USER MOD reduce.3.24.130724 H: found=0, std=0, add=1002, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 996 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 94 ASN : amide:sc= -0.538 X(o=0.15,f=0.35) USER MOD Set 1.2: A 113 SER OG : rot 69:sc= 0.684 USER MOD Set 2.1: A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.0586 X(o=-0.059,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS :FLIP no HE2:sc= 0.0662 F(o=-0.87,f=0.066) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0866 K(o=-0.087,f=-5.3!) USER MOD Single : A 21 SER OG : rot -170:sc= -1.51 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.397 K(o=-0.4,f=-2.3!) USER MOD Single : A 35 LYS NZ :NH3+ -132:sc= -0.211 (180deg=-2.06) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 175:sc= -0.514 (180deg=-0.533) USER MOD Single : A 60 THR OG1 : rot -96:sc= 1.09 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 160:sc= -1.89 USER MOD Single : A 70 THR OG1 : rot -72:sc= -0.658 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot -96:sc= 0.342 USER MOD Single : A 80 THR OG1 : rot -72:sc= 0.115 USER MOD Single : A 83 HIS :FLIP no HD1:sc= -0.981 F(o=-2.6!,f=-0.98) USER MOD Single : A 99 GLN : amide:sc= -0.592 X(o=-0.59,f=-0.69) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.463 X(o=-0.46,f=-0.027) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -45.971 -3.831 -10.777 1.00 0.00 N ATOM 2 CA GLY A 1 -44.685 -3.398 -10.257 1.00 0.00 C ATOM 3 C GLY A 1 -43.723 -3.049 -11.394 1.00 0.00 C ATOM 4 O GLY A 1 -43.860 -2.004 -12.029 1.00 0.00 O ATOM 0 H1 GLY A 1 -46.605 -4.062 -9.986 1.00 0.00 H new ATOM 0 H2 GLY A 1 -46.390 -3.068 -11.346 1.00 0.00 H new ATOM 0 H3 GLY A 1 -45.839 -4.674 -11.372 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -44.823 -2.529 -9.613 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -44.254 -4.187 -9.640 1.00 0.00 H new ATOM 8 N SER A 2 -42.771 -3.943 -11.616 1.00 0.00 N ATOM 9 CA SER A 2 -41.786 -3.742 -12.666 1.00 0.00 C ATOM 10 C SER A 2 -40.762 -2.693 -12.229 1.00 0.00 C ATOM 11 O SER A 2 -39.568 -2.979 -12.155 1.00 0.00 O ATOM 12 CB SER A 2 -42.455 -3.318 -13.975 1.00 0.00 C ATOM 13 OG SER A 2 -41.860 -3.948 -15.107 1.00 0.00 O ATOM 0 H SER A 2 -42.660 -4.808 -11.087 1.00 0.00 H new ATOM 0 HA SER A 2 -41.275 -4.689 -12.841 1.00 0.00 H new ATOM 0 HB2 SER A 2 -43.516 -3.567 -13.937 1.00 0.00 H new ATOM 0 HB3 SER A 2 -42.385 -2.236 -14.084 1.00 0.00 H new ATOM 0 HG SER A 2 -42.316 -3.653 -15.923 1.00 0.00 H new ATOM 19 N SER A 3 -41.267 -1.500 -11.951 1.00 0.00 N ATOM 20 CA SER A 3 -40.411 -0.406 -11.524 1.00 0.00 C ATOM 21 C SER A 3 -39.468 -0.005 -12.660 1.00 0.00 C ATOM 22 O SER A 3 -39.353 -0.716 -13.657 1.00 0.00 O ATOM 23 CB SER A 3 -39.608 -0.789 -10.279 1.00 0.00 C ATOM 24 OG SER A 3 -39.392 0.327 -9.419 1.00 0.00 O ATOM 0 H SER A 3 -42.258 -1.267 -12.013 1.00 0.00 H new ATOM 0 HA SER A 3 -41.044 0.444 -11.269 1.00 0.00 H new ATOM 0 HB2 SER A 3 -40.136 -1.571 -9.733 1.00 0.00 H new ATOM 0 HB3 SER A 3 -38.647 -1.205 -10.581 1.00 0.00 H new ATOM 0 HG SER A 3 -38.878 0.041 -8.635 1.00 0.00 H new ATOM 30 N GLY A 4 -38.817 1.134 -12.472 1.00 0.00 N ATOM 31 CA GLY A 4 -37.888 1.638 -13.469 1.00 0.00 C ATOM 32 C GLY A 4 -37.708 3.152 -13.334 1.00 0.00 C ATOM 33 O GLY A 4 -38.668 3.909 -13.465 1.00 0.00 O ATOM 0 H GLY A 4 -38.915 1.722 -11.644 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -36.924 1.142 -13.357 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -38.255 1.399 -14.467 1.00 0.00 H new ATOM 37 N SER A 5 -36.470 3.547 -13.074 1.00 0.00 N ATOM 38 CA SER A 5 -36.152 4.957 -12.920 1.00 0.00 C ATOM 39 C SER A 5 -34.635 5.146 -12.849 1.00 0.00 C ATOM 40 O SER A 5 -33.962 4.499 -12.048 1.00 0.00 O ATOM 41 CB SER A 5 -36.818 5.539 -11.671 1.00 0.00 C ATOM 42 OG SER A 5 -36.805 6.963 -11.674 1.00 0.00 O ATOM 0 H SER A 5 -35.676 2.916 -12.966 1.00 0.00 H new ATOM 0 HA SER A 5 -36.539 5.492 -13.788 1.00 0.00 H new ATOM 0 HB2 SER A 5 -37.848 5.186 -11.611 1.00 0.00 H new ATOM 0 HB3 SER A 5 -36.304 5.174 -10.782 1.00 0.00 H new ATOM 0 HG SER A 5 -37.241 7.296 -10.862 1.00 0.00 H new ATOM 48 N SER A 6 -34.142 6.035 -13.699 1.00 0.00 N ATOM 49 CA SER A 6 -32.717 6.318 -13.743 1.00 0.00 C ATOM 50 C SER A 6 -32.257 6.898 -12.404 1.00 0.00 C ATOM 51 O SER A 6 -32.709 7.967 -11.999 1.00 0.00 O ATOM 52 CB SER A 6 -32.382 7.282 -14.882 1.00 0.00 C ATOM 53 OG SER A 6 -31.863 6.601 -16.022 1.00 0.00 O ATOM 0 H SER A 6 -34.704 6.569 -14.362 1.00 0.00 H new ATOM 0 HA SER A 6 -32.188 5.383 -13.927 1.00 0.00 H new ATOM 0 HB2 SER A 6 -33.278 7.833 -15.166 1.00 0.00 H new ATOM 0 HB3 SER A 6 -31.654 8.015 -14.535 1.00 0.00 H new ATOM 0 HG SER A 6 -31.663 7.251 -16.728 1.00 0.00 H new ATOM 59 N GLY A 7 -31.363 6.166 -11.754 1.00 0.00 N ATOM 60 CA GLY A 7 -30.837 6.595 -10.470 1.00 0.00 C ATOM 61 C GLY A 7 -29.387 7.065 -10.600 1.00 0.00 C ATOM 62 O GLY A 7 -29.127 8.261 -10.719 1.00 0.00 O ATOM 0 H GLY A 7 -30.990 5.279 -12.093 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -31.451 7.404 -10.074 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -30.894 5.773 -9.757 1.00 0.00 H new ATOM 66 N HIS A 8 -28.481 6.099 -10.574 1.00 0.00 N ATOM 67 CA HIS A 8 -27.064 6.399 -10.689 1.00 0.00 C ATOM 68 C HIS A 8 -26.618 6.225 -12.142 1.00 0.00 C ATOM 69 O HIS A 8 -27.365 5.700 -12.966 1.00 0.00 O ATOM 70 CB HIS A 8 -26.248 5.548 -9.713 1.00 0.00 C ATOM 71 CG HIS A 8 -26.294 6.037 -8.285 1.00 0.00 C ATOM 72 ND1 HIS A 8 -26.442 5.185 -7.205 1.00 0.00 N ATOM 73 CD2 HIS A 8 -26.210 7.298 -7.771 1.00 0.00 C ATOM 74 CE1 HIS A 8 -26.446 5.911 -6.096 1.00 0.00 C ATOM 75 NE2 HIS A 8 -26.303 7.220 -6.450 1.00 0.00 N ATOM 0 H HIS A 8 -28.701 5.108 -10.475 1.00 0.00 H new ATOM 0 HA HIS A 8 -26.885 7.438 -10.413 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -26.615 4.522 -9.747 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -25.210 5.527 -10.046 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -26.088 8.206 -8.343 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -26.545 5.532 -5.089 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -26.273 8.010 -5.805 1.00 0.00 H new ATOM 83 N SER A 9 -25.402 6.677 -12.412 1.00 0.00 N ATOM 84 CA SER A 9 -24.848 6.579 -13.752 1.00 0.00 C ATOM 85 C SER A 9 -25.173 5.210 -14.353 1.00 0.00 C ATOM 86 O SER A 9 -25.825 5.124 -15.393 1.00 0.00 O ATOM 87 CB SER A 9 -23.335 6.807 -13.740 1.00 0.00 C ATOM 88 OG SER A 9 -22.981 8.069 -14.301 1.00 0.00 O ATOM 0 H SER A 9 -24.785 7.112 -11.726 1.00 0.00 H new ATOM 0 HA SER A 9 -25.301 7.356 -14.367 1.00 0.00 H new ATOM 0 HB2 SER A 9 -22.968 6.750 -12.715 1.00 0.00 H new ATOM 0 HB3 SER A 9 -22.844 6.011 -14.299 1.00 0.00 H new ATOM 0 HG SER A 9 -22.007 8.178 -14.274 1.00 0.00 H new ATOM 94 N HIS A 10 -24.703 4.174 -13.674 1.00 0.00 N ATOM 95 CA HIS A 10 -24.936 2.813 -14.128 1.00 0.00 C ATOM 96 C HIS A 10 -24.148 2.560 -15.415 1.00 0.00 C ATOM 97 O HIS A 10 -24.302 3.288 -16.395 1.00 0.00 O ATOM 98 CB HIS A 10 -26.433 2.542 -14.287 1.00 0.00 C ATOM 99 CG HIS A 10 -26.841 1.128 -13.947 1.00 0.00 C ATOM 100 ND1 HIS A 10 -27.909 0.834 -13.118 1.00 0.00 N ATOM 101 CD2 HIS A 10 -26.313 -0.068 -14.334 1.00 0.00 C ATOM 102 CE1 HIS A 10 -28.010 -0.483 -13.017 1.00 0.00 C ATOM 103 NE2 HIS A 10 -27.020 -1.040 -13.770 1.00 0.00 N ATOM 0 H HIS A 10 -24.162 4.249 -12.813 1.00 0.00 H new ATOM 0 HA HIS A 10 -24.576 2.109 -13.378 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -26.986 3.232 -13.650 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -26.723 2.756 -15.316 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -25.464 -0.202 -14.988 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -28.747 -1.021 -12.439 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -26.850 -2.040 -13.882 1.00 0.00 H new ATOM 111 N SER A 11 -23.322 1.526 -15.371 1.00 0.00 N ATOM 112 CA SER A 11 -22.510 1.167 -16.522 1.00 0.00 C ATOM 113 C SER A 11 -21.501 2.279 -16.816 1.00 0.00 C ATOM 114 O SER A 11 -21.538 3.338 -16.191 1.00 0.00 O ATOM 115 CB SER A 11 -23.382 0.902 -17.751 1.00 0.00 C ATOM 116 OG SER A 11 -24.444 -0.003 -17.466 1.00 0.00 O ATOM 0 H SER A 11 -23.197 0.925 -14.557 1.00 0.00 H new ATOM 0 HA SER A 11 -21.972 0.248 -16.288 1.00 0.00 H new ATOM 0 HB2 SER A 11 -23.795 1.844 -18.112 1.00 0.00 H new ATOM 0 HB3 SER A 11 -22.765 0.496 -18.553 1.00 0.00 H new ATOM 0 HG SER A 11 -24.979 -0.145 -18.275 1.00 0.00 H new ATOM 122 N ASP A 12 -20.623 2.000 -17.769 1.00 0.00 N ATOM 123 CA ASP A 12 -19.606 2.964 -18.155 1.00 0.00 C ATOM 124 C ASP A 12 -18.705 3.256 -16.953 1.00 0.00 C ATOM 125 O ASP A 12 -18.801 4.322 -16.346 1.00 0.00 O ATOM 126 CB ASP A 12 -20.238 4.282 -18.604 1.00 0.00 C ATOM 127 CG ASP A 12 -19.379 5.122 -19.551 1.00 0.00 C ATOM 128 OD1 ASP A 12 -18.857 4.529 -20.520 1.00 0.00 O ATOM 129 OD2 ASP A 12 -19.263 6.338 -19.285 1.00 0.00 O ATOM 0 H ASP A 12 -20.595 1.121 -18.285 1.00 0.00 H new ATOM 0 HA ASP A 12 -19.035 2.539 -18.980 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -21.186 4.064 -19.095 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -20.466 4.878 -17.720 1.00 0.00 H new ATOM 134 N LYS A 13 -17.851 2.292 -16.645 1.00 0.00 N ATOM 135 CA LYS A 13 -16.935 2.432 -15.526 1.00 0.00 C ATOM 136 C LYS A 13 -15.669 1.619 -15.804 1.00 0.00 C ATOM 137 O LYS A 13 -15.748 0.459 -16.206 1.00 0.00 O ATOM 138 CB LYS A 13 -17.629 2.061 -14.214 1.00 0.00 C ATOM 139 CG LYS A 13 -18.421 3.247 -13.658 1.00 0.00 C ATOM 140 CD LYS A 13 -18.083 3.490 -12.186 1.00 0.00 C ATOM 141 CE LYS A 13 -19.020 2.700 -11.271 1.00 0.00 C ATOM 142 NZ LYS A 13 -19.426 3.523 -10.110 1.00 0.00 N ATOM 0 H LYS A 13 -17.774 1.410 -17.151 1.00 0.00 H new ATOM 0 HA LYS A 13 -16.628 3.472 -15.413 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -18.299 1.217 -14.379 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.886 1.741 -13.483 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -18.198 4.142 -14.239 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -19.489 3.057 -13.763 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.050 3.199 -11.993 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -18.162 4.554 -11.962 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -19.903 2.386 -11.828 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -18.522 1.794 -10.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -20.062 2.972 -9.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -18.582 3.801 -9.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -19.920 4.375 -10.444 1.00 0.00 H new ATOM 156 N HIS A 14 -14.531 2.259 -15.578 1.00 0.00 N ATOM 157 CA HIS A 14 -13.251 1.608 -15.799 1.00 0.00 C ATOM 158 C HIS A 14 -12.452 1.591 -14.495 1.00 0.00 C ATOM 159 O HIS A 14 -12.166 2.642 -13.923 1.00 0.00 O ATOM 160 CB HIS A 14 -12.493 2.276 -16.949 1.00 0.00 C ATOM 161 CG HIS A 14 -12.677 3.774 -17.017 1.00 0.00 C ATOM 162 ND1 HIS A 14 -12.581 4.729 -16.048 1.00 0.00 N flip ATOM 163 CD2 HIS A 14 -13.000 4.437 -18.189 1.00 0.00 C flip ATOM 164 CE1 HIS A 14 -12.830 5.911 -16.598 1.00 0.00 C flip ATOM 165 NE2 HIS A 14 -13.091 5.732 -17.925 1.00 0.00 N flip ATOM 0 H HIS A 14 -14.469 3.221 -15.244 1.00 0.00 H new ATOM 0 HA HIS A 14 -13.413 0.573 -16.099 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -11.431 2.055 -16.847 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -12.821 1.837 -17.891 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -12.356 4.563 -15.067 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -13.152 3.977 -19.154 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -12.827 6.859 -16.080 1.00 0.00 H new ATOM 173 N PRO A 15 -12.106 0.353 -14.050 1.00 0.00 N ATOM 174 CA PRO A 15 -11.346 0.185 -12.823 1.00 0.00 C ATOM 175 C PRO A 15 -9.877 0.559 -13.032 1.00 0.00 C ATOM 176 O PRO A 15 -9.259 1.173 -12.163 1.00 0.00 O ATOM 177 CB PRO A 15 -11.538 -1.273 -12.438 1.00 0.00 C ATOM 178 CG PRO A 15 -12.010 -1.978 -13.699 1.00 0.00 C ATOM 179 CD PRO A 15 -12.427 -0.914 -14.700 1.00 0.00 C ATOM 0 HA PRO A 15 -11.687 0.843 -12.024 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.607 -1.707 -12.073 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -12.271 -1.372 -11.637 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -11.213 -2.598 -14.111 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -12.846 -2.640 -13.476 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -11.889 -1.023 -15.641 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -13.490 -0.982 -14.931 1.00 0.00 H new ATOM 187 N VAL A 16 -9.360 0.172 -14.189 1.00 0.00 N ATOM 188 CA VAL A 16 -7.975 0.460 -14.523 1.00 0.00 C ATOM 189 C VAL A 16 -7.929 1.570 -15.574 1.00 0.00 C ATOM 190 O VAL A 16 -8.662 1.528 -16.561 1.00 0.00 O ATOM 191 CB VAL A 16 -7.270 -0.821 -14.975 1.00 0.00 C ATOM 192 CG1 VAL A 16 -5.765 -0.592 -15.131 1.00 0.00 C ATOM 193 CG2 VAL A 16 -7.552 -1.972 -14.008 1.00 0.00 C ATOM 0 H VAL A 16 -9.875 -0.338 -14.907 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.437 0.820 -13.646 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.670 -1.098 -15.951 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.288 -1.518 -15.453 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.590 0.184 -15.876 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.344 -0.280 -14.176 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.039 -2.870 -14.352 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.193 -1.708 -13.013 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.625 -2.159 -13.968 1.00 0.00 H new ATOM 203 N THR A 17 -7.059 2.539 -15.327 1.00 0.00 N ATOM 204 CA THR A 17 -6.907 3.659 -16.240 1.00 0.00 C ATOM 205 C THR A 17 -5.451 4.128 -16.271 1.00 0.00 C ATOM 206 O THR A 17 -4.885 4.476 -15.235 1.00 0.00 O ATOM 207 CB THR A 17 -7.889 4.752 -15.815 1.00 0.00 C ATOM 208 OG1 THR A 17 -8.086 4.519 -14.423 1.00 0.00 O ATOM 209 CG2 THR A 17 -9.279 4.560 -16.426 1.00 0.00 C ATOM 0 H THR A 17 -6.452 2.571 -14.508 1.00 0.00 H new ATOM 0 HA THR A 17 -7.144 3.370 -17.264 1.00 0.00 H new ATOM 0 HB THR A 17 -7.496 5.726 -16.106 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.709 5.185 -14.065 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.937 5.362 -16.092 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.204 4.580 -17.513 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.687 3.600 -16.108 1.00 0.00 H new ATOM 217 N TRP A 18 -4.886 4.123 -17.469 1.00 0.00 N ATOM 218 CA TRP A 18 -3.507 4.544 -17.648 1.00 0.00 C ATOM 219 C TRP A 18 -3.512 5.864 -18.422 1.00 0.00 C ATOM 220 O TRP A 18 -3.822 5.889 -19.612 1.00 0.00 O ATOM 221 CB TRP A 18 -2.684 3.452 -18.334 1.00 0.00 C ATOM 222 CG TRP A 18 -2.450 2.212 -17.469 1.00 0.00 C ATOM 223 CD1 TRP A 18 -3.186 1.094 -17.412 1.00 0.00 C ATOM 224 CD2 TRP A 18 -1.371 2.010 -16.532 1.00 0.00 C ATOM 225 NE1 TRP A 18 -2.663 0.189 -16.511 1.00 0.00 N ATOM 226 CE2 TRP A 18 -1.524 0.764 -15.959 1.00 0.00 C ATOM 227 CE3 TRP A 18 -0.301 2.851 -16.180 1.00 0.00 C ATOM 228 CZ2 TRP A 18 -0.644 0.247 -15.000 1.00 0.00 C ATOM 229 CZ3 TRP A 18 0.569 2.321 -15.221 1.00 0.00 C ATOM 230 CH2 TRP A 18 0.429 1.068 -14.634 1.00 0.00 C ATOM 0 H TRP A 18 -5.358 3.834 -18.326 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.026 4.708 -16.684 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -3.191 3.152 -19.251 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -1.719 3.867 -18.624 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.077 0.923 -17.998 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.042 -0.732 -16.291 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.161 3.829 -16.