USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 824 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 18 ASN : amide:sc= 0.555 K(o=1.3,f=-3.5) USER MOD Set 1.2: A 110 HIS : no HD1:sc= 0.698 K(o=1.3,f=-5.4!) USER MOD Set 2.1: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 101 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 94 ASN : amide:sc= 0.00301 K(o=0.003,f=-1.5) USER MOD Set 3.2: A 96 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 88 ASN : amide:sc= 1.15 K(o=-3,f=-4.2) USER MOD Set 4.2: A 98 ASN : amide:sc= -4.1! C(o=-3!,f=-5.2!) USER MOD Set 5.1: A 74 THR OG1 : rot -63:sc= 1.31 USER MOD Set 5.2: A 78 TYR OH : rot -162:sc= 1.12 USER MOD Set 6.1: A 41 SER OG : rot 75:sc= -0.066 USER MOD Set 6.2: A 51 THR OG1 : rot 180:sc= 0.752 USER MOD Set 7.1: A 39 ASN : amide:sc= -0.183 K(o=0.99,f=-4.8!) USER MOD Set 7.2: A 53 THR OG1 : rot -36:sc= 1.17 USER MOD Single : A 1 MET CE :methyl 138:sc= -0.323 (180deg=-0.817) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0312) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0469 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 34:sc= 0.0907 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0488 USER MOD Single : A 21 ASN : amide:sc= -1.54! C(o=-1.5!,f=-7.1!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -115:sc= -2.23 (180deg=-5.01!) USER MOD Single : A 24 THR OG1 : rot -43:sc= 1.23 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.774 K(o=0.77,f=-3.3!) USER MOD Single : A 30 GLN : amide:sc= -0.141 K(o=-0.14,f=-0.83) USER MOD Single : A 32 ASN : amide:sc= -2.43! C(o=-2.4!,f=-9.6!) USER MOD Single : A 33 LYS NZ :NH3+ 166:sc= -0.044 (180deg=-0.261) USER MOD Single : A 35 SER OG : rot -128:sc= -0.501 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0147 USER MOD Single : A 37 SER OG : rot 40:sc= 1.21 USER MOD Single : A 52 GLN : amide:sc= -1.11 K(o=-1.1,f=-3.7!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -96:sc= 1.22 USER MOD Single : A 59 SER OG : rot 180:sc=-0.00503 USER MOD Single : A 61 ASN : amide:sc= -0.117 K(o=-0.12,f=-2.1!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= -1.46! USER MOD Single : A 64 ASN : amide:sc= 0.82 K(o=0.82,f=-0.76) USER MOD Single : A 68 HIS : no HD1:sc= -0.0177 X(o=-0.018,f=0.00088) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc=-0.00412 K(o=-0.0041,f=-2.9!) USER MOD Single : A 77 SER OG : rot 180:sc= -0.239 USER MOD Single : A 79 THR OG1 : rot 78:sc= 0.151 USER MOD Single : A 83 ASN : amide:sc= -1.3 K(o=-1.3,f=-4.4!) USER MOD Single : A 91 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 97 ASN : amide:sc= -0.0613 X(o=-0.061,f=-0.53) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0172 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.00127 USER MOD Single : A 109 HIS : no HE2:sc= 0.749 K(o=0.75,f=-5.7!) USER MOD Single : A 111 HIS : no HD1:sc= -0.427 X(o=-0.43,f=-0.22) USER MOD Single : A 112 HIS : no HD1:sc= 0.975 K(o=0.97,f=-3.5!) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.970 14.775 -9.381 1.00 0.00 N ATOM 2 CA MET A 1 -13.553 14.674 -8.966 1.00 0.00 C ATOM 3 C MET A 1 -13.432 13.784 -7.743 1.00 0.00 C ATOM 4 O MET A 1 -13.998 14.084 -6.693 1.00 0.00 O ATOM 5 CB MET A 1 -12.976 16.059 -8.648 1.00 0.00 C ATOM 6 CG MET A 1 -12.904 16.992 -9.846 1.00 0.00 C ATOM 7 SD MET A 1 -12.154 18.582 -9.439 1.00 0.00 S ATOM 8 CE MET A 1 -10.508 18.068 -8.945 1.00 0.00 C ATOM 0 H1 MET A 1 -15.033 15.301 -10.276 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.362 13.821 -9.512 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.512 15.274 -8.647 1.00 0.00 H new ATOM 0 HA MET A 1 -12.988 14.241 -9.791 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.585 16.526 -7.874 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.975 15.937 -8.235 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.329 16.515 -10.640 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.909 17.157 -10.235 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.772 18.757 -9.360 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.436 18.073 -7.857 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.314 17.062 -9.317 1.00 0.00 H new ATOM 20 N ILE A 2 -12.692 12.695 -7.874 1.00 0.00 N ATOM 21 CA ILE A 2 -12.528 11.764 -6.771 1.00 0.00 C ATOM 22 C ILE A 2 -11.112 11.183 -6.774 1.00 0.00 C ATOM 23 O ILE A 2 -10.523 10.971 -7.840 1.00 0.00 O ATOM 24 CB ILE A 2 -13.588 10.630 -6.842 1.00 0.00 C ATOM 25 CG1 ILE A 2 -13.888 10.081 -5.445 1.00 0.00 C ATOM 26 CG2 ILE A 2 -13.132 9.499 -7.761 1.00 0.00 C ATOM 27 CD1 ILE A 2 -15.039 9.098 -5.416 1.00 0.00 C ATOM 0 H ILE A 2 -12.198 12.435 -8.728 1.00 0.00 H new ATOM 0 HA ILE A 2 -12.679 12.306 -5.837 1.00 0.00 H new ATOM 0 HB ILE A 2 -14.500 11.060 -7.256 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -12.994 9.593 -5.055 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -14.114 10.913 -4.777 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -13.896 8.722 -7.788 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -12.974 9.889 -8.767 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -12.200 9.078 -7.385 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -15.195 8.750 -4.395 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -15.944 9.587 -5.775 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -14.807 8.248 -6.057 1.00 0.00 H new ATOM 39 N PRO A 3 -10.516 10.993 -5.589 1.00 0.00 N ATOM 40 CA PRO A 3 -9.239 10.306 -5.446 1.00 0.00 C ATOM 41 C PRO A 3 -9.428 8.793 -5.442 1.00 0.00 C ATOM 42 O PRO A 3 -10.171 8.255 -4.621 1.00 0.00 O ATOM 43 CB PRO A 3 -8.709 10.783 -4.084 1.00 0.00 C ATOM 44 CG PRO A 3 -9.734 11.736 -3.546 1.00 0.00 C ATOM 45 CD PRO A 3 -11.007 11.458 -4.291 1.00 0.00 C ATOM 0 HA PRO A 3 -8.557 10.525 -6.268 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.566 9.942 -3.406 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.741 11.273 -4.193 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.872 11.592 -2.474 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.417 12.769 -3.691 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.613 10.702 -3.792 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.625 12.351 -4.386 1.00 0.00 H new ATOM 53 N ASP A 4 -8.770 8.111 -6.362 1.00 0.00 N ATOM 54 CA ASP A 4 -8.886 6.665 -6.452 1.00 0.00 C ATOM 55 C ASP A 4 -7.569 6.020 -6.058 1.00 0.00 C ATOM 56 O ASP A 4 -6.649 5.905 -6.870 1.00 0.00 O ATOM 57 CB ASP A 4 -9.296 6.239 -7.864 1.00 0.00 C ATOM 58 CG ASP A 4 -9.603 4.756 -7.962 1.00 0.00 C ATOM 59 OD1 ASP A 4 -10.281 4.223 -7.061 1.00 0.00 O ATOM 60 OD2 ASP A 4 -9.186 4.122 -8.958 1.00 0.00 O ATOM 0 H ASP A 4 -8.152 8.532 -7.055 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.663 6.331 -5.764 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.173 6.809 -8.171 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.495 6.487 -8.561 1.00 0.00 H new ATOM 65 N LEU A 5 -7.473 5.641 -4.794 1.00 0.00 N ATOM 66 CA LEU A 5 -6.245 5.090 -4.251 1.00 0.00 C ATOM 67 C LEU A 5 -6.104 3.624 -4.630 1.00 0.00 C ATOM 68 O LEU A 5 -6.834 2.764 -4.138 1.00 0.00 O ATOM 69 CB LEU A 5 -6.223 5.258 -2.731 1.00 0.00 C ATOM 70 CG LEU A 5 -6.319 6.708 -2.248 1.00 0.00 C ATOM 71 CD1 LEU A 5 -6.319 6.775 -0.729 1.00 0.00 C ATOM 72 CD2 LEU A 5 -5.175 7.528 -2.818 1.00 0.00 C ATOM 0 H LEU A 5 -8.237 5.706 -4.122 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.400 5.633 -4.675 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -7.050 4.691 -2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -5.303 4.820 -2.344 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.260 7.127 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.388 7.815 -0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.172 6.219 -0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.397 6.339 -0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.255 8.557 -2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.225 7.105 -2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.223 7.511 -3.907 1.00 0.00 H new ATOM 84 N VAL A 6 -5.171 3.349 -5.524 1.00 0.00 N ATOM 85 CA VAL A 6 -4.970 2.002 -6.016 1.00 0.00 C ATOM 86 C VAL A 6 -3.593 1.477 -5.630 1.00 0.00 C ATOM 87 O VAL A 6 -2.573 1.965 -6.121 1.00 0.00 O ATOM 88 CB VAL A 6 -5.119 1.936 -7.553 1.00 0.00 C ATOM 89 CG1 VAL A 6 -4.946 0.511 -8.054 1.00 0.00 C ATOM 90 CG2 VAL A 6 -6.465 2.497 -7.988 1.00 0.00 C ATOM 0 H VAL A 6 -4.540 4.044 -5.924 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.737 1.379 -5.556 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.333 2.549 -7.995 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.055 0.491 -9.138 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.955 0.148 -7.782 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.704 -0.128 -7.601 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.549 2.441 -9.073 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.266 1.916 -7.532 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.545 3.537 -7.671 1.00 0.00 H new ATOM 100 N PRO A 7 -3.544 0.512 -4.703 1.00 0.00 N ATOM 101 CA PRO A 7 -2.334 -0.256 -4.445 1.00 0.00 C ATOM 102 C PRO A 7 -1.993 -1.110 -5.658 1.00 0.00 C ATOM 103 O PRO A 7 -2.622 -2.136 -5.912 1.00 0.00 O ATOM 104 CB PRO A 7 -2.692 -1.126 -3.236 1.00 0.00 C ATOM 105 CG PRO A 7 -4.182 -1.175 -3.220 1.00 0.00 C ATOM 106 CD PRO A 7 -4.653 0.119 -3.824 1.00 0.00 C ATOM 0 HA PRO A 7 -1.461 0.368 -4.253 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.266 -2.125 -3.329 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -2.302 -0.698 -2.313 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -4.549 -2.027 -3.792 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -4.556 -1.288 -2.203 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.580 -0.013 -4.382 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.845 0.872 -3.060 1.00 0.00 H new ATOM 114 N VAL A 8 -1.017 -0.655 -6.420 1.00 0.00 N ATOM 115 CA VAL A 8 -0.723 -1.236 -7.719 1.00 0.00 C ATOM 116 C VAL A 8 0.063 -2.531 -7.590 1.00 0.00 C ATOM 117 O VAL A 8 -0.347 -3.569 -8.104 1.00 0.00 O ATOM 118 CB VAL A 8 0.069 -0.252 -8.598 1.00 0.00 C ATOM 119 CG1 VAL A 8 0.152 -0.751 -10.030 1.00 0.00 C ATOM 120 CG2 VAL A 8 -0.563 1.126 -8.549 1.00 0.00 C ATOM 0 H VAL A 8 -0.409 0.122 -6.160 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.682 -1.453 -8.190 1.00 0.00 H new ATOM 0 HB VAL A 8 1.083 -0.183 -8.205 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.716 -0.038 -10.631 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.653 -1.719 -10.050 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.853 -0.854 -10.438 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.008 1.811 -9.176 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.588 1.069 -8.915 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.564 1.490 -7.521 1.00 0.00 H new ATOM 130 N SER A 9 1.196 -2.467 -6.914 1.00 0.00 N ATOM 131 CA SER A 9 2.054 -3.629 -6.775 1.00 0.00 C ATOM 132 C SER A 9 2.832 -3.584 -5.470 1.00 0.00 C ATOM 133 O SER A 9 3.051 -2.512 -4.897 1.00 0.00 O ATOM 134 CB SER A 9 3.022 -3.711 -7.955 1.00 0.00 C ATOM 135 OG SER A 9 2.319 -3.788 -9.187 1.00 0.00 O ATOM 0 H SER A 9 1.542 -1.625 -6.454 1.00 0.00 H new ATOM 0 HA SER A 9 1.421 -4.516 -6.764 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.672 -2.836 -7.958 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.664 -4.585 -7.843 1.00 0.00 H new ATOM 0 HG SER A 9 2.960 -3.838 -9.927 1.00 0.00 H new ATOM 141 N LEU A 10 3.233 -4.754 -5.013 1.00 0.00 N ATOM 142 CA LEU A 10 4.035 -4.896 -3.814 1.00 0.00 C ATOM 143 C LEU A 10 5.361 -5.554 -4.173 1.00 0.00 C ATOM 144 O LEU A 10 5.412 -6.742 -4.487 1.00 0.00 O ATOM 145 CB LEU A 10 3.273 -5.730 -2.781 1.00 0.00 C ATOM 146 CG LEU A 10 4.059 -6.126 -1.533 1.00 0.00 C ATOM 147 CD1 LEU A 10 4.496 -4.902 -0.745 1.00 0.00 C ATOM 148 CD2 LEU A 10 3.225 -7.046 -0.662 1.00 0.00 C ATOM 0 H LEU A 10 3.010 -5.640 -5.467 1.00 0.00 H new ATOM 0 HA LEU A 10 4.236 -3.916 -3.381 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.391 -5.170 -2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.918 -6.639 -3.267 1.00 0.00 H new ATOM 0 HG LEU A 10 4.957 -6.655 -1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.053 -5.217 0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.131 -4.274 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.618 -4.335 -0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.795 -7.322 0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.311 -6.533 -0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.969 -7.945 -1.223 1.00 0.00 H new ATOM 160 N THR A 11 6.424 -4.771 -4.156 1.00 0.00 N ATOM 161 CA THR A 11 7.729 -5.252 -4.576 1.00 0.00 C ATOM 162 C THR A 11 8.738 -5.203 -3.433 1.00 0.00 C ATOM 163 O THR A 11 8.680 -4.311 -2.585 1.00 0.00 O ATOM 164 CB THR A 11 8.246 -4.432 -5.771 1.00 0.00 C ATOM 165 OG1 