ATOM 0 HG LEU A 7 1.547 -5.493 -4.469 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.413 -3.141 -5.371 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.688 -4.306 -6.504 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.356 -3.301 -5.472 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.476 -3.624 -2.945 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.302 -3.694 -2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.646 -5.059 -2.297 1.00 0.00 H new ATOM 118 N ILE A 8 -2.800 -8.169 -3.115 1.00 0.00 N ATOM 119 CA ILE A 8 -4.045 -8.862 -3.377 1.00 0.00 C ATOM 120 C ILE A 8 -4.973 -7.811 -3.977 1.00 0.00 C ATOM 121 O ILE A 8 -5.616 -7.030 -3.274 1.00 0.00 O ATOM 122 CB ILE A 8 -4.555 -9.531 -2.086 1.00 0.00 C ATOM 123 CG1 ILE A 8 -3.586 -10.633 -1.627 1.00 0.00 C ATOM 124 CG2 ILE A 8 -5.970 -10.103 -2.259 1.00 0.00 C ATOM 125 CD1 ILE A 8 -3.651 -10.873 -0.120 1.00 0.00 C ATOM 0 H ILE A 8 -2.679 -7.916 -2.134 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.955 -9.689 -4.082 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.602 -8.759 -1.318 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.820 -11.560 -2.150 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.569 -10.358 -1.905 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.292 -10.566 -1.326 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.658 -9.299 -2.522 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.966 -10.851 -3.052 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.948 -11.660 0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.390 -9.955 0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.661 -11.176 0.157 1.00 0.00 H new ATOM 137 N THR A 9 -4.957 -7.725 -5.303 1.00 0.00 N ATOM 138 CA THR A 9 -5.844 -6.883 -6.068 1.00 0.00 C ATOM 139 C THR A 9 -7.122 -7.670 -6.372 1.00 0.00 C ATOM 140 O THR A 9 -7.050 -8.899 -6.454 1.00 0.00 O ATOM 141 CB THR A 9 -5.142 -6.521 -7.370 1.00 0.00 C ATOM 142 OG1 THR A 9 -4.707 -7.713 -7.998 1.00 0.00 O ATOM 143 CG2 THR A 9 -3.864 -5.723 -7.128 1.00 0.00 C ATOM 0 H THR A 9 -4.307 -8.256 -5.882 1.00 0.00 H new ATOM 0 HA THR A 9 -6.098 -5.977 -5.517 1.00 0.00 H new ATOM 0 HB THR A 9 -5.852 -5.943 -7.962 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.254 -7.493 -8.839 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.396 -5.487 -8.084 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.106 -4.798 -6.604 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.175 -6.313 -6.523 1.00 0.00 H new ATOM 151 N PRO A 10 -8.258 -6.993 -6.606 1.00 0.00 N ATOM 152 CA PRO A 10 -9.540 -7.614 -6.910 1.00 0.00 C ATOM 153 C PRO A 10 -9.456 -8.602 -8.077 1.00 0.00 C ATOM 154 O PRO A 10 -10.100 -9.647 -8.066 1.00 0.00 O ATOM 155 CB PRO A 10 -10.493 -6.467 -7.225 1.00 0.00 C ATOM 156 CG PRO A 10 -9.875 -5.262 -6.549 1.00 0.00 C ATOM 157 CD PRO A 10 -8.392 -5.549 -6.591 1.00 0.00 C ATOM 0 HA PRO A 10 -9.885 -8.208 -6.064 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.587 -6.314 -8.300 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.494 -6.667 -6.842 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.119 -4.339 -7.075 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.232 -5.150 -5.525 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.935 -5.107 -7.476 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.888 -5.121 -5.725 1.00 0.00 H new ATOM 165 N ASP A 11 -8.633 -8.249 -9.069 1.00 0.00 N ATOM 166 CA ASP A 11 -8.269 -9.024 -10.246 1.00 0.00 C ATOM 167 C ASP A 11 -7.863 -10.440 -9.867 1.00 0.00 C ATOM 168 O ASP A 11 -8.132 -11.398 -10.588 1.00 0.00 O ATOM 169 CB ASP A 11 -7.078 -8.322 -10.905 1.00 0.00 C ATOM 170 CG ASP A 11 -7.530 -7.085 -11.658 1.00 0.00 C ATOM 171 OD1 ASP A 11 -7.858 -6.111 -10.946 1.00 0.00 O ATOM 172 OD2 ASP A 11 -7.556 -7.145 -12.905 1.00 0.00 O ATOM 0 H ASP A 11 -8.170 -7.340 -9.064 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.123 -9.088 -10.920 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.348 -8.044 -10.145 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.579 -9.008 -11.590 1.00 0.00 H new ATOM 177 N GLY A 12 -7.190 -10.537 -8.724 1.00 0.00 N ATOM 178 CA GLY A 12 -6.771 -11.765 -8.105 1.00 0.00 C ATOM 179 C GLY A 12 -5.253 -11.784 -7.999 1.00 0.00 C ATOM 180 O GLY A 12 -4.603 -12.616 -8.625 1.00 0.00 O ATOM 0 H GLY A 12 -6.915 -9.714 -8.188 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -7.217 -11.857 -7.115 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.117 -12.617 -8.691 1.00 0.00 H new ATOM 184 N GLU A 13 -4.725 -10.854 -7.191 1.00 0.00 N ATOM 185 CA GLU A 13 -3.322 -10.692 -6.841 1.00 0.00 C ATOM 186 C GLU A 13 -2.471 -10.208 -8.016 1.00 0.00 C ATOM 187 O GLU A 13 -2.878 -10.262 -9.174 1.00 0.00 O ATOM 188 CB GLU A 13 -2.754 -11.987 -6.260 1.00 0.00 C ATOM 189 CG GLU A 13 -3.407 -12.440 -4.950 1.00 0.00 C ATOM 190 CD GLU A 13 -3.086 -13.896 -4.615 1.00 0.00 C ATOM 191 OE1 GLU A 13 -1.942 -14.157 -4.171 1.00 0.00 O ATOM 192 OE2 GLU A 13 -3.995 -14.732 -4.774 1.00 0.00 O ATOM 0 H GLU A 13 -5.312 -10.153 -6.739 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.278 -9.914 -6.079 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.865 -12.780 -6.999 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.685 -11.856 -6.091 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.067 -11.799 -4.137 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.487 -12.316 -5.023 1.00 0.00 H new ATOM 199 N VAL A 14 -1.258 -9.751 -7.692 1.00 0.00 N ATOM 200 CA VAL A 14 -0.235 -9.451 -8.681 1.00 0.00 C ATOM 201 C VAL A 14 1.157 -9.811 -8.163 1.00 0.00 C ATOM 202 O VAL A 14 1.820 -10.670 -8.740 1.00 0.00 O ATOM 203 CB VAL A 14 -0.403 -8.013 -9.200 1.00 0.00 C ATOM 204 CG1 VAL A 14 -0.379 -6.907 -8.150 1.00 0.00 C ATOM 205 CG2 VAL A 14 0.590 -7.688 -10.314 1.00 0.00 C ATOM 0 H VAL A 14 -0.963 -9.580 -6.731 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.361 -10.086 -9.558 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.421 -8.017 -9.589 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.507 -5.940 -8.637 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.189 -7.064 -7.438 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.576 -6.925 -7.624 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.436 -6.663 -10.651 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.607 -7.798 -9.938 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.436 -8.371 -11.149 1.00 0.00 H new ATOM 215 N GLU A 15 1.565 -9.189 -7.053 1.00 0.00 N ATOM 216 CA GLU A 15 2.912 -9.276 -6.485 1.00 0.00 C ATOM 217 C GLU A 15 3.924 -8.534 -7.360 1.00 0.00 C ATOM 218 O GLU A 15 3.765 -8.462 -8.578 1.00 0.00 O ATOM 219 CB GLU A 15 3.295 -10.741 -6.188 1.00 0.00 C ATOM 220 CG GLU A 15 4.359 -10.939 -5.102 1.00 0.00 C ATOM 221 CD GLU A 15 5.750 -10.513 -5.550 1.00 0.00 C ATOM 222 OE1 GLU A 15 6.260 -11.103 -6.525 1.00 0.00 O ATOM 223 OE2 GLU A 15 6.272 -9.576 -4.913 1.00 0.00 O ATOM 0 H GLU A 15 0.945 -8.591 -6.507 1.00 0.00 H new ATOM 0 HA GLU A 15 2.925 -8.767 -5.521 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.395 -11.281 -5.893 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.653 -11.199 -7.110 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.078 -10.369 -4.217 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.382 -11.989 -4.811 1.00 0.00 H new ATOM 230 N PHE A 16 4.930 -7.920 -6.732 1.00 0.00 N ATOM 231 CA PHE A 16 5.971 -7.171 -7.410 1.00 0.00 C ATOM 232 C PHE A 16 7.092 -6.822 -6.439 1.00 0.00 C ATOM 233 O PHE A 16 6.902 -6.819 -5.219 1.00 0.00 O ATOM 234 CB PHE A 16 5.422 -5.945 -8.127 1.00 0.00 C ATOM 235 CG PHE A 16 5.250 -4.759 -7.225 1.00 0.00 C ATOM 236 CD1 PHE A 16 4.314 -4.814 -6.183 1.00 0.00 C ATOM 237 CD2 PHE A 16 6.176 -3.708 -7.292 1.00 0.00 C ATOM 238 CE1 PHE A 16 4.263 -3.778 -5.247 1.00 0.00 C ATOM 239 CE2 PHE A 16 6.109 -2.665 -6.367 1.00 0.00 C ATOM 240 CZ PHE A 16 5.117 -2.670 -5.374 1.00 0.00 C ATOM 0 H PHE A 16 5.039 -7.935 -5.718 1.00 0.00 H new ATOM 0 HA PHE A 16 6.392 -7.807 -8.189 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.094 -5.678 -8.943 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.460 -6.195 -8.575 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.637 -5.652 -6.104 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.938 -3.706 -8.057 1.00 0.00 H new ATOM 0 HE1 PHE A 16 3.565 -3.829 -4.424 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.821 -1.854 -6.415 1.00 0.00 H new ATOM 0 HZ PHE A 16 5.011 -1.825 -4.710 1.00 0.00 H new ATOM 250 N LYS A 17 8.274 -6.535 -6.987 1.00 0.00 N ATOM 251 CA LYS A 17 9.418 -6.221 -6.160 1.00 0.00 C ATOM 252 C LYS A 17 9.381 -4.748 -5.794 1.00 0.00 C ATOM 253 O LYS A 17 9.377 -3.895 -6.674 1.00 0.00 O ATOM 254 CB LYS A 17 10.721 -6.659 -6.844 1.00 0.00 C ATOM 255 CG LYS A 17 11.469 -7.681 -5.979 1.00 0.00 C ATOM 256 CD LYS A 17 10.664 -8.967 -5.731 1.00 0.00 C ATOM 257 CE LYS A 17 11.031 -10.123 -6.664 1.00 0.00 C ATOM 258 NZ LYS A 17 10.529 -9.896 -8.033 1.00 0.00 N ATOM 0 H LYS A 17 8.454 -6.516 -7.991 1.00 0.00 H new ATOM 0 HA LYS A 17 9.378 -6.783 -5.227 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.498 -7.094 -7.818 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.355 -5.790 -7.020 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.411 -7.937 -6.463 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.717 -7.224 -5.021 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.816 -9.285 -4.699 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.603 -8.746 -5.844 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.114 -10.242 -6.688 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.617 -11.052 -6.