USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 516 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 10 MET CE :methyl -127:sc= -0.922 (180deg=-6.14!) USER MOD Set 1.2: A 69 HIS : no HD1:sc= -0.0939 K(o=-1,f=-1.9) USER MOD Set 2.1: A 45 MET CE :methyl 178:sc= -1.89 (180deg=-1.83) USER MOD Set 2.2: A 51 TYR OH : rot 40:sc= 0.121 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= 0.0236 USER MOD Single : A 5 SER OG : rot 26:sc= 0.57 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0104 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 116:sc= -0.401 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 156:sc= -0.0542 (180deg=-0.41) USER MOD Single : A 40 MET CE :methyl -119:sc= -0.132 (180deg=-3.09!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.29) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.135 X(o=-0.14,f=0.013) USER MOD Single : A 65 HIS : no HD1:sc= -1.02 K(o=-1,f=-2.2) USER MOD Single : A 70 MET CE :methyl -123:sc= -0.76 (180deg=-1.8) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc=-0.00314 X(o=-0.0031,f=-0.26) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.698 -25.465 -4.005 1.00 0.00 N ATOM 2 CA GLY A 1 7.946 -26.570 -3.441 1.00 0.00 C ATOM 3 C GLY A 1 6.495 -26.213 -3.183 1.00 0.00 C ATOM 4 O GLY A 1 5.632 -26.445 -4.029 1.00 0.00 O ATOM 0 H1 GLY A 1 9.683 -25.760 -4.163 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.272 -25.182 -4.911 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.679 -24.660 -3.347 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.992 -27.421 -4.120 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.412 -26.883 -2.506 1.00 0.00 H new ATOM 8 N SER A 2 6.226 -25.647 -2.011 1.00 0.00 N ATOM 9 CA SER A 2 4.869 -25.262 -1.642 1.00 0.00 C ATOM 10 C SER A 2 4.631 -23.780 -1.916 1.00 0.00 C ATOM 11 O SER A 2 5.282 -22.917 -1.329 1.00 0.00 O ATOM 12 CB SER A 2 4.614 -25.566 -0.164 1.00 0.00 C ATOM 13 OG SER A 2 3.228 -25.711 0.095 1.00 0.00 O ATOM 0 H SER A 2 6.930 -25.445 -1.301 1.00 0.00 H new ATOM 0 HA SER A 2 4.175 -25.842 -2.250 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.137 -26.479 0.118 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.020 -24.763 0.451 1.00 0.00 H new ATOM 0 HG SER A 2 3.092 -25.906 1.046 1.00 0.00 H new ATOM 19 N SER A 3 3.693 -23.494 -2.813 1.00 0.00 N ATOM 20 CA SER A 3 3.370 -22.117 -3.169 1.00 0.00 C ATOM 21 C SER A 3 2.673 -21.406 -2.013 1.00 0.00 C ATOM 22 O SER A 3 1.765 -21.954 -1.389 1.00 0.00 O ATOM 23 CB SER A 3 2.480 -22.085 -4.413 1.00 0.00 C ATOM 24 OG SER A 3 1.433 -23.035 -4.316 1.00 0.00 O ATOM 0 H SER A 3 3.143 -24.197 -3.307 1.00 0.00 H new ATOM 0 HA SER A 3 4.302 -21.595 -3.384 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.059 -21.087 -4.537 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.081 -22.290 -5.299 1.00 0.00 H new ATOM 0 HG SER A 3 0.878 -22.993 -5.122 1.00 0.00 H new ATOM 30 N GLY A 4 3.106 -20.181 -1.733 1.00 0.00 N ATOM 31 CA GLY A 4 2.514 -19.414 -0.653 1.00 0.00 C ATOM 32 C GLY A 4 2.695 -17.920 -0.835 1.00 0.00 C ATOM 33 O GLY A 4 3.609 -17.479 -1.532 1.00 0.00 O ATOM 0 H GLY A 4 3.856 -19.706 -2.235 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.450 -19.643 -0.590 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.962 -19.719 0.293 1.00 0.00 H new ATOM 37 N SER A 5 1.820 -17.138 -0.210 1.00 0.00 N ATOM 38 CA SER A 5 1.884 -15.685 -0.312 1.00 0.00 C ATOM 