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.786 -0.732 -14.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.408 2.928 -14.915 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.145 0.730 -13.899 1.00 0.00 H new ATOM 241 N GLN A 19 -3.165 6.929 -17.715 1.00 0.00 N ATOM 242 CA GLN A 19 -3.125 8.250 -18.320 1.00 0.00 C ATOM 243 C GLN A 19 -1.862 8.996 -17.885 1.00 0.00 C ATOM 244 O GLN A 19 -1.343 8.761 -16.795 1.00 0.00 O ATOM 245 CB GLN A 19 -4.382 9.050 -17.973 1.00 0.00 C ATOM 246 CG GLN A 19 -5.630 8.401 -18.576 1.00 0.00 C ATOM 247 CD GLN A 19 -5.841 8.856 -20.021 1.00 0.00 C ATOM 248 OE1 GLN A 19 -4.980 9.458 -20.642 1.00 0.00 O ATOM 249 NE2 GLN A 19 -7.031 8.536 -20.521 1.00 0.00 N ATOM 0 H GLN A 19 -2.909 6.904 -16.728 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.097 8.131 -19.403 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.489 9.115 -16.890 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.282 10.070 -18.345 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.532 7.316 -18.543 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.504 8.660 -17.978 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.706 8.031 -19.947 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.268 8.795 -21.478 1.00 0.00 H new ATOM 258 N PRO A 20 -1.393 9.903 -18.783 1.00 0.00 N ATOM 259 CA PRO A 20 -0.201 10.686 -18.503 1.00 0.00 C ATOM 260 C PRO A 20 -0.497 11.791 -17.487 1.00 0.00 C ATOM 261 O PRO A 20 -1.649 12.185 -17.311 1.00 0.00 O ATOM 262 CB PRO A 20 0.243 11.223 -19.853 1.00 0.00 C ATOM 263 CG PRO A 20 -0.968 11.110 -20.766 1.00 0.00 C ATOM 264 CD PRO A 20 -1.983 10.208 -20.083 1.00 0.00 C ATOM 0 HA PRO A 20 0.592 10.096 -18.044 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.575 12.258 -19.771 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.082 10.649 -20.245 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.397 12.094 -20.954 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.680 10.697 -21.733 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.946 10.707 -19.973 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.158 9.301 -20.661 1.00 0.00 H new ATOM 272 N SER A 21 0.563 12.260 -16.846 1.00 0.00 N ATOM 273 CA SER A 21 0.432 13.313 -15.852 1.00 0.00 C ATOM 274 C SER A 21 0.255 14.666 -16.544 1.00 0.00 C ATOM 275 O SER A 21 0.128 14.731 -17.766 1.00 0.00 O ATOM 276 CB SER A 21 1.646 13.347 -14.922 1.00 0.00 C ATOM 277 OG SER A 21 1.291 13.066 -13.571 1.00 0.00 O ATOM 0 H SER A 21 1.517 11.931 -16.995 1.00 0.00 H new ATOM 0 HA SER A 21 -0.450 13.104 -15.246 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.384 12.620 -15.262 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.117 14.328 -14.977 1.00 0.00 H new ATOM 0 HG SER A 21 2.056 13.250 -12.987 1.00 0.00 H new ATOM 283 N LYS A 22 0.252 15.713 -15.733 1.00 0.00 N ATOM 284 CA LYS A 22 0.093 17.061 -16.251 1.00 0.00 C ATOM 285 C LYS A 22 1.113 17.298 -17.366 1.00 0.00 C ATOM 286 O LYS A 22 0.751 17.709 -18.467 1.00 0.00 O ATOM 287 CB LYS A 22 0.173 18.085 -15.117 1.00 0.00 C ATOM 288 CG LYS A 22 -0.986 19.080 -15.194 1.00 0.00 C ATOM 289 CD LYS A 22 -0.472 20.521 -15.197 1.00 0.00 C ATOM 290 CE LYS A 22 -0.094 20.971 -13.784 1.00 0.00 C ATOM 291 NZ LYS A 22 -1.289 21.451 -13.056 1.00 0.00 N ATOM 0 H LYS A 22 0.357 15.655 -14.720 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.896 17.185 -16.691 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.152 17.571 -14.156 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.121 18.620 -15.172 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.569 18.896 -16.097 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.655 18.931 -14.347 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.396 20.600 -15.852 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.238 21.183 -15.601 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.361 20.142 -13.242 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.651 21.765 -13.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.015 21.752 -12.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.706 22.255 -13.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.987 20.683 -12.990 1.00 0.00 H new ATOM 305 N ASP A 23 2.369 17.028 -17.042 1.00 0.00 N ATOM 306 CA ASP A 23 3.445 17.206 -18.003 1.00 0.00 C ATOM 307 C ASP A 23 3.235 16.252 -19.180 1.00 0.00 C ATOM 308 O ASP A 23 3.012 16.690 -20.308 1.00 0.00 O ATOM 309 CB ASP A 23 4.803 16.890 -17.374 1.00 0.00 C ATOM 310 CG ASP A 23 6.007 17.501 -18.093 1.00 0.00 C ATOM 311 OD1 ASP A 23 5.872 17.757 -19.309 1.00 0.00 O ATOM 312 OD2 ASP A 23 7.035 17.700 -17.411 1.00 0.00 O ATOM 0 H ASP A 23 2.666 16.687 -16.128 1.00 0.00 H new ATOM 0 HA ASP A 23 3.434 18.245 -18.333 1.00 0.00 H new ATOM 0 HB2 ASP A 23 4.799 17.241 -16.342 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.929 15.808 -17.342 1.00 0.00 H new ATOM 317 N GLY A 24 3.313 14.964 -18.878 1.00 0.00 N ATOM 318 CA GLY A 24 3.135 13.944 -19.897 1.00 0.00 C ATOM 319 C GLY A 24 4.257 12.906 -19.836 1.00 0.00 C ATOM 320 O GLY A 24 4.009 11.709 -19.975 1.00 0.00 O ATOM 0 H GLY A 24 3.497 14.604 -17.942 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.172 13.452 -19.760 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.118 14.409 -20.883 1.00 0.00 H new ATOM 324 N ASP A 25 5.468 13.402 -19.628 1.00 0.00 N ATOM 325 CA ASP A 25 6.629 12.532 -19.547 1.00 0.00 C ATOM 326 C ASP A 25 6.350 11.407 -18.549 1.00 0.00 C ATOM 327 O ASP A 25 6.867 10.301 -18.695 1.00 0.00 O ATOM 328 CB ASP A 25 7.860 13.301 -19.062 1.00 0.00 C ATOM 329 CG ASP A 25 8.119 14.626 -19.780 1.00 0.00 C ATOM 330 OD1 ASP A 25 7.972 14.638 -21.021 1.00 0.00 O ATOM 331 OD2 ASP A 25 8.459 15.599 -19.071 1.00 0.00 O ATOM 0 H ASP A 25 5.670 14.395 -19.513 1.00 0.00 H new ATOM 0 HA ASP A 25 6.822 12.133 -20.543 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.749 13.498 -17.996 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.737 12.664 -19.179 1.00 0.00 H new ATOM 336 N ARG A 26 5.533 11.729 -17.557 1.00 0.00 N ATOM 337 CA ARG A 26 5.179 10.759 -16.534 1.00 0.00 C ATOM 338 C ARG A 26 3.827 10.119 -16.855 1.00 0.00 C ATOM 339 O ARG A 26 2.963 10.755 -17.457 1.00 0.00 O ATOM 340 CB ARG A 26 5.110 11.415 -15.153 1.00 0.00 C ATOM 341 CG ARG A 26 6.506 11.552 -14.541 1.00 0.00 C ATOM 342 CD ARG A 26 6.849 10.335 -13.680 1.00 0.00 C ATOM 343 NE ARG A 26 8.318 10.196 -13.563 1.00 0.00 N ATOM 344 CZ ARG A 26 8.929 9.422 -12.656 1.00 0.00 C ATOM 345 NH1 ARG A 26 8.202 8.713 -11.782 1.00 0.00 N ATOM 346 NH2 ARG A 26 10.267 9.357 -12.624 1.00 0.00 N ATOM 0 H ARG A 26 5.106 12.648 -17.440 1.00 0.00 H new ATOM 0 HA ARG A 26 5.954 9.993 -16.521 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.647 12.398 -15.236 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.477 10.820 -14.495 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.246 11.661 -15.334 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.554 12.456 -13.934 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.406 10.443 -12.690 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.424 9.434 -14.123 1.00 0.00 H new ATOM 0 HE ARG A 26 8.901 10.722 -14.213 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.184 8.763 -11.807 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.667 8.124 -11.091 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.820 9.897 -13.290 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.733 8.768 -11.934 1.00 0.00 H new ATOM 360 N LEU A 27 3.686 8.869 -16.439 1.00 0.00 N ATOM 361 CA LEU A 27 2.454 8.136 -16.675 1.00 0.00 C ATOM 362 C LEU A 27 1.794 7.811 -15.333 1.00 0.00 C ATOM 363 O LEU A 27 2.410 7.186 -14.471 1.00 0.00 O ATOM 364 CB LEU A 27 2.721 6.905 -17.544 1.00 0.00 C ATOM 365 CG LEU A 27 1.835 6.754 -18.782 1.00 0.00 C ATOM 366 CD1 LEU A 27 0.432 7.307 -18.524 1.00 0.00 C ATOM 367 CD2 LEU A 27 2.489 7.398 -20.006 1.00 0.00 C ATOM 0 H LEU A 27 4.405 8.345 -15.940 1.00 0.00 H new ATOM 0 HA LEU A 27 1.748 8.747 -17.238 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.762 6.932 -17.867 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.602 6.015 -16.926 1.00 0.00 H new ATOM 0 HG LEU A 27 1.727 5.691 -18.997 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.177 7.187 -19.420 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.027 6.764 -17.698 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.499 8.365 -18.270 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.839 7.277 -20.872 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.648 8.460 -19.817 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.447 6.917 -20.202 1.00 0.00 H new ATOM 379 N ILE A 28 0.551 8.249 -15.200 1.00 0.00 N ATOM 380 CA ILE A 28 -0.198 8.013 -13.978 1.00 0.00 C ATOM 381 C ILE A 28 -1.226 6.906 -14.222 1.00 0.00 C ATOM 382 O ILE A 28 -2.248 7.134 -14.868 1.00 0.00 O ATOM 383 CB ILE A 28 -0.809 9.317 -13.463 1.00 0.00 C ATOM 384 CG1 ILE A 28 0.203 10.463 -13.535 1.00 0.00 C ATOM 385 CG2 ILE A 28 -1.374 9.139 -12.052 1.00 0.00 C ATOM 386 CD1 ILE A 28 1.439 10.156 -12.688 1.00 0.00 C ATOM 0 H ILE A 28 0.044 8.766 -15.918 1.00 0.00 H new ATOM 0 HA ILE A 28 0.465 7.665 -13.186 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.643 9.583 -14.112 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.499 10.627 -14.571 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.261 11.386 -13.186 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.802 10.081 -11.710 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.148 8.372 -12.064 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.575 8.837 -11.375 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.142 10.986 -12.756 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.142 10.017 -11.648 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.915 9.246 -13.055 1.00 0.00 H new ATOM 398 N GLY A 29 -0.921 5.731 -13.691 1.00 0.00 N ATOM 399 CA GLY A 29 -1.806 4.589 -13.843 1.00 0.00 C ATOM 400 C GLY A 29 -2.704 4.424 -12.615 1.00 0.00 C ATOM 401 O GLY A 29 -2.215 4.353 -11.489 1.00 0.00 O ATOM 0 H GLY A 29 -0.073 5.545 -13.155 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.421 4.717 -14.733 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.216 3.684 -13.991 1.00 0.00 H new ATOM 405 N ARG A 30 -4.002 4.367 -12.874 1.00 0.00 N ATOM 406 CA ARG A 30 -4.973 4.212 -11.804 1.00 0.00 C ATOM 407 C ARG A 30 -5.603 2.819 -11.858 1.00 0.00 C ATOM 408 O ARG A 30 -6.334 2.500 -12.795 1.00 0.00 O ATOM 409 CB ARG A 30 -6.076 5.268 -11.904 1.00 0.00 C ATOM 410 CG ARG A 30 -6.161 6.094 -10.619 1.00 0.00 C ATOM 411 CD ARG A 30 -6.172 7.592 -10.931 1.00 0.00 C ATOM 412 NE ARG A 30 -6.225 8.370 -9.673 1.00 0.00 N ATOM 413 CZ ARG A 30 -5.964 9.682 -9.589 1.00 0.00 C ATOM 414 NH1 ARG A 30 -5.630 10.370 -10.690 1.00 0.00 N ATOM 415 NH2 ARG A 30 -6.035 10.306 -8.406 1.00 0.00 N ATOM 0 H ARG A 30 -4.404 4.425 -13.810 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.448 4.341 -10.858 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.880 5.925 -12.751 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.033 4.782 -12.093 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.063 5.827 -10.069 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.314 5.859 -9.975 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.280 7.861 -11.497 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.031 7.836 -11.556 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.476 7.877 -8.816 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.575 9.895 -11.591 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.431 11.368 -10.627 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.288 9.783 -7.568 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.836 11.304 -8.343 1.00 0.00 H new ATOM 429 N ILE A 31 -5.298 2.027 -10.841 1.00 0.00 N ATOM 430 CA ILE A 31 -5.826 0.675 -10.760 1.00 0.00 C ATOM 431 C ILE A 31 -6.840 0.596 -9.618 1.00 0.00 C ATOM 432 O ILE A 31 -6.694 1.278 -8.605 1.00 0.00 O ATOM 433 CB ILE A 31 -4.686 -0.339 -10.642 1.00 0.00 C ATOM 434 CG1 ILE A 31 -3.874 -0.405 -11.937 1.00 0.00 C ATOM 435 CG2 ILE A 31 -5.215 -1.713 -10.226 1.00 0.00 C ATOM 436 CD1 ILE A 31 -2.599 0.434 -11.829 1.00 0.00 C ATOM 0 H ILE A 31 -4.692 2.295 -10.066 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.357 0.418 -11.676 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.010 -0.003 -9.856 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.614 -1.441 -12.155 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.480 -0.046 -12.769 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.384 -2.415 -10.150 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.713 -1.634 -9.260 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.925 -2.071 -10.972 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.041 0.369 -12.763 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.863 1.474 -11.635 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.984 0.057 -11.012 1.00 0.00 H new ATOM 448 N LEU A 32 -7.846 -0.242 -9.820 1.00 0.00 N ATOM 449 CA LEU A 32 -8.885 -0.420 -8.820 1.00 0.00 C ATOM 450 C LEU A 32 -9.292 -1.894 -8.769 1.00 0.00 C ATOM 451 O LEU A 32 -9.474 -2.527 -9.808 1.00 0.00 O ATOM 452 CB LEU A 32 -10.053 0.532 -9.085 1.00 0.00 C ATOM 453 CG LEU A 32 -11.350 0.230 -8.332 1.00 0.00 C ATOM 454 CD1 LEU A 32 -11.579 1.241 -7.207 1.00 0.00 C ATOM 455 CD2 LEU A 32 -12.539 0.161 -9.292 1.00 0.00 C ATOM 0 H LEU A 32 -7.964 -0.806 -10.662 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.509 -0.159 -7.831 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.736 1.543 -8.831 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.267 0.524 -10.154 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.254 -0.752 -7.868 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.508 1.004 -6.688 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.748 1.196 -6.503 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.645 2.244 -7.627 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.448 -0.055 -8.730 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.648 1.116 -9.805 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.369 -0.628 -10.025 1.00 0.00 H new ATOM 467 N LEU A 33 -9.423 -2.397 -7.550 1.00 0.00 N ATOM 468 CA LEU A 33 -9.805 -3.784 -7.351 1.00 0.00 C ATOM 469 C LEU A 33 -11.049 -3.843 -6.462 1.00 0.00 C ATOM 470 O LEU A 33 -11.185 -3.059 -5.525 1.00 0.00 O ATOM 471 CB LEU A 33 -8.624 -4.593 -6.810 1.00 0.00 C ATOM 472 CG LEU A 33 -7.308 -4.453 -7.577 1.00 0.00 C ATOM 473 CD1 LEU A 33 -6.111 -4.508 -6.626 1.00 0.00 C ATOM 474 CD2 LEU A 33 -7.207 -5.500 -8.688 1.00 0.00 C ATOM 0 H LEU A 33 -9.271 -1.869 -6.691 