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.675 -10.753 -8.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.514 -9.673 -7.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.044 -9.102 -8.464 1.00 0.00 H new ATOM 272 N CYS A 18 9.357 -4.451 -4.497 1.00 0.00 N ATOM 273 CA CYS A 18 9.325 -3.083 -4.008 1.00 0.00 C ATOM 274 C CYS A 18 10.533 -2.805 -3.133 1.00 0.00 C ATOM 275 O CYS A 18 10.745 -3.474 -2.118 1.00 0.00 O ATOM 276 CB CYS A 18 8.029 -2.790 -3.278 1.00 0.00 C ATOM 277 SG CYS A 18 7.854 -0.983 -3.207 1.00 0.00 S ATOM 0 H CYS A 18 9.359 -5.155 -3.759 1.00 0.00 H new ATOM 0 HA CYS A 18 9.369 -2.412 -4.866 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.183 -3.239 -3.799 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.047 -3.215 -2.274 1.00 0.00 H new ATOM 0 HG CYS A 18 8.881 -0.471 -2.597 1.00 0.00 H new ATOM 283 N ASP A 19 11.329 -1.821 -3.544 1.00 0.00 N ATOM 284 CA ASP A 19 12.458 -1.332 -2.778 1.00 0.00 C ATOM 285 C ASP A 19 11.928 -0.689 -1.505 1.00 0.00 C ATOM 286 O ASP A 19 10.916 0.005 -1.515 1.00 0.00 O ATOM 287 CB ASP A 19 13.322 -0.349 -3.584 1.00 0.00 C ATOM 288 CG ASP A 19 13.848 -0.896 -4.904 1.00 0.00 C ATOM 289 OD1 ASP A 19 13.516 -2.059 -5.237 1.00 0.00 O ATOM 290 OD2 ASP A 19 14.587 -0.144 -5.568 1.00 0.00 O ATOM 0 H ASP A 19 11.201 -1.338 -4.433 1.00 0.00 H new ATOM 0 HA ASP A 19 13.110 -2.169 -2.528 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.735 0.547 -3.786 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.169 -0.044 -2.970 1.00 0.00 H new ATOM 295 N ASP A 20 12.649 -0.888 -0.414 1.00 0.00 N ATOM 296 CA ASP A 20 12.468 -0.200 0.858 1.00 0.00 C ATOM 297 C ASP A 20 12.536 1.313 0.673 1.00 0.00 C ATOM 298 O ASP A 20 11.861 2.055 1.377 1.00 0.00 O ATOM 299 CB ASP A 20 13.467 -0.703 1.928 1.00 0.00 C ATOM 300 CG ASP A 20 14.846 -1.143 1.474 1.00 0.00 C ATOM 301 OD1 ASP A 20 14.997 -1.526 0.294 1.00 0.00 O ATOM 302 OD2 ASP A 20 15.643 -1.561 2.343 1.00 0.00 O ATOM 0 H ASP A 20 13.412 -1.564 -0.388 1.00 0.00 H new ATOM 0 HA ASP A 20 11.471 -0.438 1.229 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.597 0.092 2.662 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.004 -1.543 2.446 1.00 0.00 H new ATOM 307 N ASP A 21 13.323 1.757 -0.304 1.00 0.00 N ATOM 308 CA ASP A 21 13.525 3.161 -0.617 1.00 0.00 C ATOM 309 C ASP A 21 12.484 3.685 -1.612 1.00 0.00 C ATOM 310 O ASP A 21 12.491 4.882 -1.894 1.00 0.00 O ATOM 311 CB ASP A 21 14.947 3.361 -1.170 1.00 0.00 C ATOM 312 CG ASP A 21 16.059 3.172 -0.141 1.00 0.00 C ATOM 313 OD1 ASP A 21 15.765 3.259 1.071 1.00 0.00 O ATOM 314 OD2 ASP A 21 17.206 2.965 -0.594 1.00 0.00 O ATOM 0 H ASP A 21 13.849 1.131 -0.913 1.00 0.00 H new ATOM 0 HA ASP A 21 13.403 3.734 0.302 1.00 0.00 H new ATOM 0 HB2 ASP A 21 15.106 2.661 -1.991 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.023 4.365 -1.588 1.00 0.00 H new ATOM 319 N VAL A 22 11.601 2.834 -2.163 1.00 0.00 N ATOM 320 CA VAL A 22 10.596 3.262 -3.135 1.00 0.00 C ATOM 321 C VAL A 22 9.197 2.989 -2.596 1.00 0.00 C ATOM 322 O VAL A 22 8.977 2.049 -1.834 1.00 0.00 O ATOM 323 CB VAL A 22 10.837 2.618 -4.514 1.00 0.00 C ATOM 324 CG1 VAL A 22 10.259 1.207 -4.644 1.00 0.00 C ATOM 325 CG2 VAL A 22 10.197 3.464 -5.614 1.00 0.00 C ATOM 0 H VAL A 22 11.569 1.838 -1.945 1.00 0.00 H new ATOM 0 HA VAL A 22 10.686 4.338 -3.284 1.00 0.00 H new ATOM 0 HB VAL A 22 11.921 2.562 -4.617 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.468 0.819 -5.641 1.00 0.00 H new ATOM 0 HG12 VAL A 22 10.716 0.556 -3.898 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.181 1.239 -4.485 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.375 2.997 -6.583 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.124 3.537 -5.439 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.635 4.462 -5.607 1.00 0.00 H new ATOM 335 N TYR A 23 8.239 3.826 -2.986 1.00 0.00 N ATOM 336 CA TYR A 23 6.879 3.661 -2.525 1.00 0.00 C ATOM 337 C TYR A 23 6.217 2.452 -3.181 1.00 0.00 C ATOM 338 O TYR A 23 6.506 2.141 -4.339 1.00 0.00 O ATOM 339 CB TYR A 23 6.073 4.921 -2.812 1.00 0.00 C ATOM 340 CG TYR A 23 6.559 6.183 -2.121 1.00 0.00 C ATOM 341 CD1 TYR A 23 6.696 6.216 -0.720 1.00 0.00 C ATOM 342 CD2 TYR A 23 6.736 7.366 -2.864 1.00 0.00 C ATOM 343 CE1 TYR A 23 6.910 7.439 -0.062 1.00 0.00 C ATOM 344 CE2 TYR A 23 7.041 8.572 -2.209 1.00 0.00 C ATOM 345 CZ TYR A 23 7.109 8.611 -0.805 1.00 0.00 C ATOM 346 OH TYR A 23 7.324 9.794 -0.164 1.00 0.00 O ATOM 0 H TYR A 23 8.385 4.616 -3.615 1.00 0.00 H new ATOM 0 HA TYR A 23 6.904 3.489 -1.449 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.074 5.094 -3.888 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.038 4.743 -2.519 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.637 5.300 -0.151 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.637 7.347 -3.939 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.921 7.476 1.017 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.223 9.468 -2.784 1.00 0.00 H new ATOM 0 HH TYR A 23 6.499 10.080 0.281 1.00 0.00 H new ATOM 356 N VAL A 24 5.271 1.815 -2.479 1.00 0.00 N ATOM 357 CA VAL A 24 4.491 0.696 -3.015 1.00 0.00 C ATOM 358 C VAL A 24 3.420 1.178 -4.002 1.00 0.00 C ATOM 359 O VAL A 24 2.232 0.898 -3.855 1.00 0.00 O ATOM 360 CB VAL A 24 3.829 -0.121 -1.889 1.00 0.00 C ATOM 361 CG1 VAL A 24 3.466 -1.525 -2.384 1.00 0.00 C ATOM 362 CG2 VAL A 24 4.715 -0.321 -0.666 1.00 0.00 C ATOM 0 H VAL A 24 5.026 2.063 -1.521 1.00 0.00 H new ATOM 0 HA VAL A 24 5.191 0.052 -3.548 1.00 0.00 H new ATOM 0 HB VAL A 24 2.954 0.464 -1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.000 -2.087 -1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.771 -1.448 -3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.369 -2.041 -2.710 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.178 -0.905 0.081 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.622 -0.850 -0.957 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.980 0.649 -0.246 1.00 0.00 H new ATOM 372 N LEU A 25 3.859 1.886 -5.033 1.00 0.00 N ATOM 373 CA LEU A 25 3.041 2.362 -6.128 1.00 0.00 C ATOM 374 C LEU A 25 3.986 2.753 -7.242 1.00 0.00 C ATOM 375 O LEU A 25 3.839 2.265 -8.352 1.00 0.00 O ATOM 376 CB LEU A 25 2.145 3.521 -5.692 1.00 0.00 C ATOM 377 CG LEU A 25 1.326 4.122 -6.844 1.00 0.00 C ATOM 378 CD1 LEU A 25 0.194 4.952 -6.250 1.00 0.00 C ATOM 379 CD2 LEU A 25 2.113 5.097 -7.720 1.00 0.00 C ATOM 0 H LEU A 25 4.839 2.153 -5.129 1.00 0.00 H new ATOM 0 HA LEU A 25 2.359 1.585 -6.473 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.465 3.173 -4.915 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.763 4.302 -5.249 1.00 0.00 H new ATOM 0 HG LEU A 25 1.000 3.277 -7.450 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.399 5.387 -7.054 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.441 4.314 -5.635 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.611 5.749 -5.635 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.467 5.479 -8.511 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.470 5.927 -7.110 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.964 4.581 -8.164 1.00 0.00 H new ATOM 391 N ASP A 26 4.976 3.598 -6.942 1.00 0.00 N ATOM 392 CA ASP A 26 5.886 4.127 -7.955 1.00 0.00 C ATOM 393 C ASP A 26 6.489 2.981 -8.773 1.00 0.00 C ATOM 394 O ASP A 26 6.323 2.901 -9.990 1.00 0.00 O ATOM 395 CB ASP A 26 6.965 5.005 -7.296 1.00 0.00 C ATOM 396 CG ASP A 26 6.768 6.474 -7.649 1.00 0.00 C ATOM 397 OD1 ASP A 26 5.877 7.094 -7.028 1.00 0.00 O ATOM 398 OD2 ASP A 26 7.509 6.951 -8.532 1.00 0.00 O ATOM 0 H ASP A 26 5.166 3.931 -5.997 1.00 0.00 H new ATOM 0 HA ASP A 26 5.331 4.762 -8.646 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.929 4.880 -6.214 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.953 4.679 -7.622 1.00 0.00 H new ATOM 403 N GLN A 27 7.138 2.041 -8.082 1.00 0.00 N ATOM 404 CA GLN A 27 7.723 0.873 -8.711 1.00 0.00 C ATOM 405 C GLN A 27 6.634 -0.102 -9.188 1.00 0.00 C ATOM 406 O GLN A 27 6.852 -0.875 -10.113 1.00 0.00 O ATOM 407 CB GLN A 27 8.724 0.282 -7.712 1.00 0.00 C ATOM 408 CG GLN A 27 9.513 -0.901 -8.272 1.00 0.00 C ATOM 409 CD GLN A 27 10.946 -0.936 -7.724 1.00 0.00 C ATOM 410 OE1 GLN A 27 11.764 -0.108 -8.107 1.00 0.00 O ATOM 411 NE2 GLN A 27 11.257 -1.861 -6.818 1.00 0.00 N ATOM 0 H GLN A 27 7.268 2.076 -7.071 1.00 0.00 H new ATOM 0 HA GLN A 27 8.263 1.125 -9.624 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.421 1.061 -7.404 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.188 -0.038 -6.818 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.004 -1.831 -8.019 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.541 -0.838 -9.360 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.555 -2.538 -6.518 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.197 -1.893 -6.424 1.00 0.00 H new ATOM 420 N ALA A 28 5.442 -0.047 -8.590 1.00 0.00 N ATOM 421 CA ALA A 28 4.302 -0.853 -9.003 1.00 0.00 C ATOM 422 C ALA A 28 3.884 -0.487 -10.431 1.00 0.00 C ATOM 423 O ALA A 28 3.814 -1.365 -11.292 1.00 0.00 O ATOM 424 CB ALA A 28 3.163 -0.668 -7.999 1.00 0.00 C ATOM 0 H ALA A 28 5.244 0.565 -7.799 1.00 0.00 H new ATOM 0 HA ALA A 28 4.573 -1.909 -9.012 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.307 -1.270 -8.305 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.495 -0.985 -7.010 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.874 0.383 -7.966 1.00 0.00 H new ATOM 430 N GLU A 29 3.628 0.803 -10.689 1.00 0.00 N ATOM 431 CA GLU A 29 3.291 1.316 -12.010 1.00 0.00 C ATOM 432 C GLU A 29 4.304 0.778 -13.024 