39 C SER A 5 2.167 -15.057 1.049 1.00 0.00 C ATOM 40 O SER A 5 1.375 -15.190 1.983 1.00 0.00 O ATOM 41 CB SER A 5 0.573 -15.134 -0.878 1.00 0.00 C ATOM 42 OG SER A 5 -0.516 -15.427 -0.020 1.00 0.00 O ATOM 0 H SER A 5 1.059 -17.487 0.372 1.00 0.00 H new ATOM 0 HA SER A 5 2.700 -15.428 -0.988 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.655 -14.055 -1.011 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.390 -15.563 -1.863 1.00 0.00 H new ATOM 0 HG SER A 5 -0.190 -15.531 0.898 1.00 0.00 H new ATOM 48 N SER A 6 3.301 -14.373 1.154 1.00 0.00 N ATOM 49 CA SER A 6 3.692 -13.727 2.401 1.00 0.00 C ATOM 50 C SER A 6 2.840 -12.489 2.662 1.00 0.00 C ATOM 51 O SER A 6 2.627 -12.098 3.809 1.00 0.00 O ATOM 52 CB SER A 6 5.172 -13.341 2.359 1.00 0.00 C ATOM 53 OG SER A 6 5.930 -14.304 1.647 1.00 0.00 O ATOM 0 H SER A 6 3.966 -14.252 0.390 1.00 0.00 H new ATOM 0 HA SER A 6 3.532 -14.436 3.214 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.283 -12.365 1.887 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.556 -13.250 3.375 1.00 0.00 H new ATOM 0 HG SER A 6 6.872 -14.034 1.633 1.00 0.00 H new ATOM 59 N GLY A 7 2.354 -11.875 1.588 1.00 0.00 N ATOM 60 CA GLY A 7 1.530 -10.688 1.720 1.00 0.00 C ATOM 61 C GLY A 7 0.481 -10.585 0.631 1.00 0.00 C ATOM 62 O GLY A 7 0.400 -11.444 -0.247 1.00 0.00 O ATOM 0 H GLY A 7 2.516 -12.179 0.628 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.039 -10.697 2.693 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.166 -9.803 1.692 1.00 0.00 H new ATOM 66 N LYS A 8 -0.328 -9.533 0.689 1.00 0.00 N ATOM 67 CA LYS A 8 -1.379 -9.320 -0.300 1.00 0.00 C ATOM 68 C LYS A 8 -0.893 -8.412 -1.425 1.00 0.00 C ATOM 69 O LYS A 8 0.126 -7.734 -1.290 1.00 0.00 O ATOM 70 CB LYS A 8 -2.616 -8.710 0.364 1.00 0.00 C ATOM 71 CG LYS A 8 -3.923 -9.123 -0.289 1.00 0.00 C ATOM 72 CD LYS A 8 -5.076 -9.090 0.700 1.00 0.00 C ATOM 73 CE LYS A 8 -5.345 -7.678 1.196 1.00 0.00 C ATOM 74 NZ LYS A 8 -6.716 -7.540 1.760 1.00 0.00 N ATOM 0 H LYS A 8 -0.276 -8.814 1.411 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.643 -10.288 -0.727 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.636 -9.002 1.414 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.534 -7.623 0.337 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.140 -8.457 -1.124 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.824 -10.128 -0.700 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.974 -9.488 0.227 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.849 -9.737 1.547 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.611 -7.415 1.957 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.218 -6.974 0.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.860 -6.563 2.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.418 -7.767 1.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.829 -8.194 2.561 1.00 0.00 H new ATOM 88 N ILE A 9 -1.627 -8.404 -2.532 1.00 0.00 N ATOM 89 CA ILE A 9 -1.271 -7.578 -3.678 1.00 0.00 C ATOM 90 C ILE A 9 -2.388 -6.597 -4.017 1.00 0.00 C ATOM 91 O ILE A 9 -3.524 -6.997 -4.270 1.00 0.00 O ATOM 92 CB ILE A 9 -0.964 -8.437 -4.919 1.00 0.00 C ATOM 93 CG1 ILE A 9 0.015 -9.557 -4.561 1.00 0.00 C ATOM 94 CG2 ILE A 9 -0.403 -7.572 -6.037 1.00 0.00 C ATOM 95 CD1 ILE A 9 0.342 -10.468 -5.723 1.00 0.00 C ATOM 0 H ILE A 9 -2.472 -8.961 -2.659 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.375 -7.023 -3.400 