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.069 -4.246 -8.302 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.451 -4.299 -5.775 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.905 -5.646 -6.799 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.294 -3.474 -8.056 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.188 -4.406 -7.197 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.183 -3.695 -5.904 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.108 -5.462 -6.099 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.262 -5.378 -9.218 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.253 -6.498 -8.253 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.034 -5.370 -9.386 1.00 0.00 H new ATOM 486 N ASN A 34 -11.926 -4.782 -6.788 1.00 0.00 N ATOM 487 CA ASN A 34 -13.155 -4.953 -6.032 1.00 0.00 C ATOM 488 C ASN A 34 -13.328 -6.432 -5.678 1.00 0.00 C ATOM 489 O ASN A 34 -13.025 -7.307 -6.487 1.00 0.00 O ATOM 490 CB ASN A 34 -14.372 -4.518 -6.851 1.00 0.00 C ATOM 491 CG ASN A 34 -15.630 -4.473 -5.981 1.00 0.00 C ATOM 492 OD1 ASN A 34 -15.706 -3.767 -4.990 1.00 0.00 O ATOM 493 ND2 ASN A 34 -16.610 -5.265 -6.407 1.00 0.00 N ATOM 0 H ASN A 34 -11.809 -5.432 -7.565 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.087 -4.338 -5.134 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -14.190 -3.535 -7.285 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -14.523 -5.209 -7.680 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -17.491 -5.306 -5.895 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -16.480 -5.831 -7.246 1.00 0.00 H new ATOM 500 N LYS A 35 -13.815 -6.664 -4.468 1.00 0.00 N ATOM 501 CA LYS A 35 -14.032 -8.021 -3.996 1.00 0.00 C ATOM 502 C LYS A 35 -15.535 -8.278 -3.869 1.00 0.00 C ATOM 503 O LYS A 35 -16.000 -9.394 -4.097 1.00 0.00 O ATOM 504 CB LYS A 35 -13.254 -8.271 -2.703 1.00 0.00 C ATOM 505 CG LYS A 35 -11.868 -7.625 -2.764 1.00 0.00 C ATOM 506 CD LYS A 35 -11.736 -6.511 -1.725 1.00 0.00 C ATOM 507 CE LYS A 35 -10.481 -6.704 -0.871 1.00 0.00 C ATOM 508 NZ LYS A 35 -9.376 -5.857 -1.374 1.00 0.00 N ATOM 0 H LYS A 35 -14.066 -5.935 -3.800 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.645 -8.741 -4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -13.810 -7.869 -1.856 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.152 -9.343 -2.537 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.102 -8.381 -2.591 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.695 -7.220 -3.761 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.694 -5.544 -2.227 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.618 -6.500 -1.085 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.698 -6.451 0.167 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.180 -7.752 -0.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.511 -6.428 -1.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.629 -5.475 -2.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.211 -5.072 -0.712 1.00 0.00 H new ATOM 522 N ARG A 36 -16.254 -7.226 -3.504 1.00 0.00 N ATOM 523 CA ARG A 36 -17.695 -7.323 -3.344 1.00 0.00 C ATOM 524 C ARG A 36 -18.291 -8.221 -4.430 1.00 0.00 C ATOM 525 O ARG A 36 -18.277 -7.869 -5.608 1.00 0.00 O ATOM 526 CB ARG A 36 -18.351 -5.943 -3.416 1.00 0.00 C ATOM 527 CG ARG A 36 -18.630 -5.395 -2.015 1.00 0.00 C ATOM 528 CD ARG A 36 -19.024 -3.917 -2.073 1.00 0.00 C ATOM 529 NE ARG A 36 -20.430 -3.751 -1.641 1.00 0.00 N ATOM 530 CZ ARG A 36 -21.487 -3.887 -2.453 1.00 0.00 C ATOM 531 NH1 ARG A 36 -21.304 -4.192 -3.745 1.00 0.00 N ATOM 532 NH2 ARG A 36 -22.727 -3.718 -1.974 1.00 0.00 N ATOM 0 H ARG A 36 -15.865 -6.302 -3.315 1.00 0.00 H new ATOM 0 HA ARG A 36 -17.891 -7.755 -2.363 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -17.701 -5.255 -3.957 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -19.283 -6.008 -3.977 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -19.430 -5.970 -1.548 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -17.745 -5.515 -1.391 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -18.366 -3.331 -1.431 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -18.899 -3.538 -3.088 1.00 0.00 H new ATOM 0 HE ARG A 36 -20.605 -3.518 -0.663 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -20.360 -4.321 -4.110 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -22.108 -4.296 -4.363 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -22.867 -3.486 -0.991 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -23.531 -3.822 -2.593 1.00 0.00 H new ATOM 546 N LEU A 37 -18.800 -9.364 -3.994 1.00 0.00 N ATOM 547 CA LEU A 37 -19.399 -10.315 -4.914 1.00 0.00 C ATOM 548 C LEU A 37 -20.647 -9.693 -5.543 1.00 0.00 C ATOM 549 O LEU A 37 -20.957 -8.528 -5.295 1.00 0.00 O ATOM 550 CB LEU A 37 -19.665 -11.648 -4.210 1.00 0.00 C ATOM 551 CG LEU A 37 -18.450 -12.320 -3.567 1.00 0.00 C ATOM 552 CD1 LEU A 37 -18.857 -13.112 -2.322 1.00 0.00 C ATOM 553 CD2 LEU A 37 -17.704 -13.189 -4.581 1.00 0.00 C ATOM 0 H LEU A 37 -18.810 -9.653 -3.016 1.00 0.00 H new ATOM 0 HA LEU A 37 -18.710 -10.542 -5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -20.416 -11.485 -3.437 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -20.097 -12.339 -4.934 1.00 0.00 H new ATOM 0 HG LEU A 37 -17.760 -11.541 -3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -17.975 -13.580 -1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -19.310 -12.439 -1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -19.576 -13.882 -2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.845 -13.655 -4.098 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -18.372 -13.963 -4.958 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -17.362 -12.569 -5.410 1.00 0.00 H new ATOM 565 N LYS A 38 -21.331 -10.497 -6.344 1.00 0.00 N ATOM 566 CA LYS A 38 -22.539 -10.039 -7.010 1.00 0.00 C ATOM 567 C LYS A 38 -23.495 -9.447 -5.973 1.00 0.00 C ATOM 568 O LYS A 38 -24.218 -8.495 -6.262 1.00 0.00 O ATOM 569 CB LYS A 38 -23.153 -11.168 -7.841 1.00 0.00 C ATOM 570 CG LYS A 38 -23.593 -10.660 -9.215 1.00 0.00 C ATOM 571 CD LYS A 38 -22.785 -11.326 -10.330 1.00 0.00 C ATOM 572 CE LYS A 38 -23.182 -12.794 -10.494 1.00 0.00 C ATOM 573 NZ LYS A 38 -24.167 -12.946 -11.588 1.00 0.00 N ATOM 0 H LYS A 38 -21.072 -11.462 -6.547 1.00 0.00 H new ATOM 0 HA LYS A 38 -22.306 -9.244 -7.718 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -22.427 -11.972 -7.962 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -24.009 -11.589 -7.313 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -24.654 -10.863 -9.359 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -23.466 -9.579 -9.265 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -22.947 -10.795 -11.268 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -21.721 -11.257 -10.104 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -22.298 -13.394 -10.707 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -23.604 -13.169 -9.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -24.425 -13.949 -11.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -25.018 -12.389 -11.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -23.751 -12.607 -12.479 1.00 0.00 H new ATOM 587 N ASP A 39 -23.468 -10.036 -4.787 1.00 0.00 N ATOM 588 CA ASP A 39 -24.324 -9.579 -3.705 1.00 0.00 C ATOM 589 C ASP A 39 -23.767 -8.272 -3.137 1.00 0.00 C ATOM 590 O ASP A 39 -24.527 -7.375 -2.774 1.00 0.00 O ATOM 591 CB ASP A 39 -24.372 -10.605 -2.570 1.00 0.00 C ATOM 592 CG ASP A 39 -25.237 -11.836 -2.848 1.00 0.00 C ATOM 593 OD1 ASP A 39 -25.267 -12.254 -4.026 1.00 0.00 O ATOM 594 OD2 ASP A 39 -25.848 -12.332 -1.877 1.00 0.00 O ATOM 0 H ASP A 39 -22.867 -10.826 -4.551 1.00 0.00 H new ATOM 0 HA ASP A 39 -25.328 -9.437 -4.106 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -23.356 -10.935 -2.355 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -24.744 -10.113 -1.671 1.00 0.00 H new ATOM 599 N GLY A 40 -22.445 -8.205 -3.078 1.00 0.00 N ATOM 600 CA GLY A 40 -21.778 -7.023 -2.561 1.00 0.00 C ATOM 601 C GLY A 40 -21.588 -7.119 -1.046 1.00 0.00 C ATOM 602 O GLY A 40 -21.935 -6.195 -0.313 1.00 0.00 O ATOM 0 H GLY A 40 -21.818 -8.951 -3.380 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -20.809 -6.907 -3.046 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -22.364 -6.136 -2.802 1.00 0.00 H new ATOM 606 N SER A 41 -21.037 -8.247 -0.621 1.00 0.00 N ATOM 607 CA SER A 41 -20.796 -8.476 0.793 1.00 0.00 C ATOM 608 C SER A 41 -19.358 -8.953 1.009 1.00 0.00 C ATOM 609 O SER A 41 -18.985 -9.328 2.119 1.00 0.00 O ATOM 610 CB SER A 41 -21.784 -9.497 1.361 1.00 0.00 C ATOM 611 OG SER A 41 -23.029 -8.898 1.709 1.00 0.00 O ATOM 0 H SER A 41 -20.751 -9.012 -1.232 1.00 0.00 H new ATOM 0 HA SER A 41 -20.943 -7.534 1.322 1.00 0.00 H new ATOM 0 HB2 SER A 41 -21.953 -10.285 0.627 1.00 0.00 H new ATOM 0 HB3 SER A 41 -21.350 -9.970 2.242 1.00 0.00 H new ATOM 0 HG SER A 41 -23.633 -9.582 2.066 1.00 0.00 H new ATOM 617 N VAL A 42 -18.590 -8.922 -0.071 1.00 0.00 N ATOM 618 CA VAL A 42 -17.201 -9.346 -0.014 1.00 0.00 C ATOM 619 C VAL A 42 -17.138 -10.817 0.403 1.00 0.00 C ATOM 620 O VAL A 42 -17.798 -11.224 1.358 1.00 0.00 O ATOM 621 CB VAL A 42 -16.412 -8.426 0.920 1.00 0.00 C ATOM 622 CG1 VAL A 42 -15.164 -9.130 1.457 1.00 0.00 C ATOM 623 CG2 VAL A 42 -16.043 -7.118 0.217 1.00 0.00 C ATOM 0 H VAL A 42 -18.903 -8.610 -0.990 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.736 -9.266 -0.997 1.00 0.00 H new ATOM 0 HB VAL A 42 -17.051 -8.182 1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.621 -8.454 2.118 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -15.459 -10.021 2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.522 -9.417 0.625 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.483 -6.482 0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.431 -7.335 -0.658 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.952 -6.603 -0.095 1.00 0.00 H new ATOM 633 N PRO A 43 -16.318 -11.593 -0.354 1.00 0.00 N ATOM 634 CA PRO A 43 -16.160 -13.010 -0.073 1.00 0.00 C ATOM 635 C PRO A 43 -15.286 -13.230 1.163 1.00 0.00 C ATOM 636 O PRO A 43 -14.984 -12.286 1.891 1.00 0.00 O ATOM 637 CB PRO A 43 -15.557 -13.597 -1.339 1.00 0.00 C ATOM 638 CG PRO A 43 -14.971 -12.423 -2.105 1.00 0.00 C ATOM 639 CD PRO A 43 -15.521 -11.145 -1.492 1.00 0.00 C ATOM 0 HA PRO A 43 -17.104 -13.499 0.167 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -14.787 -14.331 -1.101 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -16.315 -14.110 -1.931 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.883 -12.436 -2.049 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -15.236 -12.485 -3.160 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -14.717 -10.480 -1.175 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -16.129 -10.592 -2.208 1.00 0.00 H new ATOM 647 N ARG A 44 -14.903 -14.483 1.363 1.00 0.00 N ATOM 648 CA ARG A 44 -14.070 -14.839 2.498 1.00 0.00 C ATOM 649 C ARG A 44 -13.027 -13.750 2.753 1.00 0.00 C ATOM 650 O ARG A 44 -12.748 -13.409 3.902 1.00 0.00 O ATOM 651 CB ARG A 44 -13.358 -16.173 2.262 1.00 0.00 C ATOM 652 CG ARG A 44 -14.328 -17.346 2.411 1.00 0.00 C ATOM 653 CD ARG A 44 -13.575 -18.646 2.704 1.00 0.00 C ATOM 654 NE ARG A 44 -13.373 -19.408 1.452 1.00 0.00 N ATOM 655 CZ ARG A 44 -14.367 -19.936 0.725 1.00 0.00 C ATOM 656 NH1 ARG A 44 -15.639 -19.789 1.122 1.00 0.00 N ATOM 657 NH2 ARG A 44 -14.090 -20.612 -0.398 1.00 0.00 N ATOM 0 H ARG A 44 -15.155 -15.264 0.757 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.719 -14.936 3.368 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.919 -16.184 1.264 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.538 -16.282 2.972 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -15.032 -17.140 3.217 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -14.912 -17.458 1.498 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -12.612 -18.422 3.163 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -14.136 -19.248 3.419 1.00 0.00 H new ATOM 0 HE ARG A 44 -12.417 -19.540 1.122 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -15.850 -19.275 1.977 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -16.396 -20.191 0.569 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -13.122 -20.725 -0.700 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -14.847 -21.014 -0.951 1.00 0.00 H new ATOM 671 N ASP A 45 -12.478 -13.234 1.663 1.00 0.00 N ATOM 672 CA ASP A 45 -11.471 -12.190 1.755 1.00 0.00 C ATOM 673 C ASP A 45 -11.062 -11.757 0.345 1.00 0.00 C ATOM 674 O ASP A 45 -11.018 -10.565 0.047 1.00 0.00 O ATOM 675 CB ASP A 45 -10.220 -12.693 2.477 1.00 0.00 C ATOM 676 CG ASP A 45 -9.935 -14.188 2.312 1.00 0.00 C ATOM 677 OD1 ASP A 45 -10.669 -14.978 2.945 1.00 0.00 O ATOM 678 OD2 ASP A 45 -8.991 -14.506 1.558 1.00 0.00 O ATOM 0 H ASP A 45 -12.711 -13.519 0.712 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.898 -11.357 2.313 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.359 -12.132 2.114 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -10.319 -12.472 3.540 1.00 0.00 H new ATOM 683 N SER A 46 -10.773 -12.750 -0.483 1.00 0.00 N ATOM 684 CA SER A 46 -10.369 -12.487 -1.854 1.00 0.00 C ATOM 685 C SER A 46 -8.934 -11.957 -1.884 1.00 0.00 C ATOM 686 O SER A 46 -8.636 -11.001 -2.598 1.00 0.00 O ATOM 687 CB SER A 46 -11.316 -11.490 -2.526 1.00 0.00 C ATOM 688 OG SER A 46 -11.701 -11.916 -3.831 1.00 0.00 O ATOM 0 H SER A 46 -10.811 -13.738 -0.231 1.00 0.00 H new ATOM 0 HA SER A 46 -10.416 -13.424 -2.410 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.206 -11.362 -1.909 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.831 -10.516 -2.591 1.00 0.00 H new ATOM 0 HG SER A 46 -12.306 -11.254 -4.226 1.00 0.00 H new ATOM 694 N GLY A 47 -8.083 -12.602 -1.100 1.00 0.00 N ATOM 695 CA GLY A 47 -6.686 -12.208 -1.028 1.00 0.00 C ATOM 696 C GLY A 47 -6.538 -10.827 -0.387 1.00 0.00 C ATOM 697 O GLY A 47 -6.719 -9.808 -1.052 1.00 0.00 O ATOM 0 H GLY A 47 -8.334 -13.395 -0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.127 -12.943 -0.450 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.256 -12.196 -2.029 1.00 0.00 H new ATOM 701 N ALA A 48 -6.212 -10.837 0.897 1.00 0.00 N ATOM 702 CA ALA A 48 -6.038 -9.597 1.635 1.00 0.00 C ATOM 703 C ALA A 48 -5.078 -8.684 0.870 1.00 0.00 C ATOM 704 O ALA A 48 -5.276 -7.471 0.821 1.00 0.00 O ATOM 705 CB ALA A 48 -5.543 -9.909 3.048 1.00 0.00 C ATOM 0 H ALA A 48 -6.064 -11.684 1.445 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.988 -9.071 1.731 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.412 -8.979 3.601 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.273 -10.536 3.559 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.590 -10.435 2.992 1.00 0.00 H new ATOM 711 N MET A 49 -4.058 -9.302 0.291 1.00 0.00 N ATOM 712 CA MET A 49 -3.067 -8.559 -0.469 1.00 0.00 C ATOM 713 C MET A 49 -3.504 -8.395 -1.926 1.00 0.00 C ATOM 714 O MET A 49 -2.682 -8.113 -2.796 1.00 0.00 O ATOM 715 CB MET A 49 -1.728 -9.296 -0.418 1.00 0.00 C ATOM 716 CG MET A 49 -0.853 -8.766 0.720 1.00 0.00 C ATOM 717 SD MET A 49 0.845 -8.650 0.182 1.00 0.00 S ATOM 718 CE MET A 49 1.344 -7.170 1.046 1.00 0.00 C ATOM 0 H MET A 49 -3.897 -10.308 0.333 1.00 0.00 H new ATOM 0 HA MET A 49 -2.964 -7.568 -0.026 1.00 0.00 H new ATOM 0 HB2 MET A 49 -1.901 -10.363 -0.281 1.00 0.00 H new ATOM 0 HB3 MET A 49 -1.207 -9.177 -1.368 1.00 0.00 H new ATOM 0 HG2 MET A 49 -1.210 -7.786 1.038 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.925 -9.427 1.583 1.00 0.00 H new ATOM 0 HE1 MET A 49 2.388 -6.951 0.820 1.00 0.00 H new ATOM 0 HE2 MET A 49 0.721 -6.335 0.727 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.229 -7.319 2.120 1.00 0.00 H new ATOM 728 N LEU A 50 -4.798 -8.578 -2.147 1.00 0.00 N ATOM 729 CA LEU A 50 -5.354 -8.453 -3.483 1.00 0.00 C ATOM 730 C LEU A 50 -4.860 -9.616 -4.347 1.00 0.00 C ATOM 731 O LEU A 50 -5.660 -10.408 -4.843 1.00 0.00 O ATOM 732 CB LEU A 50 -5.039 -7.075 -4.068 1.00 0.00 C ATOM 733 CG LEU A 50 -5.667 -5.880 -3.347 1.00 0.00 C ATOM 734 CD1 LEU A 50 -7.114 -5.668 -3.796 1.00 0.00 C ATOM 735 CD2 LEU A 50 -5.554 -6.035 -1.829 1.00 0.00 C ATOM 0 H LEU A 50 -5.477 -8.812 -1.423 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.442 -8.519 -3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.957 -6.943 -4.073 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.367 -7.060 -5.107 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.111 -4.984 -3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.537 -4.813 -3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.138 -5.481 -4.869 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.699 -6.559 -3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.008 -5.173 -1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.070 -6.943 -1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.503 -6.100 -1.547 1.00 0.00 H new ATOM 747 N GLY A 51 -3.546 -9.680 -4.500 1.00 0.00 N ATOM 748 CA GLY A 51 -2.936 -10.733 -5.295 1.00 0.00 C ATOM 749 C GLY A 51 -1.433 -10.498 -5.455 1.00 0.00 C ATOM 750 O GLY A 51 -0.658 -11.449 -5.535 1.00 0.00 O ATOM 0 H GLY A 51 -2.886 -9.020 -4.087 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.108 -11.699 -4.820 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.408 -10.772 -6.277 1.00 0.00 H new ATOM 754 N LEU A 52 -1.066 -9.225 -5.497 1.00 0.00 N ATOM 755 CA LEU A 52 0.330 -8.853 -5.646 1.00 0.00 C ATOM 756 C LEU A 52 0.926 -8.561 -4.267 1.00 0.00 C ATOM 757 O LEU A 52 0.203 -8.512 -3.273 1.00 0.00 O ATOM 758 CB LEU A 52 0.474 -7.696 -6.636 1.00 0.00 C ATOM 759 CG LEU A 52 0.413 -6.289 -6.036 1.00 0.00 C ATOM 760 CD1 LEU A 52 1.809 -5.798 -5.648 1.00 0.00 C ATOM 761 CD2 LEU A 52 -0.293 -5.319 -6.985 1.00 0.00 C ATOM 0 H LEU A 52 -1.712 -8.438 -5.430 1.00 0.00 H new ATOM 0 HA LEU A 52 0.900 -9.678 -6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.425 -7.806 -7.158 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.313 -7.785 -7.385 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.179 -6.332 -5.122 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.738 -4.796 -5.224 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.240 -6.474 -4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.445 -5.773 -6.533 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.323 -4.327 -6.535 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.250 -5.273 -7.929 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.310 -5.665 -7.168 1.00 0.00 H new ATOM 773 N LYS A 53 2.237 -8.374 -4.252 1.00 0.00 N ATOM 774 CA LYS A 53 2.938 -8.088 -3.011 1.00 0.00 C ATOM 775 C LYS A 53 3.617 -6.721 -3.118 1.00 0.00 C ATOM 776 O LYS A 53 4.374 -6.471 -4.055 1.00 0.00 O ATOM 777 CB LYS A 53 3.899 -9.226 -2.664 1.00 0.00 C ATOM 778 CG LYS A 53 4.074 -9.353 -1.149 1.00 0.00 C ATOM 779 CD LYS A 53 5.268 -10.247 -0.808 1.00 0.00 C ATOM 780 CE LYS A 53 6.144 -9.605 0.269 1.00 0.00 C ATOM 781 NZ LYS A 53 6.628 -10.628 1.223 1.00 0.00 N ATOM 0 H LYS A 53 2.833 -8.415 -5.079 1.00 0.00 H new ATOM 0 HA LYS A 53 2.235 -8.031 -2.180 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.519 -10.164 -3.070 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.867 -9.045 -3.132 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.218 -8.365 -0.712 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.167 -9.767 -0.708 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.913 -11.218 -0.462 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.861 -10.426 -1.705 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.992 -9.103 -0.196 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.575 -8.843 0.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.221 -10.174 1.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.815 -11.089 1.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.188 -11.341 0.713 1.00 0.00 H new ATOM 795 N VAL A 54 3.321 -5.872 -2.145 1.00 0.00 N ATOM 796 CA VAL A 54 3.893 -4.536 -2.117 1.00 0.00 C ATOM 797 C VAL A 54 4.909 -4.445 -0.976 1.00 0.00 C ATOM 798 O VAL A 54 4.738 -5.077 0.064 1.00 0.00 O ATOM 799 CB VAL A 54 2.780 -3.492 -2.012 1.00 0.00 C ATOM 800 CG1 VAL A 54 3.356 -2.074 -2.025 1.00 0.00 C ATOM 801 CG2 VAL A 54 1.749 -3.676 -3.126 1.00 0.00 C ATOM 0 H VAL A 54 2.692 -6.083 -1.370 1.00 0.00 H new ATOM 0 HA VAL A 54 4.427 -4.329 -3.045 1.00 0.00 H new ATOM 0 HB VAL A 54 2.272 -3.638 -1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.544 -1.351 -1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.034 -1.949 -1.180 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.901 -1.911 -2.955 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.969 -2.921 -3.028 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.237 -3.570 -4.095 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.305 -4.669 -3.050 1.00 0.00 H new ATOM 811 N VAL A 55 5.945 -3.652 -1.211 1.00 0.00 N ATOM 812 CA VAL A 55 6.988 -3.470 -0.216 1.00 0.00 C ATOM 813 C VAL A 55 7.260 -1.975 -0.038 1.00 0.00 C ATOM 814 O VAL A 55 7.764 -1.319 -0.948 1.00 0.00 O ATOM 815 CB VAL A 55 8.235 -4.262 -0.615 1.00 0.00 C ATOM 816 CG1 VAL A 55 9.481 -3.708 0.080 1.00 0.00 C ATOM 817 CG2 VAL A 55 8.057 -5.752 -0.317 1.00 0.00 C ATOM 0 H VAL A 55 6.084 -3.129 -2.076 1.00 0.00 H new ATOM 0 HA VAL A 55 6.668 -3.860 0.750 1.00 0.00 H new ATOM 0 HB VAL A 55 8.374 -4.150 -1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 55 10.353 -4.288 -0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 55 9.623 -2.665 -0.205 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.355 -3.775 1.161 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.958 -6.292 -0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.881 -5.891 0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.205 -6.136 -0.878 1.00 0.00 H new ATOM 827 N GLY A 56 6.916 -1.480 1.142 1.00 0.00 N ATOM 828 CA GLY A 56 7.117 -0.075 1.452 1.00 0.00 C ATOM 829 C GLY A 56 8.401 0.130 2.259 1.00 0.00 C ATOM 830 O GLY A 56 9.188 -0.800 2.428 1.00 0.00 O ATOM 0 H GLY A 56 6.499 -2.027 1.895 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.168 0.501 0.528 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.264 0.302 2.016 1.00 0.00 H new ATOM 834 N GLY A 57 8.572 1.354 2.737 1.00 0.00 N ATOM 835 CA GLY A 57 9.747 1.694 3.522 1.00 0.00 C ATOM 836 C GLY A 57 11.022 1.559 2.688 1.00 0.00 C ATOM 837 O GLY A 57 12.127 1.596 3.226 1.00 0.00 O ATOM 0 H GLY A 57 7.916 2.123 2.596 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.658 2.715 3.893 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.808 1.042 4.393 1.00 0.00 H new ATOM 841 N LYS A 58 10.826 1.406 1.386 1.00 0.00 N ATOM 842 CA LYS A 58 11.947 1.266 0.472 1.00 0.00 C ATOM 843 C LYS A 58 12.663 2.611 0.340 1.00 0.00 C ATOM 844 O LYS A 58 12.061 3.602 -0.072 1.00 0.00 O ATOM 845 CB LYS A 58 11.479 0.685 -0.864 1.00 0.00 C ATOM 846 CG LYS A 58 12.652 0.523 -1.832 1.00 0.00 C ATOM 847 CD LYS A 58 12.850 -0.946 -2.213 1.00 0.00 C ATOM 848 CE LYS A 58 12.269 -1.236 -3.598 1.00 0.00 C ATOM 849 NZ LYS A 58 13.337 -1.659 -4.531 1.00 0.00 N ATOM 0 H LYS A 58 9.908 1.376 0.943 1.00 0.00 H new ATOM 0 HA LYS A 58 12.673 0.555 0.866 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.004 -0.282 -0.698 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.726 1.338 -1.305 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.471 1.114 -2.730 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.562 0.909 -1.374 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.913 -1.188 -2.203 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.370 -1.585 -1.472 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.512 -2.017 -3.525 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.773 -0.346 -3.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.925 -1.852 -5.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.045 -0.902 -4.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.793 -2.521 -4.169 1.00 0.00 H new ATOM 863 N MET A 59 13.939 2.604 0.698 1.00 0.00 N ATOM 864 CA MET A 59 14.743 3.812 0.625 1.00 0.00 C ATOM 865 C MET A 59 15.333 3.993 -0.775 1.00 0.00 C ATOM 866 O MET A 59 16.219 3.242 -1.182 1.00 0.00 O ATOM 867 CB MET A 59 15.876 3.733 1.650 1.00 0.00 C ATOM 868 CG MET A 59 16.261 5.127 2.150 1.00 0.00 C ATOM 869 SD MET A 59 15.429 5.475 3.690 1.00 0.00 S ATOM 870 CE MET A 59 14.768 7.093 3.327 1.00 0.00 C ATOM 0 H MET A 59 14.436 1.781 1.039 1.00 0.00 H new ATOM 0 HA MET A 59 14.103 4.667 0.843 1.00 0.00 H new ATOM 0 HB2 MET A 59 15.567 3.113 2.492 1.00 0.00 H new ATOM 0 HB3 MET A 59 16.744 3.251 1.201 1.00 0.00 H new ATOM 0 HG2 MET A 59 17.340 5.187 2.289 1.00 0.00 H new ATOM 0 HG3 MET A 59 15.993 5.876 1.405 1.00 0.00 H new ATOM 0 HE1 MET A 59 14.141 7.424 4.155 1.00 0.00 H new ATOM 0 HE2 MET A 59 15.588 7.798 3.188 1.00 0.00 H new ATOM 0 HE3 MET A 59 14.171 7.046 2.416 1.00 0.00 H new ATOM 880 N THR A 60 14.819 4.995 -1.474 1.00 0.00 N ATOM 881 CA THR A 60 15.284 5.285 -2.819 1.00 0.00 C ATOM 882 C THR A 60 16.651 5.970 -2.775 1.00 0.00 C ATOM 883 O THR A 60 17.313 5.977 -1.738 1.00 0.00 O ATOM 884 CB THR A 60 14.209 6.117 -3.522 1.00 0.00 C ATOM 885 OG1 THR A 60 13.950 7.185 -2.615 1.00 0.00 O ATOM 886 CG2 THR A 60 12.872 5.381 -3.624 1.00 0.00 C ATOM 0 H THR A 60 14.085 5.616 -1.133 1.00 0.00 H new ATOM 0 HA THR A 60 15.433 4.370 -3.392 1.00 0.00 H new ATOM 0 HB THR A 60 14.552 6.384 -4.521 1.00 0.00 H new ATOM 0 HG1 THR A 60 13.167 6.967 -2.068 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.145 6.016 -4.131 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.006 4.459 -4.190 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.511 5.143 -2.624 1.00 0.00 H new ATOM 894 N GLU A 61 17.034 6.530 -3.914 1.00 0.00 N ATOM 895 CA GLU A 61 18.310 7.217 -4.018 1.00 0.00 C ATOM 896 C GLU A 61 18.147 8.697 -3.667 1.00 0.00 C ATOM 897 O GLU A 61 19.134 9.408 -3.485 1.00 0.00 O ATOM 898 CB GLU A 61 18.911 7.048 -5.415 1.00 0.00 C ATOM 899 CG GLU A 61 17.858 7.290 -6.498 1.00 0.00 C ATOM 900 CD GLU A 61 18.481 7.944 -7.732 1.00 0.00 C ATOM 901 OE1 GLU A 61 18.752 9.162 -7.654 1.00 0.00 O ATOM 902 OE2 GLU A 61 18.674 7.211 -8.727 1.00 0.00 O ATOM 0 H GLU A 61 16.483 6.522 -4.772 1.00 0.00 H new ATOM 0 HA GLU A 61 19.001 6.769 -3.304 1.00 0.00 H new ATOM 0 HB2 GLU A 61 19.739 7.745 -5.545 1.00 0.00 H new ATOM 0 HB3 GLU A 61 19.321 6.043 -5.519 1.00 0.00 H new ATOM 0 HG2 GLU A 61 17.395 6.344 -6.778 1.00 0.00 H new ATOM 0 HG3 GLU A 61 17.066 7.928 -6.105 1.00 0.00 H new ATOM 909 N SER A 62 16.893 9.118 -3.582 1.00 0.00 N ATOM 910 CA SER A 62 16.588 10.500 -3.256 1.00 0.00 C ATOM 911 C SER A 62 16.378 10.648 -1.748 1.00 0.00 C ATOM 912 O SER A 62 16.230 11.761 -1.245 1.00 0.00 O ATOM 913 CB SER A 62 15.350 10.984 -4.014 1.00 0.00 C ATOM 914 OG SER A 62 15.462 12.351 -4.402 1.00 0.00 O ATOM 0 H SER A 62 16.077 8.525 -3.733 1.00 0.00 H new ATOM 0 HA SER A 62 17.433 11.118 -3.561 1.00 0.00 H new ATOM 0 HB2 SER A 62 15.203 10.367 -4.900 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.468 10.856 -3.387 1.00 0.00 H new ATOM 0 HG SER A 62 14.653 12.621 -4.884 1.00 0.00 H new ATOM 920 N GLY A 63 16.372 9.511 -1.069 1.00 0.00 N ATOM 921 CA GLY A 63 16.183 9.500 0.372 1.00 0.00 C ATOM 922 C GLY A 63 14.697 9.438 0.729 1.00 0.00 C ATOM 923 O GLY A 63 14.330 9.559 1.897 1.00 0.00 O ATOM 0 H GLY A 63 16.495 8.590 -1.490 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.701 8.643 0.804 1.00 0.00 H new ATOM 0 HA3 GLY A 63 16.628 10.394 0.808 1.00 0.00 H new ATOM 927 N ARG A 64 13.881 9.250 -0.298 1.00 0.00 N ATOM 928 CA ARG A 64 12.443 9.171 -0.107 1.00 0.00 C ATOM 929 C ARG A 64 12.000 7.709 -0.011 1.00 0.00 C ATOM 930 O ARG A 64 12.702 6.813 -0.476 1.00 0.00 O ATOM 931 CB ARG A 64 11.696 9.849 -1.257 1.00 0.00 C ATOM 932 CG ARG A 64 11.196 11.235 -0.844 1.00 0.00 C ATOM 933 CD ARG A 64 10.222 11.797 -1.882 1.00 0.00 C ATOM 934 NE ARG A 64 9.936 13.220 -1.589 1.00 0.00 N ATOM 935 CZ ARG A 64 9.206 13.640 -0.547 1.00 0.00 C ATOM 936 NH1 ARG A 64 8.683 12.750 0.307 1.00 0.00 N ATOM 937 NH2 ARG A 64 8.998 14.950 -0.359 1.00 0.00 N ATOM 0 H ARG A 64 14.189 9.150 -1.265 1.00 0.00 H new ATOM 0 HA ARG A 64 12.203 9.689 0.822 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.355 9.939 -2.121 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.852 9.230 -1.562 1.00 0.00 H new ATOM 0 HG2 ARG A 64 10.704 11.174 0.127 1.00 0.00 H new ATOM 0 HG3 ARG A 64 12.043 11.912 -0.730 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.647 11.701 -2.881 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.296 11.222 -1.873 1.00 0.00 H new ATOM 0 HE ARG A 64 10.319 13.924 -2.220 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.841 11.752 0.164 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.127 13.070 1.100 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.395 15.628 -1.009 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.442 15.269 0.434 1.00 0.00 H new ATOM 951 N LEU A 65 10.838 7.515 0.594 1.00 0.00 N ATOM 952 CA LEU A 65 10.293 6.178 0.756 1.00 0.00 C ATOM 953 C LEU A 65 9.058 6.023 -0.135 1.00 0.00 C ATOM 954 O LEU A 65 8.283 6.965 -0.296 1.00 0.00 O ATOM 955 CB LEU A 65 10.025 5.884 2.234 1.00 0.00 C ATOM 956 CG LEU A 65 11.237 5.970 3.165 1.00 0.00 C ATOM 957 CD1 LEU A 65 10.798 6.080 4.626 1.00 0.00 C ATOM 958 CD2 LEU A 65 12.187 4.793 2.938 1.00 0.00 C ATOM 0 H LEU A 65 10.258 8.261 0.978 1.00 0.00 H new ATOM 0 HA LEU A 65 11.017 5.430 0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.267 6.581 2.591 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.601 4.883 2.314 1.00 0.00 H new ATOM 0 HG LEU A 65 11.789 6.879 2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.678 6.140 5.267 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.192 6.976 4.757 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.211 5.202 4.897 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.039 4.878 3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.662 3.858 3.134 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.538 4.802 1.906 1.00 0.00 H new ATOM 970 N CYS A 66 8.914 4.829 -0.689 1.00 0.00 N ATOM 971 CA CYS A 66 7.787 4.539 -1.559 1.00 0.00 C ATOM 972 C CYS A 66 7.639 3.020 -1.664 1.00 0.00 C ATOM 973 O CYS A 66 8.616 2.286 -1.522 1.00 0.00 O ATOM 974 CB CYS A 66 7.951 5.192 -2.933 