1.00 0.00 C ATOM 433 O GLU A 29 3.913 0.255 -14.065 1.00 0.00 O ATOM 434 CB GLU A 29 3.282 2.857 -12.045 1.00 0.00 C ATOM 435 CG GLU A 29 2.061 3.491 -11.364 1.00 0.00 C ATOM 436 CD GLU A 29 1.986 4.995 -11.644 1.00 0.00 C ATOM 437 OE1 GLU A 29 1.650 5.345 -12.794 1.00 0.00 O ATOM 438 OE2 GLU A 29 2.267 5.795 -10.722 1.00 0.00 O ATOM 0 H GLU A 29 3.652 1.525 -9.969 1.00 0.00 H new ATOM 0 HA GLU A 29 2.285 0.980 -12.262 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.187 3.226 -11.562 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.318 3.187 -13.083 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.151 3.007 -11.720 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.113 3.321 -10.289 1.00 0.00 H new ATOM 445 N GLU A 30 5.597 0.858 -12.686 1.00 0.00 N ATOM 446 CA GLU A 30 6.681 0.347 -13.517 1.00 0.00 C ATOM 447 C GLU A 30 6.501 -1.122 -13.902 1.00 0.00 C ATOM 448 O GLU A 30 6.794 -1.501 -15.035 1.00 0.00 O ATOM 449 CB GLU A 30 8.046 0.635 -12.878 1.00 0.00 C ATOM 450 CG GLU A 30 8.324 2.141 -12.719 1.00 0.00 C ATOM 451 CD GLU A 30 8.855 2.771 -14.002 1.00 0.00 C ATOM 452 OE1 GLU A 30 8.033 3.005 -14.913 1.00 0.00 O ATOM 453 OE2 GLU A 30 10.083 3.001 -14.054 1.00 0.00 O ATOM 0 H GLU A 30 5.918 1.285 -11.817 1.00 0.00 H new ATOM 0 HA GLU A 30 6.644 0.890 -14.461 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.093 0.156 -11.900 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.830 0.188 -13.489 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.406 2.648 -12.421 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.046 2.292 -11.917 1.00 0.00 H new ATOM 460 N GLU A 31 6.007 -1.956 -12.986 1.00 0.00 N ATOM 461 CA GLU A 31 5.789 -3.372 -13.277 1.00 0.00 C ATOM 462 C GLU A 31 4.493 -3.546 -14.069 1.00 0.00 C ATOM 463 O GLU A 31 4.324 -4.517 -14.804 1.00 0.00 O ATOM 464 CB GLU A 31 5.764 -4.179 -11.976 1.00 0.00 C ATOM 465 CG GLU A 31 6.976 -3.814 -11.106 1.00 0.00 C ATOM 466 CD GLU A 31 7.910 -5.001 -10.813 1.00 0.00 C ATOM 467 OE1 GLU A 31 8.257 -5.697 -11.789 1.00 0.00 O ATOM 468 OE2 GLU A 31 8.252 -5.230 -9.626 1.00 0.00 O ATOM 0 H GLU A 31 5.751 -1.676 -12.039 1.00 0.00 H new ATOM 0 HA GLU A 31 6.610 -3.748 -13.887 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.842 -3.977 -11.431 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.775 -5.246 -12.200 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.546 -3.030 -11.604 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.622 -3.400 -10.162 1.00 0.00 H new ATOM 475 N GLY A 32 3.579 -2.591 -13.898 1.00 0.00 N ATOM 476 CA GLY A 32 2.308 -2.494 -14.598 1.00 0.00 C ATOM 477 C GLY A 32 1.132 -2.484 -13.625 1.00 0.00 C ATOM 478 O GLY A 32 -0.011 -2.667 -14.040 1.00 0.00 O ATOM 0 H GLY A 32 3.716 -1.829 -13.234 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.291 -1.585 -15.200 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.205 -3.333 -15.286 1.00 0.00 H new ATOM 482 N ILE A 33 1.389 -2.300 -12.327 1.00 0.00 N ATOM 483 CA ILE A 33 0.337 -2.371 -11.323 1.00 0.00 C ATOM 484 C ILE A 33 -0.522 -1.109 -11.329 1.00 0.00 C ATOM 485 O ILE A 33 -0.122 -0.059 -10.828 1.00 0.00 O ATOM 486 CB ILE A 33 0.941 -2.619 -9.942 1.00 0.00 C ATOM 487 CG1 ILE A 33 1.646 -3.977 -9.991 1.00 0.00 C ATOM 488 CG2 ILE A 33 -0.141 -2.597 -8.845 1.00 0.00 C ATOM 489 CD1 ILE A 33 2.479 -4.302 -8.762 1.00 0.00 C ATOM 0 H ILE A 33 2.317 -2.101 -11.952 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.315 -3.209 -11.570 1.00 0.00 H new ATOM 0 HB ILE A 33 1.649 -1.829 -9.693 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.896 -4.757 -10.122 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.291 -4.005 -10.869 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.321 -2.777 -7.874 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.633 -1.624 -8.838 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.878 -3.375 -9.045 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.941 -5.282 -8.884 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.256 -3.547 -8.639 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.838 -4.310 -7.880 1.00 0.00 H new ATOM 501 N ASP A 34 -1.753 -1.262 -11.806 1.00 0.00 N ATOM 502 CA ASP A 34 -2.776 -0.231 -11.750 1.00 0.00 C ATOM 503 C ASP A 34 -3.387 -0.184 -10.346 1.00 0.00 C ATOM 504 O ASP A 34 -4.533 -0.582 -10.142 1.00 0.00 O ATOM 505 CB ASP A 34 -3.827 -0.544 -12.818 1.00 0.00 C ATOM 506 CG ASP A 34 -4.829 0.591 -12.990 1.00 0.00 C ATOM 507 OD1 ASP A 34 -4.360 1.734 -13.178 1.00 0.00 O ATOM 508 OD2 ASP A 34 -6.043 0.298 -12.976 1.00 0.00 O ATOM 0 H ASP A 34 -2.071 -2.123 -12.250 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.351 0.752 -11.951 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.330 -0.735 -13.769 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.358 -1.457 -12.547 1.00 0.00 H new ATOM 513 N ILE A 35 -2.620 0.251 -9.339 1.00 0.00 N ATOM 514 CA ILE A 35 -3.197 0.451 -8.014 1.00 0.00 C ATOM 515 C ILE A 35 -4.232 1.591 -8.105 1.00 0.00 C ATOM 516 O ILE A 35 -4.150 2.427 -9.006 1.00 0.00 O ATOM 517 CB ILE A 35 -2.081 0.667 -6.963 1.00 0.00 C ATOM 518 CG1 ILE A 35 -2.004 -0.426 -5.885 1.00 0.00 C ATOM 519 CG2 ILE A 35 -1.992 2.096 -6.411 1.00 0.00 C ATOM 520 CD1 ILE A 35 -0.679 -0.409 -5.105 1.00 0.00 C ATOM 0 H ILE A 35 -1.626 0.465 -9.416 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.729 -0.435 -7.669 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.162 0.546 -7.536 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.832 -0.299 -5.187 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.130 -1.401 -6.355 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.184 2.155 -5.682 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.795 2.790 -7.228 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.934 2.360 -5.930 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.686 -1.204 -4.359 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.151 -0.565 -5.794 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.562 0.554 -4.608 1.00 0.00 H new ATOM 532 N PRO A 36 -5.209 1.643 -7.189 1.00 0.00 N ATOM 533 CA PRO A 36 -6.292 2.614 -7.203 1.00 0.00 C ATOM 534 C PRO A 36 -5.779 3.992 -6.769 1.00 0.00 C ATOM 535 O PRO A 36 -6.063 4.464 -5.673 1.00 0.00 O ATOM 536 CB PRO A 36 -7.367 2.033 -6.281 1.00 0.00 C ATOM 537 CG PRO A 36 -6.614 1.093 -5.342 1.00 0.00 C ATOM 538 CD PRO A 36 -5.326 0.734 -6.072 1.00 0.00 C ATOM 0 HA PRO A 36 -6.710 2.778 -8.196 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.878 2.819 -5.726 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -8.128 1.498 -6.849 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.403 1.577 -4.389 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.203 0.202 -5.124 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.467 0.826 -5.407 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.353 -0.300 -6.417 1.00 0.00 H new ATOM 546 N TYR A 37 -5.006 4.615 -7.656 1.00 0.00 N ATOM 547 CA TYR A 37 -4.348 5.899 -7.484 1.00 0.00 C ATOM 548 C TYR A 37 -5.329 7.072 -7.649 1.00 0.00 C ATOM 549 O TYR A 37 -6.394 6.933 -8.251 1.00 0.00 O ATOM 550 CB TYR A 37 -3.205 5.944 -8.515 1.00 0.00 C ATOM 551 CG TYR A 37 -2.651 7.316 -8.832 1.00 0.00 C ATOM 552 CD1 TYR A 37 -1.717 7.925 -7.977 1.00 0.00 C ATOM 553 CD2 TYR A 37 -3.221 8.057 -9.886 1.00 0.00 C ATOM 554 CE1 TYR A 37 -1.350 9.263 -8.187 1.00 0.00 C ATOM 555 CE2 TYR A 37 -2.942 9.426 -10.013 1.00 0.00 C ATOM 556 CZ TYR A 37 -2.019 10.035 -9.148 1.00 0.00 C ATOM 557 OH TYR A 37 -1.957 11.392 -9.075 1.00 0.00 O ATOM 0 H TYR A 37 -4.813 4.207 -8.571 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.954 6.003 -6.473 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.389 5.320 -8.151 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.561 5.495 -9.442 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.283 7.365 -7.161 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.873 7.571 -10.597 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.550 9.699 -7.607 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.436 10.010 -10.775 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.788 11.737 -8.687 1.00 0.00 H new ATOM 567 N SER A 38 -4.934 8.248 -7.150 1.00 0.00 N ATOM 568 CA SER A 38 -5.650 9.513 -7.257 1.00 0.00 C ATOM 569 C SER A 38 -4.640 10.657 -7.086 1.00 0.00 C ATOM 570 O SER A 38 -4.428 11.468 -7.992 1.00 0.00 O ATOM 571 CB SER A 38 -6.780 9.548 -6.209 1.00 0.00 C ATOM 572 OG SER A 38 -7.290 10.853 -6.021 1.00 0.00 O ATOM 0 H SER A 38 -4.059 8.342 -6.634 1.00 0.00 H new ATOM 0 HA SER A 38 -6.120 9.626 -8.234 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.587 8.886 -6.524 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.405 9.165 -5.260 1.00 0.00 H new ATOM 0 HG SER A 38 -6.822 11.283 -5.275 1.00 0.00 H new ATOM 578 N CYS A 39 -4.004 10.691 -5.918 1.00 0.00 N ATOM 579 CA CYS A 39 -3.099 11.707 -5.403 1.00 0.00 C ATOM 580 C CYS A 39 -1.698 11.124 -5.207 1.00 0.00 C ATOM 581 O CYS A 39 -1.524 9.910 -5.159 1.00 0.00 O ATOM 582 CB CYS A 39 -3.636 12.265 -4.097 1.00 0.00 C ATOM 583 SG CYS A 39 -5.018 11.419 -3.263 1.00 0.00 S ATOM 0 H CYS A 39 -4.123 9.933 -5.246 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.030 12.519 -6.127 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.805 12.306 -3.393 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.947 13.293 -4.284 1.00 0.00 H new ATOM 588 N ARG A 40 -0.695 12.004 -5.099 1.00 0.00 N ATOM 589 CA ARG A 40 0.693 11.645 -4.819 1.00 0.00 C ATOM 590 C ARG A 40 1.361 12.802 -4.059 1.00 0.00 C ATOM 591 O ARG A 40 2.183 13.531 -4.612 1.00 0.00 O ATOM 592 CB ARG A 40 