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.892 -8.889 -5.268 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.938 -9.115 -4.185 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.407 -10.152 -3.751 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.191 -8.194 -6.907 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.132 -6.808 -6.306 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.517 -7.094 -5.700 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.041 -11.238 -5.396 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.572 -10.938 -6.085 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.793 -9.886 -6.526 1.00 0.00 H new ATOM 107 N MET A 10 -2.057 -5.310 -4.022 1.00 0.00 N ATOM 108 CA MET A 10 -3.032 -4.271 -4.333 1.00 0.00 C ATOM 109 C MET A 10 -2.454 -3.260 -5.319 1.00 0.00 C ATOM 110 O MET A 10 -1.240 -3.194 -5.513 1.00 0.00 O ATOM 111 CB MET A 10 -3.475 -3.557 -3.054 1.00 0.00 C ATOM 112 CG MET A 10 -4.079 -4.490 -2.016 1.00 0.00 C ATOM 113 SD MET A 10 -5.881 -4.423 -1.990 1.00 0.00 S ATOM 114 CE MET A 10 -6.150 -2.820 -1.238 1.00 0.00 C ATOM 0 H MET A 10 -1.121 -4.962 -3.814 1.00 0.00 H new ATOM 0 HA MET A 10 -3.898 -4.747 -4.793 1.00 0.00 H new ATOM 0 HB2 MET A 10 -2.617 -3.047 -2.617 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.206 -2.790 -3.310 1.00 0.00 H new ATOM 0 HG2 MET A 10 -3.760 -5.512 -2.222 1.00 0.00 H new ATOM 0 HG3 MET A 10 -3.695 -4.228 -1.030 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.818 -2.927 -0.383 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.197 -2.410 -0.904 1.00 0.00 H new ATOM 0 HE3 MET A 10 -6.599 -2.146 -1.968 1.00 0.00 H new ATOM 124 N ILE A 11 -3.331 -2.476 -5.937 1.00 0.00 N ATOM 125 CA ILE A 11 -2.906 -1.469 -6.902 1.00 0.00 C ATOM 126 C ILE A 11 -3.457 -0.094 -6.539 1.00 0.00 C ATOM 127 O ILE A 11 -4.600 0.032 -6.102 1.00 0.00 O ATOM 128 CB ILE A 11 -3.358 -1.831 -8.329 1.00 0.00 C ATOM 129 CG1 ILE A 11 -2.593 -3.055 -8.835 1.00 0.00 C ATOM 130 CG2 ILE A 11 -3.155 -0.649 -9.265 1.00 0.00 C ATOM 131 CD1 ILE A 11 -3.158 -3.636 -10.113 1.00 0.00 C ATOM 0 H ILE A 11 -4.339 -2.518 -5.787 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.817 -1.441 -6.871 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.420 -2.074 -8.307 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.551 -2.779 -9.000 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.601 -3.823 -8.062 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.479 -0.921 -10.270 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.741 0.200 -8.912 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.099 -0.378 -9.285 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.566 -4.501 -10.413 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.191 -3.943 -9.948 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.125 -2.883 -10.901 1.00 0.00 H new ATOM 143 N ALA A 12 -2.636 0.934 -6.726 1.00 0.00 N ATOM 144 CA ALA A 12 -3.042 2.300 -6.422 1.00 0.00 C ATOM 145 C ALA A 12 -4.034 2.821 -7.457 1.00 0.00 C ATOM 146 O ALA A 12 -3.655 3.162 -8.577 1.00 0.00 O ATOM 147 CB ALA A 12 -1.823 3.209 -6.352 1.00 0.00 C ATOM 0 H ALA A 12 -1.686 0.846 -7.087 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.537 2.299 -5.451 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.141 4.227 -6.124 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.150 2.855 -5.571 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.304 