THR A 11 7.959 -3.040 -5.571 1.00 0.00 O ATOM 166 CG2 THR A 11 7.604 -4.906 -7.065 1.00 0.00 C ATOM 0 H THR A 11 6.410 -3.796 -3.855 1.00 0.00 H new ATOM 0 HA THR A 11 7.614 -6.292 -4.880 1.00 0.00 H new ATOM 0 HB THR A 11 9.324 -4.573 -5.844 1.00 0.00 H new ATOM 0 HG1 THR A 11 8.292 -2.524 -6.335 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.983 -4.313 -7.898 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.846 -5.956 -7.228 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.522 -4.789 -6.999 1.00 0.00 H new ATOM 174 N PRO A 12 9.676 -6.163 -3.390 1.00 0.00 N ATOM 175 CA PRO A 12 9.768 -7.241 -4.383 1.00 0.00 C ATOM 176 C PRO A 12 8.761 -8.364 -4.128 1.00 0.00 C ATOM 177 O PRO A 12 8.195 -8.463 -3.042 1.00 0.00 O ATOM 178 CB PRO A 12 11.195 -7.749 -4.196 1.00 0.00 C ATOM 179 CG PRO A 12 11.498 -7.504 -2.758 1.00 0.00 C ATOM 180 CD PRO A 12 10.729 -6.269 -2.364 1.00 0.00 C ATOM 0 HA PRO A 12 9.544 -6.893 -5.392 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.274 -8.808 -4.443 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.893 -7.218 -4.844 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.201 -8.357 -2.148 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.568 -7.360 -2.606 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.305 -6.365 -1.365 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.368 -5.386 -2.355 1.00 0.00 H new ATOM 188 N VAL A 13 8.545 -9.206 -5.133 1.00 0.00 N ATOM 189 CA VAL A 13 7.591 -10.307 -5.011 1.00 0.00 C ATOM 190 C VAL A 13 8.210 -11.483 -4.258 1.00 0.00 C ATOM 191 O VAL A 13 7.503 -12.332 -3.715 1.00 0.00 O ATOM 192 CB VAL A 13 7.077 -10.785 -6.389 1.00 0.00 C ATOM 193 CG1 VAL A 13 6.344 -9.660 -7.105 1.00 0.00 C ATOM 194 CG2 VAL A 13 8.216 -11.318 -7.248 1.00 0.00 C ATOM 0 H VAL A 13 9.014 -9.150 -6.037 1.00 0.00 H new ATOM 0 HA VAL A 13 6.740 -9.925 -4.446 1.00 0.00 H new ATOM 0 HB VAL A 13 6.376 -11.603 -6.221 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.990 -10.015 -8.073 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.494 -9.338 -6.503 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.023 -8.820 -7.253 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.823 -11.646 -8.210 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.952 -10.530 -7.406 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.689 -12.160 -6.743 1.00 0.00 H new ATOM 204 N THR A 14 9.533 -11.534 -4.249 1.00 0.00 N ATOM 205 CA THR A 14 10.259 -12.518 -3.491 1.00 0.00 C ATOM 206 C THR A 14 11.057 -11.832 -2.387 1.00 0.00 C ATOM 207 O THR A 14 11.784 -10.871 -2.651 1.00 0.00 O ATOM 208 CB THR A 14 11.202 -13.301 -4.408 1.00 0.00 C ATOM 209 OG1 THR A 14 11.976 -12.396 -5.207 1.00 0.00 O ATOM 210 CG2 THR A 14 10.425 -14.251 -5.309 1.00 0.00 C ATOM 0 H THR A 14 10.126 -10.889 -4.771 1.00 0.00 H new ATOM 0 HA THR A 14 9.550 -13.213 -3.042 1.00 0.00 H new ATOM 0 HB THR A 14 11.870 -13.892 -3.782 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.160 -11.582 -4.694 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.119 -14.794 -5.950 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.867 -14.959 -4.696 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.731 -13.681 -5.927 1.00 0.00 H new ATOM 218 N VAL A 15 10.939 -12.327 -1.166 1.00 0.00 N ATOM 219 CA VAL A 15 11.517 -11.648 -0.014 1.00 0.00 C ATOM 220 C VAL A 15 12.652 -12.449 0.616 1.00 0.00 C ATOM 221 O VAL A 15 12.738 -13.670 0.459 1.00 0.00 O ATOM 222 CB VAL A 15 10.441 -11.365 1.054 1.00 0.00 C ATOM 223 CG1 VAL A 15 9.426 -10.366 0.529 1.00 0.00 C ATOM 224 CG2 VAL A 15 9.750 -12.653 1.480 1.00 0.00 C ATOM 0 H VAL A 15 10.450 -13.194 -0.945 1.00 0.00 H new ATOM 0 HA VAL A 15 11.925 -10.706 -0.381 1.00 0.00 H new ATOM 0 HB VAL A 15 10.931 -10.937 1.929 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.673 -10.176 1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.930 -9.433 0.277 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.945 -10.770 -0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.995 -12.429 2.234 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.273 -13.113 0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.486 -13.340 1.897 1.00 0.00 H new ATOM 234 N VAL A 16 13.518 -11.747 1.336 1.00 0.00 N ATOM 235 CA VAL A 16 14.684 -12.356 1.962 1.00 0.00 C ATOM 236 C VAL A 16 14.353 -12.778 3.393 1.00 0.00 C ATOM 237 O VAL A 16 14.236 -11.932 4.280 1.00 0.00 O ATOM 238 CB VAL A 16 15.879 -11.379 1.979 1.00 0.00 C ATOM 239 CG1 VAL A 16 17.146 -12.078 2.443 1.00 0.00 C ATOM 240 CG2 VAL A 16 16.079 -10.751 0.607 1.00 0.00 C ATOM 0 H VAL A 16 13.432 -10.744 1.502 1.00 0.00 H new ATOM 0 HA VAL A 16 14.959 -13.233 1.376 1.00 0.00 H new ATOM 0 HB VAL A 16 15.655 -10.583 2.689 1.00 0.00 H new ATOM 0 HG11 VAL A 16 17.973 -11.368 2.446 1.00 0.00 H new ATOM 0 HG12 VAL A 16 16.999 -12.468 3.450 1.00 0.00 H new ATOM 0 HG13 VAL A 16 17.377 -12.901 1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 16 16.926 -10.066 0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 16 16.274 -11.533 -0.126 1.00 0.00 H new ATOM 0 HG23 VAL A 16 15.180 -10.203 0.323 1.00 0.00 H new ATOM 250 N PRO A 17 14.216 -14.092 3.640 1.00 0.00 N ATOM 251 CA PRO A 17 13.722 -14.631 4.917 1.00 0.00 C ATOM 252 C PRO A 17 14.727 -14.554 6.070 1.00 0.00 C ATOM 253 O PRO A 17 14.497 -15.131 7.133 1.00 0.00 O ATOM 254 CB PRO A 17 13.419 -16.104 4.601 1.00 0.00 C ATOM 255 CG PRO A 17 13.566 -16.246 3.122 1.00 0.00 C ATOM 256 CD PRO A 17 14.518 -15.173 2.695 1.00 0.00 C ATOM 0 HA PRO A 17 12.868 -14.048 5.262 1.00 0.00 H new ATOM 0 HB2 PRO A 17 14.107 -16.766 5.127 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.412 -16.373 4.921 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.949 -17.233 2.861 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.604 -16.135 2.622 1.00 0.00 H new ATOM 0 HD2 PRO A 17 15.556 -15.498 2.767 1.00 0.00 H new ATOM 0 HD3 PRO A 17 14.351 -14.868 1.662 1.00 0.00 H new ATOM 264 N ASN A 18 15.830 -13.848 5.872 1.00 0.00 N ATOM 265 CA ASN A 18 16.868 -13.765 6.898 1.00 0.00 C ATOM 266 C ASN A 18 17.233 -12.319 7.210 1.00 0.00 C ATOM 267 O ASN A 18 18.351 -12.031 7.639 1.00 0.00 O ATOM 268 CB ASN A 18 18.114 -14.551 6.470 1.00 0.00 C ATOM 269 CG ASN A 18 18.710 -14.071 5.159 1.00 0.00 C ATOM 270 OD1 ASN A 18 18.319 -14.526 4.086 1.00 0.00 O ATOM 271 ND2 ASN A 18 19.672 -13.165 5.235 1.00 0.00 N ATOM 0 H ASN A 18 16.032 -13.327 5.019 1.00 0.00 H new ATOM 0 HA ASN A 18 16.467 -14.211 7.808 1.00 0.00 H new ATOM 0 HB2 ASN A 18 18.869 -14.475 7.253 1.00 0.00 H new ATOM 0 HB3 ASN A 18 17.855 -15.606 6.378 1.00 0.00 H new ATOM 0 HD21 ASN A 18 20.116 -12.820 4.384 1.00 0.00 H new ATOM 0 HD22 ASN A 18 19.969 -12.812 6.145 1.00 0.00 H new ATOM 278 N THR A 19 16.283 -11.418 7.018 1.00 0.00 N ATOM 279 CA THR A 19 16.506 -10.009 7.294 1.00 0.00 C ATOM 280 C THR A 19 15.180 -9.250 7.274 1.00 0.00 C ATOM 281 O THR A 19 14.156 -9.791 6.850 1.00 0.00 O ATOM 282 CB THR A 19 17.490 -9.393 6.267 1.00 0.00 C ATOM 283 OG1 THR A 19 17.861 -8.065 6.651 1.00 0.00 O ATOM 284 CG2 THR A 19 16.881 -9.364 4.873 1.00 0.00 C ATOM 0 H THR A 19 15.349 -11.638 6.672 1.00 0.00 H new ATOM 0 HA THR A 19 16.949 -9.922 8.286 1.00 0.00 H new ATOM 0 HB THR A 19 18.379 -10.023 6.250 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.484 -7.695 5.991 1.00 0.00 H new ATOM 0 HG21 THR A 19 17.594 -8.927 4.174 1.00 0.00 H new ATOM 0 HG22 THR A 19 16.641 -10.380 4.559 1.00 0.00 H new ATOM 0 HG23 THR A 19 15.971 -8.764 4.886 1.00 0.00 H new ATOM 292 N VAL A 20 15.194 -8.012 7.752 1.00 0.00 N ATOM 293 CA VAL A 20 14.018 -7.159 7.677 1.00 0.00 C ATOM 294 C VAL A 20 13.918 -6.571 6.281 1.00 0.00 C ATOM 295 O VAL A 20 14.862 -5.945 5.795 1.00 0.00 O ATOM 296 CB VAL A 20 14.057 -6.015 8.714 1.00 0.00 C ATOM 297 CG1 VAL A 20 12.807 -5.151 8.612 1.00 0.00 C ATOM 298 CG2 VAL A 20 14.198 -6.575 10.117 1.00 0.00 C ATOM 0 H VAL A 20 16.005 -7.579 8.194 1.00 0.00 H new ATOM 0 HA VAL A 20 13.146 -7.774 7.900 1.00 0.00 H new ATOM 0 HB VAL A 20 14.924 -5.390 8.499 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.856 -4.352 9.351 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.744 -4.718 7.614 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.925 -5.764 8.798 1.00 0.00 H new ATOM 0 HG21 VAL A 20 14.224 -5.755 10.835 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.350 -7.223 10.337 1.00 0.00 H new ATOM 0 HG23 VAL A 20 15.122 -7.149 10.188 1.00 0.00 H new ATOM 308 N ASN A 21 12.786 -6.782 5.635 1.00 0.00 N ATOM 309 CA ASN A 21 12.615 -6.356 4.258 1.00 0.00 C ATOM 310 C ASN A 21 11.839 -5.060 4.204 1.00 0.00 C ATOM 311 O ASN A 21 10.692 -4.990 4.649 1.00 0.00 O ATOM 312 CB ASN A 21 11.892 -7.418 3.418 1.00 0.00 C ATOM 313 CG ASN A 21 12.735 -8.651 3.129 1.00 0.00 C ATOM 314 OD1 ASN A 21 12.676 -9.210 2.035 1.00 0.00 O ATOM 315 ND2 ASN A 21 13.499 -9.102 4.106 1.00 0.00 N ATOM 0 H ASN A 21 11.973 -7.245 6.041 1.00 0.00 H new ATOM 0 HA ASN A 21 13.610 -6.209 3.838 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.985 -7.724 3.939 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.582 -6.971 2.473 1.00 0.00 H new ATOM 0 HD21 ASN A 21 14.065 -9.939 3.966 1.00 0.00 H new ATOM 0 HD22 ASN A 21 13.524 -8.613 5.001 1.00 0.00 H new ATOM 322 N THR A 22 12.475 -4.029 3.688 1.00 0.00 N ATOM 323 CA THR A 22 11.805 -2.771 3.452 1.00 0.00 C ATOM 324 C THR A 22 11.074 -2.845 2.118 1.00 0.00 C ATOM 325 O THR A 22 11.606 -2.453 1.076 1.00 0.00 O ATOM 326 CB THR A 22 12.805 -1.603 3.446 1.00 0.00 C ATOM 327 OG1 THR A 22 13.713 -1.737 4.551 1.00 0.00 O ATOM 328 CG2 THR A 22 12.085 -0.270 3.541 1.00 0.00 C ATOM 0 H THR A 22 13.460 -4.040 3.423 1.00 0.00 H new ATOM 0 HA THR A 22 11.092 -2.592 4.257 1.00 0.00 H new ATOM 0 HB THR A 22 13.358 -1.631 2.507 1.00 0.00 H new ATOM 0 HG1 THR A 22 14.350 -0.992 4.543 1.00 0.00 H new ATOM 0 HG21 THR A 22 12.815 0.539 3.535 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.412 -0.158 2.691 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.510 -0.232 4.466 1.00 0.00 H new ATOM 336 N MET A 23 9.875 -3.403 2.150 1.00 0.00 N ATOM 337 CA MET A 23 9.123 -3.654 0.934 1.00 0.00 C ATOM 338 C MET A 23 8.397 -2.406 0.481 1.00 0.00 C ATOM 339 O MET A 23 7.880 -1.649 1.299 1.00 0.00 O ATOM 340 CB MET A 23 8.128 -4.790 1.140 1.00 0.00 C ATOM 341 CG MET A 23 8.787 -6.104 1.509 1.00 0.00 C ATOM 342 SD MET A 23 7.630 -7.477 1.466 1.00 0.00 S ATOM 343 CE MET A 23 7.173 -7.459 -0.264 1.00 0.00 C ATOM 0 H MET A 23 9.402 -3.691 3.007 1.00 0.00 H new ATOM 0 HA MET A 23 9.831 -3.945 0.158 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.426 -4.511 1.925 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.548 -4.926 0.227 1.00 0.00 H new ATOM 0 HG2 MET A 23 9.609 -6.302 0.821 1.00 0.00 H new ATOM 0 HG3 MET A 23 9.218 -6.025 2.507 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.116 -7.210 -0.359 1.00 0.00 H new ATOM 0 HE2 MET A 23 7.770 -6.714 -0.790 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.354 -8.442 -0.698 1.00 0.00 H new ATOM 353 N THR A 24 8.350 -2.213 -0.823 1.00 0.00 N ATOM 354 CA THR A 24 7.771 -1.020 -1.396 1.00 0.00 C ATOM 355 C THR A 24 6.421 -1.320 -2.041 1.00 0.00 C ATOM 356 O THR A 24 6.345 -2.016 -3.057 1.00 0.00 O ATOM 357 CB THR A 24 8.714 -0.416 -2.451 1.00 0.00 C ATOM 358 OG1 THR A 24 10.029 -0.252 -1.898 1.00 0.00 O ATOM 359 CG2 THR A 24 8.195 0.927 -2.937 1.00 0.00 C ATOM 0 H THR A 24 8.711 -2.876 -1.509 1.00 0.00 H new ATOM 0 HA THR A 24 7.624 -0.304 -0.587 1.00 0.00 H new ATOM 0 HB THR A 24 8.758 -1.100 -3.299 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.959 0.104 -0.988 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.879 1.333 -3.682 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.209 0.796 -3.383 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.124 1.616 -2.095 1.00 0.00 H new ATOM 367 N ALA A 25 5.362 -0.816 -1.428 1.00 0.00 N ATOM 368 CA ALA A 25 4.040 -0.883 -2.013 1.00 0.00 C ATOM 369 C ALA A 25 3.792 0.375 -2.829 1.00 0.00 C ATOM 370 O ALA A 25 3.886 1.488 -2.314 1.00 0.00 O ATOM 371 CB ALA A 25 2.983 -1.042 -0.931 1.00 0.00 C ATOM 0 H ALA A 25 5.397 -0.354 -0.519 1.00 0.00 H new ATOM 0 HA ALA A 25 3.977 -1.753 -2.667 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.996 -1.090 -1.391 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.169 -1.960 -0.373 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.026 -0.190 -0.253 1.00 0.00 H new ATOM 377 N THR A 26 3.504 0.201 -4.101 1.00 0.00 N ATOM 378 CA THR A 26 3.306 1.323 -4.992 1.00 0.00 C ATOM 379 C THR A 26 1.836 1.716 -5.025 1.00 0.00 C ATOM 380 O THR A 26 1.010 1.016 -5.611 1.00 0.00 O ATOM 381 CB THR A 26 3.792 0.986 -6.414 1.00 0.00 C ATOM 382 OG1 THR A 26 5.127 0.462 -6.357 1.00 0.00 O ATOM 383 CG2 THR A 26 3.763 2.218 -7.306 1.00 0.00 C ATOM 0 H THR A 26 3.401 -0.713 -4.543 1.00 0.00 H new ATOM 0 HA THR A 26 3.891 2.163 -4.617 1.00 0.00 