1.439 11.273 -6.127 1.00 0.00 C ATOM 593 CG ARG A 40 2.042 9.859 -6.073 1.00 0.00 C ATOM 594 CD ARG A 40 3.252 9.720 -7.014 1.00 0.00 C ATOM 595 NE ARG A 40 2.926 9.989 -8.430 1.00 0.00 N ATOM 596 CZ ARG A 40 2.696 9.044 -9.361 1.00 0.00 C ATOM 597 NH1 ARG A 40 2.511 7.787 -8.987 1.00 0.00 N ATOM 598 NH2 ARG A 40 2.651 9.348 -10.662 1.00 0.00 N ATOM 0 H ARG A 40 -0.834 13.009 -5.207 1.00 0.00 H new ATOM 0 HA ARG A 40 0.733 10.758 -4.187 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.749 11.339 -6.968 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.233 11.997 -6.309 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.347 9.632 -5.052 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.281 9.128 -6.348 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.035 10.407 -6.692 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.657 8.712 -6.927 1.00 0.00 H new ATOM 0 HE ARG A 40 2.871 10.964 -8.724 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.543 7.539 -7.998 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.336 7.067 -9.688 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.792 10.311 -10.966 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.475 8.617 -11.351 1.00 0.00 H new ATOM 612 N ALA A 41 0.994 13.004 -2.790 1.00 0.00 N ATOM 613 CA ALA A 41 1.618 14.020 -1.943 1.00 0.00 C ATOM 614 C ALA A 41 1.336 13.742 -0.465 1.00 0.00 C ATOM 615 O ALA A 41 1.005 14.652 0.294 1.00 0.00 O ATOM 616 CB ALA A 41 1.139 15.423 -2.348 1.00 0.00 C ATOM 0 H ALA A 41 0.260 12.470 -2.325 1.00 0.00 H new ATOM 0 HA ALA A 41 2.698 13.977 -2.087 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.612 16.168 -1.708 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.408 15.613 -3.387 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.056 15.484 -2.236 1.00 0.00 H new ATOM 622 N GLY A 42 1.467 12.479 -0.058 1.00 0.00 N ATOM 623 CA GLY A 42 1.225 12.011 1.301 1.00 0.00 C ATOM 624 C GLY A 42 -0.248 12.105 1.711 1.00 0.00 C ATOM 625 O GLY A 42 -0.892 11.082 1.924 1.00 0.00 O ATOM 0 H GLY A 42 1.754 11.731 -0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.556 10.976 1.388 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.828 12.597 1.994 1.00 0.00 H new ATOM 629 N SER A 43 -0.764 13.328 1.854 1.00 0.00 N ATOM 630 CA SER A 43 -2.092 13.622 2.378 1.00 0.00 C ATOM 631 C SER A 43 -3.186 13.139 1.421 1.00 0.00 C ATOM 632 O SER A 43 -3.802 13.952 0.733 1.00 0.00 O ATOM 633 CB SER A 43 -2.197 15.130 2.643 1.00 0.00 C ATOM 634 OG SER A 43 -3.444 15.454 3.223 1.00 0.00 O ATOM 0 H SER A 43 -0.246 14.169 1.598 1.00 0.00 H new ATOM 0 HA SER A 43 -2.240 13.085 3.315 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.391 15.444 3.306 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.073 15.677 1.708 1.00 0.00 H new ATOM 0 HG SER A 43 -3.489 16.420 3.385 1.00 0.00 H new ATOM 640 N CYS A 44 -3.427 11.828 1.402 1.00 0.00 N ATOM 641 CA CYS A 44 -4.395 11.191 0.528 1.00 0.00 C ATOM 642 C CYS A 44 -5.819 11.719 0.735 1.00 0.00 C ATOM 643 O CYS A 44 -6.156 12.293 1.772 1.00 0.00 O ATOM 644 CB CYS A 44 -4.344 9.701 0.733 1.00 0.00 C ATOM 645 SG CYS A 44 -5.261 8.724 -0.491 1.00 0.00 S ATOM 0 H CYS A 44 -2.940 11.170 2.010 1.00 0.00 H new ATOM 0 HA CYS A 44 -4.126 11.434 -0.500 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -3.301 9.384 0.721 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -4.735 9.473 1.724 1.00 0.00 H new ATOM 650 N SER A 45 -6.643 11.512 -0.290 1.00 0.00 N ATOM 651 CA SER A 45 -8.060 11.800 -0.367 1.00 0.00 C ATOM 652 C SER A 45 -8.861 10.504 -0.566 1.00 0.00 C ATOM 653 O SER A 45 -9.995 10.418 -0.096 1.00 0.00 O ATOM 654 CB SER A 45 -8.293 12.782 -1.529 1.00 0.00 C ATOM 655 OG SER A 45 -9.040 13.904 -1.097 1.00 0.00 O ATOM 0 H SER A 45 -6.299 11.103 -1.159 1.00 0.00 H new ATOM 0 HA SER A 45 -8.402 12.253 0.564 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.335 13.111 -1.931 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.822 12.277 -2.337 1.00 0.00 H new ATOM 0 HG SER A 45 -9.175 14.516 -1.850 1.00 0.00 H new ATOM 661 N SER A 46 -8.321 9.523 -1.306 1.00 0.00 N ATOM 662 CA SER A 46 -9.017 8.289 -1.657 1.00 0.00 C ATOM 663 C SER A 46 -8.050 7.154 -2.057 1.00 0.00 C ATOM 664 O SER A 46 -7.842 6.982 -3.257 1.00 0.00 O ATOM 665 CB SER A 46 -9.993 8.568 -2.814 1.00 0.00 C ATOM 666 OG SER A 46 -10.941 9.568 -2.485 1.00 0.00 O ATOM 0 H SER A 46 -7.373 9.572 -1.680 1.00 0.00 H new ATOM 0 HA SER A 46 -9.556 7.954 -0.771 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.431 8.879 -3.695 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.515 7.648 -3.077 1.00 0.00 H new ATOM 0 HG SER A 46 -11.539 9.715 -3.247 1.00 0.00 H new ATOM 672 N CYS A 47 -7.533 6.360 -1.104 1.00 0.00 N ATOM 673 CA CYS A 47 -6.783 5.108 -1.308 1.00 0.00 C ATOM 674 C CYS A 47 -6.451 4.446 0.030 1.00 0.00 C ATOM 675 O CYS A 47 -6.542 5.068 1.087 1.00 0.00 O ATOM 676 CB CYS A 47 -5.513 5.235 -2.128 1.00 0.00 C ATOM 677 SG CYS A 47 -3.970 5.668 -1.254 1.00 0.00 S ATOM 0 H CYS A 47 -7.633 6.587 -0.115 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.460 4.487 -1.895 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.351 4.288 -2.642 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.685 5.989 -2.896 1.00 0.00 H new ATOM 682 N ALA A 48 -6.051 3.170 -0.050 1.00 0.00 N ATOM 683 CA ALA A 48 -5.508 2.338 1.016 1.00 0.00 C ATOM 684 C ALA A 48 -5.561 0.872 0.598 1.00 0.00 C ATOM 685 O ALA A 48 -6.212 0.503 -0.386 1.00 0.00 O ATOM 686 CB ALA A 48 -6.230 2.541 2.352 1.00 0.00 C ATOM 0 H ALA A 48 -6.105 2.660 -0.932 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.473 2.641 1.173 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.783 1.896 3.109 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.137 3.582 2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.284 2.290 2.238 1.00 0.00 H new ATOM 692 N GLY A 49 -4.892 0.038 1.396 1.00 0.00 N ATOM 693 CA GLY A 49 -4.912 -1.404 1.329 1.00 0.00 C ATOM 694 C GLY A 49 -4.949 -2.007 2.727 1.00 0.00 C ATOM 695 O GLY A 49 -4.722 -1.295 3.703 1.00 0.00 O ATOM 0 H GLY A 49 -4.291 0.382 2.145 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.782 -1.735 0.762 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.030 -1.761 0.797 1.00 0.00 H new ATOM 699 N LYS A 50 -5.231 -3.310 2.824 1.00 0.00 N ATOM 700 CA LYS A 50 -5.313 -4.074 4.053 1.00 0.00 C ATOM 701 C LYS A 50 -4.064 -4.934 4.225 1.00 0.00 C ATOM 702 O LYS A 50 -3.853 -5.863 3.455 1.00 0.00 O ATOM 703 CB LYS A 50 -6.578 -4.936 3.995 1.00 0.00 C ATOM 704 CG LYS A 50 -7.217 -5.110 5.377 1.00 0.00 C ATOM 705 CD LYS A 50 -8.716 -5.345 5.187 1.00 0.00 C ATOM 706 CE LYS A 50 -9.476 -5.057 6.490 1.00 0.00 C ATOM 707 NZ LYS A 50 -10.924 -4.871 6.228 1.00 0.00 N ATOM 0 H LYS A 50 -5.416 -3.881 1.999 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.368 -3.407 4.913 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.298 -4.478 3.317 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.331 -5.915 3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.764 -5.952 5.901 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.046 -4.224 5.989 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.092 -4.703 4.390 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.892 -6.375 4.877 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.332 -5.880 7.189 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.070 -4.163 6.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.213 -3.920 6.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.109 -4.977 5.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.467 -5.585 6.755 1.00 0.00 H new ATOM 721 N VAL A 51 -3.232 -4.633 5.217 1.00 0.00 N ATOM 722 CA VAL A 51 -2.088 -5.441 5.602 1.00 0.00 C ATOM 723 C VAL A 51 -2.569 -6.839 5.986 1.00 0.00 C ATOM 724 O VAL A 51 -3.252 -7.006 6.994 1.00 0.00 O ATOM 725 CB VAL A 51 -1.379 -4.769 6.796 1.00 0.00 C ATOM 726 CG1 VAL A 51 -0.151 -5.551 7.274 1.00 0.00 C ATOM 727 CG2 VAL A 51 -0.939 -3.344 6.459 1.00 0.00 C ATOM 0 H VAL A 51 -3.341 -3.796 5.789 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.386 -5.525 4.772 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.118 -4.753 7.597 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.307 -5.031 8.115 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.455 -6.550 7.587 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.570 -5.629 6.460 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.443 -2.902 7.323 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.248 -3.366 5.617 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.812 -2.746 6.196 1.00 0.00 H new ATOM 737 N VAL A 52 -2.194 -7.843 5.194 1.00 0.00 N ATOM 738 CA VAL A 52 -2.424 -9.240 5.529 1.00 0.00 C ATOM 739 C VAL A 52 -1.277 -9.748 6.403 1.00 0.00 C ATOM 740 O VAL A 52 -1.519 -10.422 7.401 1.00 0.00 O ATOM 741 CB VAL A 52 -2.572 -10.058 4.240 1.00 0.00 C ATOM 742 CG1 VAL A 52 -2.781 -11.551 4.524 1.00 0.00 C ATOM 743 CG2 VAL A 52 -3.745 -9.532 3.413 1.00 0.00 C ATOM 0 H VAL A 52 -1.721 -7.706 4.301 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.348 -9.348 6.097 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.642 -9.948 3.682 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.881 -12.090 3.582 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.925 -11.940 5.076 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.686 -11.685 5.116 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.840 -10.121 2.501 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.664 -9.612 3.993 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.569 -8.488 