3.197 -7.311 1.00 0.00 H new ATOM 153 N ALA A 13 -5.305 2.878 -7.074 1.00 0.00 N ATOM 154 CA ALA A 13 -6.351 3.359 -7.968 1.00 0.00 C ATOM 155 C ALA A 13 -6.128 4.821 -8.339 1.00 0.00 C ATOM 156 O ALA A 13 -6.686 5.316 -9.319 1.00 0.00 O ATOM 157 CB ALA A 13 -7.719 3.179 -7.325 1.00 0.00 C ATOM 0 H ALA A 13 -5.635 2.597 -6.151 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.311 2.769 -8.884 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.491 3.542 -8.004 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.887 2.122 -7.117 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.760 3.743 -6.393 1.00 0.00 H new ATOM 163 N LEU A 14 -5.309 5.508 -7.551 1.00 0.00 N ATOM 164 CA LEU A 14 -5.012 6.915 -7.796 1.00 0.00 C ATOM 165 C LEU A 14 -3.541 7.216 -7.527 1.00 0.00 C ATOM 166 O LEU A 14 -2.851 6.445 -6.860 1.00 0.00 O ATOM 167 CB LEU A 14 -5.895 7.804 -6.918 1.00 0.00 C ATOM 168 CG LEU A 14 -7.404 7.638 -7.100 1.00 0.00 C ATOM 169 CD1 LEU A 14 -8.116 7.738 -5.760 1.00 0.00 C ATOM 170 CD2 LEU A 14 -7.942 8.679 -8.071 1.00 0.00 C ATOM 0 H LEU A 14 -4.838 5.114 -6.737 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.222 7.128 -8.844 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.651 7.607 -5.874 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.638 8.845 -7.114 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.594 6.649 -7.517 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.189 7.618 -5.908 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.751 6.955 -5.095 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.918 8.713 -5.315 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.017 8.546 -8.188 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.740 9.677 -7.683 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.454 8.561 -9.038 1.00 0.00 H new ATOM 182 N ASP A 15 -3.068 8.342 -8.048 1.00 0.00 N ATOM 183 CA ASP A 15 -1.679 8.748 -7.862 1.00 0.00 C ATOM 184 C ASP A 15 -1.486 9.413 -6.503 1.00 0.00 C ATOM 185 O ASP A 15 -1.698 10.617 -6.354 1.00 0.00 O ATOM 186 CB ASP A 15 -1.250 9.702 -8.977 1.00 0.00 C ATOM 187 CG ASP A 15 -1.306 9.054 -10.347 1.00 0.00 C ATOM 188 OD1 ASP A 15 -2.403 8.614 -10.751 1.00 0.00 O ATOM 189 OD2 ASP A 15 -0.253 8.988 -11.015 1.00 0.00 O ATOM 0 H ASP A 15 -3.626 8.991 -8.603 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.056 7.854 -7.901 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.895 10.581 -8.967 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.235 10.049 -8.784 1.00 0.00 H new ATOM 194 N TYR A 16 -1.083 8.622 -5.515 1.00 0.00 N ATOM 195 CA TYR A 16 -0.864 9.134 -4.167 1.00 0.00 C ATOM 196 C TYR A 16 0.528 9.744 -4.035 1.00 0.00 C ATOM 197 O TYR A 16 1.537 9.057 -4.195 1.00 0.00 O ATOM 198 CB TYR A 16 -1.042 8.016 -3.139 1.00 0.00 C ATOM 199 CG TYR A 16 -1.044 8.504 -1.708 1.00 0.00 C ATOM 200 CD1 TYR A 16 -1.742 9.649 -1.345 1.00 0.00 C ATOM 201 CD2 TYR A 16 -0.347 7.820 -0.719 1.00 0.00 C ATOM 202 CE1 TYR A 16 -1.746 10.099 -0.038 1.00 0.00 C ATOM 203 CE2 TYR A 16 -0.347 8.262 0.590 1.00 0.00 C ATOM 204 CZ TYR A 16 -1.048 9.402 0.925 1.00 0.00 C ATOM 205 OH TYR A 16 -1.049 9.846 2.228 1.00 0.00 O ATOM 0 H TYR A 16 -0.901 7.624 -5.622 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.602 9.914 -3.978 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.979 7.497 -3.338 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.241 