H new ATOM 0 HB THR A 26 3.121 0.239 -6.838 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.433 0.247 -7.263 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.111 1.953 -8.304 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.744 2.600 -7.366 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.414 2.986 -6.887 1.00 0.00 H new ATOM 391 N ILE A 27 1.506 2.812 -4.359 1.00 0.00 N ATOM 392 CA ILE A 27 0.135 3.290 -4.330 1.00 0.00 C ATOM 393 C ILE A 27 -0.019 4.457 -5.293 1.00 0.00 C ATOM 394 O ILE A 27 0.632 5.492 -5.130 1.00 0.00 O ATOM 395 CB ILE A 27 -0.292 3.745 -2.915 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.182 2.749 -1.848 1.00 0.00 C ATOM 397 CG2 ILE A 27 -1.804 3.917 -2.848 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.310 1.330 -2.044 1.00 0.00 C ATOM 0 H ILE A 27 2.167 3.384 -3.834 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.507 2.460 -4.627 1.00 0.00 H new ATOM 0 HB ILE A 27 0.180 4.706 -2.712 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.272 2.743 -1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.146 3.101 -0.870 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.090 4.237 -1.846 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.117 4.669 -3.573 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.289 2.968 -3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.075 0.698 -1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.400 1.317 -2.025 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.041 0.953 -3.005 1.00 0.00 H new ATOM 410 N GLU A 28 -0.850 4.279 -6.306 1.00 0.00 N ATOM 411 CA GLU A 28 -1.082 5.328 -7.285 1.00 0.00 C ATOM 412 C GLU A 28 -2.480 5.906 -7.138 1.00 0.00 C ATOM 413 O GLU A 28 -3.442 5.180 -6.888 1.00 0.00 O ATOM 414 CB GLU A 28 -0.885 4.790 -8.701 1.00 0.00 C ATOM 415 CG GLU A 28 0.563 4.475 -9.028 1.00 0.00 C ATOM 416 CD GLU A 28 0.740 3.891 -10.413 1.00 0.00 C ATOM 417 OE1 GLU A 28 0.215 4.477 -11.378 1.00 0.00 O ATOM 418 OE2 GLU A 28 1.399 2.841 -10.539 1.00 0.00 O ATOM 0 H GLU A 28 -1.374 3.420 -6.472 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.358 6.123 -7.105 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.483 3.887 -8.826 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.261 5.522 -9.416 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.156 5.386 -8.945 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.952 3.773 -8.291 1.00 0.00 H new ATOM 425 N ASN A 29 -2.579 7.218 -7.273 1.00 0.00 N ATOM 426 CA ASN A 29 -3.870 7.887 -7.257 1.00 0.00 C ATOM 427 C ASN A 29 -4.397 8.021 -8.676 1.00 0.00 C ATOM 428 O ASN A 29 -4.062 8.969 -9.395 1.00 0.00 O ATOM 429 CB ASN A 29 -3.764 9.263 -6.591 1.00 0.00 C ATOM 430 CG ASN A 29 -5.069 10.041 -6.626 1.00 0.00 C ATOM 431 OD1 ASN A 29 -6.158 9.466 -6.640 1.00 0.00 O ATOM 432 ND2 ASN A 29 -4.963 11.359 -6.634 1.00 0.00 N ATOM 0 H ASN A 29 -1.781 7.841 -7.395 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.567 7.286 -6.674 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.451 9.136 -5.555 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.988 9.843 -7.090 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -5.802 11.938 -6.652 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.042 11.797 -6.622 1.00 0.00 H new ATOM 439 N GLN A 30 -5.206 7.055 -9.079 1.00 0.00 N ATOM 440 CA GLN A 30 -5.765 7.028 -10.421 1.00 0.00 C ATOM 441 C GLN A 30 -7.095 7.771 -10.453 1.00 0.00 C ATOM 442 O GLN A 30 -8.109 7.264 -10.940 1.00 0.00 O ATOM 443 CB GLN A 30 -5.936 5.583 -10.898 1.00 0.00 C ATOM 444 CG GLN A 30 -4.616 4.867 -11.158 1.00 0.00 C ATOM 445 CD GLN A 30 -3.813 5.508 -12.276 1.00 0.00 C ATOM 446 OE1 GLN A 30 -4.375 6.095 -13.205 1.00 0.00 O ATOM 447 NE2 GLN A 30 -2.496 5.391 -12.205 1.00 0.00 N ATOM 0 H GLN A 30 -5.492 6.273 -8.490 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.076 7.531 -11.099 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.501 5.026 -10.150 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.529 5.579 -11.813 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.022 4.865 -10.244 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.816 3.826 -11.410 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.069 4.898 -11.421 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.908 5.794 -12.935 1.00 0.00 H new ATOM 456 N GLY A 31 -7.062 8.992 -9.952 1.00 0.00 N ATOM 457 CA GLY A 31 -8.239 9.823 -9.912 1.00 0.00 C ATOM 458 C GLY A 31 -7.872 11.263 -10.156 1.00 0.00 C ATOM 459 O GLY A 31 -6.721 11.651 -9.959 1.00 0.00 O ATOM 0 H GLY A 31 -6.224 9.428 -9.566 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.953 9.490 -10.665 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.729 9.725 -8.943 1.00 0.00 H new ATOM 463 N ASN A 32 -8.833 12.056 -10.599 1.00 0.00 N ATOM 464 CA ASN A 32 -8.558 13.431 -11.004 1.00 0.00 C ATOM 465 C ASN A 32 -8.594 14.388 -9.817 1.00 0.00 C ATOM 466 O ASN A 32 -8.476 15.600 -9.980 1.00 0.00 O ATOM 467 CB ASN A 32 -9.540 13.879 -12.091 1.00 0.00 C ATOM 468 CG ASN A 32 -10.983 13.944 -11.620 1.00 0.00 C ATOM 469 OD1 ASN A 32 -11.386 13.253 -10.680 1.00 0.00 O ATOM 470 ND2 ASN A 32 -11.775 14.763 -12.290 1.00 0.00 N ATOM 0 H ASN A 32 -9.810 11.775 -10.689 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.548 13.457 -11.414 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -9.241 14.862 -12.456 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.473 13.192 -12.935 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -12.760 14.841 -12.036 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -11.401 15.317 -13.061 1.00 0.00 H new ATOM 477 N LYS A 33 -8.754 13.837 -8.624 1.00 0.00 N ATOM 478 CA LYS A 33 -8.669 14.623 -7.405 1.00 0.00 C ATOM 479 C LYS A 33 -7.490 14.137 -6.575 1.00 0.00 C ATOM 480 O LYS A 33 -7.284 12.932 -6.426 1.00 0.00 O ATOM 481 CB LYS A 33 -9.967 14.522 -6.599 1.00 0.00 C ATOM 482 CG LYS A 33 -9.934 15.298 -5.292 1.00 0.00 C ATOM 483 CD LYS A 33 -11.267 15.240 -4.566 1.00 0.00 C ATOM 484 CE LYS A 33 -11.218 16.009 -3.253 1.00 0.00 C ATOM 485 NZ LYS A 33 -10.849 17.436 -3.457 1.00 0.00 N ATOM 0 H LYS A 33 -8.944 12.846 -8.475 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.521 15.670 -7.668 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.793 14.889 -7.209 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -10.171 13.473 -6.384 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.152 14.893 -4.649 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.675 16.337 -5.493 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.048 15.654 -5.203 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.532 14.201 -4.371 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.190 15.952 -2.763 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.496 15.540 -2.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.054 17.975 -2.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.834 17.504 -3.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.400 17.827 -4.247 1.00 0.00 H new ATOM 499 N ASP A 34 -6.708 15.072 -6.055 1.00 0.00 N ATOM 500 CA ASP A 34 -5.537 14.726 -5.259 1.00 0.00 C ATOM 501 C ASP A 34 -5.966 14.173 -3.908 1.00 0.00 C ATOM 502 O ASP A 34 -6.913 14.668 -3.295 1.00 0.00 O ATOM 503 CB ASP A 34 -4.628 15.941 -5.058 1.00 0.00 C ATOM 504 CG ASP A 34 -4.159 16.546 -6.366 1.00 0.00 C ATOM 505 OD1 ASP A 34 -3.267 15.963 -7.018 1.00 0.00 O ATOM 506 OD2 ASP A 34 -4.681 17.612 -6.751 1.00 0.00 O ATOM 0 H ASP A 34 -6.862 16.074 -6.169 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.976 13.964 -5.799 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -5.162 16.698 -4.484 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.761 15.646 -4.467 1.00 0.00 H new ATOM 511 N SER A 35 -5.271 13.148 -3.451 1.00 0.00 N ATOM 512 CA SER A 35 -5.621 12.492 -2.207 1.00 0.00 C ATOM 513 C SER A 35 -4.811 13.060 -1.053 1.00 0.00 C ATOM 514 O SER A 35 -3.615 13.319 -1.187 1.00 0.00 O ATOM 515 CB SER A 35 -5.382 10.987 -2.317 1.00 0.00 C ATOM 516 OG SER A 35 -5.773 10.317 -1.132 1.00 0.00 O ATOM 0 H SER A 35 -4.459 12.752 -3.925 1.00 0.00 H new ATOM 0 HA SER A 35 -6.678 12.672 -2.013 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.941 10.589 -3.164 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.327 10.797 -2.514 1.00 0.00 H new ATOM 0 HG SER A 35 -5.037 9.751 -0.818 1.00 0.00 H new ATOM 522 N THR A 36 -5.469 13.241 0.078 1.00 0.00 N ATOM 523 CA THR A 36 -4.817 13.732 1.274 1.00 0.00 C ATOM 524 C THR A 36 -4.138 12.586 2.021 1.00 0.00 C ATOM 525 O THR A 36 -3.942 11.504 1.459 1.00 0.00 O ATOM 526 CB THR A 36 -5.837 14.427 2.194 1.00 0.00 C ATOM 527 OG1 THR A 36 -6.980 13.580 2.387 1.00 0.00 O ATOM 528 CG2 THR A 36 -6.279 15.756 1.603 1.00 0.00 C ATOM 0 H THR A 36 -6.465 13.052 0.191 1.00 0.00 H new ATOM 0 HA THR A 36 -4.058 14.456 0.978 1.00 0.00 H new ATOM 0 HB THR A 36 -5.358 14.616 3.155 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.624 14.028 2.975 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.000 16.229 2.270 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.413 16.407 1.484 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.742 15.586 0.631 1.00 0.00 H new ATOM 536 N SER A 37 -3.766 12.831 3.272 1.00 0.00 N ATOM 537 CA SER A 37 -3.147 11.815 4.107 1.00 0.00 C ATOM 538 C SER A 37 -4.046 10.588 4.230 1.00 0.00 C ATOM 539 O SER A 37 -5.246 10.705 4.489 1.00 0.00 O ATOM 540 CB SER A 37 -2.849 12.390 5.494 1.00 0.00 C ATOM 541 OG SER A 37 -2.126 11.468 6.296 1.00 0.00 O ATOM 0 H SER A 37 -3.885 13.734 3.731 1.00 0.00 H new ATOM 0 HA SER A 37 -2.213 11.507 3.638 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.276 13.312 5.391 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.784 12.650 5.990 1.00 0.00 H new ATOM 0 HG SER A 37 -1.460 11.006 5.744 1.00 0.00 H new ATOM 547 N PHE A 38 -3.460 9.418 4.019 1.00 0.00 N ATOM 548 CA PHE A 38 -4.176 8.161 4.160 1.00 0.00 C ATOM 549 C PHE A 38 -3.248 7.115 4.771 1.00 0.00 C ATOM 550 O PHE A 38 -2.033 7.151 4.558 1.00 0.00 O ATOM 551 CB PHE A 38 -4.724 7.689 2.804 1.00 0.00 C ATOM 552 CG PHE A 38 -3.666 7.292 1.812 1.00 0.00 C ATOM 553 CD1 PHE A 38 -2.951 8.247 1.104 1.00 0.00 C ATOM 554 CD2 PHE A 38 -3.389 5.957 1.588 1.00 0.00 C ATOM 555 CE1 PHE A 38 -1.977 7.869 0.199 1.00 0.00 C ATOM 556 CE2 PHE A 38 -2.421 5.578 0.683 1.00 0.00 C ATOM 557 CZ PHE A 38 -1.714 6.530 -0.009 1.00 0.00 C ATOM 0 H PHE A 38 -2.482 9.315 3.747 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.029 8.307 4.823 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.387 6.840 2.969 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.329 8.487 2.372 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.157 9.295 1.261 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.938 5.201 2.129 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.423 8.620 -0.344 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.218 4.530 0.518 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.953 6.232 -0.715 1.00 0.00 H new ATOM 567 N ASN A 39 -3.812 6.196 5.532 1.00 0.00 N ATOM 568 CA ASN A 39 -3.016 5.250 6.307 1.00 0.00 C ATOM 569 C ASN A 39 -3.015 3.863 5.660 1.00 0.00 C ATOM 570 O ASN A 39 -4.036 3.190 5.633 1.00 0.00 O ATOM 571 CB ASN A 39 -3.581 5.171 7.727 1.00 0.00 C ATOM 572 CG ASN A 39 -2.679 4.419 8.680 1.00 0.00 C ATOM 573 OD1 ASN A 39 -1.455 4.436 8.540 1.00 0.00 O ATOM 574 ND2 ASN A 39 -3.279 3.761 9.660 1.00 0.00 N ATOM 0 H ASN A 39 -4.820 6.081 5.633 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.984 5.600 6.336 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.740 6.181 8.106 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.556 4.685 7.698 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.724 3.240 10.339 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.296 3.776 9.736 1.00 0.00 H new ATOM 581 N VAL A 40 -1.866 3.421 5.163 1.00 0.00 N ATOM 582 CA VAL A 40 -1.784 2.150 4.451 1.00 0.00 C ATOM 583 C VAL A 40 -1.179 1.077 5.344 1.00 0.00 C ATOM 584 O VAL A 40 -0.078 1.236 5.870 1.00 0.00 O ATOM 585 CB VAL A 40 -0.987 2.286 3.125 1.00 0.00 C ATOM 586 CG1 VAL A 40 -0.286 0.989 2.750 1.00 0.00 C ATOM 587 CG2 VAL A 40 -1.921 2.689 2.009 1.00 0.00 C ATOM 0 H VAL A 40 -0.980 3.921 5.239 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.798 1.849 4.189 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.225 3.051 3.275 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.260 1.127 1.817 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.411 0.711 3.540 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.026 0.199 2.624 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.359 2.784 1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.694 1.930 1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.386 3.645 2.251 1.00 0.00 H new ATOM 597 N SER A 41 -1.915 -0.007 5.521 1.00 0.00 N ATOM 598 CA SER A 41 -1.502 -1.068 6.418 1.00 0.00 