3.154 1.00 0.00 H new ATOM 753 N SER A 53 -0.025 -9.459 6.027 1.00 0.00 N ATOM 754 CA SER A 53 1.143 -9.888 6.789 1.00 0.00 C ATOM 755 C SER A 53 2.369 -9.079 6.382 1.00 0.00 C ATOM 756 O SER A 53 2.304 -8.302 5.433 1.00 0.00 O ATOM 757 CB SER A 53 1.398 -11.387 6.583 1.00 0.00 C ATOM 758 OG SER A 53 2.353 -11.844 7.524 1.00 0.00 O ATOM 0 H SER A 53 0.201 -8.923 5.189 1.00 0.00 H new ATOM 0 HA SER A 53 0.948 -9.714 7.847 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.467 -11.943 6.696 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.756 -11.569 5.570 1.00 0.00 H new ATOM 0 HG SER A 53 2.512 -12.802 7.390 1.00 0.00 H new ATOM 764 N GLY A 54 3.484 -9.300 7.081 1.00 0.00 N ATOM 765 CA GLY A 54 4.694 -8.493 6.986 1.00 0.00 C ATOM 766 C GLY A 54 4.529 -7.172 7.735 1.00 0.00 C ATOM 767 O GLY A 54 3.512 -6.952 8.392 1.00 0.00 O ATOM 0 H GLY A 54 3.569 -10.068 7.747 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.538 -9.046 7.398 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.923 -8.296 5.939 1.00 0.00 H new ATOM 771 N SER A 55 5.518 -6.282 7.606 1.00 0.00 N ATOM 772 CA SER A 55 5.488 -4.950 8.182 1.00 0.00 C ATOM 773 C SER A 55 6.123 -4.014 7.166 1.00 0.00 C ATOM 774 O SER A 55 7.029 -4.426 6.436 1.00 0.00 O ATOM 775 CB SER A 55 6.293 -4.894 9.481 1.00 0.00 C ATOM 776 OG SER A 55 6.047 -6.026 10.294 1.00 0.00 O ATOM 0 H SER A 55 6.374 -6.479 7.087 1.00 0.00 H new ATOM 0 HA SER A 55 4.461 -4.667 8.412 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.356 -4.836 9.249 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.037 -3.988 10.030 1.00 0.00 H new ATOM 0 HG SER A 55 6.578 -5.960 11.115 1.00 0.00 H new ATOM 782 N ILE A 56 5.647 -2.773 7.133 1.00 0.00 N ATOM 783 CA ILE A 56 6.130 -1.705 6.288 1.00 0.00 C ATOM 784 C ILE A 56 6.001 -0.406 7.076 1.00 0.00 C ATOM 785 O ILE A 56 5.357 -0.408 8.128 1.00 0.00 O ATOM 786 CB ILE A 56 5.333 -1.690 4.981 1.00 0.00 C ATOM 787 CG1 ILE A 56 3.879 -1.246 5.158 1.00 0.00 C ATOM 788 CG2 ILE A 56 5.345 -3.065 4.298 1.00 0.00 C ATOM 789 CD1 ILE A 56 3.238 -1.039 3.779 1.00 0.00 C ATOM 0 H ILE A 56 4.874 -2.478 7.729 1.00 0.00 H new ATOM 0 HA ILE A 56 7.176 -1.841 6.012 1.00 0.00 H new ATOM 0 HB ILE A 56 5.837 -0.954 4.354 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.324 -1.997 5.720 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.837 -0.321 5.733 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.770 -3.017 3.373 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.372 -3.350 4.072 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.901 -3.806 4.963 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.202 -0.723 3.903 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.789 -0.273 3.233 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.267 -1.974 3.220 1.00 0.00 H new ATOM 801 N ASP A 57 6.575 0.689 6.574 1.00 0.00 N ATOM 802 CA ASP A 57 6.511 1.988 7.219 1.00 0.00 C ATOM 803 C ASP A 57 5.662 2.889 6.334 1.00 0.00 C ATOM 804 O ASP A 57 6.057 3.200 5.211 1.00 0.00 O ATOM 805 CB ASP A 57 7.928 2.541 7.417 1.00 0.00 C ATOM 806 CG ASP A 57 7.928 3.919 8.072 1.00 0.00 C ATOM 807 OD1 ASP A 57 6.824 4.477 8.268 1.00 0.00 O ATOM 808 OD2 ASP A 57 9.037 4.381 8.405 1.00 0.00 O ATOM 0 H ASP A 57 7.101 0.692 5.700 1.00 0.00 H new ATOM 0 HA ASP A 57 6.059 1.924 8.209 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.502 1.849 8.033 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.430 2.601 6.451 1.00 0.00 H new ATOM 813 N GLN A 58 4.475 3.258 6.821 1.00 0.00 N ATOM 814 CA GLN A 58 3.650 4.293 6.232 1.00 0.00 C ATOM 815 C GLN A 58 3.543 5.477 7.200 1.00 0.00 C ATOM 816 O GLN A 58 2.447 5.958 7.480 1.00 0.00 O ATOM 817 CB GLN A 58 2.288 3.676 5.914 1.00 0.00 C ATOM 818 CG GLN A 58 1.724 3.021 7.171 1.00 0.00 C ATOM 819 CD GLN A 58 0.216 2.892 7.157 1.00 0.00 C ATOM 820 OE1 GLN A 58 -0.499 3.490 6.353 1.00 0.00 O ATOM 821 NE2 GLN A 58 -0.256 2.046 8.053 1.00 0.00 N ATOM 0 H GLN A 58 4.061 2.833 7.651 1.00 0.00 H new ATOM 0 HA GLN A 58 4.085 4.677 5.309 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.604 4.444 5.552 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.388 2.937 5.119 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.165 2.031 7.285 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.023 3.605 8.041 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.381 1.577 8.696 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.258 1.861 8.102 1.00 0.00 H new ATOM 830 N SER A 59 4.653 5.954 7.758 1.00 0.00 N ATOM 831 CA SER A 59 4.645 7.149 8.593 1.00 0.00 C ATOM 832 C SER A 59 4.853 8.392 7.715 1.00 0.00 C ATOM 833 O SER A 59 5.678 9.249 8.026 1.00 0.00 O ATOM 834 CB SER A 59 5.691 6.994 9.709 1.00 0.00 C ATOM 835 OG SER A 59 5.352 7.790 10.832 1.00 0.00 O ATOM 0 H SER A 59 5.573 5.528 7.645 1.00 0.00 H new ATOM 0 HA SER A 59 3.681 7.280 9.084 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.759 5.948 10.007 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.673 7.284 9.336 1.00 0.00 H new ATOM 0 HG SER A 59 6.030 7.675 11.531 1.00 0.00 H new ATOM 841 N ASP A 60 4.088 8.486 6.618 1.00 0.00 N ATOM 842 CA ASP A 60 4.267 9.497 5.577 1.00 0.00 C ATOM 843 C ASP A 60 2.946 10.193 5.259 1.00 0.00 C ATOM 844 O ASP A 60 2.888 11.417 5.189 1.00 0.00 O ATOM 845 CB ASP A 60 4.812 8.849 4.299 1.00 0.00 C ATOM 846 CG ASP A 60 6.322 8.686 4.309 1.00 0.00 C ATOM 847 OD1 ASP A 60 6.992 9.683 3.966 1.00 0.00 O ATOM 848 OD2 ASP A 60 6.771 7.561 4.614 1.00 0.00 O ATOM 0 H ASP A 60 3.315 7.848 6.430 1.00 0.00 H new ATOM 0 HA ASP A 60 4.977 10.236 5.948 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.348 7.871 4.169 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.524 9.455 3.440 1.00 0.00 H new ATOM 853 N GLN A 61 1.887 9.416 5.012 1.00 0.00 N ATOM 854 CA GLN A 61 0.631 9.948 4.498 1.00 0.00 C ATOM 855 C GLN A 61 0.012 11.013 5.401 1.00 0.00 C ATOM 856 O GLN A 61 -0.633 11.933 4.909 1.00 0.00 O ATOM 857 CB GLN A 61 -0.383 8.840 4.146 1.00 0.00 C ATOM 858 CG GLN A 61 -0.962 8.030 5.311 1.00 0.00 C ATOM 859 CD GLN A 61 0.062 7.092 5.912 1.00 0.00 C ATOM 860 OE1 GLN A 61 1.089 6.825 5.300 1.00 0.00 O ATOM 861 NE2 GLN A 61 -0.183 6.631 7.131 1.00 0.00 N ATOM 0 H GLN A 61 1.880 8.407 5.163 1.00 0.00 H new ATOM 0 HA GLN A 61 0.892 10.450 3.567 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.212 9.299 3.607 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.099 8.146 3.458 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.326 8.711 6.081 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.820 7.455 4.962 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.052 6.878 7.605 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.497 6.029 7.595 1.00 0.00 H new ATOM 870 N SER A 62 0.162 10.864 6.722 1.00 0.00 N ATOM 871 CA SER A 62 -0.515 11.714 7.695 1.00 0.00 C ATOM 872 C SER A 62 -2.027 11.703 7.436 1.00 0.00 C ATOM 873 O SER A 62 -2.651 12.751 7.289 1.00 0.00 O ATOM 874 CB SER A 62 0.068 13.134 7.666 1.00 0.00 C ATOM 875 OG SER A 62 1.471 13.102 7.847 1.00 0.00 O ATOM 0 H SER A 62 0.757 10.150 7.142 1.00 0.00 H new ATOM 0 HA SER A 62 -0.349 11.321 8.698 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.170 13.611 6.715 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.391 13.737 8.449 1.00 0.00 H new ATOM 0 HG SER A 62 1.825 14.016 7.824 1.00 0.00 H new ATOM 881 N PHE A 63 -2.598 10.495 7.375 1.00 0.00 N ATOM 882 CA PHE A 63 -4.009 10.253 7.113 1.00 0.00 C ATOM 883 C PHE A 63 -4.481 9.057 7.934 1.00 0.00 C ATOM 884 O PHE A 63 -5.289 9.273 8.831 1.00 0.00 O ATOM 885 CB PHE A 63 -4.292 10.092 5.611 1.00 0.00 C ATOM 886 CG PHE A 63 -5.573 9.363 5.250 1.00 0.00 C ATOM 887 CD1 PHE A 63 -6.774 9.598 5.950 1.00 0.00 C ATOM 888 CD2 PHE A 63 -5.553 8.428 4.199 1.00 0.00 C ATOM 889 CE1 PHE A 63 -7.935 8.885 5.611 1.00 0.00 C ATOM 890 CE2 PHE A 63 -6.723 7.749 3.835 1.00 0.00 C ATOM 891 CZ PHE A 63 -7.921 7.995 4.526 1.00 0.00 C ATOM 0 H PHE A 63 -2.067 9.635 7.512 1.00 0.00 H new ATOM 0 HA PHE A 63 -4.583 11.125 7.426 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.322 11.083 5.159 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.455 9.560 5.159 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.801 10.326 6.747 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.632 8.233 3.670 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.839 9.022 6.185 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.704 7.037 3.023 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.831 7.499 4.222 1.00 0.00 H new ATOM 901 N LEU A 64 -4.023 7.823 7.647 1.00 0.00 N ATOM 902 CA LEU A 64 -4.592 6.679 8.349 1.00 0.00 C ATOM 903 C LEU A 64 -4.475 6.872 9.853 1.00 0.00 C ATOM 904 O LEU A 64 -3.427 7.298 10.338 1.00 0.00 O ATOM 905 CB LEU A 64 -3.976 5.318 7.998 1.00 0.00 C ATOM 906 CG LEU A 64 -4.542 4.670 6.733 1.00 0.00 C ATOM 907 CD1 LEU A 64 -3.841 5.220 5.500 1.00 0.00 C ATOM 908 CD2 LEU A 64 -4.294 3.165 6.814 1.00 0.00 C ATOM 0 H LEU A 64 -3.295 7.607 6.966 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.630 6.649 8.016 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.900 5.441 7.877 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.126 4.639 8.837 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.608 4.885 6.659 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.254 4.750 4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.992 6.298 5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.774 5.006 5.562 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.690 2.682 5.921 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.223 2.976 6.884 