1.00 0.00 C ATOM 975 SG CYS A 66 6.366 5.938 -3.465 1.00 0.00 S ATOM 0 H CYS A 66 9.559 4.051 -0.553 1.00 0.00 H new ATOM 0 HA CYS A 66 6.878 4.963 -1.133 1.00 0.00 H new ATOM 0 HB2 CYS A 66 8.726 5.957 -2.891 1.00 0.00 H new ATOM 0 HB3 CYS A 66 8.275 4.449 -3.662 1.00 0.00 H new ATOM 0 HG CYS A 66 6.593 6.829 -4.384 1.00 0.00 H new ATOM 981 N ALA A 67 6.409 2.593 -1.911 1.00 0.00 N ATOM 982 CA ALA A 67 6.121 1.174 -2.036 1.00 0.00 C ATOM 983 C ALA A 67 6.193 0.771 -3.510 1.00 0.00 C ATOM 984 O ALA A 67 5.652 1.461 -4.373 1.00 0.00 O ATOM 985 CB ALA A 67 4.755 0.874 -1.416 1.00 0.00 C ATOM 0 H ALA A 67 5.601 3.204 -2.028 1.00 0.00 H new ATOM 0 HA ALA A 67 6.861 0.583 -1.496 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.539 -0.190 -1.510 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.765 1.151 -0.362 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.986 1.447 -1.934 1.00 0.00 H new ATOM 991 N PHE A 68 6.865 -0.344 -3.754 1.00 0.00 N ATOM 992 CA PHE A 68 7.015 -0.847 -5.109 1.00 0.00 C ATOM 993 C PHE A 68 6.522 -2.291 -5.215 1.00 0.00 C ATOM 994 O PHE A 68 6.637 -3.062 -4.263 1.00 0.00 O ATOM 995 CB PHE A 68 8.508 -0.804 -5.439 1.00 0.00 C ATOM 996 CG PHE A 68 9.141 0.580 -5.286 1.00 0.00 C ATOM 997 CD1 PHE A 68 9.061 1.481 -6.302 1.00 0.00 C ATOM 998 CD2 PHE A 68 9.783 0.911 -4.133 1.00 0.00 C ATOM 999 CE1 PHE A 68 9.648 2.766 -6.160 1.00 0.00 C ATOM 1000 CE2 PHE A 68 10.369 2.196 -3.991 1.00 0.00 C ATOM 1001 CZ PHE A 68 10.290 3.097 -5.007 1.00 0.00 C ATOM 0 H PHE A 68 7.312 -0.914 -3.036 1.00 0.00 H new ATOM 0 HA PHE A 68 6.429 -0.240 -5.799 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.033 -1.506 -4.791 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.653 -1.147 -6.463 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.551 1.219 -7.217 1.00 0.00 H new ATOM 0 HD2 PHE A 68 9.847 0.196 -3.326 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.585 3.481 -6.967 1.00 0.00 H new ATOM 0 HE2 PHE A 68 10.878 2.459 -3.075 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.737 4.074 -4.899 1.00 0.00 H new ATOM 1011 N ILE A 69 5.984 -2.615 -6.382 1.00 0.00 N ATOM 1012 CA ILE A 69 5.473 -3.953 -6.625 1.00 0.00 C ATOM 1013 C ILE A 69 6.644 -4.935 -6.703 1.00 0.00 C ATOM 1014 O ILE A 69 7.630 -4.676 -7.390 1.00 0.00 O ATOM 1015 CB ILE A 69 4.575 -3.967 -7.864 1.00 0.00 C ATOM 1016 CG1 ILE A 69 3.437 -2.953 -7.727 1.00 0.00 C ATOM 1017 CG2 ILE A 69 4.055 -5.377 -8.148 1.00 0.00 C ATOM 1018 CD1 ILE A 69 2.564 -2.936 -8.984 1.00 0.00 C ATOM 0 H ILE A 69 5.891 -1.974 -7.170 1.00 0.00 H new ATOM 0 HA ILE A 69 4.841 -4.275 -5.798 1.00 0.00 H new ATOM 0 HB ILE A 69 5.174 -3.666 -8.724 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.826 -3.201 -6.859 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.849 -1.959 -7.553 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.420 -5.359 -9.033 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.897 -6.048 -8.319 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.477 -5.731 -7.294 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.763 -2.207 -8.861 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.173 -2.664 -9.846 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.134 -3.925 -9.142 1.00 0.00 H new ATOM 1030 N THR A 70 6.495 -6.041 -5.990 1.00 0.00 N ATOM 1031 CA THR A 70 7.528 -7.063 -5.970 1.00 0.00 C ATOM 1032 C THR A 70 7.120 -8.251 -6.844 1.00 0.00 C ATOM 1033 O THR A 70 7.906 -8.721 -7.665 1.00 0.00 O ATOM 1034 CB THR A 70 7.789 -7.443 -4.511 1.00 0.00 C ATOM 1035 OG1 THR A 70 6.607 -8.135 -4.116 1.00 0.00 O ATOM 1036 CG2 THR A 70 7.834 -6.225 -3.587 1.00 0.00 C ATOM 0 H THR A 70 5.675 -6.252 -5.422 1.00 0.00 H new ATOM 0 HA THR A 70 8.460 -6.692 -6.396 1.00 0.00 H new ATOM 0 HB THR A 70 8.731 -7.986 -4.441 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.868 -7.497 -4.030 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.022 -6.551 -2.564 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.632 -5.555 -3.907 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.880 -5.700 -3.631 1.00 0.00 H new ATOM 1044 N LYS A 71 5.892 -8.702 -6.638 1.00 0.00 N ATOM 1045 CA LYS A 71 5.370 -9.826 -7.397 1.00 0.00 C ATOM 1046 C LYS A 71 3.858 -9.662 -7.568 1.00 0.00 C ATOM 1047 O LYS A 71 3.203 -9.022 -6.747 1.00 0.00 O ATOM 1048 CB LYS A 71 5.775 -11.148 -6.743 1.00 0.00 C ATOM 1049 CG LYS A 71 5.504 -12.328 -7.678 1.00 0.00 C ATOM 1050 CD LYS A 71 6.574 -13.410 -7.520 1.00 0.00 C ATOM 1051 CE LYS A 71 7.172 -13.793 -8.875 1.00 0.00 C ATOM 1052 NZ LYS A 71 8.489 -14.444 -8.695 1.00 0.00 N ATOM 0 H LYS A 71 5.243 -8.310 -5.956 1.00 0.00 H new ATOM 0 HA LYS A 71 5.804 -9.845 -8.397 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.833 -11.120 -6.484 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.223 -11.282 -5.813 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.522 -12.749 -7.463 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.483 -11.981 -8.711 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.363 -13.052 -6.859 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.138 -14.291 -7.049 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.495 -14.467 -9.400 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.281 -12.904 -9.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.881 -14.697 -9.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.137 -13.789 -8.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.376 -15.304 -8.121 1.00 0.00 H new ATOM 1066 N VAL A 72 3.349 -10.252 -8.639 1.00 0.00 N ATOM 1067 CA VAL A 72 1.927 -10.180 -8.928 1.00 0.00 C ATOM 1068 C VAL A 72 1.397 -11.586 -9.217 1.00 0.00 C ATOM 1069 O VAL A 72 1.681 -12.156 -10.269 1.00 0.00 O ATOM 1070 CB VAL A 72 1.675 -9.199 -10.075 1.00 0.00 C ATOM 1071 CG1 VAL A 72 0.183 -8.894 -10.218 1.00 0.00 C ATOM 1072 CG2 VAL A 72 2.482 -7.913 -9.884 1.00 0.00 C ATOM 0 H VAL A 72 3.896 -10.782 -9.317 1.00 0.00 H new ATOM 0 HA VAL A 72 1.381 -9.798 -8.065 1.00 0.00 H new ATOM 0 HB VAL A 72 2.010 -9.671 -10.999 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.032 -8.194 -11.040 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.359 -9.817 -10.423 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.188 -8.453 -9.293 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.285 -7.233 -10.713 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.192 -7.437 -8.947 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.545 -8.151 -9.856 1.00 0.00 H new ATOM 1082 N LYS A 73 0.637 -12.105 -8.264 1.00 0.00 N ATOM 1083 CA LYS A 73 0.066 -13.434 -8.402 1.00 0.00 C ATOM 1084 C LYS A 73 -0.732 -13.507 -9.706 1.00 0.00 C ATOM 1085 O LYS A 73 -1.911 -13.158 -9.737 1.00 0.00 O ATOM 1086 CB LYS A 73 -0.750 -13.798 -7.161 1.00 0.00 C ATOM 1087 CG LYS A 73 -1.036 -15.301 -7.114 1.00 0.00 C ATOM 1088 CD LYS A 73 0.244 -16.094 -6.840 1.00 0.00 C ATOM 1089 CE LYS A 73 -0.062 -17.582 -6.660 1.00 0.00 C ATOM 1090 NZ LYS A 73 0.493 -18.074 -5.380 1.00 0.00 N ATOM 0 H LYS A 73 0.403 -11.629 -7.393 1.00 0.00 H new ATOM 0 HA LYS A 73 0.855 -14.183 -8.467 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.207 -13.499 -6.264 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.689 -13.245 -7.164 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.771 -15.511 -6.337 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.471 -15.622 -8.060 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.943 -15.960 -7.666 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.731 -15.708 -5.944 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.140 -17.743 -6.682 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.362 -18.149 -7.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.276 -19.086 -5.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.524 -17.938 -5.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.069 -17.545 -4.592 1.00 0.00 H new ATOM 1104 N LYS A 74 -0.057 -13.963 -10.751 1.00 0.00 N ATOM 1105 CA LYS A 74 -0.688 -14.087 -12.053 1.00 0.00 C ATOM 1106 C LYS A 74 -1.942 -14.955 -11.928 1.00 0.00 C ATOM 1107 O LYS A 74 -1.846 -16.170 -11.764 1.00 0.00 O ATOM 1108 CB LYS A 74 0.315 -14.602 -13.088 1.00 0.00 C ATOM 1109 CG LYS A 74 -0.138 -14.260 -14.509 1.00 0.00 C ATOM 1110 CD LYS A 74 -0.368 -15.529 -15.332 1.00 0.00 C ATOM 1111 CE LYS A 74 0.225 -15.387 -16.735 1.00 0.00 C ATOM 1112 NZ LYS A 74 -0.408 -16.349 -17.665 1.00 0.00 N ATOM 0 H LYS A 74 0.921 -14.251 -10.722 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.011 -13.110 -12.414 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.295 -14.163 -12.900 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.424 -15.682 -12.987 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.057 -13.676 -14.471 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.614 -13.639 -14.995 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.085 -16.382 -14.826 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.437 -15.732 -15.404 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.076 -14.370 -17.098 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.301 -15.559 -16.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.006 -16.239 -18.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.245 -17.318 -17.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.431 -16.166 -17.711 1.00 0.00 H new ATOM 1126 N GLY A 75 -3.089 -14.297 -12.009 1.00 0.00 N ATOM 1127 CA GLY A 75 -4.360 -14.993 -11.906 1.00 0.00 C ATOM 1128 C GLY A 75 -5.151 -14.513 -10.688 1.00 0.00 C ATOM 1129 O GLY A 75 -6.086 -15.180 -10.248 1.00 0.00 O ATOM 0 H GLY A 75 -3.165 -13.289 -12.145 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.944 -14.827 -12.811 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.186 -16.066 -11.831 1.00 0.00 H new ATOM 1133 N SER A 76 -4.747 -13.359 -10.177 1.00 0.00 N ATOM 1134 CA SER A 76 -5.407 -12.781 -9.018 1.00 0.00 C ATOM 1135 C SER A 76 -6.057 -11.449 -9.396 1.00 0.00 C ATOM 1136 O SER A 76 -6.031 -11.049 -10.559 1.00 0.00 O ATOM 1137 CB SER A 76 -4.421 -12.582 -7.866 1.00 0.00 C ATOM 1138 OG SER A 76 -5.069 -12.612 -6.597 1.00 0.00 O ATOM 0 H SER A 76 -3.971 -12.809 -10.544 1.00 0.00 H new ATOM 0 HA SER A 76 -6.180 -13.473 -8.684 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.659 -13.361 -7.902 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.908 -11.628 -7.989 1.00 0.00 H new ATOM 0 HG SER A 76 -5.255 -11.696 -6.303 1.00 0.00 H new ATOM 1144 N LEU A 77 -6.626 -10.799 -8.392 1.00 0.00 N ATOM 1145 CA LEU A 77 -7.283 -9.520 -8.604 1.00 0.00 C ATOM 1146 C LEU A 77 -6.303 -8.554 -9.274 1.00 0.00 C ATOM 1147 O LEU A 77 -6.478 -8.193 -10.437 1.00 0.00 O ATOM 1148 CB LEU A 77 -7.866 -8.993 -7.292 1.00 0.00 C ATOM 1149 CG LEU A 77 -9.324 -9.363 -7.009 1.00 0.00 C ATOM 1150 CD1 LEU A 77 -9.640 -9.244 -5.517 1.00 0.00 C ATOM 1151 CD2 LEU A 77 -10.278 -8.528 -7.866 1.00 0.00 C ATOM 0 H LEU A 77 -6.646 -11.134 -7.429 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.131 -9.634 -9.279 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.252 -9.362 -6.470 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.781 -7.906 -7.290 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.472 -10.407 -7.287 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -10.682 -9.512 -5.343 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.993 -9.916 -4.953 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.470 -8.218 -5.190 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.307 -8.811 -7.645 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.136 -7.471 -7.643 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.071 -8.707 -8.921 1.00 0.00 H new ATOM 1163 N ALA A 78 -5.293 -8.162 -8.511 1.00 0.00 N ATOM 1164 CA ALA A 78 -4.286 -7.245 -9.015 1.00 0.00 C ATOM 1165 C ALA A 78 -3.423 -7.963 -10.055 1.00 0.00 C ATOM 1166 O ALA A 78 -2.204 -8.041 -9.909 1.00 0.00 O ATOM 1167 CB ALA A 78 -3.460 -6.701 -7.848 1.00 0.00 C ATOM 0 H ALA A 78 -5.151 -8.463 -7.547 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.755 -6.393 -9.507 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.704 -6.013 -8.227 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.114 -6.175 -7.153 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.972 -7.527 -7.331 1.00 0.00 H new ATOM 1173 N ASP A 79 -4.090 -8.471 -11.081 1.00 0.00 N ATOM 1174 CA ASP A 79 -3.400 -9.180 -12.145 1.00 0.00 C ATOM 1175 C ASP A 79 -4.310 -9.262 -13.372 1.00 0.00 C ATOM 1176 O ASP A 79 -3.998 -8.697 -14.419 1.00 0.00 O ATOM 1177 CB ASP A 79 -3.051 -10.608 -11.719 1.00 0.00 C ATOM 1178 CG ASP A 79 -2.099 -10.712 -10.526 1.00 0.00 C ATOM 1179 OD1 ASP A 79 -2.539 -10.347 -9.415 1.00 0.00 O ATOM 1180 OD2 ASP A 79 -0.952 -11.155 -10.753 1.00 0.00 O ATOM 0 H ASP A 79 -5.101 -8.406 -11.198 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.483 -8.637 -12.372 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.974 -11.134 -11.475 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.604 -11.125 -12.568 1.00 0.00 H new ATOM 1185 N THR A 80 -5.417 -9.970 -13.202 1.00 0.00 N ATOM 1186 CA THR A 80 -6.374 -10.133 -14.282 1.00 0.00 C ATOM 1187 C THR A 80 -7.338 -8.945 -14.325 1.00 0.00 C ATOM 1188 O THR A 80 -7.932 -8.660 -15.363 1.00 0.00 O ATOM 1189 CB THR A 80 -7.077 -11.479 -14.093 1.00 0.00 C ATOM 1190 OG1 THR A 80 -8.007 -11.240 -13.040 1.00 0.00 O ATOM 1191 CG2 THR A 80 -6.143 -12.552 -13.529 1.00 0.00 C ATOM 0 H THR A 80 -5.672 -10.437 -12.332 1.00 0.00 H new ATOM 0 HA THR A 80 -5.877 -10.143 -15.252 1.00 0.00 H new ATOM 0 HB THR A 80 -7.482 -11.815 -15.048 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.524 -11.143 -12.193 1.00 0.00 H new ATOM 0 HG21 THR A 80 -6.691 -13.487 -13.414 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.307 -12.703 -14.212 1.00 0.00 H new ATOM 0 HG23 THR A 80 -5.765 -12.231 -12.558 1.00 0.00 H new ATOM 1199 N VAL A 81 -7.464 -8.285 -13.183 1.00 0.00 N ATOM 1200 CA VAL A 81 -8.345 -7.135 -13.076 1.00 0.00 C ATOM 1201 C VAL A 81 -7.505 -5.858 -13.013 1.00 0.00 C ATOM 1202 O VAL A 81 -7.867 -4.843 -13.606 1.00 0.00 O ATOM 1203 CB VAL A 81 -9.275 -7.299 -11.872 1.00 0.00 C ATOM 1204 CG1 VAL A 81 -9.952 -5.973 -11.518 1.00 0.00 C ATOM 1205 CG2 VAL A 81 -10.314 -8.393 -12.126 1.00 0.00 C ATOM 0 H VAL A 81 -6.970 -8.525 -12.323 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.984 -7.060 -13.956 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.668 -7.605 -11.020 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -10.608 -6.117 -10.659 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.192 -5.230 -11.274 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -10.539 -5.626 -12.368 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -10.962 -8.489 -11.255 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.914 -8.130 -12.997 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -9.807 -9.341 -12.307 1.00 0.00 H new ATOM 1215 N GLY A 82 -6.399 -5.951 -12.290 1.00 0.00 N ATOM 1216 CA GLY A 82 -5.504 -4.816 -12.142 1.00 0.00 C ATOM 1217 C GLY A 82 -4.558 -4.703 -13.340 1.00 0.00 C ATOM 1218 O GLY A 82 -4.391 -3.624 -13.904 1.00 0.00 O ATOM 0 H GLY A 82 -6.102 -6.795 -11.800 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.086 -3.899 -12.046 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.924 -4.923 -11.225 1.00 0.00 H new ATOM 1222 N HIS A 83 -3.964 -5.834 -13.691 1.00 0.00 N ATOM 1223 CA HIS A 83 -3.039 -5.877 -14.811 1.00 0.00 C ATOM 1224 C HIS A 83 -1.694 -5.282 -14.389 1.00 0.00 C ATOM 1225 O HIS A 83 -0.854 -4.974 -15.233 1.00 0.00 O ATOM 1226 CB HIS A 83 -3.636 -5.181 -16.036 1.00 0.00 C ATOM 1227 CG HIS A 83 -5.062 -5.579 -16.333 1.00 0.00 C ATOM 1228 ND1 HIS A 83 -6.220 -4.861 -16.266 1.00 0.00 N flip ATOM 1229 CD2 HIS A 83 -5.414 -6.850 -16.753 1.00 0.00 C flip ATOM 1230 CE1 HIS A 83 -7.225 -5.650 -16.627 1.00 0.00 C flip ATOM 1231 NE2 HIS A 83 -6.727 -6.884 -16.929 1.00 0.00 N flip ATOM 0 H HIS A 83 -4.105 -6.728 -13.220 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.864 -6.913 -15.103 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -3.594 -4.102 -15.885 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -3.018 -5.405 -16.906 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -4.734 -7.674 -16.911 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -8.265 -5.363 -16.674 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -7.270 -7.691 -17.236 1.00 0.00 H new ATOM 1239 N LEU A 84 -1.531 -5.137 -13.082 1.00 0.00 N ATOM 1240 CA LEU A 84 -0.303 -4.585 -12.537 1.00 0.00 C ATOM 1241 C LEU A 84 0.858 -5.531 -12.847 1.00 0.00 C ATOM 1242 O LEU A 84 0.655 -6.604 -13.414 1.00 0.00 O ATOM 1243 CB LEU A 84 -0.467 -4.280 -11.047 1.00 0.00 C ATOM 1244 CG LEU A 84 -1.665 -3.406 -10.668 1.00 0.00 C ATOM 1245 CD1 LEU A 84 -2.355 -3.937 -9.410 1.00 0.00 C ATOM 1246 CD2 LEU A 84 -1.249 -1.942 -10.519 1.00 0.00 C ATOM 0 H LEU A 84 -2.230 -5.393 -12.384 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.072 -3.631 -13.010 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.548 -5.225 -10.510 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.441 -3.790 -10.695 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.393 -3.453 -11.478 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.203 -3.298 -9.163 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.707 -4.953 -9.589 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.648 -3.939 -8.580 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.118 -1.342 -10.249 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.493 -1.856 -9.739 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.839 -1.582 -11.463 1.00 0.00 H new ATOM 1258 N ARG A 85 2.051 -5.099 -12.463 1.00 0.00 N ATOM 1259 CA ARG A 85 3.245 -5.894 -12.693 1.00 0.00 C ATOM 1260 C ARG A 85 4.317 -5.554 -11.657 1.00 0.00 C ATOM 1261 O ARG A 85 4.308 -4.466 -11.083 1.00 0.00 O ATOM 1262 CB ARG A 85 3.806 -5.653 -14.096 1.00 0.00 C ATOM 1263 CG ARG A 85 3.117 -6.552 -15.124 1.00 0.00 C ATOM 1264 CD ARG A 85 2.443 -5.719 -16.217 1.00 0.00 C ATOM 1265 NE ARG A 85 3.302 -5.674 -17.421 1.00 0.00 N ATOM 1266 CZ ARG A 85 4.161 -4.682 -17.695 1.00 0.00 C ATOM 1267 NH1 ARG A 85 4.280 -3.647 -16.853 1.00 0.00 N ATOM 1268 NH2 ARG A 85 4.900 -4.726 -18.812 1.00 0.00 N ATOM 0 H ARG A 85 2.216 -4.208 -11.994 1.00 0.00 H new ATOM 0 HA ARG A 85 2.967 -6.944 -12.601 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.668 -4.607 -14.372 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.879 -5.845 -14.100 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.848 -7.224 -15.573 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.374 -7.176 -14.627 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.473 -6.149 -16.468 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.259 -4.708 -15.854 1.00 0.00 H new ATOM 0 HE ARG A 85 3.236 -6.446 -18.084 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.717 -3.614 -16.003 1.00 0.00 H new ATOM 0 HH12 ARG A 85 4.934 -2.892 -17.062 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.809 -5.514 -19.453 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.554 -3.971 -19.021 1.00 0.00 H new ATOM 1282 N PRO A 86 5.240 -6.529 -11.443 1.00 0.00 N ATOM 1283 CA PRO A 86 6.318 -6.343 -10.486 1.00 0.00 C ATOM 1284 C PRO A 86 7.389 -5.403 -11.042 1.00 0.00 C ATOM 1285 O PRO A 86 8.144 -5.777 -11.938 1.00 0.00 O ATOM 1286 CB PRO A 86 6.842 -7.743 -10.207 1.00 0.00 C ATOM 1287 CG PRO A 86 6.356 -8.607 -11.359 1.00 0.00 C ATOM 1288 CD PRO A 86 5.283 -7.830 -12.104 1.00 0.00 C ATOM 0 HA PRO A 86 5.985 -5.866 -9.564 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.930 -7.748 -10.147 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.469 -8.117 -9.254 1.00 0.00 H new ATOM 0 HG2 PRO A 86 7.182 -8.853 -12.026 1.00 0.00 H new ATOM 0 HG3 PRO A 86 5.955 -9.550 -10.987 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.529 -7.729 -13.161 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.318 -8.334 -12.048 1.00 0.00 H new ATOM 1296 N GLY A 87 7.421 -4.201 -10.486 1.00 0.00 N ATOM 1297 CA GLY A 87 8.388 -3.204 -10.915 1.00 0.00 C ATOM 1298 C GLY A 87 7.773 -1.803 -10.902 1.00 0.00 C ATOM 1299 O GLY A 87 8.490 -0.806 -10.971 1.00 0.00 O ATOM 0 H GLY A 87 6.793 -3.895 -9.743 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.258 -3.229 -10.258 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.740 -3.441 -11.919 1.00 0.00 H new ATOM 1303 N ASP A 88 6.452 -1.772 -10.813 1.00 0.00 N ATOM 1304 CA ASP A 88 5.732 -0.510 -10.790 1.00 0.00 C ATOM 1305 C ASP A 88 5.830 0.102 -9.391 1.00 0.00 C ATOM 1306 O ASP A 88 6.191 -0.581 -8.435 1.00 0.00 O ATOM 1307 CB ASP A 88 4.251 -0.714 -11.114 1.00 0.00 C ATOM 1308 CG ASP A 88 3.812 -0.198 -12.486 1.00 0.00 C ATOM 1309 OD1 ASP A 88 4.387 0.825 -12.918 1.00 0.00 O ATOM 1310 OD2 ASP A 88 2.912 -0.838 -13.072 1.00 0.00 O ATOM 0 H ASP A 88 5.861 -2.601 -10.756 1.00 0.00 H new ATOM 0 HA ASP A 88 6.177 0.146 -11.538 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.025 -1.779 -11.053 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.655 -0.217 -10.348 1.00 0.00 H new ATOM 1315 N GLU A 89 5.502 1.384 -9.317 1.00 0.00 N ATOM 1316 CA GLU A 89 5.549 2.096 -8.051 1.00 0.00 C ATOM 1317 C GLU A 89 4.143 2.539 -7.640 1.00 0.00 C ATOM 1318 O GLU A 89 3.544 3.397 -8.287 1.00 0.00 O ATOM 1319 CB GLU A 89 6.500 3.292 -8.130 1.00 0.00 C ATOM 1320 CG GLU A 89 6.616 3.990 -6.773 1.00 0.00 C ATOM 1321 CD GLU A 89 7.662 5.105 -6.818 1.00 0.00 C ATOM 1322 OE1 GLU A 89 7.584 5.919 -7.764 1.00 0.00 O ATOM 1323 OE2 GLU A 89 8.517 5.119 -5.906 1.00 0.00 O ATOM 0 H GLU A 89 5.203 1.948 -10.113 1.00 0.00 H new ATOM 0 HA GLU A 89 5.933 1.419 -7.288 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.485 2.957 -8.456 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.140 3.999 -8.877 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.649 4.405 -6.490 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.887 3.263 -6.008 1.00 0.00 H new ATOM 1330 N VAL A 90 3.658 1.934 -6.565 1.00 0.00 N ATOM 1331 CA VAL A 90 2.334 2.255 -6.060 1.00 0.00 C ATOM 1332 C VAL A 90 2.393 3.579 -5.294 1.00 0.00 C ATOM 1333 O VAL A 90 2.789 3.609 -4.130 1.00 0.00 O ATOM 1334 CB VAL A 90 1.802 1.098 -5.213 1.00 0.00 C ATOM 1335 CG1 VAL A 90 0.333 1.317 -4.845 1.00 0.00 C ATOM 1336 CG2 VAL A 90 1.994 -0.240 -5.931 1.00 0.00 C ATOM 0 H VAL A 90 4.158 1.224 -6.030 1.00 0.00 H new ATOM 0 HA VAL A 90 1.632 2.386 -6.884 1.00 0.00 H new ATOM 0 HB VAL A 90 2.378 1.068 -4.288 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.020 0.480 -4.243 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.235 2.241 -4.275 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.263 1.387 -5.755 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.608 -1.046 -5.308 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.456 -0.225 -6.879 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.055 -0.403 -6.119 1.00 0.00 H new ATOM 1346 N LEU A 91 1.993 4.640 -5.978 1.00 0.00 N ATOM 1347 CA LEU A 91 1.995 5.963 -5.377 1.00 0.00 C ATOM 1348 C LEU A 91 1.010 5.988 -4.207 1.00 0.00 C ATOM 1349 O LEU A 91 1.397 6.259 -3.071 1.00 0.00 O ATOM 1350 CB LEU A 91 1.720 7.033 -6.435 1.00 0.00 C ATOM 1351 CG LEU A 91 2.883 7.365 -7.372 1.00 0.00 C ATOM 1352 CD1 LEU A 91 3.826 8.388 -6.734 1.00 0.00 C ATOM 1353 CD2 LEU A 91 3.621 6.095 -7.801 1.00 0.00 C ATOM 0 H LEU A 91 1.665 4.611 -6.943 1.00 0.00 H new ATOM 0 HA LEU A 91 2.980 6.195 -4.971 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.873 6.708 -7.040 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.416 7.948 -5.927 1.00 0.00 H new ATOM 0 HG LEU A 91 2.476 7.821 -8.274 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.644 8.607 -7.421 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.277 9.305 -6.520 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.230 7.982 -5.806 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.443 6.359 -8.466 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.016 5.588 -6.920 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.931 5.432 -8.322 1.00 0.00 H new ATOM 1365 N GLU A 92 -0.244 5.701 -4.524 1.00 0.00 N ATOM 1366 CA GLU A 92 -1.287 5.687 -3.513 1.00 0.00 C ATOM 1367 C GLU A 92 -1.939 4.305 -3.441 1.00 0.00 C ATOM 1368 O GLU A 92 -1.702 3.458 -4.301 1.00 0.00 O ATOM 1369 CB GLU A 92 -2.331 6.772 -3.787 1.00 0.00 C ATOM 1370 CG GLU A 92 -1.665 8.134 -3.992 1.00 0.00 C ATOM 1371 CD GLU A 92 -2.251 8.852 -5.210 1.00 0.00 C ATOM 1372 OE1 GLU A 92 -3.487 9.035 -5.221 1.00 0.00 O ATOM 1373 OE2 GLU A 92 -1.448 9.202 -6.102 1.00 0.00 O ATOM 0 H GLU A 92 -0.561 5.476 -5.467 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.831 5.903 -2.547 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.910 6.509 -4.672 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.031 6.827 -2.953 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.803 8.748 -3.102 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.591 8.002 -4.125 1.00 0.00 H new ATOM 1380 N TRP A 93 -2.748 4.120 -2.408 1.00 0.00 N ATOM 1381 CA TRP A 93 -3.435 2.854 -2.213 1.00 0.00 C ATOM 1382 C TRP A 93 -4.750 3.138 -1.484 1.00 0.00 C ATOM 1383 O TRP A 93 -4.784 3.185 -0.255 1.00 0.00 O ATOM 1384 CB TRP A 93 -2.544 1.855 -1.473 1.00 0.00 C ATOM 1385 CG TRP A 93 -3.207 0.498 -1.222 1.00 0.00 C ATOM 1386 CD1 TRP A 93 -4.228 0.218 -0.402 1.00 0.00 C ATOM 1387 CD2 TRP A 93 -2.849 -0.759 -1.833 1.00 0.00 C ATOM 1388 NE1 TRP A 93 -4.554 -1.122 -0.439 1.00 0.00 N ATOM 1389 CE2 TRP A 93 -3.689 -1.735 -1.337 1.00 0.00 C ATOM 1390 CE3 TRP A 93 -1.849 -1.062 -2.774 1.00 0.00 C ATOM 1391 CZ2 TRP A 93 -3.614 -3.079 -1.723 1.00 0.00 C ATOM 1392 CZ3 TRP A 93 -1.787 -2.409 -3.149 1.00 0.00 C ATOM 1393 CH2 TRP A 93 -2.625 -3.404 -2.659 1.00 0.00 C ATOM 0 H TRP A 93 -2.943 4.825 -1.697 1.00 0.00 H new ATOM 0 HA TRP A 93 -3.662 2.386 -3.171 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -1.631 1.701 -2.049 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -2.248 2.286 -0.517 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -4.733 0.950 0.211 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -5.294 -1.579 0.095 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -1.181 -0.314 -3.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -4.283 -3.825 -1.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -1.035 -2.695 -3.870 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -2.514 -4.423 -2.999 1.00 0.00 H new ATOM 1404 N ASN A 94 -5.799 3.321 -2.271 1.00 0.00 N ATOM 1405 CA ASN A 94 -7.113 3.598 -1.716 1.00 0.00 C ATOM 1406 C ASN A 94 -7.187 5.071 -1.306 1.00 0.00 C ATOM 1407 O ASN A 94 -8.080 5.466 -0.558 1.00 0.00 O ATOM 1408 CB ASN A 94 -7.376 2.748 -0.472 1.00 0.00 C ATOM 1409 CG ASN A 94 -8.761 2.101 -0.532 1.00 0.00 C ATOM 1410 OD1 ASN A 94 -9.664 2.569 -1.207 1.00 0.00 O ATOM 1411 ND2 ASN A 94 -8.878 1.003 0.209 1.00 0.00 N ATOM 0 H ASN A 94 -5.766 3.283 -3.290 1.00 0.00 H new ATOM 0 HA ASN A 94 -7.857 3.363 -2.477 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -6.613 1.974 -0.388 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -7.299 3.370 0.420 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.764 0.498 0.236 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -8.082 0.666 0.750 1.00 0.00 H new ATOM 1418 N GLY A 95 -6.238 5.842 -1.815 1.00 0.00 N ATOM 1419 CA GLY A 95 -6.185 7.262 -1.512 1.00 0.00 C ATOM 1420 C GLY A 95 -5.077 7.566 -0.501 1.00 0.00 C ATOM 1421 O GLY A 95 -4.787 8.729 -0.223 1.00 0.00 O ATOM 0 H GLY A 95 -5.499 5.510 -2.435 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.011 7.827 -2.428 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.146 7.589 -1.113 1.00 0.00 H new ATOM 1425 N ARG A 96 -4.489 6.500 0.022 1.00 0.00 N ATOM 1426 CA ARG A 96 -3.420 6.638 0.996 1.00 0.00 C ATOM 1427 C ARG A 96 -2.072 6.788 0.287 1.00 0.00 C ATOM 1428 O ARG A 96 -1.637 5.884 -0.425 1.00 0.00 O ATOM 1429 CB ARG A 96 -3.365 5.427 1.930 1.00 0.00 C ATOM 1430 CG ARG A 96 -4.484 5.487 2.972 1.00 0.00 C ATOM 1431 CD ARG A 96 -3.915 5.718 4.373 1.00 0.00 C ATOM 1432 NE ARG A 96 -4.622 4.863 5.353 1.00 0.00 N ATOM 1433 CZ ARG A 96 -4.547 5.022 6.681 1.00 0.00 C ATOM 1434 NH1 ARG A 96 -3.795 6.005 7.197 1.00 0.00 N ATOM 1435 NH2 ARG A 96 -5.222 4.199 7.495 1.00 0.00 N ATOM 0 H ARG A 96 -4.733 5.537 -0.210 1.00 0.00 H new ATOM 0 HA ARG A 96 -3.625 7.530 1.588 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.454 4.510 1.348 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -2.398 5.394 2.431 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.178 6.289 2.720 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.052 4.557 2.955 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -2.849 5.492 4.383 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -4.021 6.767 4.649 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.203 4.105 4.995 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -3.280 6.632 6.578 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -3.738 6.126 8.208 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.794 3.450 7.104 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.164 4.321 8.506 1.00 0.00 H new ATOM 1449 N LEU A 97 -1.448 7.936 0.507 1.00 0.00 N ATOM 1450 CA LEU A 97 -0.159 8.216 -0.102 1.00 0.00 C ATOM 1451 C LEU A 97 0.901 7.301 0.515 1.00 0.00 C ATOM 1452 O LEU A 97 1.039 7.241 1.736 1.00 0.00 O ATOM 1453 CB LEU A 97 0.174 9.705 0.009 1.00 0.00 C ATOM 1454 CG LEU A 97 1.338 10.198 -0.854 1.00 0.00 C ATOM 1455 CD1 LEU A 97 0.891 10.424 -2.300 1.00 0.00 C ATOM 1456 CD2 LEU A 97 1.976 11.450 -0.249 1.00 0.00 C ATOM 0 H LEU A 97 -1.811 8.683 1.099 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.187 7.998 -1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.716 10.277 -0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.400 9.930 1.051 1.00 0.00 H new ATOM 0 HG LEU A 97 2.104 9.422 -0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.737 10.774 -2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.519 9.488 -2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.098 11.171 -2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.800 11.780 -0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.230 12.242 -0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.352 11.221 