C ATOM 599 C SER A 41 -1.208 -2.344 5.638 1.00 0.00 C ATOM 600 O SER A 41 -1.867 -2.636 4.635 1.00 0.00 O ATOM 601 CB SER A 41 -2.599 -1.322 7.456 1.00 0.00 C ATOM 602 OG SER A 41 -2.136 -2.157 8.499 1.00 0.00 O ATOM 0 H SER A 41 -2.805 -0.174 5.052 1.00 0.00 H new ATOM 0 HA SER A 41 -0.589 -0.762 6.929 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.937 -0.372 7.871 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.460 -1.784 6.973 1.00 0.00 H new ATOM 0 HG SER A 41 -1.548 -1.644 9.092 1.00 0.00 H new ATOM 608 N LEU A 42 -0.210 -3.088 6.091 1.00 0.00 N ATOM 609 CA LEU A 42 0.155 -4.345 5.464 1.00 0.00 C ATOM 610 C LEU A 42 -0.298 -5.514 6.326 1.00 0.00 C ATOM 611 O LEU A 42 0.208 -5.720 7.433 1.00 0.00 O ATOM 612 CB LEU A 42 1.668 -4.416 5.243 1.00 0.00 C ATOM 613 CG LEU A 42 2.158 -5.664 4.507 1.00 0.00 C ATOM 614 CD1 LEU A 42 1.607 -5.699 3.088 1.00 0.00 C ATOM 615 CD2 LEU A 42 3.677 -5.714 4.493 1.00 0.00 C ATOM 0 H LEU A 42 0.364 -2.839 6.897 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.343 -4.403 4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.979 -3.536 4.681 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.164 -4.367 6.212 1.00 0.00 H new ATOM 0 HG LEU A 42 1.792 -6.542 5.038 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.966 -6.594 2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.518 -5.713 3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.942 -4.815 2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.007 -6.609 3.965 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.065 -4.830 3.987 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.050 -5.739 5.517 1.00 0.00 H new ATOM 627 N LEU A 43 -1.260 -6.266 5.820 1.00 0.00 N ATOM 628 CA LEU A 43 -1.773 -7.424 6.528 1.00 0.00 C ATOM 629 C LEU A 43 -1.168 -8.692 5.941 1.00 0.00 C ATOM 630 O LEU A 43 -1.231 -8.908 4.736 1.00 0.00 O ATOM 631 CB LEU A 43 -3.303 -7.492 6.435 1.00 0.00 C ATOM 632 CG LEU A 43 -4.055 -6.220 6.849 1.00 0.00 C ATOM 633 CD1 LEU A 43 -4.208 -5.268 5.674 1.00 0.00 C ATOM 634 CD2 LEU A 43 -5.416 -6.573 7.427 1.00 0.00 C ATOM 0 H LEU A 43 -1.703 -6.094 4.917 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.496 -7.335 7.578 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.575 -7.734 5.408 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.650 -8.316 7.059 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.469 -5.716 7.617 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.744 -4.376 5.996 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.222 -4.985 5.304 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.767 -5.760 4.878 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.937 -5.660 7.716 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.003 -7.104 6.678 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.286 -7.209 8.303 1.00 0.00 H new ATOM 646 N VAL A 44 -0.587 -9.528 6.784 1.00 0.00 N ATOM 647 CA VAL A 44 0.060 -10.740 6.312 1.00 0.00 C ATOM 648 C VAL A 44 -0.743 -11.943 6.756 1.00 0.00 C ATOM 649 O VAL A 44 -0.727 -12.300 7.926 1.00 0.00 O ATOM 650 CB VAL A 44 1.506 -10.861 6.835 1.00 0.00 C ATOM 651 CG1 VAL A 44 2.144 -12.162 6.366 1.00 0.00 C ATOM 652 CG2 VAL A 44 2.336 -9.669 6.389 1.00 0.00 C ATOM 0 H VAL A 44 -0.550 -9.391 7.794 1.00 0.00 H new ATOM 0 HA VAL A 44 0.104 -10.695 5.224 1.00 0.00 H new ATOM 0 HB VAL A 44 1.474 -10.871 7.924 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.163 -12.225 6.747 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.564 -13.007 6.738 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.162 -12.186 5.276 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.353 -9.772 6.767 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.356 -9.627 5.300 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.895 -8.752 6.779 1.00 0.00 H new ATOM 662 N ASP A 45 -1.477 -12.535 5.824 1.00 0.00 N ATOM 663 CA ASP A 45 -2.365 -13.655 6.127 1.00 0.00 C ATOM 664 C ASP A 45 -3.486 -13.212 7.063 1.00 0.00 C ATOM 665 O ASP A 45 -4.135 -14.034 7.710 1.00 0.00 O ATOM 666 CB ASP A 45 -1.581 -14.827 6.735 1.00 0.00 C ATOM 667 CG ASP A 45 -0.982 -15.739 5.678 1.00 0.00 C ATOM 668 OD1 ASP A 45 -0.064 -15.306 4.948 1.00 0.00 O ATOM 669 OD2 ASP A 45 -1.449 -16.894 5.558 1.00 0.00 O ATOM 0 H ASP A 45 -1.476 -12.257 4.843 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.812 -13.997 5.193 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.784 -14.437 7.367 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.243 -15.407 7.378 1.00 0.00 H new ATOM 674 N GLY A 46 -3.712 -11.903 7.117 1.00 0.00 N ATOM 675 CA GLY A 46 -4.776 -11.358 7.936 1.00 0.00 C ATOM 676 C GLY A 46 -4.269 -10.439 9.032 1.00 0.00 C ATOM 677 O GLY A 46 -4.980 -9.533 9.461 1.00 0.00 O ATOM 0 H GLY A 46 -3.172 -11.207 6.603 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.471 -10.808 7.301 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.336 -12.177 8.387 1.00 0.00 H new ATOM 681 N ILE A 47 -3.036 -10.656 9.476 1.00 0.00 N ATOM 682 CA ILE A 47 -2.487 -9.905 10.604 1.00 0.00 C ATOM 683 C ILE A 47 -1.738 -8.658 10.160 1.00 0.00 C ATOM 684 O ILE A 47 -0.956 -8.684 9.215 1.00 0.00 O ATOM 685 CB ILE A 47 -1.573 -10.785 11.490 1.00 0.00 C ATOM 686 CG1 ILE A 47 -0.373 -10.006 12.045 1.00 0.00 C ATOM 687 CG2 ILE A 47 -1.105 -12.022 10.745 1.00 0.00 C ATOM 688 CD1 ILE A 47 0.644 -10.883 12.742 1.00 0.00 C ATOM 0 H ILE A 47 -2.398 -11.343 9.075 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.344 -9.587 11.198 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.178 -11.102 12.340 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.115 -9.475 11.228 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.732 -9.252 12.745 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.465 -12.618 11.396 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.969 -12.614 10.444 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.544 -11.723 9.859 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.465 -10.267 13.109 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.170 -11.394 13.580 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.031 -11.621 12.039 1.00 0.00 H new ATOM 700 N VAL A 48 -1.979 -7.574 10.872 1.00 0.00 N ATOM 701 CA VAL A 48 -1.328 -6.303 10.591 1.00 0.00 C ATOM 702 C VAL A 48 0.093 -6.301 11.147 1.00 0.00 C ATOM 703 O VAL A 48 0.294 -6.218 12.358 1.00 0.00 O ATOM 704 CB VAL A 48 -2.119 -5.123 11.198 1.00 0.00 C ATOM 705 CG1 VAL A 48 -1.377 -3.811 11.004 1.00 0.00 C ATOM 706 CG2 VAL A 48 -3.512 -5.045 10.591 1.00 0.00 C ATOM 0 H VAL A 48 -2.628 -7.546 11.658 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.296 -6.180 9.508 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.218 -5.299 12.269 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.956 -2.997 11.441 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.404 -3.867 11.493 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.237 -3.626 9.939 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.054 -4.208 11.031 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.432 -4.900 9.514 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.049 -5.972 10.793 1.00 0.00 H new ATOM 716 N VAL A 49 1.075 -6.416 10.263 1.00 0.00 N ATOM 717 CA VAL A 49 2.470 -6.417 10.686 1.00 0.00 C ATOM 718 C VAL A 49 3.028 -4.997 10.788 1.00 0.00 C ATOM 719 O VAL A 49 3.750 -4.676 11.733 1.00 0.00 O ATOM 720 CB VAL A 49 3.362 -7.266 9.749 1.00 0.00 C ATOM 721 CG1 VAL A 49 2.995 -8.737 9.857 1.00 0.00 C ATOM 722 CG2 VAL A 49 3.259 -6.793 8.304 1.00 0.00 C ATOM 0 H VAL A 49 0.934 -6.509 9.257 1.00 0.00 H new ATOM 0 HA VAL A 49 2.489 -6.872 11.676 1.00 0.00 H new ATOM 0 HB VAL A 49 4.397 -7.139 10.066 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.631 -9.321 9.192 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.138 -9.073 10.884 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.952 -8.873 9.573 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.898 -7.411 7.673 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.226 -6.876 7.967 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.580 -5.753 8.238 1.00 0.00 H new ATOM 732 N ASP A 50 2.675 -4.141 9.832 1.00 0.00 N ATOM 733 CA ASP A 50 3.181 -2.773 9.811 1.00 0.00 C ATOM 734 C ASP A 50 2.222 -1.861 9.052 1.00 0.00 C ATOM 735 O ASP A 50 1.460 -2.319 8.201 1.00 0.00 O ATOM 736 CB ASP A 50 4.580 -2.724 9.185 1.00 0.00 C ATOM 737 CG ASP A 50 5.236 -1.363 9.327 1.00 0.00 C ATOM 738 OD1 ASP A 50 4.967 -0.668 10.334 1.00 0.00 O ATOM 739 OD2 ASP A 50 6.016 -0.978 8.433 1.00 0.00 O ATOM 0 H ASP A 50 2.043 -4.370 9.065 1.00 0.00 H new ATOM 0 HA ASP A 50 3.254 -2.418 10.839 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.211 -3.478 9.655 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.510 -2.981 8.128 1.00 0.00 H new ATOM 744 N THR A 51 2.263 -0.576 9.376 1.00 0.00 N ATOM 745 CA THR A 51 1.340 0.402 8.821 1.00 0.00 C ATOM 746 C THR A 51 2.060 1.729 8.591 1.00 0.00 C ATOM 747 O THR A 51 2.746 2.233 9.482 1.00 0.00 O ATOM 748 CB THR A 51 0.146 0.618 9.777 1.00 0.00 C ATOM 749 OG1 THR A 51 -0.384 -0.649 10.200 1.00 0.00 O ATOM 750 CG2 THR A 51 -0.954 1.420 9.107 1.00 0.00 C ATOM 0 H THR A 51 2.938 -0.183 10.032 1.00 0.00 H new ATOM 0 HA THR A 51 0.967 0.025 7.869 1.00 0.00 H new ATOM 0 HB THR A 51 0.508 1.174 10.642 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.139 -0.502 10.807 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.781 1.556 9.804 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.565 2.394 8.811 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.307 0.887 8.224 1.00 0.00 H new ATOM 758 N GLN A 52 1.912 2.284 7.399 1.00 0.00 N ATOM 759 CA GLN A 52 2.561 3.538 7.055 1.00 0.00 C ATOM 760 C GLN A 52 1.519 4.589 6.694 1.00 0.00 C ATOM 761 O GLN A 52 0.693 4.374 5.805 1.00 0.00 O ATOM 762 CB GLN A 52 3.516 3.347 5.875 1.00 0.00 C ATOM 763 CG GLN A 52 4.441 4.534 5.650 1.00 0.00 C ATOM 764 CD GLN A 52 4.990 4.600 4.236 1.00 0.00 C ATOM 765 OE1 GLN A 52 6.038 4.039 3.932 1.00 0.00 O ATOM 766 NE2 GLN A 52 4.285 5.302 3.358 1.00 0.00 N ATOM 0 H GLN A 52 1.346 1.884 6.651 1.00 0.00 H new ATOM 0 HA GLN A 52 3.130 3.873 7.922 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.117 2.454 6.044 1.00 0.00 H new ATOM 0 HB3 GLN A 52 2.934 3.172 4.970 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.900 5.455 5.867 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.271 4.479 6.354 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.418 5.755 3.646 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.610 5.388 2.395 1.00 0.00 H new ATOM 775 N THR A 53 1.558 5.720 7.373 1.00 0.00 N ATOM 776 CA THR A 53 0.642 6.805 7.078 1.00 0.00 C ATOM 777 C THR A 53 1.255 7.745 6.045 1.00 0.00 C ATOM 778 O THR A 53 2.284 8.372 6.293 1.00 0.00 O ATOM 779 CB THR A 53 0.285 7.597 8.349 1.00 0.00 C ATOM 780 OG1 THR A 53 -0.079 6.688 9.395 1.00 0.00 O ATOM 781 CG2 THR A 53 -0.866 8.558 8.085 1.00 0.00 C ATOM 0 H THR A 53 2.213 5.911 8.131 1.00 0.00 H new ATOM 0 HA THR A 53 -0.273 6.368 6.677 1.00 0.00 H new ATOM 0 HB THR A 53 1.157 8.177 8.650 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.560 5.925 9.012 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.099 9.106 8.998 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.581 9.261 7.303 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.743 7.996 7.765 1.00 0.00 H new ATOM 789 N VAL A 54 0.626 7.820 4.884 1.00 0.00 N ATOM 790 CA VAL A 54 1.112 8.656 3.801 1.00 0.00 C ATOM 791 C VAL A 54 0.658 10.098 4.011 1.00 0.00 C ATOM 792 O VAL A 54 -0.470 10.338 4.446 1.00 0.00 O ATOM 793 CB VAL A 54 0.605 8.138 2.437 1.00 0.00 C ATOM 794 CG1 VAL A 54 1.190 8.944 1.287 1.00 0.00 C ATOM 795 CG2 VAL A 54 0.926 6.656 2.275 1.00 0.00 C ATOM 0 H VAL A 54 -0.229 7.307 4.667 1.00 0.00 H new ATOM 0 HA VAL A 54 2.201 8.618 3.800 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.478 8.263 2.412 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.814 8.554 0.341 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.899 9.989 1.390 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.277 8.867 1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.561 6.308 1.308 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.005 6.509 2.330 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.442 6.090 3.070 1.00 0.00 H new ATOM 805 N THR A 55 1.535 11.045 3.716 1.00 0.00 N ATOM 806 CA THR A 55 1.241 12.454 3.924 1.00 0.00 C ATOM 807 C THR A 55 0.216 12.960 2.910 1.00 0.00 C ATOM 808 O THR A 55 -0.718 13.680 3.263 1.00 0.00 O ATOM 809 CB THR A 55 2.529 13.296 3.826 1.00 0.00 C ATOM 810 OG1 THR A 55 3.527 12.754 4.701 1.00 0.00 O ATOM 811 CG2 THR A 55 2.265 14.748 4.194 1.00 0.00 C ATOM 0 H THR A 55 2.461 10.862 3.330 1.00 0.00 H new ATOM 0 HA THR A 55 0.820 12.559 4.924 1.00 0.00 H new ATOM 0 HB THR A 55 2.881 13.262 2.795 