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.792 2.761 7.696 1.00 0.00 H new ATOM 920 N ASP A 65 -5.543 6.533 10.569 1.00 0.00 N ATOM 921 CA ASP A 65 -5.561 6.662 12.012 1.00 0.00 C ATOM 922 C ASP A 65 -5.031 5.382 12.651 1.00 0.00 C ATOM 923 O ASP A 65 -4.926 4.340 11.997 1.00 0.00 O ATOM 924 CB ASP A 65 -6.976 6.971 12.508 1.00 0.00 C ATOM 925 CG ASP A 65 -7.559 8.232 11.885 1.00 0.00 C ATOM 926 OD1 ASP A 65 -7.324 9.314 12.465 1.00 0.00 O ATOM 927 OD2 ASP A 65 -8.240 8.082 10.848 1.00 0.00 O ATOM 0 H ASP A 65 -6.406 6.167 10.167 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.916 7.492 12.301 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.627 6.126 12.283 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.960 7.081 13.592 1.00 0.00 H new ATOM 932 N ASP A 66 -4.750 5.457 13.953 1.00 0.00 N ATOM 933 CA ASP A 66 -4.270 4.350 14.767 1.00 0.00 C ATOM 934 C ASP A 66 -5.207 3.169 14.579 1.00 0.00 C ATOM 935 O ASP A 66 -4.768 2.036 14.403 1.00 0.00 O ATOM 936 CB ASP A 66 -4.243 4.761 16.246 1.00 0.00 C ATOM 937 CG ASP A 66 -3.324 5.945 16.500 1.00 0.00 C ATOM 938 OD1 ASP A 66 -3.701 7.042 16.034 1.00 0.00 O ATOM 939 OD2 ASP A 66 -2.276 5.733 17.146 1.00 0.00 O ATOM 0 H ASP A 66 -4.856 6.322 14.484 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.260 4.077 14.462 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.253 5.012 16.569 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.916 3.914 16.850 1.00 0.00 H new ATOM 944 N GLU A 67 -6.507 3.469 14.589 1.00 0.00 N ATOM 945 CA GLU A 67 -7.568 2.509 14.399 1.00 0.00 C ATOM 946 C GLU A 67 -7.315 1.711 13.130 1.00 0.00 C ATOM 947 O GLU A 67 -7.170 0.498 13.178 1.00 0.00 O ATOM 948 CB GLU A 67 -8.931 3.216 14.329 1.00 0.00 C ATOM 949 CG GLU A 67 -8.995 4.546 15.078 1.00 0.00 C ATOM 950 CD GLU A 67 -10.442 4.935 15.358 1.00 0.00 C ATOM 951 OE1 GLU A 67 -11.180 5.107 14.365 1.00 0.00 O ATOM 952 OE2 GLU A 67 -10.791 5.012 16.556 1.00 0.00 O ATOM 0 H GLU A 67 -6.849 4.419 14.735 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.585 1.827 15.249 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.182 3.390 13.283 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.693 2.549 14.733 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.446 4.468 16.016 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.511 5.325 14.489 1.00 0.00 H new ATOM 959 N GLN A 68 -7.263 2.394 11.987 1.00 0.00 N ATOM 960 CA GLN A 68 -7.082 1.766 10.696 1.00 0.00 C ATOM 961 C GLN A 68 -5.784 0.956 10.656 1.00 0.00 C ATOM 962 O GLN A 68 -5.779 -0.200 10.235 1.00 0.00 O ATOM 963 CB GLN A 68 -7.120 2.842 9.620 1.00 0.00 C ATOM 964 CG GLN A 68 -8.500 3.501 9.610 1.00 0.00 C ATOM 965 CD GLN A 68 -8.500 4.771 8.795 1.00 0.00 C ATOM 966 OE1 GLN A 68 -7.465 5.389 8.591 1.00 0.00 O ATOM 967 NE2 GLN A 68 -9.664 5.156 8.312 1.00 0.00 N ATOM 0 H GLN A 68 -7.347 3.409 11.940 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.890 1.058 10.512 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.349 3.589 9.810 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.907 2.404 8.645 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.234 2.806 9.202 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.806 3.723 10.632 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.503 4.610 8.507 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.726 6.000 7.743 1.00 0.00 H new ATOM 976 N MET A 69 -4.675 1.550 11.098 1.00 0.00 N ATOM 977 CA MET A 69 -3.413 0.834 11.175 1.00 0.00 C ATOM 978 C MET A 69 -3.579 -0.484 11.944 1.00 0.00 C ATOM 979 O MET A 69 -3.380 -1.558 11.376 1.00 0.00 O ATOM 980 CB MET A 69 -2.361 1.745 11.812 1.00 0.00 C ATOM 981 CG MET A 69 -2.076 3.011 10.991 1.00 0.00 C ATOM 982 SD MET A 69 -0.984 4.182 11.826 1.00 0.00 S ATOM 983 CE MET A 69 -0.774 5.348 10.472 1.00 0.00 C ATOM 0 H MET A 69 -4.630 2.521 11.406 1.00 0.00 H new ATOM 0 HA MET A 69 -3.077 0.568 10.173 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.696 2.034 12.808 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.434 1.185 11.938 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.628 2.724 10.040 1.00 0.00 H new ATOM 0 HG3 MET A 69 -3.020 3.506 10.763 1.00 0.00 H new ATOM 0 HE1 MET A 69 -0.489 6.321 10.871 1.00 0.00 H new ATOM 0 HE2 MET A 69 0.006 4.989 9.800 1.00 0.00 H new ATOM 0 HE3 MET A 69 -1.711 5.441 9.923 1.00 0.00 H new ATOM 993 N ASP A 70 -3.989 -0.399 13.213 1.00 0.00 N ATOM 994 CA ASP A 70 -4.185 -1.542 14.105 1.00 0.00 C ATOM 995 C ASP A 70 -5.121 -2.569 13.467 1.00 0.00 C ATOM 996 O ASP A 70 -4.858 -3.770 13.448 1.00 0.00 O ATOM 997 CB ASP A 70 -4.786 -1.048 15.426 1.00 0.00 C ATOM 998 CG ASP A 70 -4.938 -2.197 16.410 1.00 0.00 C ATOM 999 OD1 ASP A 70 -3.915 -2.538 17.044 1.00 0.00 O ATOM 1000 OD2 ASP A 70 -6.070 -2.717 16.507 1.00 0.00 O ATOM 0 H ASP A 70 -4.199 0.494 13.659 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.222 -2.020 14.288 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.147 -0.277 15.856 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.758 -0.590 15.241 1.00 0.00 H new ATOM 1005 N ALA A 71 -6.208 -2.050 12.901 1.00 0.00 N ATOM 1006 CA ALA A 71 -7.273 -2.796 12.254 1.00 0.00 C ATOM 1007 C ALA A 71 -6.768 -3.591 11.052 1.00 0.00 C ATOM 1008 O ALA A 71 -7.430 -4.539 10.630 1.00 0.00 O ATOM 1009 CB ALA A 71 -8.362 -1.817 11.821 1.00 0.00 C ATOM 0 H ALA A 71 -6.374 -1.044 12.883 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.673 -3.518 12.966 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.169 -2.363 11.333 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.753 -1.297 12.696 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.943 -1.091 11.125 1.00 0.00 H new ATOM 1015 N GLY A 72 -5.620 -3.208 10.487 1.00 0.00 N ATOM 1016 CA GLY A 72 -4.949 -3.968 9.458 1.00 0.00 C ATOM 1017 C GLY A 72 -4.859 -3.187 8.163 1.00 0.00 C ATOM 1018 O GLY A 72 -4.893 -3.815 7.115 1.00 0.00 O ATOM 0 H GLY A 72 -5.134 -2.349 10.743 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.947 -4.233 9.795 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.485 -4.901 9.285 1.00 0.00 H new ATOM 1022 N TYR A 73 -4.769 -1.852 8.192 1.00 0.00 N ATOM 1023 CA TYR A 73 -4.775 -1.041 6.980 1.00 0.00 C ATOM 1024 C TYR A 73 -3.497 -0.233 6.775 1.00 0.00 C ATOM 1025 O TYR A 73 -2.750 0.036 7.717 1.00 0.00 O ATOM 1026 CB TYR A 73 -5.992 -0.137 6.983 1.00 0.00 C ATOM 1027 CG TYR A 73 -7.280 -0.925 6.956 1.00 0.00 C ATOM 1028 CD1 TYR A 73 -7.703 -1.491 5.742 1.00 0.00 C ATOM 1029 CD2 TYR A 73 -8.171 -0.852 8.038 1.00 0.00 C ATOM 1030 CE1 TYR A 73 -9.038 -1.884 5.585 1.00 0.00 C ATOM 1031 CE2 TYR A 73 -9.514 -1.216 7.870 1.00 0.00 C ATOM 1032 CZ TYR A 73 -9.963 -1.675 6.625 1.00 0.00 C ATOM 1033 OH TYR A 73 -11.242 -2.130 6.507 1.00 0.00 O ATOM 0 H TYR A 73 -4.691 -1.311 9.053 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.822 -1.729 6.136 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.972 0.495 7.871 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.954 0.526 6.118 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.001 -1.623 4.932 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.821 -0.515 9.002 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.358 -2.348 4.664 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.202 -1.143 8.699 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.865 -1.376 6.568 1.00 0.00 H new ATOM 1043 N VAL A 74 -3.246 0.159 5.522 1.00 0.00 N ATOM 1044 CA VAL A 74 -2.034 0.842 5.126 1.00 0.00 C ATOM 1045 C VAL A 74 -2.274 1.684 3.878 1.00 0.00 C ATOM 1046 O VAL A 74 -3.053 1.281 3.018 1.00 0.00 O ATOM 1047 CB VAL A 74 -0.919 -0.192 4.938 1.00 0.00 C ATOM 1048 CG1 VAL A 74 -1.206 -1.214 3.831 1.00 0.00 C ATOM 1049 CG2 VAL A 74 0.420 0.482 4.662 1.00 0.00 C ATOM 0 H VAL A 74 -3.896 0.003 4.751 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.721 1.537 5.906 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.875 -0.737 5.881 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.373 -1.913 3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.119 -1.761 4.068 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.331 -0.695 2.880 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.190 -0.278 4.533 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.346 1.081 3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.683 1.126 5.501 1.00 0.00 H new ATOM 1059 N LEU A 75 -1.625 2.848 3.771 1.00 0.00 N ATOM 1060 CA LEU A 75 -1.714 3.673 2.571 1.00 0.00 C ATOM 1061 C LEU A 75 -0.896 3.030 1.443 1.00 0.00 C ATOM 1062 O LEU A 75 0.102 2.365 1.712 1.00 0.00 O ATOM 1063 CB LEU A 75 -1.265 5.110 2.895 1.00 0.00 C ATOM 1064 CG LEU A 75 -1.977 6.248 2.133 1.00 0.00 C ATOM 1065 CD1 LEU A 75 -1.316 6.557 0.793 1.00 0.00 C ATOM 1066 CD2 LEU A 75 -3.494 6.099 1.983 1.00 0.00 C ATOM 0 H LEU A 75 -1.032 3.237 4.504 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.746 3.733 2.224 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.404 5.277 3.963 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.196 5.185 2.697 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.846 7.108 2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.856 7.364 0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.282 6.860 0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.337 5.668 0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.891 6.952 1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.717 5.181 1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.955 6.057 2.970 1.00 0.00 H new ATOM 1078 N THR A 76 -1.323 3.192 0.187 1.00 0.00 N ATOM 1079 CA THR A 76 -0.762 2.488 -0.964 1.00 0.00 C ATOM 1080 C