0.748 1.00 0.00 H new ATOM 1468 N LEU A 98 1.622 6.612 -0.357 1.00 0.00 N ATOM 1469 CA LEU A 98 2.665 5.703 0.087 1.00 0.00 C ATOM 1470 C LEU A 98 4.013 6.427 0.058 1.00 0.00 C ATOM 1471 O LEU A 98 4.982 5.966 0.658 1.00 0.00 O ATOM 1472 CB LEU A 98 2.641 4.415 -0.738 1.00 0.00 C ATOM 1473 CG LEU A 98 1.278 3.736 -0.882 1.00 0.00 C ATOM 1474 CD1 LEU A 98 1.422 2.342 -1.495 1.00 0.00 C ATOM 1475 CD2 LEU A 98 0.540 3.699 0.458 1.00 0.00 C ATOM 0 H LEU A 98 1.505 6.665 -1.369 1.00 0.00 H new ATOM 0 HA LEU A 98 2.489 5.397 1.118 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.020 4.639 -1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.333 3.704 -0.286 1.00 0.00 H new ATOM 0 HG LEU A 98 0.672 4.328 -1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.438 1.881 -1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.877 2.424 -2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.053 1.726 -0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.426 3.211 0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.132 3.143 1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.387 4.717 0.817 1.00 0.00 H new ATOM 1487 N GLN A 99 4.030 7.550 -0.645 1.00 0.00 N ATOM 1488 CA GLN A 99 5.242 8.342 -0.760 1.00 0.00 C ATOM 1489 C GLN A 99 5.647 8.895 0.608 1.00 0.00 C ATOM 1490 O GLN A 99 4.921 9.693 1.198 1.00 0.00 O ATOM 1491 CB GLN A 99 5.065 9.471 -1.777 1.00 0.00 C ATOM 1492 CG GLN A 99 5.451 9.008 -3.184 1.00 0.00 C ATOM 1493 CD GLN A 99 5.440 10.179 -4.169 1.00 0.00 C ATOM 1494 OE1 GLN A 99 4.929 11.252 -3.892 1.00 0.00 O ATOM 1495 NE2 GLN A 99 6.031 9.914 -5.331 1.00 0.00 N ATOM 0 H GLN A 99 3.223 7.930 -1.141 1.00 0.00 H new ATOM 0 HA GLN A 99 6.042 7.695 -1.120 1.00 0.00 H new ATOM 0 HB2 GLN A 99 4.029 9.809 -1.773 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.680 10.324 -1.490 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.442 8.555 -3.163 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.757 8.238 -3.521 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.439 8.994 -5.498 1.00 0.00 H new ATOM 0 HE22 GLN A 99 6.076 10.631 -6.055 1.00 0.00 H new ATOM 1504 N GLY A 100 6.805 8.449 1.072 1.00 0.00 N ATOM 1505 CA GLY A 100 7.315 8.889 2.359 1.00 0.00 C ATOM 1506 C GLY A 100 6.889 7.932 3.474 1.00 0.00 C ATOM 1507 O GLY A 100 7.489 7.918 4.548 1.00 0.00 O ATOM 0 H GLY A 100 7.405 7.787 0.579 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.403 8.949 2.322 1.00 0.00 H new ATOM 0 HA3 GLY A 100 6.948 9.892 2.576 1.00 0.00 H new ATOM 1511 N ALA A 101 5.858 7.154 3.180 1.00 0.00 N ATOM 1512 CA ALA A 101 5.345 6.195 4.144 1.00 0.00 C ATOM 1513 C ALA A 101 6.396 5.109 4.385 1.00 0.00 C ATOM 1514 O ALA A 101 7.091 4.696 3.458 1.00 0.00 O ATOM 1515 CB ALA A 101 4.019 5.622 3.640 1.00 0.00 C ATOM 0 H ALA A 101 5.364 7.168 2.288 1.00 0.00 H new ATOM 0 HA ALA A 101 5.147 6.680 5.100 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.635 4.903 4.364 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.298 6.430 3.514 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.178 5.124 2.683 1.00 0.00 H new ATOM 1521 N THR A 102 6.478 4.677 5.635 1.00 0.00 N ATOM 1522 CA THR A 102 7.432 3.646 6.009 1.00 0.00 C ATOM 1523 C THR A 102 6.881 2.260 5.667 1.00 0.00 C ATOM 1524 O THR A 102 5.703 2.119 5.342 1.00 0.00 O ATOM 1525 CB THR A 102 7.758 3.821 7.494 1.00 0.00 C ATOM 1526 OG1 THR A 102 6.674 3.185 8.165 1.00 0.00 O ATOM 1527 CG2 THR A 102 7.670 5.281 7.945 1.00 0.00 C ATOM 0 H THR A 102 5.900 5.022 6.401 1.00 0.00 H new ATOM 0 HA THR A 102 8.359 3.741 5.444 1.00 0.00 H new ATOM 0 HB THR A 102 8.759 3.439 7.693 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.806 3.250 9.134 1.00 0.00 H new ATOM 0 HG21 THR A 102 7.910 5.349 9.006 1.00 0.00 H new ATOM 0 HG22 THR A 102 8.377 5.882 7.373 1.00 0.00 H new ATOM 0 HG23 THR A 102 6.659 5.653 7.777 1.00 0.00 H new ATOM 1535 N PHE A 103 7.760 1.272 5.752 1.00 0.00 N ATOM 1536 CA PHE A 103 7.377 -0.097 5.456 1.00 0.00 C ATOM 1537 C PHE A 103 6.035 -0.444 6.104 1.00 0.00 C ATOM 1538 O PHE A 103 5.151 -0.997 5.451 1.00 0.00 O ATOM 1539 CB PHE A 103 8.462 -1.002 6.043 1.00 0.00 C ATOM 1540 CG PHE A 103 8.177 -2.497 5.887 1.00 0.00 C ATOM 1541 CD1 PHE A 103 7.465 -3.157 6.840 1.00 0.00 C ATOM 1542 CD2 PHE A 103 8.635 -3.167 4.795 1.00 0.00 C ATOM 1543 CE1 PHE A 103 7.201 -4.545 6.696 1.00 0.00 C ATOM 1544 CE2 PHE A 103 8.370 -4.555 4.651 1.00 0.00 C ATOM 1545 CZ PHE A 103 7.659 -5.214 5.604 1.00 0.00 C ATOM 0 H PHE A 103 8.736 1.393 6.022 1.00 0.00 H new ATOM 0 HA PHE A 103 7.275 -0.230 4.379 1.00 0.00 H new ATOM 0 HB2 PHE A 103 9.412 -0.772 5.562 1.00 0.00 H new ATOM 0 HB3 PHE A 103 8.578 -0.773 7.102 1.00 0.00 H new ATOM 0 HD1 PHE A 103 7.100 -2.625 7.706 1.00 0.00 H new ATOM 0 HD2 PHE A 103 9.200 -2.644 4.038 1.00 0.00 H new ATOM 0 HE1 PHE A 103 6.637 -5.069 7.453 1.00 0.00 H new ATOM 0 HE2 PHE A 103 8.733 -5.087 3.784 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.458 -6.269 5.494 1.00 0.00 H new ATOM 1555 N GLU A 104 5.925 -0.104 7.380 1.00 0.00 N ATOM 1556 CA GLU A 104 4.706 -0.372 8.123 1.00 0.00 C ATOM 1557 C GLU A 104 3.544 0.440 7.548 1.00 0.00 C ATOM 1558 O GLU A 104 2.532 -0.124 7.134 1.00 0.00 O ATOM 1559 CB GLU A 104 4.896 -0.079 9.612 1.00 0.00 C ATOM 1560 CG GLU A 104 5.899 -1.049 10.239 1.00 0.00 C ATOM 1561 CD GLU A 104 5.339 -1.663 11.524 1.00 0.00 C ATOM 1562 OE1 GLU A 104 4.555 -2.628 11.398 1.00 0.00 O ATOM 1563 OE2 GLU A 104 5.708 -1.152 12.604 1.00 0.00 O ATOM 0 H GLU A 104 6.660 0.355 7.918 1.00 0.00 H new ATOM 0 HA GLU A 104 4.468 -1.431 8.022 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.245 0.945 9.743 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.938 -0.158 10.127 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.138 -1.840 9.528 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.829 -0.525 10.458 1.00 0.00 H new ATOM 1570 N GLU A 105 3.728 1.752 7.541 1.00 0.00 N ATOM 1571 CA GLU A 105 2.707 2.648 7.023 1.00 0.00 C ATOM 1572 C GLU A 105 2.048 2.042 5.783 1.00 0.00 C ATOM 1573 O GLU A 105 0.823 1.946 5.711 1.00 0.00 O ATOM 1574 CB GLU A 105 3.294 4.027 6.713 1.00 0.00 C ATOM 1575 CG GLU A 105 3.320 4.906 7.965 1.00 0.00 C ATOM 1576 CD GLU A 105 3.564 6.372 7.601 1.00 0.00 C ATOM 1577 OE1 GLU A 105 2.949 6.820 6.609 1.00 0.00 O ATOM 1578 OE2 GLU A 105 4.359 7.011 8.323 1.00 0.00 O ATOM 0 H GLU A 105 4.568 2.216 7.885 1.00 0.00 H new ATOM 0 HA GLU A 105 1.943 2.778 7.789 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.305 3.916 6.321 1.00 0.00 H new ATOM 0 HB3 GLU A 105 2.703 4.512 5.936 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.374 4.813 8.499 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.103 4.560 8.640 1.00 0.00 H new ATOM 1585 N VAL A 106 2.888 1.648 4.838 1.00 0.00 N ATOM 1586 CA VAL A 106 2.402 1.053 3.605 1.00 0.00 C ATOM 1587 C VAL A 106 1.563 -0.183 3.935 1.00 0.00 C ATOM 1588 O VAL A 106 0.430 -0.310 3.474 1.00 0.00 O ATOM 1589 CB VAL A 106 3.576 0.747 2.673 1.00 0.00 C ATOM 1590 CG1 VAL A 106 3.105 -0.001 1.424 1.00 0.00 C ATOM 1591 CG2 VAL A 106 4.325 2.027 2.295 1.00 0.00 C ATOM 0 H VAL A 106 3.903 1.729 4.901 1.00 0.00 H new ATOM 0 HA VAL A 106 1.756 1.752 3.074 1.00 0.00 H new ATOM 0 HB VAL A 106 4.269 0.099 3.210 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.959 -0.206 0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.638 -0.941 1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.382 0.611 0.885 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.155 1.781 1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.645 2.710 1.787 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.710 2.503 3.197 1.00 0.00 H new ATOM 1601 N TYR A 107 2.152 -1.062 4.732 1.00 0.00 N ATOM 1602 CA TYR A 107 1.473 -2.283 5.130 1.00 0.00 C ATOM 1603 C TYR A 107 0.162 -1.971 5.856 1.00 0.00 C ATOM 1604 O TYR A 107 -0.875 -2.559 5.553 1.00 0.00 O ATOM 1605 CB TYR A 107 2.420 -2.997 6.097 1.00 0.00 C ATOM 1606 CG TYR A 107 1.780 -4.170 6.843 1.00 0.00 C ATOM 1607 CD1 TYR A 107 0.922 -3.932 7.897 1.00 0.00 C ATOM 1608 CD2 TYR A 107 2.062 -5.466 6.462 1.00 0.00 C ATOM 1609 CE1 TYR A 107 0.320 -5.036 8.599 1.00 0.00 C ATOM 1610 CE2 TYR A 107 1.460 -6.570 7.163 1.00 0.00 C ATOM 1611 CZ TYR A 107 0.619 -6.300 8.197 1.00 0.00 C ATOM 1612 OH TYR A 107 0.050 -7.343 8.860 1.00 0.00 O ATOM 0 H TYR A 107 3.092 -0.953 5.113 1.00 0.00 H new ATOM 0 HA TYR A 107 1.232 -2.889 4.257 1.00 0.00 H new ATOM 0 HB2 TYR A 107 3.284 -3.361 5.541 1.00 0.00 H new ATOM 0 HB3 TYR A 107 2.791 -2.276 6.825 1.00 0.00 H new ATOM 0 HD1 TYR A 107 0.702 -2.918 8.196 1.00 0.00 H new ATOM 0 HD2 TYR A 107 2.735 -5.652 5.638 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -0.353 -4.864 9.426 1.00 0.00 H new ATOM 0 HE2 TYR A 107 1.671 -7.589 6.874 1.00 0.00 H new ATOM 0 HH TYR A 107 0.353 -8.187 8.464 1.00 0.00 H new ATOM 1622 N ASN A 108 0.252 -1.045 6.800 1.00 0.00 N ATOM 1623 CA ASN A 108 -0.913 -0.647 7.571 1.00 0.00 C ATOM 1624 C ASN A 108 -2.074 -0.354 6.618 1.00 0.00 C ATOM 1625 O ASN A 108 -3.214 -0.728 6.889 1.00 0.00 O ATOM 1626 CB ASN A 108 -0.633 0.621 8.378 1.00 0.00 C ATOM 1627 CG ASN A 108 0.034 0.285 9.714 1.00 0.00 C ATOM 1628 OD1 ASN A 108 -0.532 -0.374 10.571 1.00 0.00 O ATOM 1629 ND2 ASN A 108 1.264 0.773 9.843 1.00 0.00 N ATOM 0 H ASN A 108 1.114 -0.559 7.048 1.00 0.00 H new ATOM 0 HA ASN A 108 -1.160 -1.461 8.253 1.00 0.00 H new ATOM 0 HB2 ASN A 108 0.011 1.287 7.804 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -1.566 1.156 8.557 1.00 0.00 H new ATOM 0 HD21 ASN A 108 1.793 0.603 10.699 1.00 0.00 H new ATOM 0 HD22 ASN A 108 1.679 1.317 9.086 1.00 0.00 H new ATOM 1636 N ILE A 109 -1.744 0.313 5.522 1.00 0.00 N ATOM 1637 CA ILE A 109 -2.744 0.661 4.527 1.00 0.00 C ATOM 1638 C ILE A 109 -3.405 -0.617 4.006 1.00 0.00 C ATOM 1639 O ILE A 109 -4.564 -0.890 4.312 1.00 0.00 O ATOM 1640 CB ILE A 109 -2.128 1.527 3.427 1.00 0.00 C ATOM 1641 CG1 ILE A 109 -1.627 2.857 3.993 1.00 0.00 C ATOM 1642 CG2 ILE A 109 -3.112 1.730 2.273 1.00 0.00 C ATOM 1643 CD1 ILE A 109 -0.396 3.349 3.229 1.00 0.00 C ATOM 0 H ILE A 109 -0.797 0.622 5.301 1.00 0.00 H new ATOM 0 HA ILE A 109 -3.531 1.268 4.975 1.00 0.00 H new ATOM 0 HB ILE A 109 -1.262 1.002 3.023 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -2.419 3.603 3.933 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -1.381 2.738 5.048 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -2.649 2.349 1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.378 0.762 1.848 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -4.011 2.223 2.644 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -0.060 4.296 3.651 1.00 0.00 H new ATOM 0 HD12 ILE A 109 0.402 2.611 3.312 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.652 3.491 2.179 1.00 0.00 H new ATOM 1655 N ILE A 110 -2.638 -1.366 3.227 1.00 0.00 N ATOM 1656 CA ILE A 110 -3.135 -2.608 2.660 1.00 0.00 C ATOM 1657 C ILE A 110 -3.818 -3.427 3.757 1.00 0.00 C ATOM 1658 O ILE A 110 -4.871 -4.021 3.529 1.00 0.00 O ATOM 1659 CB ILE A 110 -2.009 -3.358 1.944 1.00 0.00 C ATOM 1660 CG1 ILE A 110 -1.609 -2.642 0.652 1.00 0.00 C ATOM 1661 CG2 ILE A 110 -2.394 -4.818 1.695 1.00 0.00 C ATOM 1662 CD1 ILE A 110 -0.118 -2.299 0.654 1.00 0.00 C ATOM 0 H ILE A 110 -1.677 -1.137 2.975 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.887 -2.405 1.898 1.00 0.00 H new ATOM 0 HB ILE A 110 -1.134 -3.363 2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -1.839 -3.275 -0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -2.195 -1.730 0.541 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -1.577 -5.328 1.185 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.591 -5.310 2.648 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.289 -4.857 1.075 1.00 0.00 H new ATOM 0 HD11 ILE A 110 0.140 -1.791 -0.275 1.00 0.00 H new ATOM 0 HD12 ILE A 110 0.104 -1.646 1.498 1.00 0.00 H new ATOM 0 HD13 ILE A 110 0.466 -3.215 0.741 1.00 0.00 H new ATOM 1674 N LEU A 111 -3.190 -3.434 4.924 1.00 0.00 N ATOM 1675 CA LEU A 111 -3.725 -4.170 6.057 1.00 0.00 C ATOM 1676 C LEU A 111 -5.055 -3.545 6.485 1.00 0.00 C ATOM 1677 O LEU A 111 -5.961 -4.249 6.928 1.00 0.00 O ATOM 1678 CB LEU A 111 -2.691 -4.245 7.183 1.00 0.00 C ATOM 1679 CG LEU A 111 -3.182 -4.836 8.506 1.00 0.00 C ATOM 1680 CD1 LEU A 111 -3.866 -3.768 9.363 1.00 0.00 C ATOM 1681 CD2 LEU A 111 -4.089 -6.044 8.264 1.00 0.00 C ATOM 0 H LEU A 111 -2.316 -2.942 5.109 1.00 0.00 H new ATOM 0 HA LEU A 111 -3.933 -5.202 5.776 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.846 -4.838 6.834 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.317 -3.239 7.374 1.00 0.00 H new ATOM 0 HG LEU A 111 -2.316 -5.191 9.064 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.206 -4.214 10.298 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.159 -2.967 9.579 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -4.721 -3.361 8.823 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.424 -6.445 9.221 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.954 -5.737 7.676 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.536 -6.812 7.723 1.00 0.00 H new ATOM 1693 N GLU A 112 -5.129 -2.231 6.336 1.00 0.00 N ATOM 1694 CA GLU A 112 -6.333 -1.504 6.701 1.00 0.00 C ATOM 1695 C GLU A 112 -7.405 -1.676 5.623 1.00 0.00 C ATOM 1696 O GLU A 112 -8.596 -1.549 5.901 1.00 0.00 O ATOM 1697 CB GLU A 112 -6.028 -0.023 6.939 1.00 0.00 C ATOM 1698 CG GLU A 112 -5.504 0.207 8.358 1.00 0.00 C ATOM 1699 CD GLU A 112 -6.487 1.047 9.176 1.00 0.00 C ATOM 1700 OE1 GLU A 112 -7.705 0.872 8.953 1.00 0.00 O ATOM 1701 OE2 GLU A 112 -5.999 1.844 10.006 1.00 0.00 O ATOM 0 H GLU A 112 -4.375 -1.651 5.968 1.00 0.00 H new ATOM 0 HA GLU A 112 -6.715 -1.918 7.634 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.290 0.321 6.215 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -6.930 0.568 6.780 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.343 -0.752 8.850 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.538 0.710 8.316 1.00 0.00 H new ATOM 1708 N SER A 113 -6.943 -1.963 4.415 1.00 0.00 N ATOM 1709 CA SER A 113 -7.847 -2.155 3.294 1.00 0.00 C ATOM 1710 C SER A 113 -8.102 -3.647 3.076 1.00 0.00 C ATOM 1711 O SER A 113 -8.457 -4.066 1.975 1.00 0.00 O ATOM 1712 CB SER A 113 -7.287 -1.520 2.020 1.00 0.00 C ATOM 1713 OG SER A 113 -7.066 -0.121 2.172 1.00 0.00 O ATOM 0 H SER A 113 -5.954 -2.067 4.188 1.00 0.00 H new ATOM 0 HA SER A 113 -8.791 -1.663 3.528 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.349 -2.008 1.754 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.980 -1.690 1.196 1.00 0.00 H new ATOM 0 HG SER A 113 -6.326 0.027 2.797 1.00 0.00 H new ATOM 1719 N LYS A 114 -7.910 -4.410 4.142 1.00 0.00 N ATOM 1720 CA LYS A 114 -8.114 -5.847 4.081 1.00 0.00 C ATOM 1721 C LYS A 114 -9.612 -6.141 3.977 1.00 0.00 C ATOM 1722 O LYS A 114 -10.049 -6.840 3.064 1.00 0.00 O ATOM 1723 CB LYS A 114 -7.433 -6.536 5.266 1.00 0.00 C ATOM 1724 CG LYS A 114 -6.125 -7.202 4.835 1.00 0.00 C ATOM 1725 CD LYS A 114 -5.540 -8.046 5.970 1.00 0.00 C ATOM 1726 CE LYS A 114 -6.317 -9.353 6.138 1.00 0.00 C ATOM 1727 NZ LYS A 114 -6.587 -9.614 7.570 1.00 0.00 N ATOM 0 H LYS A 114 -7.615 -4.060 5.053 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.644 -6.261 3.189 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -7.232 -5.806 6.050 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.103 -7.283 5.691 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.303 -7.832 3.963 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -5.406 -6.440 4.536 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -4.493 -8.266 5.762 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -5.568 -7.480 6.901 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.257 -9.298 5.589 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.747 -10.179 5.