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.345 13.290 4.636 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.191 15.317 4.116 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.523 15.167 3.514 1.00 0.00 H new ATOM 0 HG23 THR A 55 1.891 14.802 5.216 1.00 0.00 H new ATOM 819 N SER A 56 0.391 12.567 1.655 1.00 0.00 N ATOM 820 CA SER A 56 -0.482 13.007 0.580 1.00 0.00 C ATOM 821 C SER A 56 -0.134 12.259 -0.701 1.00 0.00 C ATOM 822 O SER A 56 1.028 11.916 -0.924 1.00 0.00 O ATOM 823 CB SER A 56 -0.337 14.523 0.376 1.00 0.00 C ATOM 824 OG SER A 56 -1.239 15.020 -0.603 1.00 0.00 O ATOM 0 H SER A 56 1.137 11.939 1.357 1.00 0.00 H new ATOM 0 HA SER A 56 -1.518 12.791 0.842 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.513 15.034 1.323 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.685 14.752 0.075 1.00 0.00 H new ATOM 0 HG SER A 56 -0.784 15.075 -1.469 1.00 0.00 H new ATOM 830 N LEU A 57 -1.133 11.997 -1.528 1.00 0.00 N ATOM 831 CA LEU A 57 -0.916 11.309 -2.791 1.00 0.00 C ATOM 832 C LEU A 57 -1.547 12.099 -3.928 1.00 0.00 C ATOM 833 O LEU A 57 -2.771 12.146 -4.074 1.00 0.00 O ATOM 834 CB LEU A 57 -1.479 9.885 -2.744 1.00 0.00 C ATOM 835 CG LEU A 57 -1.276 9.063 -4.023 1.00 0.00 C ATOM 836 CD1 LEU A 57 0.184 9.058 -4.432 1.00 0.00 C ATOM 837 CD2 LEU A 57 -1.770 7.640 -3.826 1.00 0.00 C ATOM 0 H LEU A 57 -2.104 12.251 -1.347 1.00 0.00 H new ATOM 0 HA LEU A 57 0.157 11.237 -2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.015 9.355 -1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.547 9.940 -2.531 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.857 9.527 -4.820 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.305 8.469 -5.341 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.514 10.081 -4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.784 8.621 -3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.618 7.072 -4.744 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.215 7.172 -3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.832 7.654 -3.580 1.00 0.00 H new ATOM 849 N GLU A 58 -0.700 12.723 -4.726 1.00 0.00 N ATOM 850 CA GLU A 58 -1.152 13.624 -5.772 1.00 0.00 C ATOM 851 C GLU A 58 -1.720 12.847 -6.954 1.00 0.00 C ATOM 852 O GLU A 58 -1.493 11.643 -7.090 1.00 0.00 O ATOM 853 CB GLU A 58 0.013 14.503 -6.225 1.00 0.00 C ATOM 854 CG GLU A 58 0.849 15.043 -5.072 1.00 0.00 C ATOM 855 CD GLU A 58 0.053 15.897 -4.103 1.00 0.00 C ATOM 856 OE1 GLU A 58 -0.640 15.339 -3.227 1.00 0.00 O ATOM 857 OE2 GLU A 58 0.127 17.137 -4.205 1.00 0.00 O ATOM 0 H GLU A 58 0.313 12.621 -4.669 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.947 14.253 -5.373 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.655 13.927 -6.891 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.377 15.340 -6.804 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.291 14.207 -4.530 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.672 15.633 -5.474 1.00 0.00 H new ATOM 864 N SER A 59 -2.467 13.537 -7.798 1.00 0.00 N ATOM 865 CA SER A 59 -3.054 12.928 -8.980 1.00 0.00 C ATOM 866 C SER A 59 -1.962 12.477 -9.945 1.00 0.00 C ATOM 867 O SER A 59 -1.018 13.223 -10.216 1.00 0.00 O ATOM 868 CB SER A 59 -3.988 13.924 -9.666 1.00 0.00 C ATOM 869 OG SER A 59 -4.889 14.492 -8.731 1.00 0.00 O ATOM 0 H SER A 59 -2.683 14.528 -7.686 1.00 0.00 H new ATOM 0 HA SER A 59 -3.628 12.053 -8.677 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.403 14.712 -10.139 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.545 13.422 -10.457 1.00 0.00 H new ATOM 0 HG SER A 59 -5.477 15.128 -9.189 1.00 0.00 H new ATOM 875 N GLU A 60 -2.085 11.237 -10.423 1.00 0.00 N ATOM 876 CA GLU A 60 -1.119 10.645 -11.352 1.00 0.00 C ATOM 877 C GLU A 60 0.235 10.427 -10.687 1.00 0.00 C ATOM 878 O GLU A 60 1.216 10.094 -11.350 1.00 0.00 O ATOM 879 CB GLU A 60 -0.949 11.509 -12.606 1.00 0.00 C ATOM 880 CG GLU A 60 -2.215 11.637 -13.428 1.00 0.00 C ATOM 881 CD GLU A 60 -2.845 10.293 -13.706 1.00 0.00 C ATOM 882 OE1 GLU A 60 -2.258 9.503 -14.478 1.00 0.00 O ATOM 883 OE2 GLU A 60 -3.923 10.017 -13.142 1.00 0.00 O ATOM 0 H GLU A 60 -2.856 10.615 -10.178 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.519 9.675 -11.648 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.616 12.504 -12.310 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.163 11.081 -13.228 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.928 12.270 -12.900 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.987 12.133 -14.371 1.00 0.00 H new ATOM 890 N ASN A 61 0.284 10.607 -9.379 1.00 0.00 N ATOM 891 CA ASN A 61 1.516 10.422 -8.636 1.00 0.00 C ATOM 892 C ASN A 61 1.509 9.074 -7.937 1.00 0.00 C ATOM 893 O ASN A 61 0.452 8.563 -7.563 1.00 0.00 O ATOM 894 CB ASN A 61 1.703 11.553 -7.618 1.00 0.00 C ATOM 895 CG ASN A 61 2.939 11.374 -6.757 1.00 0.00 C ATOM 896 OD1 ASN A 61 2.872 10.815 -5.660 1.00 0.00 O ATOM 897 ND2 ASN A 61 4.076 11.842 -7.248 1.00 0.00 N ATOM 0 H ASN A 61 -0.517 10.881 -8.810 1.00 0.00 H new ATOM 0 HA ASN A 61 2.352 10.448 -9.335 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.769 12.504 -8.147 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.824 11.606 -6.976 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.940 11.746 -6.714 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.088 12.298 -8.160 1.00 0.00 H new ATOM 904 N SER A 62 2.684 8.492 -7.787 1.00 0.00 N ATOM 905 CA SER A 62 2.826 7.245 -7.067 1.00 0.00 C ATOM 906 C SER A 62 3.634 7.469 -5.798 1.00 0.00 C ATOM 907 O SER A 62 4.686 8.110 -5.824 1.00 0.00 O ATOM 908 CB SER A 62 3.498 6.193 -7.954 1.00 0.00 C ATOM 909 OG SER A 62 4.714 6.678 -8.502 1.00 0.00 O ATOM 0 H SER A 62 3.557 8.867 -8.157 1.00 0.00 H new ATOM 0 HA SER A 62 1.837 6.879 -6.792 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.694 5.294 -7.370 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.822 5.909 -8.760 1.00 0.00 H new ATOM 0 HG SER A 62 5.120 5.984 -9.062 1.00 0.00 H new ATOM 915 N THR A 63 3.125 6.976 -4.686 1.00 0.00 N ATOM 916 CA THR A 63 3.846 7.051 -3.433 1.00 0.00 C ATOM 917 C THR A 63 4.368 5.674 -3.047 1.00 0.00 C ATOM 918 O THR A 63 3.613 4.697 -3.005 1.00 0.00 O ATOM 919 CB THR A 63 2.966 7.623 -2.303 1.00 0.00 C ATOM 920 OG1 THR A 63 2.633 8.985 -2.599 1.00 0.00 O ATOM 921 CG2 THR A 63 3.679 7.556 -0.959 1.00 0.00 C ATOM 0 H THR A 63 2.215 6.519 -4.626 1.00 0.00 H new ATOM 0 HA THR A 63 4.687 7.730 -3.573 1.00 0.00 H new ATOM 0 HB THR A 63 2.060 7.021 -2.239 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.072 9.348 -1.882 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.033 7.967 -0.183 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.914 6.518 -0.723 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.601 8.135 -1.007 1.00 0.00 H new ATOM 929 N ASN A 64 5.665 5.600 -2.809 1.00 0.00 N ATOM 930 CA ASN A 64 6.291 4.362 -2.389 1.00 0.00 C ATOM 931 C ASN A 64 6.076 4.147 -0.897 1.00 0.00 C ATOM 932 O ASN A 64 6.524 4.935 -0.064 1.00 0.00 O ATOM 933 CB ASN A 64 7.787 4.358 -2.744 1.00 0.00 C ATOM 934 CG ASN A 64 8.549 5.547 -2.186 1.00 0.00 C ATOM 935 OD1 ASN A 64 8.549 6.629 -2.771 1.00 0.00 O ATOM 936 ND2 ASN A 64 9.230 5.350 -1.069 1.00 0.00 N ATOM 0 H ASN A 64 6.307 6.387 -2.900 1.00 0.00 H new ATOM 0 HA ASN A 64 5.825 3.534 -2.924 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.238 3.440 -2.368 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.894 4.345 -3.829 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.779 6.109 -0.665 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.206 4.439 -0.611 1.00 0.00 H new ATOM 943 N VAL A 65 5.334 3.104 -0.574 1.00 0.00 N ATOM 944 CA VAL A 65 5.074 2.751 0.809 1.00 0.00 C ATOM 945 C VAL A 65 6.047 1.676 1.256 1.00 0.00 C ATOM 946 O VAL A 65 5.930 0.517 0.856 1.00 0.00 O ATOM 947 CB VAL A 65 3.631 2.248 0.998 1.00 0.00 C ATOM 948 CG1 VAL A 65 3.313 2.062 2.471 1.00 0.00 C ATOM 949 CG2 VAL A 65 2.646 3.200 0.345 1.00 0.00 C ATOM 0 H VAL A 65 4.898 2.483 -1.256 1.00 0.00 H new ATOM 0 HA VAL A 65 5.206 3.647 1.415 1.00 0.00 H new ATOM 0 HB VAL A 65 3.539 1.277 0.511 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.288 1.706 2.580 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.998 1.332 2.902 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.424 3.014 2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.631 2.829 0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.739 4.187 0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.859 3.269 -0.722 1.00 0.00 H new ATOM 959 N ASP A 66 7.013 2.066 2.063 1.00 0.00 N ATOM 960 CA ASP A 66 8.058 1.154 2.490 1.00 0.00 C ATOM 961 C ASP A 66 7.766 0.627 3.885 1.00 0.00 C ATOM 962 O ASP A 66 7.828 1.367 4.869 1.00 0.00 O ATOM 963 CB ASP A 66 9.424 1.842 2.456 1.00 0.00 C ATOM 964 CG ASP A 66 9.853 2.230 1.054 1.00 0.00 C ATOM 965 OD1 ASP A 66 10.128 1.328 0.233 1.00 0.00 O ATOM 966 OD2 ASP A 66 9.948 3.445 0.773 1.00 0.00 O ATOM 0 H ASP A 66 7.097 3.011 2.438 1.00 0.00 H new ATOM 0 HA ASP A 66 8.080 0.312 1.798 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.392 2.734 3.081 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.171 1.177 2.889 1.00 0.00 H new ATOM 971 N PHE A 67 7.457 -0.658 3.962 1.00 0.00 N ATOM 972 CA PHE A 67 7.089 -1.279 5.225 1.00 0.00 C ATOM 973 C PHE A 67 8.310 -1.863 5.919 1.00 0.00 C ATOM 974 O PHE A 67 9.330 -2.142 5.288 1.00 0.00 O ATOM 975 CB PHE A 67 6.066 -2.396 5.009 1.00 0.00 C ATOM 976 CG PHE A 67 4.754 -1.938 4.444 1.00 0.00 C ATOM 977 CD1 PHE A 67 3.898 -1.144 5.192 1.00 0.00 C ATOM 978 CD2 PHE A 67 4.370 -2.319 3.170 1.00 0.00 C ATOM 979 CE1 PHE A 67 2.682 -0.739 4.675 1.00 0.00 C ATOM 980 CE2 PHE A 67 3.155 -1.920 2.650 1.00 0.00 C ATOM 981 CZ PHE A 67 2.310 -1.129 3.402 1.00 0.00 C ATOM 0 H PHE A 67 7.454 -1.292 3.163 1.00 0.00 H new ATOM 0 HA PHE A 67 6.651 -0.501 5.851 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.496 -3.140 4.339 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.883 -2.893 5.962 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.184 -0.839 6.188 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.028 -2.935 2.576 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.023 -0.119 5.265 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.866 -2.227 1.656 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.360 -0.815 2.996 1.00 0.00 H new ATOM 991 N HIS A 68 8.190 -2.047 7.223 1.00 0.00 N ATOM 992 CA HIS A 68 9.264 -2.620 8.019 1.00 0.00 C ATOM 993 C HIS A 68 8.863 -4.014 8.482 1.00 0.00 C ATOM 994 O HIS A 68 8.282 -4.181 9.552 1.00 0.00 O ATOM 995 CB HIS A 68 9.570 -1.730 9.232 1.00 0.00 C ATOM 996 CG HIS A 68 9.638 -0.264 8.913 1.00 0.00 C ATOM 997 ND1 HIS A 68 10.791 0.375 8.515 1.00 0.00 N ATOM 998 CD2 HIS A 68 8.674 0.688 8.929 1.00 0.00 C ATOM 999 CE1 HIS A 68 10.534 1.652 8.303 1.00 0.00 C ATOM 1000 NE2 HIS A 68 9.257 1.867 8.545 1.00 0.00 N ATOM 0 H HIS A 68 7.354 -1.806 7.756 1.00 0.00 H new ATOM 0 HA HIS A 68 10.163 -2.685 7.406 1.00 0.00 H new ATOM 0 HB2 HIS A 68 8.804 -1.891 9.990 1.00 0.00 H new ATOM 0 HB3 HIS A 68 10.520 -2.041 9.667 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.637 0.544 9.195 1.00 0.00 H new ATOM 0 HE1 HIS A 68 11.250 2.395 7.985 1.00 0.00 H new ATOM 0 HE2 HIS A 68 8.780 2.765 8.460 1.00 0.00 H new ATOM 1009 N TRP A 69 9.156 -5.009 7.662 1.00 0.00 N ATOM 1010 CA TRP A 69 8.735 -6.372 7.946 1.00 0.00 C ATOM 1011 C TRP A 69 9.938 -7.291 8.131 1.00 0.00 C ATOM 1012 O TRP A 69 10.707 -7.526 7.197 1.00 0.00 O ATOM 1013 CB TRP A 69 7.818 -6.888 6.821 1.00 0.00 C ATOM 1014 CG TRP A 69 7.561 -8.366 6.882 1.00 0.00 C ATOM 1015 CD1 TRP A 69 7.414 -9.126 8.006 1.00 0.00 C ATOM 1016 CD2 TRP A 69 7.418 -9.264 5.772 1.00 0.00 C ATOM 1017 NE1 TRP A 69 7.229 -10.443 7.667 1.00 0.00 N ATOM 1018 CE2 TRP A 69 7.217 -10.553 6.303 1.00 0.00 C ATOM 1019 CE3 TRP A 69 7.448 -9.110 4.380 1.00 0.00 C ATOM 1020 CZ2 TRP A 69 7.053 -11.674 5.495 1.00 0.00 C ATOM 1021 CZ3 TRP A 69 7.276 -10.226 3.583 1.00 0.00 C ATOM 1022 CH2 TRP A 69 7.085 -11.493 4.141 1.00 0.00 C ATOM 0 H TRP A 69 9.683 -4.900 6.795 1.00 0.00 H new ATOM 0 HA TRP A 69 8.174 -6.371 8.880 1.00 0.00 H new ATOM 0 HB2 TRP A 69 6.866 -6.360 6.870 1.00 0.00 H new ATOM 0 HB3 TRP A 69 8.268 -6.646 5.858 1.00 0.00 H new ATOM 0 HD1 TRP A 69 7.440 -8.746 9.017 1.00 0.00 H new ATOM 0 HE1 TRP A 69 7.118 -11.215 8.325 1.00 0.00 H new ATOM 0 HE3 TRP A 69 7.603 -8.137 3.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.905 -12.654 5.