THR A 76 -0.196 3.452 -2.019 1.00 0.00 C ATOM 1081 O THR A 76 -0.294 3.174 -3.211 1.00 0.00 O ATOM 1082 CB THR A 76 -1.850 1.552 -1.518 1.00 0.00 C ATOM 1083 OG1 THR A 76 -3.129 2.162 -1.442 1.00 0.00 O ATOM 1084 CG2 THR A 76 -1.891 0.266 -0.687 1.00 0.00 C ATOM 0 H THR A 76 -2.082 3.828 -0.060 1.00 0.00 H new ATOM 0 HA THR A 76 0.098 1.893 -0.656 1.00 0.00 H new ATOM 0 HB THR A 76 -1.610 1.336 -2.559 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.805 1.550 -1.801 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.662 -0.397 -1.080 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.923 -0.232 -0.740 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.117 0.511 0.351 1.00 0.00 H new ATOM 1092 N CYS A 77 0.442 4.536 -1.562 1.00 0.00 N ATOM 1093 CA CYS A 77 1.080 5.568 -2.390 1.00 0.00 C ATOM 1094 C CYS A 77 2.318 6.105 -1.684 1.00 0.00 C ATOM 1095 O CYS A 77 3.356 6.313 -2.303 1.00 0.00 O ATOM 1096 CB CYS A 77 0.135 6.712 -2.636 1.00 0.00 C ATOM 1097 SG CYS A 77 -1.208 6.375 -3.792 1.00 0.00 S ATOM 0 H CYS A 77 0.532 4.727 -0.564 1.00 0.00 H new ATOM 0 HA CYS A 77 1.355 5.115 -3.342 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -0.297 7.015 -1.682 1.00 0.00 H new ATOM 0 HB3 CYS A 77 0.709 7.560 -3.010 1.00 0.00 H new ATOM 1102 N HIS A 78 2.196 6.345 -0.377 1.00 0.00 N ATOM 1103 CA HIS A 78 3.270 6.737 0.513 1.00 0.00 C ATOM 1104 C HIS A 78 3.415 5.663 1.589 1.00 0.00 C ATOM 1105 O HIS A 78 2.825 5.761 2.663 1.00 0.00 O ATOM 1106 CB HIS A 78 2.979 8.117 1.101 1.00 0.00 C ATOM 1107 CG HIS A 78 3.359 9.244 0.179 1.00 0.00 C ATOM 1108 ND1 HIS A 78 4.406 10.118 0.369 1.00 0.00 N ATOM 1109 CD2 HIS A 78 2.701 9.620 -0.962 1.00 0.00 C ATOM 1110 CE1 HIS A 78 4.362 11.018 -0.627 1.00 0.00 C ATOM 1111 NE2 HIS A 78 3.327 10.773 -1.452 1.00 0.00 N ATOM 0 H HIS A 78 1.300 6.265 0.104 1.00 0.00 H new ATOM 0 HA HIS A 78 4.215 6.817 -0.024 1.00 0.00 H new ATOM 0 HB2 HIS A 78 1.917 8.189 1.335 1.00 0.00 H new ATOM 0 HB3 HIS A 78 3.520 8.226 2.041 1.00 0.00 H new ATOM 0 HD2 HIS A 78 1.853 9.118 -1.404 1.00 0.00 H new ATOM 0 HE1 HIS A 78 5.063 11.830 -0.750 1.00 0.00 H new ATOM 0 HE2 HIS A 78 3.054 11.318 -2.270 1.00 0.00 H new ATOM 1119 N ALA A 79 4.172 4.616 1.267 1.00 0.00 N ATOM 1120 CA ALA A 79 4.452 3.488 2.137 1.00 0.00 C ATOM 1121 C ALA A 79 5.724 2.825 1.629 1.00 0.00 C ATOM 1122 O ALA A 79 5.863 2.659 0.419 1.00 0.00 O ATOM 1123 CB ALA A 79 3.280 2.511 2.084 1.00 0.00 C ATOM 0 H ALA A 79 4.622 4.532 0.356 1.00 0.00 H new ATOM 0 HA ALA A 79 4.585 3.807 3.171 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.485 1.662 2.736 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.372 3.014 2.417 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.145 2.159 1.061 1.00 0.00 H new ATOM 1129 N TYR A 80 6.631 2.471 2.538 1.00 0.00 N ATOM 1130 CA TYR A 80 7.945 1.914 2.256 1.00 0.00 C ATOM 1131 C TYR A 80 8.030 0.498 2.833 1.00 0.00 C ATOM 1132 O TYR A 80 7.872 0.328 4.044 1.00 0.00 O ATOM 1133 CB TYR A 80 8.985 2.808 2.930 1.00 0.00 C ATOM 1134 CG TYR A 80 9.173 4.159 2.266 1.00 0.00 C ATOM 1135 CD1 TYR A 80 9.642 4.228 0.941 1.00 0.00 C ATOM 1136 CD2 TYR A 80 8.943 5.347 2.986 1.00 0.00 C ATOM 1137 CE1 TYR A 80 9.941 5.470 0.361 1.00 0.00 C ATOM 1138 CE2 TYR A 80 9.270 6.588 2.414 1.00 0.00 C ATOM 1139 CZ TYR A 80 9.803 6.646 1.115 1.00 0.00 C ATOM 1140 OH TYR A 80 10.171 7.843 0.575 1.00 0.00 O ATOM 0 H TYR A 80 6.457 2.571 3.538 1.00 0.00 H new ATOM 0 HA TYR A 80 8.123 1.868 1.182 1.00 0.00 H new ATOM 0 HB2 TYR A 80 8.694 2.964 3.969 1.00 0.00 H new ATOM 0 HB3 TYR A 80 9.942 2.286 2.942 1.00 0.00 H new ATOM 0 HD1 TYR A 80 9.772 3.322 0.368 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.516 5.304 3.977 1.00 0.00 H new ATOM 0 HE1 TYR A 80 10.277 5.521 -0.664 1.00 0.00 H new ATOM 0 HE2 TYR A 80 9.112 7.498 2.973 1.00 0.00 H new ATOM 0 HH TYR A 80 9.398 8.254 0.134 1.00 0.00 H new ATOM 1150 N PRO A 81 8.241 -0.526 1.992 1.00 0.00 N ATOM 1151 CA PRO A 81 8.232 -1.910 2.428 1.00 0.00 C ATOM 1152 C PRO A 81 9.497 -2.264 3.207 1.00 0.00 C ATOM 1153 O PRO A 81 10.586 -2.222 2.649 1.00 0.00 O ATOM 1154 CB PRO A 81 8.072 -2.759 1.168 1.00 0.00 C ATOM 1155 CG PRO A 81 8.355 -1.824 -0.006 1.00 0.00 C ATOM 1156 CD PRO A 81 8.332 -0.410 0.548 1.00 0.00 C ATOM 0 HA PRO A 81 7.411 -2.097 3.120 1.00 0.00 H new ATOM 0 HB2 PRO A 81 8.765 -3.600 1.173 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.067 -3.175 1.102 1.00 0.00 H new ATOM 0 HG2 PRO A 81 9.323 -2.048 -0.455 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.605 -1.946 -0.788 1.00 0.00 H new ATOM 0 HD2 PRO A 81 9.232 0.133 0.260 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.483 0.147 0.151 1.00 0.00 H new ATOM 1164 N THR A 82 9.375 -2.643 4.484 1.00 0.00 N ATOM 1165 CA THR A 82 10.541 -2.900 5.323 1.00 0.00 C ATOM 1166 C THR A 82 10.977 -4.367 5.232 1.00 0.00 C ATOM 1167 O THR A 82 12.101 -4.711 5.610 1.00 0.00 O ATOM 1168 CB THR A 82 10.265 -2.437 6.763 1.00 0.00 C ATOM 1169 OG1 THR A 82 9.063 -2.964 7.292 1.00 0.00 O ATOM 1170 CG2 THR A 82 10.160 -0.911 6.828 1.00 0.00 C ATOM 0 H THR A 82 8.480 -2.777 4.955 1.00 0.00 H new ATOM 0 HA THR A 82 11.385 -2.317 4.955 1.00 0.00 H new ATOM 0 HB THR A 82 11.104 -2.804 7.354 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.713 -3.651 6.687 1.00 0.00 H new ATOM 0 HG21 THR A 82 9.964 -0.603 7.855 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.096 -0.467 6.488 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.345 -0.575 6.187 1.00 0.00 H new ATOM 1178 N SER A 83 10.102 -5.235 4.717 1.00 0.00 N ATOM 1179 CA SER A 83 10.350 -6.643 4.461 1.00 0.00 C ATOM 1180 C SER A 83 9.366 -7.083 3.384 1.00 0.00 C ATOM 1181 O SER A 83 8.583 -6.262 2.897 1.00 0.00 O ATOM 1182 CB SER A 83 10.174 -7.457 5.752 1.00 0.00 C ATOM 1183 OG SER A 83 10.998 -6.947 6.784 1.00 0.00 O ATOM 0 H SER A 83 9.157 -4.954 4.457 1.00 0.00 H new ATOM 0 HA SER A 83 11.372 -6.809 4.121 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.131 -7.428 6.066 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.422 -8.502 5.565 1.00 0.00 H new ATOM 0 HG SER A 83 10.870 -7.478 7.598 1.00 0.00 H new ATOM 1189 N ASP A 84 9.385 -8.368 3.029 1.00 0.00 N ATOM 1190 CA ASP A 84 8.289 -9.001 2.323 1.00 0.00 C ATOM 1191 C ASP A 84 7.011 -8.749 3.126 1.00 0.00 C ATOM 1192 O ASP A 84 6.995 -8.837 4.353 1.00 0.00 O ATOM 1193 CB ASP A 84 8.580 -10.496 2.132 1.00 0.00 C ATOM 1194 CG ASP A 84 8.921 -11.198 3.441 1.00 0.00 C ATOM 1195 OD1 ASP A 84 9.898 -10.736 4.078 1.00 0.00 O ATOM 1196 OD2 ASP A 84 8.222 -12.181 3.763 1.00 0.00 O ATOM 0 H ASP A 84 10.166 -8.994 3.227 1.00 0.00 H new ATOM 0 HA ASP A 84 8.164 -8.582 1.325 1.00 0.00 H new ATOM 0 HB2 ASP A 84 7.712 -10.977 1.682 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.408 -10.615 1.434 1.00 0.00 H new ATOM 1201 N VAL A 85 5.962 -8.346 2.415 1.00 0.00 N ATOM 1202 CA VAL A 85 4.678 -7.966 2.973 1.00 0.00 C ATOM 1203 C VAL A 85 3.595 -8.505 2.047 1.00 0.00 C ATOM 1204 O VAL A 85 3.794 -8.639 0.836 1.00 0.00 O ATOM 1205 CB VAL A 85 4.618 -6.434 3.195 1.00 0.00 C ATOM 1206 CG1 VAL A 85 5.073 -5.689 1.939 1.00 0.00 C ATOM 1207 CG2 VAL A 85 3.245 -5.905 3.647 1.00 0.00 C ATOM 0 H VAL A 85 5.989 -8.274 1.398 1.00 0.00 H new ATOM 0 HA VAL A 85 4.520 -8.400 3.960 1.00 0.00 H new ATOM 0 HB VAL A 85 5.302 -6.239 4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.024 -4.614 2.115 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.099 -5.971 1.700 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.422 -5.950 1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.297 -4.824 3.778 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.496 -6.144 2.892 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.968 -6.372 4.592 1.00 0.00 H new ATOM 1217 N VAL A 86 2.455 -8.836 2.644 1.00 0.00 N ATOM 1218 CA VAL A 86 1.253 -9.231 1.949 1.00 0.00 C ATOM 1219 C VAL A 86 0.214 -8.190 2.334 1.00 0.00 C ATOM 1220 O VAL A 86 -0.051 -8.006 3.522 1.00 0.00 O ATOM 1221 CB VAL A 86 0.841 -10.645 2.384 1.00 0.00 C ATOM 1222 CG1 VAL A 86 -0.352 -11.129 1.554 1.00 0.00 C ATOM 1223 CG2 VAL A 86 1.995 -11.640 2.196 1.00 0.00 C ATOM 0 H VAL A 86 2.347 -8.834 3.658 1.00 0.00 H new ATOM 0 HA VAL A 86 1.379 -9.271 0.867 1.00 0.00 H new ATOM 0 HB VAL A 86 0.572 -10.597 3.439 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.634 -12.133 1.873 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.194 -10.452 1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.078 -11.147 0.499 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.675 -12.633 2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.283 -11.669 1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.848 -11.326 2.797 1.00 0.00 H new ATOM 1233 N ILE A 87 -0.346 -7.491 1.352 1.00 0.00 N ATOM 1234 CA ILE A 87 -1.374 -6.493 1.547 1.00 0.00 C ATOM 1235 C ILE A 87 -2.431 -6.677 0.460 1.00 0.00 C ATOM 1236 O ILE A 87 -2.114 -7.171 -0.620 1.00 0.00 O ATOM 1237 CB ILE A 87 -0.717 -5.097 1.586 1.00 0.00 C ATOM 1238 CG1 ILE A 87 -1.696 -3.927 1.442 1.00 0.00 C ATOM 1239 CG2 ILE A 87 0.466 -4.923 0.631 1.00 0.00 C ATOM 1240 CD1 ILE A 87 -1.871 -3.582 -0.029 1.00 0.00 C ATOM 0 H ILE A 87 -0.085 -7.612 0.373 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.890 -6.602 2.501 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.319 -5.060 2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.659 -4.190 1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.324 -3.060 1.987 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.865 -3.913 0.726 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.244 -5.645 0.880 