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -7.115 -10.505 7.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -5.687 -9.687 8.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -7.149 -8.833 7.965 1.00 0.00 H new ATOM 1741 N PRO A 115 -10.377 -5.578 4.950 1.00 0.00 N ATOM 1742 CA PRO A 115 -11.817 -5.773 4.976 1.00 0.00 C ATOM 1743 C PRO A 115 -12.504 -4.929 3.900 1.00 0.00 C ATOM 1744 O PRO A 115 -13.656 -5.181 3.550 1.00 0.00 O ATOM 1745 CB PRO A 115 -12.239 -5.395 6.386 1.00 0.00 C ATOM 1746 CG PRO A 115 -11.100 -4.564 6.954 1.00 0.00 C ATOM 1747 CD PRO A 115 -9.894 -4.745 6.047 1.00 0.00 C ATOM 0 HA PRO A 115 -12.107 -6.799 4.749 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -13.169 -4.827 6.376 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -12.414 -6.284 6.993 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -11.384 -3.513 7.007 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -10.865 -4.882 7.970 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -9.525 -3.786 5.683 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -9.070 -5.224 6.575 1.00 0.00 H new ATOM 1755 N GLU A 116 -11.767 -3.945 3.405 1.00 0.00 N ATOM 1756 CA GLU A 116 -12.291 -3.063 2.376 1.00 0.00 C ATOM 1757 C GLU A 116 -12.864 -3.881 1.217 1.00 0.00 C ATOM 1758 O GLU A 116 -12.318 -4.924 0.859 1.00 0.00 O ATOM 1759 CB GLU A 116 -11.214 -2.095 1.884 1.00 0.00 C ATOM 1760 CG GLU A 116 -11.316 -0.748 2.604 1.00 0.00 C ATOM 1761 CD GLU A 116 -11.643 0.376 1.619 1.00 0.00 C ATOM 1762 OE1 GLU A 116 -12.295 0.066 0.599 1.00 0.00 O ATOM 1763 OE2 GLU A 116 -11.233 1.521 1.909 1.00 0.00 O ATOM 0 H GLU A 116 -10.812 -3.739 3.697 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.096 -2.470 2.809 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.228 -2.527 2.052 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.318 -1.946 0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.088 -0.800 3.372 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.376 -0.530 3.111 1.00 0.00 H new ATOM 1770 N PRO A 117 -13.986 -3.365 0.648 1.00 0.00 N ATOM 1771 CA PRO A 117 -14.639 -4.036 -0.463 1.00 0.00 C ATOM 1772 C PRO A 117 -13.850 -3.842 -1.760 1.00 0.00 C ATOM 1773 O PRO A 117 -13.828 -4.727 -2.615 1.00 0.00 O ATOM 1774 CB PRO A 117 -16.034 -3.435 -0.521 1.00 0.00 C ATOM 1775 CG PRO A 117 -15.958 -2.130 0.255 1.00 0.00 C ATOM 1776 CD PRO A 117 -14.660 -2.133 1.046 1.00 0.00 C ATOM 0 HA PRO A 117 -14.691 -5.117 -0.330 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -16.341 -3.259 -1.552 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -16.768 -4.109 -0.080 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -15.988 -1.279 -0.425 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -16.813 -2.034 0.924 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -14.053 -1.257 0.815 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -14.850 -2.115 2.119 1.00 0.00 H new ATOM 1784 N GLN A 118 -13.223 -2.680 -1.866 1.00 0.00 N ATOM 1785 CA GLN A 118 -12.436 -2.359 -3.044 1.00 0.00 C ATOM 1786 C GLN A 118 -11.122 -1.689 -2.638 1.00 0.00 C ATOM 1787 O GLN A 118 -10.911 -1.389 -1.464 1.00 0.00 O ATOM 1788 CB GLN A 118 -13.228 -1.475 -4.009 1.00 0.00 C ATOM 1789 CG GLN A 118 -13.174 -0.008 -3.577 1.00 0.00 C ATOM 1790 CD GLN A 118 -14.436 0.739 -4.015 1.00 0.00 C ATOM 1791 OE1 GLN A 118 -14.682 0.667 -5.320 1.00 0.00 O flip ATOM 1792 NE2 GLN A 118 -15.139 1.341 -3.220 1.00 0.00 N flip ATOM 0 H GLN A 118 -13.244 -1.949 -1.155 1.00 0.00 H new ATOM 0 HA GLN A 118 -12.202 -3.288 -3.564 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -12.824 -1.577 -5.016 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -14.265 -1.809 -4.046 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -13.069 0.052 -2.494 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -12.295 0.470 -4.010 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -14.892 1.356 -2.230 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -15.974 1.829 -3.545 1.00 0.00 H new ATOM 1801 N VAL A 119 -10.273 -1.473 -3.632 1.00 0.00 N ATOM 1802 CA VAL A 119 -8.985 -0.843 -3.393 1.00 0.00 C ATOM 1803 C VAL A 119 -8.547 -0.094 -4.653 1.00 0.00 C ATOM 1804 O VAL A 119 -8.336 -0.704 -5.700 1.00 0.00 O ATOM 1805 CB VAL A 119 -7.968 -1.890 -2.935 1.00 0.00 C ATOM 1806 CG1 VAL A 119 -6.712 -1.223 -2.370 1.00 0.00 C ATOM 1807 CG2 VAL A 119 -8.587 -2.846 -1.914 1.00 0.00 C ATOM 0 H VAL A 119 -10.452 -1.723 -4.605 1.00 0.00 H new ATOM 0 HA VAL A 119 -9.061 -0.110 -2.590 1.00 0.00 H new ATOM 0 HB VAL A 119 -7.674 -2.475 -3.806 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.005 -1.989 -2.052 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.252 -0.602 -3.139 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.983 -0.602 -1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -7.843 -3.580 -1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -8.923 -2.282 -1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -9.437 -3.359 -2.364 1.00 0.00 H new ATOM 1817 N GLU A 120 -8.423 1.217 -4.511 1.00 0.00 N ATOM 1818 CA GLU A 120 -8.014 2.056 -5.624 1.00 0.00 C ATOM 1819 C GLU A 120 -6.520 2.375 -5.528 1.00 0.00 C ATOM 1820 O GLU A 120 -6.111 3.210 -4.723 1.00 0.00 O ATOM 1821 CB GLU A 120 -8.846 3.339 -5.680 1.00 0.00 C ATOM 1822 CG GLU A 120 -8.410 4.225 -6.848 1.00 0.00 C ATOM 1823 CD GLU A 120 -8.736 5.694 -6.573 1.00 0.00 C ATOM 1824 OE1 GLU A 120 -8.023 6.287 -5.735 1.00 0.00 O ATOM 1825 OE2 GLU A 120 -9.692 6.192 -7.208 1.00 0.00 O ATOM 0 H GLU A 120 -8.599 1.719 -3.641 1.00 0.00 H new ATOM 0 HA GLU A 120 -8.190 1.508 -6.550 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -9.902 3.088 -5.784 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -8.739 3.887 -4.744 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -7.339 4.112 -7.015 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -8.911 3.902 -7.761 1.00 0.00 H new ATOM 1832 N LEU A 121 -5.748 1.693 -6.360 1.00 0.00 N ATOM 1833 CA LEU A 121 -4.309 1.892 -6.379 1.00 0.00 C ATOM 1834 C LEU A 121 -3.969 3.030 -7.344 1.00 0.00 C ATOM 1835 O LEU A 121 -4.784 3.396 -8.190 1.00 0.00 O ATOM 1836 CB LEU A 121 -3.589 0.580 -6.698 1.00 0.00 C ATOM 1837 CG LEU A 121 -3.383 -0.374 -5.520 1.00 0.00 C ATOM 1838 CD1 LEU A 121 -4.599 -0.372 -4.592 1.00 0.00 C ATOM 1839 CD2 LEU A 121 -3.038 -1.783 -6.009 1.00 0.00 C ATOM 0 H LEU A 121 -6.092 1.002 -7.026 1.00 0.00 H new ATOM 0 HA LEU A 121 -3.954 2.191 -5.393 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.154 0.057 -7.470 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.614 0.818 -7.123 1.00 0.00 H new ATOM 0 HG LEU A 121 -2.533 -0.018 -4.938 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -4.426 -1.059 -3.763 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -4.758 0.634 -4.203 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -5.481 -0.690 -5.148 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.897 -2.441 -5.152 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -3.851 -2.163 -6.628 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -2.120 -1.750 -6.596 1.00 0.00 H new ATOM 1851 N VAL A 122 -2.763 3.557 -7.186 1.00 0.00 N ATOM 1852 CA VAL A 122 -2.306 4.645 -8.033 1.00 0.00 C ATOM 1853 C VAL A 122 -0.791 4.539 -8.219 1.00 0.00 C ATOM 1854 O VAL A 122 -0.031 4.722 -7.270 1.00 0.00 O ATOM 1855 CB VAL A 122 -2.742 5.988 -7.442 1.00 0.00 C ATOM 1856 CG1 VAL A 122 -2.362 7.144 -8.369 1.00 0.00 C ATOM 1857 CG2 VAL A 122 -4.243 5.994 -7.144 1.00 0.00 C ATOM 0 H VAL A 122 -2.089 3.251 -6.484 1.00 0.00 H new ATOM 0 HA VAL A 122 -2.761 4.576 -9.021 1.00 0.00 H new ATOM 0 HB VAL A 122 -2.213 6.127 -6.499 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.683 8.087 -7.926 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.281 7.158 -8.509 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.851 7.012 -9.334 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.527 6.959 -6.725 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.798 5.821 -8.066 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -4.475 5.205 -6.428 1.00 0.00 H new ATOM 1867 N VAL A 123 -0.397 4.242 -9.449 1.00 0.00 N ATOM 1868 CA VAL A 123 1.013 4.108 -9.772 1.00 0.00 C ATOM 1869 C VAL A 123 1.446 5.288 -10.645 1.00 0.00 C ATOM 1870 O VAL A 123 0.606 5.988 -11.209 1.00 0.00 O ATOM 1871 CB VAL A 123 1.273 2.751 -10.429 1.00 0.00 C ATOM 1872 CG1 VAL A 123 0.142 2.382 -11.392 1.00 0.00 C ATOM 1873 CG2 VAL A 123 2.627 2.738 -11.142 1.00 0.00 C ATOM 0 H VAL A 123 -1.030 4.090 -10.234 1.00 0.00 H new ATOM 0 HA VAL A 123 1.617 4.136 -8.865 1.00 0.00 H new ATOM 0 HB VAL A 123 1.301 1.997 -9.642 1.00 0.00 H new ATOM 0 HG11 VAL A 123 0.352 1.413 -11.845 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -0.799 2.331 -10.845 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.067 3.139 -12.172 1.00 0.00 H new ATOM 0 HG21 VAL A 123 2.787 1.762 -11.601 1.00 0.00 H new ATOM 0 HG22 VAL A 123 2.639 3.508 -11.913 1.00 0.00 H new ATOM 0 HG23 VAL A 123 3.420 2.935 -10.421 1.00 0.00 H new ATOM 1883 N SER A 124 2.755 5.471 -10.729 1.00 0.00 N ATOM 1884 CA SER A 124 3.310 6.554 -11.524 1.00 0.00 C ATOM 1885 C SER A 124 4.688 6.159 -12.057 1.00 0.00 C ATOM 1886 O SER A 124 5.651 6.072 -11.296 1.00 0.00 O ATOM 1887 CB SER A 124 3.406 7.844 -10.707 1.00 0.00 C ATOM 1888 OG SER A 124 4.123 8.862 -11.399 1.00 0.00 O ATOM 0 H SER A 124 3.448 4.888 -10.260 1.00 0.00 H new ATOM 0 HA SER A 124 2.642 6.738 -12.365 1.00 0.00 H new ATOM 0 HB2 SER A 124 2.403 8.201 -10.475 1.00 0.00 H new ATOM 0 HB3 SER A 124 3.898 7.636 -9.757 1.00 0.00 H new ATOM 0 HG SER A 124 4.161 9.670 -10.845 1.00 0.00 H new ATOM 1894 N ARG A 125 4.740 5.930 -13.361 1.00 0.00 N ATOM 1895 CA ARG A 125 5.985 5.546 -14.005 1.00 0.00 C ATOM 1896 C ARG A 125 6.488 6.677 -14.905 1.00 0.00 C ATOM 1897 O ARG A 125 5.732 7.585 -15.248 1.00 0.00 O ATOM 1898 CB ARG A 125 5.803 4.279 -14.843 1.00 0.00 C ATOM 1899 CG ARG A 125 5.000 4.572 -16.112 1.00 0.00 C ATOM 1900 CD ARG A 125 3.712 3.747 -16.149 1.00 0.00 C ATOM 1901 NE ARG A 125 3.990 2.356 -15.727 1.00 0.00 N ATOM 1902 CZ ARG A 125 4.412 1.390 -16.554 1.00 0.00 C ATOM 1903 NH1 ARG A 125 4.607 1.658 -17.853 1.00 0.00 N ATOM 1904 NH2 ARG A 125 4.639 0.156 -16.084 1.00 0.00 N ATOM 0 H ARG A 125 3.940 6.003 -13.989 1.00 0.00 H new ATOM 0 HA ARG A 125 6.717 5.348 -13.222 1.00 0.00 H new ATOM 0 HB2 ARG A 125 6.778 3.873 -15.111 1.00 0.00 H new ATOM 0 HB3 ARG A 125 5.292 3.518 -14.253 1.00 0.00 H new ATOM 0 HG2 ARG A 125 4.757 5.634 -16.156 1.00 0.00 H new ATOM 0 HG3 ARG A 125 5.606 4.347 -16.990 1.00 0.00 H new ATOM 0 HD2 ARG A 125 2.966 4.193 -15.492 1.00 0.00 H new ATOM 0 HD3 ARG A 125 3.295 3.754 -17.156 1.00 0.00 H new ATOM 0 HE ARG A 125 3.852 2.118 -14.745 1.00 0.00 H new ATOM 0 HH11 ARG A 125 4.434 2.597 -18.212 1.00 0.00 H new ATOM 0 HH12 ARG A 125 4.928 0.923 -18.483 1.00 0.00 H new ATOM 0 HH21 ARG A 125 4.491 -0.049 -15.096 1.00 0.00 H new ATOM 0 HH22 ARG A 125 4.960 -0.579 -16.714 1.00 0.00 H new ATOM 1918 N SER A 126 7.761 6.586 -15.260 1.00 0.00 N ATOM 1919 CA SER A 126 8.374 7.590 -16.113 1.00 0.00 C ATOM 1920 C SER A 126 8.322 7.138 -17.574 1.00 0.00 C ATOM 1921 O SER A 126 8.588 5.976 -17.877 1.00 0.00 O ATOM 1922 CB SER A 126 9.819 7.862 -15.692 1.00 0.00 C ATOM 1923 OG SER A 126 10.579 8.451 -16.744 1.00 0.00 O ATOM 0 H SER A 126 8.385 5.832 -14.972 1.00 0.00 H new ATOM 0 HA SER A 126 7.813 8.518 -16.007 1.00 0.00 H new ATOM 0 HB2 SER A 126 9.826 8.523 -14.825 1.00 0.00 H new ATOM 0 HB3 SER A 126 10.289 6.928 -15.384 1.00 0.00 H new ATOM 0 HG SER A 126 11.495 8.611 -16.436 1.00 0.00 H new ATOM 1929 N GLY A 127 7.978 8.080 -18.439 1.00 0.00 N ATOM 1930 CA GLY A 127 7.888 7.793 -19.861 1.00 0.00 C ATOM 1931 C GLY A 127 9.157 8.237 -20.591 1.00 0.00 C ATOM 1932 O GLY A 127 10.192 8.460 -19.965 1.00 0.00 O ATOM 0 H GLY A 127 7.758 9.043 -18.183 1.00 0.00 H new ATOM 0 HA2 GLY A 127 7.733 6.725 -20.011 1.00 0.00 H new ATOM 0 HA3 GLY A 127 7.023 8.303 -20.285 1.00 0.00 H new ATOM 1936 N PRO A 128 9.032 8.356 -21.940 1.00 0.00 N ATOM 1937 CA PRO A 128 10.157 8.770 -22.763 1.00 0.00 C ATOM 1938 C PRO A 128 10.417 10.270 -22.620 1.00 0.00 C ATOM 1939 O PRO A 128 9.494 11.077 -22.720 1.00 0.00 O ATOM 1940 CB PRO A 128 9.779 8.364 -24.178 1.00 0.00 C ATOM 1941 CG PRO A 128 8.272 8.163 -24.166 1.00 0.00 C ATOM 1942 CD PRO A 128 7.822 8.101 -22.716 1.00 0.00 C ATOM 0 HA PRO A 128 11.093 8.299 -22.465 1.00 0.00 H new ATOM 0 HB2 PRO A 128 10.065 9.134 -24.895 1.00 0.00 H new ATOM 0 HB3 PRO A 128 10.293 7.449 -24.472 1.00 0.00 H new ATOM 0 HG2 PRO A 128 7.774 8.981 -24.686 1.00 0.00 H new ATOM 0 HG3 PRO A 128 8.005 7.244 -24.688 1.00 0.00 H new ATOM 0 HD2 PRO A 128 7.054 8.846 -22.508 1.00 0.00 H new ATOM 0 HD3 PRO A 128 7.395 7.127 -22.475 1.00 0.00 H new ATOM 1950 N SER A 129 11.680 10.600 -22.387 1.00 0.00 N ATOM 1951 CA SER A 129 12.073 11.989 -22.230 1.00 0.00 C ATOM 1952 C SER A 129 13.585 12.129 -22.418 1.00 0.00 C ATOM 1953 O SER A 129 14.040 12.859 -23.297 1.00 0.00 O ATOM 1954 CB SER A 129 11.657 12.528 -20.860 1.00 0.00 C ATOM 1955 OG SER A 129 11.391 13.928 -20.895 1.00 0.00 O ATOM 0 H SER A 129 12.443 9.929 -22.303 1.00 0.00 H new ATOM 0 HA SER A 129 11.562 12.577 -22.992 1.00 0.00 H new ATOM 0 HB2 SER A 129 10.768 11.999 -20.517 1.00 0.00 H new ATOM 0 HB3 SER A 129 12.447 12.327 -20.136 1.00 0.00 H new ATOM 0 HG SER A 129 11.127 14.233 -20.002 1.00 0.00 H new ATOM 1961 N SER A 130 14.322 11.418 -21.577 1.00 0.00 N ATOM 1962 CA SER A 130 15.774 11.454 -21.640 1.00 0.00 C ATOM 1963 C SER A 130 16.315 10.075 -22.022 1.00 0.00 C ATOM 1964 O SER A 130 15.610 9.074 -21.907 1.00 0.00 O ATOM 1965 CB SER A 130 16.371 11.908 -20.306 1.00 0.00 C ATOM 1966 OG SER A 130 17.686 12.434 -20.462 1.00 0.00 O ATOM 0 H SER A 130 13.941 10.814 -20.849 1.00 0.00 H new ATOM 0 HA SER A 130 16.066 12.176 -22.403 1.00 0.00 H new ATOM 0 HB2 SER A 130 15.728 12.666 -19.860 1.00 0.00 H new ATOM 0 HB3 SER A 130 16.397 11.066 -19.615 1.00 0.00 H new ATOM 0 HG SER A 130 18.032 12.714 -19.589 1.00 0.00 H new ATOM 1972 N GLY A 131 17.562 10.067 -22.469 1.00 0.00 N ATOM 1973 CA GLY A 131 18.206 8.828 -22.869 1.00 0.00 C ATOM 1974 C GLY A 131 17.507 8.214 -24.084 1.00 0.00 C ATOM 1975 O GLY A 131 17.861 8.511 -25.224 1.00 0.00 O ATOM 0 H GLY A 131 18.144 10.900 -22.563 1.00 0.00 H new ATOM 0 HA2 GLY A 131 19.253 9.018 -23.105 1.00 0.00 H new ATOM 0 HA3 GLY A 131 18.189 8.121 -22.040 1.00 0.00 H new TER 1979 GLY A 131