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 7.289 -10.117 2.509 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.960 -12.345 3.490 1.00 0.00 H new ATOM 1033 N THR A 70 10.105 -7.791 9.347 1.00 0.00 N ATOM 1034 CA THR A 70 11.101 -8.812 9.614 1.00 0.00 C ATOM 1035 C THR A 70 10.551 -10.169 9.184 1.00 0.00 C ATOM 1036 O THR A 70 9.505 -10.612 9.660 1.00 0.00 O ATOM 1037 CB THR A 70 11.529 -8.834 11.103 1.00 0.00 C ATOM 1038 OG1 THR A 70 12.460 -9.899 11.334 1.00 0.00 O ATOM 1039 CG2 THR A 70 10.333 -8.982 12.036 1.00 0.00 C ATOM 0 H THR A 70 9.563 -7.505 10.162 1.00 0.00 H new ATOM 0 HA THR A 70 11.997 -8.580 9.038 1.00 0.00 H new ATOM 0 HB THR A 70 12.005 -7.878 11.320 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.725 -9.903 12.277 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.677 -8.993 13.070 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.651 -8.144 11.889 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.814 -9.915 11.817 1.00 0.00 H new ATOM 1047 N LEU A 71 11.251 -10.807 8.260 1.00 0.00 N ATOM 1048 CA LEU A 71 10.747 -12.003 7.597 1.00 0.00 C ATOM 1049 C LEU A 71 10.598 -13.179 8.548 1.00 0.00 C ATOM 1050 O LEU A 71 9.594 -13.891 8.502 1.00 0.00 O ATOM 1051 CB LEU A 71 11.683 -12.395 6.461 1.00 0.00 C ATOM 1052 CG LEU A 71 11.025 -12.507 5.090 1.00 0.00 C ATOM 1053 CD1 LEU A 71 9.886 -13.514 5.113 1.00 0.00 C ATOM 1054 CD2 LEU A 71 10.544 -11.142 4.632 1.00 0.00 C ATOM 0 H LEU A 71 12.177 -10.515 7.949 1.00 0.00 H new ATOM 0 HA LEU A 71 9.756 -11.761 7.212 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.486 -11.660 6.403 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.144 -13.352 6.705 1.00 0.00 H new ATOM 0 HG LEU A 71 11.765 -12.869 4.376 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.434 -13.575 4.123 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.272 -14.493 5.396 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.135 -13.197 5.836 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.075 -11.231 3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.819 -10.753 5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.392 -10.460 4.568 1.00 0.00 H new ATOM 1066 N ASP A 72 11.619 -13.386 9.376 1.00 0.00 N ATOM 1067 CA ASP A 72 11.705 -14.543 10.277 1.00 0.00 C ATOM 1068 C ASP A 72 12.014 -15.812 9.489 1.00 0.00 C ATOM 1069 O ASP A 72 12.985 -16.514 9.776 1.00 0.00 O ATOM 1070 CB ASP A 72 10.421 -14.732 11.101 1.00 0.00 C ATOM 1071 CG ASP A 72 10.472 -15.975 11.972 1.00 0.00 C ATOM 1072 OD1 ASP A 72 11.043 -15.904 13.082 1.00 0.00 O ATOM 1073 OD2 ASP A 72 9.952 -17.032 11.550 1.00 0.00 O ATOM 0 H ASP A 72 12.417 -12.755 9.445 1.00 0.00 H new ATOM 0 HA ASP A 72 12.518 -14.346 10.976 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.264 -13.856 11.731 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.566 -14.798 10.428 1.00 0.00 H new ATOM 1078 N GLY A 73 11.197 -16.088 8.486 1.00 0.00 N ATOM 1079 CA GLY A 73 11.395 -17.262 7.663 1.00 0.00 C ATOM 1080 C GLY A 73 10.642 -18.460 8.195 1.00 0.00 C ATOM 1081 O GLY A 73 11.218 -19.531 8.391 1.00 0.00 O ATOM 0 H GLY A 73 10.394 -15.515 8.225 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.067 -17.051 6.645 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.459 -17.495 7.614 1.00 0.00 H new ATOM 1085 N THR A 74 9.354 -18.277 8.435 1.00 0.00 N ATOM 1086 CA THR A 74 8.519 -19.340 8.963 1.00 0.00 C ATOM 1087 C THR A 74 8.008 -20.230 7.833 1.00 0.00 C ATOM 1088 O THR A 74 7.941 -21.454 7.966 1.00 0.00 O ATOM 1089 CB THR A 74 7.313 -18.763 9.727 1.00 0.00 C ATOM 1090 OG1 THR A 74 7.677 -17.527 10.357 1.00 0.00 O ATOM 1091 CG2 THR A 74 6.823 -19.744 10.781 1.00 0.00 C ATOM 0 H THR A 74 8.864 -17.398 8.271 1.00 0.00 H new ATOM 0 HA THR A 74 9.129 -19.930 9.647 1.00 0.00 H new ATOM 0 HB THR A 74 6.510 -18.585 9.012 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.377 -17.693 11.022 1.00 0.00 H new ATOM 0 HG21 THR A 74 5.971 -19.316 11.308 1.00 0.00 H new ATOM 0 HG22 THR A 74 6.522 -20.675 10.300 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.625 -19.946 11.491 1.00 0.00 H new ATOM 1099 N ALA A 75 7.670 -19.604 6.714 1.00 0.00 N ATOM 1100 CA ALA A 75 7.114 -20.315 5.573 1.00 0.00 C ATOM 1101 C ALA A 75 7.772 -19.862 4.277 1.00 0.00 C ATOM 1102 O ALA A 75 8.522 -18.885 4.259 1.00 0.00 O ATOM 1103 CB ALA A 75 5.608 -20.108 5.506 1.00 0.00 C ATOM 0 H ALA A 75 7.772 -18.599 6.573 1.00 0.00 H new ATOM 0 HA ALA A 75 7.316 -21.378 5.701 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.205 -20.645 4.648 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.148 -20.485 6.419 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.391 -19.045 5.403 1.00 0.00 H new ATOM 1109 N ASN A 76 7.474 -20.571 3.194 1.00 0.00 N ATOM 1110 CA ASN A 76 8.058 -20.276 1.889 1.00 0.00 C ATOM 1111 C ASN A 76 7.363 -19.097 1.224 1.00 0.00 C ATOM 1112 O ASN A 76 7.863 -18.540 0.247 1.00 0.00 O ATOM 1113 CB ASN A 76 7.973 -21.498 0.964 1.00 0.00 C ATOM 1114 CG ASN A 76 6.547 -21.842 0.550 1.00 0.00 C ATOM 1115 OD1 ASN A 76 5.594 -21.651 1.308 1.00 0.00 O ATOM 1116 ND2 ASN A 76 6.394 -22.346 -0.664 1.00 0.00 N ATOM 0 H ASN A 76 6.827 -21.360 3.194 1.00 0.00 H new ATOM 0 HA ASN A 76 9.104 -20.020 2.056 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.568 -21.311 0.070 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.415 -22.358 1.467 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.463 -22.591 -1.001 1.00 0.00 H new ATOM 0 HD22 ASN A 76 7.207 -22.490 -1.263 1.00 0.00 H new ATOM 1123 N SER A 77 6.198 -18.733 1.731 1.00 0.00 N ATOM 1124 CA SER A 77 5.423 -17.654 1.148 1.00 0.00 C ATOM 1125 C SER A 77 4.504 -17.026 2.188 1.00 0.00 C ATOM 1126 O SER A 77 4.043 -17.700 3.108 1.00 0.00 O ATOM 1127 CB SER A 77 4.606 -18.180 -0.034 1.00 0.00 C ATOM 1128 OG SER A 77 5.446 -18.773 -1.013 1.00 0.00 O ATOM 0 H SER A 77 5.768 -19.170 2.546 1.00 0.00 H new ATOM 0 HA SER A 77 6.109 -16.885 0.793 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.880 -18.913 0.319 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.041 -17.362 -0.482 1.00 0.00 H new ATOM 0 HG SER A 77 4.899 -19.102 -1.757 1.00 0.00 H new ATOM 1134 N TYR A 78 4.267 -15.731 2.046 1.00 0.00 N ATOM 1135 CA TYR A 78 3.380 -15.000 2.946 1.00 0.00 C ATOM 1136 C TYR A 78 2.318 -14.248 2.145 1.00 0.00 C ATOM 1137 O TYR A 78 2.605 -13.719 1.071 1.00 0.00 O ATOM 1138 CB TYR A 78 4.181 -14.005 3.790 1.00 0.00 C ATOM 1139 CG TYR A 78 5.102 -14.635 4.814 1.00 0.00 C ATOM 1140 CD1 TYR A 78 6.270 -15.285 4.433 1.00 0.00 C ATOM 1141 CD2 TYR A 78 4.809 -14.558 6.169 1.00 0.00 C ATOM 1142 CE1 TYR A 78 7.115 -15.842 5.373 1.00 0.00 C ATOM 1143 CE2 TYR A 78 5.648 -15.113 7.113 1.00 0.00 C ATOM 1144 CZ TYR A 78 6.798 -15.754 6.711 1.00 0.00 C ATOM 1145 OH TYR A 78 7.640 -16.301 7.652 1.00 0.00 O ATOM 0 H TYR A 78 4.679 -15.158 1.310 1.00 0.00 H new ATOM 0 HA TYR A 78 2.892 -15.718 3.606 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.776 -13.381 3.123 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.484 -13.345 4.307 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.521 -15.356 3.385 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.909 -14.055 6.489 1.00 0.00 H new ATOM 0 HE1 TYR A 78 8.019 -16.344 5.061 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.404 -15.045 8.163 1.00 0.00 H new ATOM 0 HH TYR A 78 7.157 -16.412 8.498 1.00 0.00 H new ATOM 1155 N THR A 79 1.100 -14.191 2.665 1.00 0.00 N ATOM 1156 CA THR A 79 0.019 -13.501 1.977 1.00 0.00 C ATOM 1157 C THR A 79 -0.041 -12.038 2.411 1.00 0.00 C ATOM 1158 O THR A 79 -0.703 -11.699 3.390 1.00 0.00 O ATOM 1159 CB THR A 79 -1.340 -14.169 2.258 1.00 0.00 C ATOM 1160 OG1 THR A 79 -1.211 -15.596 2.168 1.00 0.00 O ATOM 1161 CG2 THR A 79 -2.394 -13.688 1.273 1.00 0.00 C ATOM 0 H THR A 79 0.837 -14.612 3.556 1.00 0.00 H new ATOM 0 HA THR A 79 0.223 -13.558 0.908 1.00 0.00 H new ATOM 0 HB THR A 79 -1.655 -13.894 3.265 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.788 -15.938 2.983 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.345 -14.174 1.492 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.509 -12.608 1.362 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.084 -13.937 0.258 1.00 0.00 H new ATOM 1169 N LEU A 80 0.662 -11.177 1.693 1.00 0.00 N ATOM 1170 CA LEU A 80 0.731 -9.768 2.055 1.00 0.00 C ATOM 1171 C LEU A 80 -0.358 -8.968 1.358 1.00 0.00 C ATOM 1172 O LEU A 80 -0.388 -8.860 0.136 1.00 0.00 O ATOM 1173 CB LEU A 80 2.107 -9.187 1.724 1.00 0.00 C ATOM 1174 CG LEU A 80 3.163 -9.320 2.824 1.00 0.00 C ATOM 1175 CD1 LEU A 80 3.457 -10.779 3.132 1.00 0.00 C ATOM 1176 CD2 LEU A 80 4.432 -8.597 2.418 1.00 0.00 C ATOM 0 H LEU A 80 1.192 -11.427 0.858 1.00 0.00 H new ATOM 0 HA LEU A 80 0.573 -9.696 3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.481 -9.676 0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.988 -8.130 1.486 1.00 0.00 H new ATOM 0 HG LEU A 80 2.769 -8.862 3.731 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.211 -10.840 3.917 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.544 -11.271 3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.828 -11.273 2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.177 -8.698 3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.819 -9.031 1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.214 -7.541 2.258 1.00 0.00 H new ATOM 1188 N THR A 81 -1.249 -8.410 2.150 1.00 0.00 N ATOM 1189 CA THR A 81 -2.349 -7.628 1.630 1.00 0.00 C ATOM 1190 C THR A 81 -2.206 -6.168 2.041 1.00 0.00 C ATOM 1191 O THR A 81 -2.177 -5.843 3.227 1.00 0.00 O ATOM 1192 CB THR A 81 -3.701 -8.176 2.130 1.00 0.00 C ATOM 1193 OG1 THR A 81 -3.815 -9.566 1.794 1.00 0.00 O ATOM 1194 CG2 THR A 81 -4.864 -7.407 1.515 1.00 0.00 C ATOM 0 H THR A 81 -1.231 -8.485 3.167 1.00 0.00 H new ATOM 0 HA THR A 81 -2.324 -7.699 0.543 1.00 0.00 H new ATOM 0 HB THR A 81 -3.739 -8.053 3.212 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.674 -9.911 2.115 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.805 -7.814 1.885 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.791 -6.355 1.790 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.829 -7.501 0.430 1.00 0.00 H new ATOM 1202 N VAL A 82 -2.093 -5.301 1.052 1.00 0.00 N ATOM 1203 CA VAL A 82 -2.028 -3.873 1.290 1.00 0.00 C ATOM 1204 C VAL A 82 -3.433 -3.298 1.328 1.00 0.00 C ATOM 1205 O VAL A 82 -4.098 -3.210 0.295 1.00 0.00 O ATOM 1206 CB VAL A 82 -1.210 -3.153 0.196 1.00 0.00 C ATOM 1207 CG1 VAL A 82 -1.117 -1.663 0.481 1.00 0.00 C ATOM 1208 CG2 VAL A 82 0.177 -3.764 0.073 1.00 0.00 C ATOM 0 H VAL A 82 -2.044 -5.565 0.068 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.531 -3.714 2.247 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.727 -3.284 -0.754 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.536 -1.178 -0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.119 -1.235 0.508 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.629 -1.506 1.443 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.737 -3.242 -0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.701 -3.670 1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.088 -4.818 -0.190 1.00 0.00 H new ATOM 1218 N ASN A 83 -3.899 -2.943 2.516 1.00 0.00 N ATOM 1219 CA ASN A 83 -5.211 -2.331 2.645 1.00 0.00 C ATOM 1220 C ASN A 83 -5.054 -0.832 2.789 1.00 0.00 C ATOM 1221 O ASN A 83 -4.539 -0.341 3.799 1.00 0.00 O ATOM 1222 CB ASN A 83 -5.988 -2.893 3.839 1.00 0.00 C ATOM 1223 CG ASN A 83 -7.416 -2.374 3.883 1.00 0.00 C ATOM 1224 OD1 ASN A 83 -8.325 -2.972 3.307 1.00 0.00 O ATOM 1225 ND2 ASN A 83 -7.627 -1.259 4.562 1.00 0.00 N ATOM 0 H ASN A 83 -3.395 -3.066 3.394 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.782 -2.562 1.746 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.999 -3.982 3.785 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.476 -2.625 4.763 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -8.567 -0.868 4.621 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.850 -0.790 5.027 1.00 0.00 H new ATOM 1232 N VAL A 84 -5.471 -0.109 1.769 1.00 0.00 N ATOM 1233 CA VAL A 84 -5.360 1.333 1.772 1.00 0.00 C ATOM 1234 C VAL A 84 -6.425 1.958 2.663 1.00 0.00 C ATOM 1235 O VAL A 84 -7.616 1.897 2.365 1.00 0.00 O ATOM 1236 CB VAL A 84 -5.436 1.903 0.344 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -5.477 3.420 0.369 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -4.243 1.414 -0.466 1.00 0.00 C ATOM 0 H VAL A 84 -5.891 -0.500 0.926 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.382 1.589 2.180 1.00 0.00 H new ATOM 0 HB VAL A 84 -6.355 1.552 -0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.531 3.799 -0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -6.354 3.751 0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.576 3.800 0.851 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.299 1.819 -1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.320 1.748 0.008 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.255 0.325 -0.510 1.00 0.00 H new ATOM 1248 N ASP A 85 -5.952 2.511 3.777 1.00 0.00 N ATOM 1249 CA ASP A 85 -6.774 3.198 4.776 1.00 0.00 C ATOM 1250 C ASP A 85 -7.889 2.305 5.312 1.00 0.00 C ATOM 1251 O ASP A 85 -8.964 2.210 4.726 1.00 0.00 O ATOM 1252 CB ASP A 85 -7.345 4.506 4.234 1.00 0.00 C ATOM 1253 CG ASP A 85 -7.536 