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.133 -5.087 -0.394 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.568 -2.750 -0.127 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.907 -3.301 -0.454 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.263 -4.448 -0.562 1.00 0.00 H new ATOM 1252 N GLU A 88 -3.674 -6.274 0.723 1.00 0.00 N ATOM 1253 CA GLU A 88 -4.743 -6.209 -0.266 1.00 0.00 C ATOM 1254 C GLU A 88 -4.958 -4.759 -0.680 1.00 0.00 C ATOM 1255 O GLU A 88 -5.191 -3.935 0.193 1.00 0.00 O ATOM 1256 CB GLU A 88 -6.055 -6.729 0.324 1.00 0.00 C ATOM 1257 CG GLU A 88 -5.967 -7.972 1.208 1.00 0.00 C ATOM 1258 CD GLU A 88 -7.319 -8.325 1.820 1.00 0.00 C ATOM 1259 OE1 GLU A 88 -8.142 -7.391 1.979 1.00 0.00 O ATOM 1260 OE2 GLU A 88 -7.523 -9.522 2.101 1.00 0.00 O ATOM 0 H GLU A 88 -3.970 -5.977 1.653 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.456 -6.821 -1.121 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.506 -5.927 0.909 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.736 -6.945 -0.499 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.604 -8.813 0.618 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.241 -7.803 2.003 1.00 0.00 H new ATOM 1267 N THR A 89 -4.921 -4.427 -1.968 1.00 0.00 N ATOM 1268 CA THR A 89 -5.147 -3.042 -2.406 1.00 0.00 C ATOM 1269 C THR A 89 -6.661 -2.785 -2.517 1.00 0.00 C ATOM 1270 O THR A 89 -7.448 -3.706 -2.311 1.00 0.00 O ATOM 1271 CB THR A 89 -4.372 -2.760 -3.709 1.00 0.00 C ATOM 1272 OG1 THR A 89 -4.943 -3.477 -4.774 1.00 0.00 O ATOM 1273 CG2 THR A 89 -2.900 -3.141 -3.571 1.00 0.00 C ATOM 0 H THR A 89 -4.739 -5.087 -2.724 1.00 0.00 H new ATOM 0 HA THR A 89 -4.758 -2.338 -1.670 1.00 0.00 H new ATOM 0 HB THR A 89 -4.435 -1.691 -3.910 1.00 0.00 H new ATOM 0 HG1 THR A 89 -5.863 -3.172 -4.917 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.380 -2.930 -4.506 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.448 -2.561 -2.766 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.819 -4.204 -3.342 1.00 0.00 H new ATOM 1281 N HIS A 90 -7.071 -1.554 -2.851 1.00 0.00 N ATOM 1282 CA HIS A 90 -8.467 -1.180 -3.109 1.00 0.00 C ATOM 1283 C HIS A 90 -9.298 -1.188 -1.823 1.00 0.00 C ATOM 1284 O HIS A 90 -10.312 -1.879 -1.748 1.00 0.00 O ATOM 1285 CB HIS A 90 -9.114 -2.044 -4.220 1.00 0.00 C ATOM 1286 CG HIS A 90 -8.419 -2.037 -5.559 1.00 0.00 C ATOM 1287 ND1 HIS A 90 -7.076 -2.214 -5.774 1.00 0.00 N ATOM 1288 CD2 HIS A 90 -9.012 -1.941 -6.791 1.00 0.00 C ATOM 1289 CE1 HIS A 90 -6.857 -2.240 -7.094 1.00 0.00 C ATOM 1290 NE2 HIS A 90 -8.010 -2.073 -7.760 1.00 0.00 N ATOM 0 H HIS A 90 -6.424 -0.772 -2.952 1.00 0.00 H new ATOM 0 HA HIS A 90 -8.455 -0.156 -3.483 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.166 -3.074 -3.866 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -10.140 -1.704 -4.365 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -10.065 -1.790 -6.981 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -5.891 -2.376 -7.557 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -8.132 -2.047 -8.772 1.00 0.00 H new ATOM 1298 N LYS A 91 -8.870 -0.423 -0.811 1.00 0.00 N ATOM 1299 CA LYS A 91 -9.501 -0.398 0.508 1.00 0.00 C ATOM 1300 C LYS A 91 -9.819 1.019 0.979 1.00 0.00 C ATOM 1301 O LYS A 91 -9.826 1.267 2.182 1.00 0.00 O ATOM 1302 CB LYS A 91 -8.606 -1.120 1.519 1.00 0.00 C ATOM 1303 CG LYS A 91 -8.231 -2.509 1.008 1.00 0.00 C ATOM 1304 CD LYS A 91 -9.425 -3.446 0.957 1.00 0.00 C ATOM 1305 CE LYS A 91 -9.081 -4.659 0.093 1.00 0.00 C ATOM 1306 NZ LYS A 91 -9.693 -5.909 0.582 1.00 0.00 N ATOM 0 H LYS A 91 -8.067 0.201 -0.889 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.456 -0.918 0.429 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.703 -0.536 1.696 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.123 -1.205 2.475 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.797 -2.422 0.012 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.464 -2.936 1.654 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.693 -3.767 1.964 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.291 -2.927 0.547 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.412 -4.475 -0.929 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.998 -4.780 0.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.828 -6.564 -0.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.069 -6.348 1.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.614 -5.698 1.016 1.00 0.00 H new ATOM 1320 N GLU A 92 -10.122 1.938 0.059 1.00 0.00 N ATOM 1321 CA GLU A 92 -10.552 3.271 0.455 1.00 0.00 C ATOM 1322 C GLU A 92 -11.825 3.156 1.299 1.00 0.00 C ATOM 1323 O GLU A 92 -11.802 3.376 2.511 1.00 0.00 O ATOM 1324 CB GLU A 92 -10.721 4.165 -0.783 1.00 0.00 C ATOM 1325 CG GLU A 92 -11.333 5.530 -0.434 1.00 0.00 C ATOM 1326 CD GLU A 92 -10.661 6.203 0.761 1.00 0.00 C ATOM 1327 OE1 GLU A 92 -9.412 6.180 0.795 1.00 0.00 O ATOM 1328 OE2 GLU A 92 -11.409 6.729 1.609 1.00 0.00 O ATOM 0 H GLU A 92 -10.077 1.783 -0.948 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.794 3.751 1.074 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.751 4.314 -1.256 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.356 3.659 -1.510 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.259 6.186 -1.301 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.394 5.401 -0.221 1.00 0.00 H new ATOM 1335 N GLU A 93 -12.924 2.706 0.685 1.00 0.00 N ATOM 1336 CA GLU A 93 -14.221 2.577 1.346 1.00 0.00 C ATOM 1337 C GLU A 93 -14.300 1.289 2.193 1.00 0.00 C ATOM 1338 O GLU A 93 -15.260 0.526 2.118 1.00 0.00 O ATOM 1339 CB GLU A 93 -15.334 2.649 0.287 1.00 0.00 C ATOM 1340 CG GLU A 93 -15.250 3.911 -0.588 1.00 0.00 C ATOM 1341 CD GLU A 93 -16.365 3.938 -1.627 1.00 0.00 C ATOM 1342 OE1 GLU A 93 -17.536 4.040 -1.201 1.00 0.00 O ATOM 1343 OE2 GLU A 93 -16.027 3.837 -2.826 1.00 0.00 O ATOM 0 H GLU A 93 -12.935 2.419 -0.294 1.00 0.00 H new ATOM 0 HA GLU A 93 -14.354 3.403 2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -15.279 1.767 -0.351 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -16.304 2.622 0.784 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -15.315 4.798 0.042 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.282 3.946 -1.088 1.00 0.00 H new ATOM 1350 N GLU A 94 -13.252 1.076 2.985 1.00 0.00 N ATOM 1351 CA GLU A 94 -12.981 0.038 3.959 1.00 0.00 C ATOM 1352 C GLU A 94 -12.294 0.665 5.176 1.00 0.00 C ATOM 1353 O GLU A 94 -12.567 0.252 6.304 1.00 0.00 O ATOM 1354 CB GLU A 94 -12.042 -0.999 3.328 1.00 0.00 C ATOM 1355 CG GLU A 94 -12.787 -2.162 2.678 1.00 0.00 C ATOM 1356 CD GLU A 94 -12.766 -3.416 3.554 1.00 0.00 C ATOM 1357 OE1 GLU A 94 -11.650 -3.821 3.965 1.00 0.00 O ATOM 1358 OE2 GLU A 94 -13.850 -3.974 3.809 1.00 0.00 O ATOM 0 H GLU A 94 -12.466 1.725 2.946 1.00 0.00 H new ATOM 0 HA GLU A 94 -13.911 -0.441 4.266 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -11.420 -0.509 2.579 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -11.371 -1.387 4.094 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -13.820 -1.870 2.487 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -12.336 -2.387 1.712 1.00 0.00 H new ATOM 1365 N ILE A 95 -11.352 1.596 4.965 1.00 0.00 N ATOM 1366 CA ILE A 95 -10.724 2.317 6.055 1.00 0.00 C ATOM 1367 C ILE A 95 -11.646 3.389 6.642 1.00 0.00 C ATOM 1368 O ILE A 95 -11.747 3.476 7.867 1.00 0.00 O ATOM 1369 CB ILE A 95 -9.334 2.832 5.640 1.00 0.00 C ATOM 1370 CG1 ILE A 95 -9.362 3.862 4.515 1.00 0.00 C ATOM 1371 CG2 ILE A 95 -8.457 1.645 5.244 1.00 0.00 C ATOM 1372 CD1 ILE A 95 -8.084 4.679 4.454 1.00 0.00 C ATOM 0 H ILE A 95 -11.014 1.860 4.039 1.00 0.00 H new ATOM 0 HA ILE A 95 -10.553 1.623 6.878 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.921 3.351 6.505 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -9.512 3.353 3.563 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -10.212 4.530 4.657 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.471 2.004 4.949 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.358 0.967 6.092 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -8.916 1.116 4.408 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -8.151 5.399 3.638 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.946 5.210 5.396 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.236 4.016 4.284 1.00 0.00 H new ATOM 1384 N VAL A 96 -12.272 4.217 5.803 1.00 0.00 N ATOM 1385 CA VAL A 96 -13.059 5.351 6.280 1.00 0.00 C ATOM 1386 C VAL A 96 -14.481 4.889 6.619 1.00 0.00 C ATOM 1387 O VAL A 96 -15.141 5.607 7.402 1.00 0.00 O ATOM 1388 CB VAL A 96 -13.049 6.530 5.284 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -11.646 7.136 5.091 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -13.650 6.164 3.921 1.00 0.00 C ATOM 1391 OXT VAL A 96 -14.891 3.834 6.083 1.00 0.00 O ATOM 0 H VAL A 96 -12.248 4.121 4.788 1.00 0.00 H new ATOM 0 HA VAL A 96 -12.596 5.732 7.190 1.00 0.00 H new ATOM 0 HB VAL A 96 -13.686 7.287 5.742 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -11.700 7.961 4.380 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.274 7.505 6.047 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.969 6.372 4.709 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.616 7.032 3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.077 5.350 3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -14.685 5.849 4.053 1.00 0.00 H new TER 1401 VAL A 96 HETATM 1402 FE1 FES A 97 -4.216 9.330 -2.440 1.00 0.00 FE HETATM 1403 FE2 FES A 97 -2.939 7.273 -2.661 1.00 0.00 FE HETATM 1404 S1 FES A 97 -2.170 9.226 -1.851 1.00 0.00 S HETATM 1405 S2 FES A 97 -4.425 7.870 -4.042 1.00 0.00 S