5.520 5.342 1.00 0.00 C ATOM 1254 OD1 ASP A 85 -8.607 5.519 5.984 1.00 0.00 O ATOM 1255 OD2 ASP A 85 -6.597 6.298 5.604 1.00 0.00 O ATOM 0 H ASP A 85 -4.961 2.495 4.018 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.113 3.438 5.609 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.675 4.913 3.477 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.300 4.314 3.744 1.00 0.00 H new ATOM 1260 N PRO A 86 -7.636 1.641 6.450 1.00 0.00 N ATOM 1261 CA PRO A 86 -8.592 0.711 7.075 1.00 0.00 C ATOM 1262 C PRO A 86 -9.910 1.383 7.454 1.00 0.00 C ATOM 1263 O PRO A 86 -10.948 0.729 7.551 1.00 0.00 O ATOM 1264 CB PRO A 86 -7.859 0.234 8.335 1.00 0.00 C ATOM 1265 CG PRO A 86 -6.418 0.504 8.072 1.00 0.00 C ATOM 1266 CD PRO A 86 -6.385 1.737 7.220 1.00 0.00 C ATOM 0 HA PRO A 86 -8.871 -0.092 6.393 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -8.205 0.770 9.219 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.035 -0.826 8.516 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -5.872 0.657 9.003 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -5.949 -0.337 7.562 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.351 2.644 7.824 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -5.511 1.755 6.569 1.00 0.00 H new ATOM 1274 N GLU A 87 -9.861 2.690 7.663 1.00 0.00 N ATOM 1275 CA GLU A 87 -11.044 3.447 8.042 1.00 0.00 C ATOM 1276 C GLU A 87 -11.737 3.997 6.801 1.00 0.00 C ATOM 1277 O GLU A 87 -12.915 4.362 6.842 1.00 0.00 O ATOM 1278 CB GLU A 87 -10.657 4.610 8.960 1.00 0.00 C ATOM 1279 CG GLU A 87 -9.793 4.210 10.147 1.00 0.00 C ATOM 1280 CD GLU A 87 -10.483 3.244 11.085 1.00 0.00 C ATOM 1281 OE1 GLU A 87 -11.368 3.679 11.850 1.00 0.00 O ATOM 1282 OE2 GLU A 87 -10.132 2.048 11.075 1.00 0.00 O ATOM 0 H GLU A 87 -9.012 3.249 7.576 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.724 2.779 8.571 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.124 5.359 8.374 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.566 5.083 9.330 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.872 3.757 9.782 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.510 5.105 10.701 1.00 0.00 H new ATOM 1289 N ASN A 88 -10.990 4.029 5.699 1.00 0.00 N ATOM 1290 CA ASN A 88 -11.417 4.694 4.471 1.00 0.00 C ATOM 1291 C ASN A 88 -11.819 6.131 4.775 1.00 0.00 C ATOM 1292 O ASN A 88 -12.941 6.556 4.485 1.00 0.00 O ATOM 1293 CB ASN A 88 -12.568 3.948 3.785 1.00 0.00 C ATOM 1294 CG ASN A 88 -12.174 2.564 3.305 1.00 0.00 C ATOM 1295 OD1 ASN A 88 -12.414 1.562 3.986 1.00 0.00 O ATOM 1296 ND2 ASN A 88 -11.553 2.495 2.139 1.00 0.00 N ATOM 0 H ASN A 88 -10.070 3.593 5.633 1.00 0.00 H new ATOM 0 HA ASN A 88 -10.575 4.692 3.779 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.403 3.861 4.480 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -12.919 4.535 2.936 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.254 1.591 1.773 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -11.373 3.346 1.606 1.00 0.00 H new ATOM 1303 N ALA A 89 -10.893 6.862 5.393 1.00 0.00 N ATOM 1304 CA ALA A 89 -11.123 8.247 5.782 1.00 0.00 C ATOM 1305 C ALA A 89 -11.391 9.118 4.564 1.00 0.00 C ATOM 1306 O ALA A 89 -12.258 9.992 4.590 1.00 0.00 O ATOM 1307 CB ALA A 89 -9.928 8.776 6.561 1.00 0.00 C ATOM 0 H ALA A 89 -9.967 6.510 5.636 1.00 0.00 H new ATOM 0 HA ALA A 89 -12.005 8.282 6.421 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.110 9.812 6.847 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.782 8.172 7.457 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -9.035 8.723 5.938 1.00 0.00 H new ATOM 1313 N VAL A 90 -10.652 8.865 3.499 1.00 0.00 N ATOM 1314 CA VAL A 90 -10.828 9.597 2.257 1.00 0.00 C ATOM 1315 C VAL A 90 -11.961 8.976 1.448 1.00 0.00 C ATOM 1316 O VAL A 90 -12.109 7.755 1.416 1.00 0.00 O ATOM 1317 CB VAL A 90 -9.529 9.595 1.417 1.00 0.00 C ATOM 1318 CG1 VAL A 90 -9.679 10.457 0.170 1.00 0.00 C ATOM 1319 CG2 VAL A 90 -8.347 10.065 2.254 1.00 0.00 C ATOM 0 H VAL A 90 -9.921 8.155 3.469 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.074 10.630 2.504 1.00 0.00 H new ATOM 0 HB VAL A 90 -9.340 8.571 1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.750 10.436 -0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.491 10.069 -0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.903 11.483 0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -7.443 10.056 1.645 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.534 11.078 2.611 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.216 9.398 3.106 1.00 0.00 H new ATOM 1329 N ASN A 91 -12.783 9.813 0.835 1.00 0.00 N ATOM 1330 CA ASN A 91 -13.835 9.324 -0.046 1.00 0.00 C ATOM 1331 C ASN A 91 -13.222 8.873 -1.365 1.00 0.00 C ATOM 1332 O ASN A 91 -12.978 9.683 -2.259 1.00 0.00 O ATOM 1333 CB ASN A 91 -14.895 10.403 -0.287 1.00 0.00 C ATOM 1334 CG ASN A 91 -16.091 9.884 -1.065 1.00 0.00 C ATOM 1335 OD1 ASN A 91 -16.442 8.706 -0.980 1.00 0.00 O ATOM 1336 ND2 ASN A 91 -16.732 10.763 -1.818 1.00 0.00 N ATOM 0 H ASN A 91 -12.744 10.828 0.929 1.00 0.00 H new ATOM 0 HA ASN A 91 -14.328 8.477 0.431 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -15.233 10.796 0.672 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -14.445 11.234 -0.831 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -17.549 10.474 -2.356 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -16.409 11.730 -1.861 1.00 0.00 H new ATOM 1343 N GLU A 92 -12.945 7.583 -1.459 1.00 0.00 N ATOM 1344 CA GLU A 92 -12.233 7.024 -2.597 1.00 0.00 C ATOM 1345 C GLU A 92 -13.200 6.508 -3.655 1.00 0.00 C ATOM 1346 O GLU A 92 -14.416 6.559 -3.473 1.00 0.00 O ATOM 1347 CB GLU A 92 -11.343 5.879 -2.127 1.00 0.00 C ATOM 1348 CG GLU A 92 -10.448 6.254 -0.960 1.00 0.00 C ATOM 1349 CD GLU A 92 -9.890 5.041 -0.253 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -10.593 4.485 0.619 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -8.762 4.633 -0.577 1.00 0.00 O ATOM 0 H GLU A 92 -13.206 6.896 -0.752 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.627 7.814 -3.041 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.970 5.036 -1.838 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.723 5.545 -2.959 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -9.626 6.873 -1.320 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.014 6.857 -0.250 1.00 0.00 H new ATOM 1358 N GLY A 93 -12.633 6.031 -4.761 1.00 0.00 N ATOM 1359 CA GLY A 93 -13.412 5.418 -5.826 1.00 0.00 C ATOM 1360 C GLY A 93 -14.227 4.223 -5.356 1.00 0.00 C ATOM 1361 O GLY A 93 -15.313 4.379 -4.789 1.00 0.00 O ATOM 0 H GLY A 93 -11.629 6.059 -4.940 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.083 6.163 -6.252 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.740 5.101 -6.624 1.00 0.00 H new ATOM 1365 N ASN A 94 -13.727 3.028 -5.627 1.00 0.00 N ATOM 1366 CA ASN A 94 -14.417 1.808 -5.228 1.00 0.00 C ATOM 1367 C ASN A 94 -13.562 1.016 -4.242 1.00 0.00 C ATOM 1368 O ASN A 94 -12.340 0.993 -4.349 1.00 0.00 O ATOM 1369 CB ASN A 94 -14.752 0.964 -6.463 1.00 0.00 C ATOM 1370 CG ASN A 94 -15.591 -0.258 -6.131 1.00 0.00 C ATOM 1371 OD1 ASN A 94 -16.316 -0.281 -5.136 1.00 0.00 O ATOM 1372 ND2 ASN A 94 -15.517 -1.270 -6.976 1.00 0.00 N ATOM 0 H ASN A 94 -12.848 2.875 -6.121 1.00 0.00 H new ATOM 0 HA ASN A 94 -15.350 2.074 -4.732 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -15.287 1.581 -7.185 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -13.826 0.644 -6.941 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -16.073 -2.110 -6.816 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -14.904 -1.212 -7.789 1.00 0.00 H new ATOM 1379 N GLU A 95 -14.210 0.358 -3.290 1.00 0.00 N ATOM 1380 CA GLU A 95 -13.500 -0.334 -2.219 1.00 0.00 C ATOM 1381 C GLU A 95 -12.877 -1.638 -2.710 1.00 0.00 C ATOM 1382 O GLU A 95 -12.034 -2.232 -2.036 1.00 0.00 O ATOM 1383 CB GLU A 95 -14.449 -0.613 -1.053 1.00 0.00 C ATOM 1384 CG GLU A 95 -15.109 0.641 -0.502 1.00 0.00 C ATOM 1385 CD GLU A 95 -15.975 0.364 0.707 1.00 0.00 C ATOM 1386 OE1 GLU A 95 -17.102 -0.146 0.538 1.00 0.00 O ATOM 1387 OE2 GLU A 95 -15.538 0.669 1.835 1.00 0.00 O ATOM 0 H GLU A 95 -15.226 0.288 -3.236 1.00 0.00 H new ATOM 0 HA GLU A 95 -12.693 0.316 -1.881 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -15.222 -1.308 -1.381 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -13.896 -1.106 -0.253 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -14.338 1.364 -0.234 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -15.717 1.099 -1.282 1.00 0.00 H new ATOM 1394 N SER A 96 -13.280 -2.070 -3.898 1.00 0.00 N ATOM 1395 CA SER A 96 -12.795 -3.320 -4.467 1.00 0.00 C ATOM 1396 C SER A 96 -11.318 -3.228 -4.867 1.00 0.00 C ATOM 1397 O SER A 96 -10.696 -4.235 -5.208 1.00 0.00 O ATOM 1398 CB SER A 96 -13.645 -3.702 -5.680 1.00 0.00 C ATOM 1399 OG SER A 96 -15.027 -3.701 -5.353 1.00 0.00 O ATOM 0 H SER A 96 -13.945 -1.570 -4.488 1.00 0.00 H new ATOM 0 HA SER A 96 -12.881 -4.091 -3.702 1.00 0.00 H new ATOM 0 HB2 SER A 96 -13.460 -3.001 -6.494 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.353 -4.690 -6.037 1.00 0.00 H new ATOM 0 HG SER A 96 -15.551 -3.946 -6.144 1.00 0.00 H new ATOM 1405 N ASN A 97 -10.756 -2.023 -4.835 1.00 0.00 N ATOM 1406 CA ASN A 97 -9.344 -1.846 -5.156 1.00 0.00 C ATOM 1407 C ASN A 97 -8.567 -1.299 -3.967 1.00 0.00 C ATOM 1408 O ASN A 97 -7.409 -0.924 -4.105 1.00 0.00 O ATOM 1409 CB ASN A 97 -9.148 -0.936 -6.378 1.00 0.00 C ATOM 1410 CG ASN A 97 -9.839 0.408 -6.254 1.00 0.00 C ATOM 1411 OD1 ASN A 97 -10.986 0.560 -6.675 1.00 0.00 O ATOM 1412 ND2 ASN A 97 -9.156 1.392 -5.687 1.00 0.00 N ATOM 0 H ASN A 97 -11.250 -1.164 -4.593 1.00 0.00 H new ATOM 0 HA ASN A 97 -8.952 -2.833 -5.401 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -8.081 -0.773 -6.531 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -9.523 -1.447 -7.265 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -9.579 2.315 -5.587 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -8.207 1.227 -5.351 1.00 0.00 H new ATOM 1419 N ASN A 98 -9.196 -1.274 -2.797 1.00 0.00 N ATOM 1420 CA ASN A 98 -8.519 -0.821 -1.583 1.00 0.00 C ATOM 1421 C ASN A 98 -7.575 -1.893 -1.060 1.00 0.00 C ATOM 1422 O ASN A 98 -6.578 -1.591 -0.404 1.00 0.00 O ATOM 1423 CB ASN A 98 -9.525 -0.447 -0.492 1.00 0.00 C ATOM 1424 CG ASN A 98 -10.064 0.958 -0.655 1.00 0.00 C ATOM 1425 OD1 ASN A 98 -11.048 1.179 -1.355 1.00 0.00 O ATOM 1426 ND2 ASN A 98 -9.432 1.910 0.012 1.00 0.00 N ATOM 0 H ASN A 98 -10.166 -1.559 -2.662 1.00 0.00 H new ATOM 0 HA ASN A 98 -7.943 0.067 -1.844 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -10.354 -1.155 -0.509 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -9.048 -0.538 0.484 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -9.759 2.875 -0.043 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -8.618 1.679 0.582 1.00 0.00 H new ATOM 1433 N THR A 99 -7.896 -3.145 -1.351 1.00 0.00 N ATOM 1434 CA THR A 99 -7.089 -4.265 -0.905 1.00 0.00 C ATOM 1435 C THR A 99 -6.243 -4.836 -2.036 1.00 0.00 C ATOM 1436 O THR A 99 -6.764 -5.227 -3.082 1.00 0.00 O ATOM 1437 CB THR A 99 -7.973 -5.383 -0.328 1.00 0.00 C ATOM 1438 OG1 THR A 99 -9.262 -5.357 -0.956 1.00 0.00 O ATOM 1439 CG2 THR A 99 -8.127 -5.238 1.176 1.00 0.00 C ATOM 0 H THR A 99 -8.716 -3.409 -1.898 1.00 0.00 H new ATOM 0 HA THR A 99 -6.426 -3.885 -0.128 1.00 0.00 H new ATOM 0 HB THR A 99 -7.489 -6.339 -0.529 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.821 -6.072 -0.586 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.757 -6.042 1.556 1.00 0.00 H new ATOM 0 HG22 THR A 99 -7.146 -5.291 1.649 1.00 0.00 H new ATOM 0 HG23 THR A 99 -8.588 -4.277 1.404 1.00 0.00 H new ATOM 1447 N LEU A 100 -4.937 -4.861 -1.825 1.00 0.00 N ATOM 1448 CA LEU A 100 -4.020 -5.505 -2.751 1.00 0.00 C ATOM 1449 C LEU A 100 -3.461 -6.774 -2.127 1.00 0.00 C ATOM 1450 O LEU A 100 -2.556 -6.716 -1.294 1.00 0.00 O ATOM 1451 CB LEU A 100 -2.866 -4.570 -3.122 1.00 0.00 C ATOM 1452 CG LEU A 100 -1.790 -5.195 -4.012 1.00 0.00 C ATOM 1453 CD1 LEU A 100 -2.318 -5.430 -5.419 1.00 0.00 C ATOM 1454 CD2 LEU A 100 -0.549 -4.319 -4.034 1.00 0.00 C ATOM 0 H LEU A 100 -4.485 -4.439 -1.014 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.572 -5.752 -3.658 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.275 -3.697 -3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.397 -4.215 -2.205 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.517 -6.164 -3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.534 -5.875 -6.032 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.174 -6.104 -5.379 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.625 -4.480 -5.856 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.208 -4.776 -4.671 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.806 -3.334 -4.425 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.158 -4.217 -3.022 1.00 0.00 H new ATOM 1466 N THR A 101 -4.016 -7.907 -2.509 1.00 0.00 N ATOM 1467 CA THR A 101 -3.559 -9.182 -1.995 1.00 0.00 C ATOM 1468 C THR A 101 -2.413 -9.718 -2.847 1.00 0.00 C ATOM 1469 O THR A 101 -2.627 -10.298 -3.915 1.00 0.00 O ATOM 1470 CB THR A 101 -4.710 -10.206 -1.947 1.00 0.00 C ATOM 1471 OG1 THR A 101 -5.808 -9.662 -1.200 1.00 0.00 O ATOM 1472 CG2 THR A 101 -4.257 -11.510 -1.304 1.00 0.00 C ATOM 0 H THR A 101 -4.786 -7.970 -3.175 1.00 0.00 H new ATOM 0 HA THR A 101 -3.200 -9.026 -0.978 1.00 0.00 H new ATOM 0 HB THR A 101 -5.023 -10.416 -2.970 1.00 0.00 H new ATOM 0 HG1 THR A 101 -6.539 -10.314 -1.172 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.089 -12.214 -1.283 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.436 -11.935 -1.882 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.921 -11.316 -0.286 1.00 0.00 H new ATOM 1480 N ALA A 102 -1.197 -9.486 -2.385 1.00 0.00 N ATOM 1481 CA ALA A 102 -0.010 -9.945 -3.081 1.00 0.00 C ATOM 1482 C ALA A 102 0.698 -11.007 -2.255 1.00 0.00 C ATOM 1483 O ALA A 102 1.302 -10.713 -1.224 1.00 0.00 O ATOM 1484 CB ALA A 102 0.924 -8.778 -3.372 1.00 0.00 C ATOM 0 H ALA A 102 -1.006 -8.977 -1.522 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.308 -10.385 -4.033 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.809 -9.142 -3.894 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.409 -8.047 -3.995 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.223 -8.309 -2.435 1.00 0.00 H new ATOM 1490 N LEU A 103 0.609 -12.245 -2.697 1.00 0.00 N ATOM 1491 CA LEU A 103 1.223 -13.340 -1.976 1.00 0.00 C ATOM 1492 C LEU A 103 2.690 -13.430 -2.376 1.00 0.00 C ATOM 1493 O LEU A 103 3.018 -13.867 -3.480 1.00 0.00 O ATOM 1494 CB LEU A 103 0.478 -14.651 -2.263 1.00 0.00 C ATOM 1495 CG LEU A 103 0.656 -15.756 -1.216 1.00 0.00 C ATOM 1496 CD1 LEU A 103 -0.395 -16.836 -1.399 1.00 0.00 C ATOM 1497 CD2 LEU A 103 2.042 -16.368 -1.301 1.00 0.00 C ATOM 0 H LEU A 103 0.119 -12.517 -3.549 1.00 0.00 H new ATOM 0 HA LEU A 103 1.162 -13.162 -0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.586 -14.431 -2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.810 -15.033 -3.228 1.00 0.00 H new ATOM 0 HG LEU A 103 0.536 -15.305 -0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -0.254 -17.612 -0.647 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.388 -16.400 -1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.299 -17.272 -2.393 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.142 -17.149 -0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.190 -16.798 -2.291 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.792 -15.597 -1.125 1.00 0.00 H new ATOM 1509 N VAL A 104 3.559 -12.999 -1.478 1.00 0.00 N ATOM 1510 CA VAL A 104 4.981 -12.917 -1.768 1.00 0.00 C ATOM 1511 C VAL A 104 5.677 -14.223 -1.411 1.00 0.00 C ATOM 1512 O VAL A 104 5.315 -14.892 -0.439 1.00 0.00 O ATOM 1513 CB VAL A 104 5.649 -11.742 -1.012 1.00 0.00 C ATOM 1514 CG1 VAL A 104 4.964 -10.429 -1.352 1.00 0.00 C ATOM 1515 CG2 VAL A 104 5.639 -11.960 0.494 1.00 0.00 C ATOM 0 H VAL A 104 3.303 -12.699 -0.537 1.00 0.00 H new ATOM 0 HA VAL A 104 5.085 -12.736 -2.838 1.00 0.00 H new ATOM 0 HB VAL A 104 6.689 -11.698 -1.337 1.00 0.00 H new ATOM 0 HG11 VAL A 104 5.448 -9.616 -0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.039 -10.247 -2.424 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.914 -10.482 -1.065 1.00 0.00 H new ATOM 0 HG21 VAL A 104 6.117 -11.114 0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.610 -12.049 0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 104 6.183 -12.874 0.733 1.00 0.00 H new ATOM 1525 N GLY A 105 6.664 -14.588 -2.209 1.00 0.00 N ATOM 1526 CA GLY A 105 7.393 -15.811 -1.971 1.00 0.00 C ATOM 1527 C GLY A 105 8.778 -15.530 -1.447 1.00 0.00 C ATOM 1528 O GLY A 105 9.149 -14.375 -1.257 1.00 0.00 O ATOM 0 H GLY A 105 6.975 -14.056 -3.022 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.849 -16.428 -1.255 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.461 -16.382 -2.897 1.00 0.00 H new ATOM 1532 N THR A 106 9.545 -16.572 -1.211 1.00 0.00 N ATOM 1533 CA THR A 106 10.901 -16.404 -0.732 1.00 0.00 C ATOM 1534 C THR A 106 11.848 -16.139 -1.895 1.00 0.00 C ATOM 1535 O THR A 106 11.564 -16.520 -3.033 1.00 0.00 O ATOM 1536 CB THR A 106 11.363 -17.631 0.076 1.00 0.00 C ATOM 1537 OG1 THR A 106 11.095 -18.843 -0.648 1.00 0.00 O ATOM 1538 CG2 THR A 106 10.656 -17.668 1.425 1.00 0.00 C ATOM 0 H THR A 106 9.255 -17.541 -1.342 1.00 0.00 H new ATOM 0 HA THR A 106 10.918 -15.541 -0.066 1.00 0.00 H new ATOM 0 HB THR A 106 12.438 -17.551 0.238 1.00 0.00 H new ATOM 0 HG1 THR A 106 11.396 -19.612 -0.121 1.00 0.00 H new ATOM 0 HG21 THR A 106 10.991 -18.540 1.987 1.00 0.00 H new ATOM 0 HG22 THR A 106 10.892 -16.763 1.984 1.00 0.00 H new ATOM 0 HG23 THR A 106 9.579 -17.728 1.270 1.00 0.00 H new ATOM 1546 N LEU A 107 12.947 -15.447 -1.603 1.00 0.00 N ATOM 1547 CA LEU A 107 13.934 -15.079 -2.613 1.00 0.00 C ATOM 1548 C LEU A 107 14.342 -16.292 -3.445 1.00 0.00 C ATOM 1549 O LEU A 107 14.786 -17.307 -2.906 1.00 0.00 O ATOM 1550 CB LEU A 107 15.154 -14.452 -1.933 1.00 0.00 C ATOM 1551 CG LEU A 107 16.126 -13.725 -2.863 1.00 0.00 C ATOM 1552 CD1 LEU A 107 15.406 -12.640 -3.653 1.00 0.00 C ATOM 1553 CD2 LEU A 107 17.269 -13.123 -2.062 1.00 0.00 C ATOM 0 H LEU A 107 13.177 -15.127 -0.662 1.00 0.00 H new ATOM 0 HA LEU A 107 13.490 -14.349 -3.290 1.00 0.00 H new ATOM 0 HB2 LEU A 107 14.805 -13.747 -1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 107 15.699 -15.237 -1.408 1.00 0.00 H new ATOM 0 HG LEU A 107 16.534 -14.449 -3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 107 16.116 -12.135 -4.308 1.00 0.00 H new ATOM 0 HD12 LEU A 107 14.615 -13.091 -4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 107 14.971 -11.916 -2.964 1.00 0.00 H new ATOM 0 HD21 LEU A 107 17.954 -12.608 -2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 107 16.871 -12.413 -1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 107 17.803 -13.916 -1.538 1.00 0.00 H new ATOM 1565 N GLU A 108 14.176 -16.177 -4.758 1.00 0.00 N ATOM 1566 CA GLU A 108 14.429 -17.288 -5.673 1.00 0.00 C ATOM 1567 C GLU A 108 15.905 -17.674 -5.686 1.00 0.00 C ATOM 1568 O GLU A 108 16.249 -18.848 -5.822 1.00 0.00 O ATOM 1569 CB GLU A 108 13.917 -16.972 -7.093 1.00 0.00 C ATOM 1570 CG GLU A 108 13.934 -15.492 -7.493 1.00 0.00 C ATOM 1571 CD GLU A 108 15.328 -14.913 -7.625 1.00 0.00 C ATOM 1572 OE1 GLU A 108 15.898 -14.984 -8.735 1.00 0.00 O ATOM 1573 OE2 GLU A 108 15.863 -14.385 -6.629 1.00 0.00 O ATOM 0 H GLU A 108 13.865 -15.320 -5.216 1.00 0.00 H new ATOM 0 HA GLU A 108 13.870 -18.149 -5.306 1.00 0.00 H new ATOM 0 HB2 GLU A 108 14.521 -17.530 -7.809 1.00 0.00 H new ATOM 0 HB3 GLU A 108 12.895 -17.341 -7.181 1.00 0.00 H new ATOM 0 HG2 GLU A 108 13.410 -15.375 -8.442 1.00 0.00 H new ATOM 0 HG3 GLU A 108 13.380 -14.918 -6.750 1.00 0.00 H new ATOM 1580 N HIS A 109 16.767 -16.686 -5.548 1.00 0.00 N ATOM 1581 CA HIS A 109 18.191 -16.925 -5.387 1.00 0.00 C ATOM 1582 C HIS A 109 18.670 -16.210 -4.139 1.00 0.00 C ATOM 1583 O HIS A 109 18.743 -14.983 -4.122 1.00 0.00 O ATOM 1584 CB HIS A 109 18.975 -16.441 -6.612 1.00 0.00 C ATOM 1585 CG HIS A 109 18.696 -17.222 -7.862 1.00 0.00 C ATOM 1586 ND1 HIS A 109 17.725 -16.868 -8.773 1.00 0.00 N ATOM 1587 CD2 HIS A 109 19.283 -18.335 -8.361 1.00 0.00 C ATOM 1588 CE1 HIS A 109 17.728 -17.726 -9.773 1.00 0.00 C ATOM 1589 NE2 HIS A 109 18.663 -18.626 -9.548 1.00 0.00 N ATOM 0 H HIS A 109 16.504 -15.700 -5.544 1.00 0.00 H new ATOM 0 HA HIS A 109 18.363 -17.997 -5.289 1.00 0.00 H new ATOM 0 HB2 HIS A 109 18.739 -15.392 -6.791 1.00 0.00 H new ATOM 0 HB3 HIS A 109 20.041 -16.495 -6.393 1.00 0.00 H new ATOM 0 HD1 HIS A 109 17.101 -16.066 -8.687 1.00 0.00 H new ATOM 0 HD2 HIS A 109 20.090 -18.891 -7.908 1.00 0.00 H new ATOM 0 HE1 HIS A 109 17.074 -17.696 -10.632 1.00 0.00 H new ATOM 1598 N HIS A 110 18.984 -16.985 -3.103 1.00 0.00 N ATOM 1599 CA HIS A 110 19.334 -16.444 -1.788 1.00 0.00 C ATOM 1600 C HIS A 110 20.454 -15.415 -1.898 1.00 0.00 C ATOM 1601 O HIS A 110 20.519 -14.463 -1.120 1.00 0.00 O ATOM 1602 CB HIS A 110 19.747 -17.577 -0.846 1.00 0.00 C ATOM 1603 CG HIS A 110 19.842 -17.166 0.591 1.00 0.00 C ATOM 1604 ND1 HIS A 110 21.021 -17.183 1.302 1.00 0.00 N ATOM 1605 CD2 HIS A 110 18.892 -16.740 1.455 1.00 0.00 C ATOM 1606 CE1 HIS A 110 20.792 -16.786 2.538 1.00 0.00 C ATOM 1607 NE2 HIS A 110 19.509 -16.510 2.656 1.00 0.00 N ATOM 0 H HIS A 110 19.003 -18.004 -3.149 1.00 0.00 H new ATOM 0 HA HIS A 110 18.455 -15.944 -1.381 1.00 0.00 H new ATOM 0 HB2 HIS A 110 19.027 -18.391 -0.934 1.00 0.00 H new ATOM 0 HB3 HIS A 110 20.712 -17.969 -1.166 1.00 0.00 H new ATOM 0 HD2 HIS A 110 17.843 -16.606 1.238 1.00 0.00 H new ATOM 0 HE1 HIS A 110 21.531 -16.701 3.321 1.00 0.00 H new ATOM 0 HE2 HIS A 110 19.050 -16.179 3.504 1.00 0.00 H new ATOM 1616 N HIS A 111 21.336 -15.623 -2.859 1.00 0.00 N ATOM 1617 CA HIS A 111 22.339 -14.636 -3.206 1.00 0.00 C ATOM 1618 C HIS A 111 22.478 -14.547 -4.713 1.00 0.00 C ATOM 1619 O HIS A 111 22.813 -15.529 -5.377 1.00 0.00 O ATOM 1620 CB HIS A 111 23.689 -14.951 -2.558 1.00 0.00 C ATOM 1621 CG HIS A 111 23.889 -14.239 -1.258 1.00 0.00 C ATOM 1622 ND1 HIS A 111 24.670 -14.729 -0.234 1.00 0.00 N ATOM 1623 CD2 HIS A 111 23.414 -13.049 -0.826 1.00 0.00 C ATOM 1624 CE1 HIS A 111 24.662 -13.871 0.768 1.00 0.00 C ATOM 1625 NE2 HIS A 111 23.908 -12.842 0.435 1.00 0.00 N ATOM 0 H HIS A 111 21.376 -16.476 -3.417 1.00 0.00 H new ATOM 0 HA HIS A 111 22.011 -13.671 -2.820 1.00 0.00 H new ATOM 0 HB2 HIS A 111 23.766 -16.026 -2.394 1.00 0.00 H new ATOM 0 HB3 HIS A 111 24.489 -14.675 -3.245 1.00 0.00 H new ATOM 0 HD2 HIS A 111 22.764 -12.383 -1.375 1.00 0.00 H new ATOM 0 HE1 HIS A 111 25.186 -13.991 1.705 1.00 0.00 H new ATOM 0 HE2 HIS A 111 23.723 -12.027 1.019 1.00 0.00 H new ATOM 1634 N HIS A 112 22.197 -13.371 -5.248 1.00 0.00 N ATOM 1635 CA HIS A 112 22.280 -13.143 -6.678 1.00 0.00 C ATOM 1636 C HIS A 112 23.733 -13.004 -7.094 1.00 0.00 C ATOM 1637 O HIS A 112 24.426 -12.077 -6.673 1.00 0.00 O ATOM 1638 CB HIS A 112 21.486 -11.894 -7.079 1.00 0.00 C ATOM 1639 CG HIS A 112 20.007 -12.121 -7.175 1.00 0.00 C ATOM 1640 ND1 HIS A 112 19.268 -11.785 -8.286 1.00 0.00 N ATOM 1641 CD2 HIS A 112 19.128 -12.659 -6.295 1.00 0.00 C ATOM 1642 CE1 HIS A 112 18.005 -12.104 -8.089 1.00 0.00 C ATOM 1643 NE2 HIS A 112 17.889 -12.639 -6.889 1.00 0.00 N ATOM 0 H HIS A 112 21.908 -12.555 -4.708 1.00 0.00 H new ATOM 0 HA HIS A 112 21.843 -13.999 -7.193 1.00 0.00 H new ATOM 0 HB2 HIS A 112 21.676 -11.105 -6.351 1.00 0.00 H new ATOM 0 HB3 HIS A 112 21.852 -11.536 -8.041 1.00 0.00 H new ATOM 0 HD2 HIS A 112 19.359 -13.034 -5.309 1.00 0.00 H new ATOM 0 HE1 HIS A 112 17.199 -11.953 -8.792 1.00 0.00 H new ATOM 0 HE2 HIS A 112 17.024 -12.981 -6.471 1.00 0.00 H new ATOM 1652 N HIS A 113 24.190 -13.935 -7.915 1.00 0.00 N ATOM 1653 CA HIS A 113 25.574 -13.948 -8.365 1.00 0.00 C ATOM 1654 C HIS A 113 25.762 -12.953 -9.497 1.00 0.00 C ATOM 1655 O HIS A 113 26.885 -12.637 -9.892 1.00 0.00 O ATOM 1656 CB HIS A 113 25.978 -15.356 -8.807 1.00 0.00 C ATOM 1657 CG HIS A 113 25.994 -16.342 -7.681 1.00 0.00 C ATOM 1658 ND1 HIS A 113 24.967 -17.227 -7.435 1.00 0.00 N ATOM 1659 CD2 HIS A 113 26.923 -16.576 -6.724 1.00 0.00 C ATOM 1660 CE1 HIS A 113 25.262 -17.958 -6.378 1.00 0.00 C ATOM 1661 NE2 HIS A 113 26.443 -17.584 -5.928 1.00 0.00 N ATOM 0 H HIS A 113 23.620 -14.696 -8.286 1.00 0.00 H new ATOM 0 HA HIS A 113 26.218 -13.655 -7.536 1.00 0.00 H new ATOM 0 HB2 HIS A 113 25.286 -15.702 -9.575 1.00 0.00 H new ATOM 0 HB3 HIS A 113 26.967 -15.318 -9.263 1.00 0.00 H new ATOM 0 HD2 HIS A 113 27.867 -16.064 -6.609 1.00 0.00 H new ATOM 0 HE1 HIS A 113 24.641 -18.732 -5.953 1.00 0.00 H new ATOM 0 HE2 HIS A 113 26.922 -17.980 -5.119 1.00 0.00 H new ATOM 1670 N HIS A 114 24.645 -12.469 -10.017 1.00 0.00 N ATOM 1671 CA HIS A 114 24.653 -11.392 -10.985 1.00 0.00 C ATOM 1672 C HIS A 114 24.032 -10.154 -10.352 1.00 0.00 C ATOM 1673 O HIS A 114 24.767 -9.393 -9.693 1.00 0.00 O ATOM 1674 CB HIS A 114 23.884 -11.796 -12.247 1.00 0.00 C ATOM 1675 CG HIS A 114 23.897 -10.761 -13.336 1.00 0.00 C ATOM 1676 ND1 HIS A 114 24.892 -10.680 -14.283 1.00 0.00 N ATOM 1677 CD2 HIS A 114 23.016 -9.774 -13.636 1.00 0.00 C ATOM 1678 CE1 HIS A 114 24.624 -9.692 -15.116 1.00 0.00 C ATOM 1679 NE2 HIS A 114 23.492 -9.126 -14.747 1.00 0.00 N ATOM 1680 OXT HIS A 114 22.808 -9.968 -10.487 1.00 0.00 O ATOM 0 H HIS A 114 23.714 -12.812 -9.779 1.00 0.00 H new ATOM 0 HA HIS A 114 25.680 -11.174 -11.277 1.00 0.00 H new ATOM 0 HB2 HIS A 114 24.308 -12.722 -12.636 1.00 0.00 H new ATOM 0 HB3 HIS A 114 22.850 -12.009 -11.976 1.00 0.00 H new ATOM 0 HD2 HIS A 114 22.108 -9.542 -13.099 1.00 0.00 H new ATOM 0 HE1 HIS A 114 25.231 -9.397 -15.959 1.00 0.00 H new ATOM 0 HE2 HIS A 114 23.044 -8.336 -15.211 1.00 0.00 H new TER 1689 HIS A 114