7.288 -3.265 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.291 10.197 -2.097 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.204 6.928 -0.978 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -2.293 10.992 0.227 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.199 7.718 1.347 1.00 0.00 H new ATOM 0 HH TYR A 16 -1.487 9.182 2.800 1.00 0.00 H new ATOM 215 N ASP A 17 0.574 11.039 -3.743 1.00 0.00 N ATOM 216 CA ASP A 17 1.842 11.744 -3.588 1.00 0.00 C ATOM 217 C ASP A 17 1.912 12.442 -2.233 1.00 0.00 C ATOM 218 O ASP A 17 1.800 13.664 -2.131 1.00 0.00 O ATOM 219 CB ASP A 17 2.023 12.764 -4.712 1.00 0.00 C ATOM 220 CG ASP A 17 3.480 13.117 -4.944 1.00 0.00 C ATOM 221 OD1 ASP A 17 4.148 13.542 -3.979 1.00 0.00 O ATOM 222 OD2 ASP A 17 3.951 12.968 -6.091 1.00 0.00 O ATOM 0 H ASP A 17 -0.252 11.622 -3.609 1.00 0.00 H new ATOM 0 HA ASP A 17 2.647 11.011 -3.641 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.598 12.365 -5.633 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.467 13.670 -4.470 1.00 0.00 H new ATOM 227 N PRO A 18 2.102 11.650 -1.168 1.00 0.00 N ATOM 228 CA PRO A 18 2.192 12.171 0.200 1.00 0.00 C ATOM 229 C PRO A 18 3.474 12.962 0.436 1.00 0.00 C ATOM 230 O PRO A 18 3.579 13.720 1.399 1.00 0.00 O ATOM 231 CB PRO A 18 2.176 10.907 1.062 1.00 0.00 C ATOM 232 CG PRO A 18 2.703 9.834 0.173 1.00 0.00 C ATOM 233 CD PRO A 18 2.245 10.185 -1.216 1.00 0.00 C ATOM 0 HA PRO A 18 1.384 12.867 0.425 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.797 11.026 1.950 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.168 10.676 1.407 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.791 9.784 0.224 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.324 8.857 0.474 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.971 9.877 -1.968 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.302 9.697 -1.464 1.00 0.00 H new ATOM 241 N GLY A 19 4.448 12.779 -0.450 1.00 0.00 N ATOM 242 CA GLY A 19 5.711 13.483 -0.320 1.00 0.00 C ATOM 243 C GLY A 19 5.530 14.984 -0.214 1.00 0.00 C ATOM 244 O GLY A 19 6.354 15.675 0.386 1.00 0.00 O ATOM 0 H GLY A 19 4.385 12.156 -1.255 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.236 13.120 0.564 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.340 13.256 -1.181 1.00 0.00 H new ATOM 248 N ASP A 20 4.449 15.491 -0.798 1.00 0.00 N ATOM 249 CA ASP A 20 4.163 16.920 -0.766 1.00 0.00 C ATOM 250 C ASP A 20 4.195 17.450 0.664 1.00 0.00 C ATOM 251 O ASP A 20 4.555 18.603 0.902 1.00 0.00 O ATOM 252 CB ASP A 20 2.798 17.202 -1.397 1.00 0.00 C ATOM 253 CG ASP A 20 2.824 17.088 -2.909 1.00 0.00 C ATOM 254 OD1 ASP A 20 3.289 18.042 -3.568 1.00 0.00 O ATOM 255 OD2 ASP A 20 2.380 16.045 -3.432 1.00 0.00 O ATOM 0 H ASP A 20 3.757 14.933 -1.299 1.00 0.00 H new ATOM 0 HA ASP A 20 4.934 17.433 -1.341 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.064 16.503 -0.995 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.471 18.203 -1.117 1.00 0.00 H new ATOM 260 N GLY A 21 3.816 16.600 1.613 1.00 0.00 N ATOM 261 CA GLY A 21 3.808 17.002 3.008 1.00 0.00 C ATOM 262 C GLY A 21 4.347 15.922 3.925 1.00 0.00 C ATOM 263 O GLY A 21 3.913 15.799 5.070 1.00 0.00 O ATOM 0 H GLY A 21 3.514 15.641 1.441 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.405 17.906 3.126 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.790 17.252 3.305 1.00 0.00 H new ATOM 267 N GLN A 22 5.292 15.136 3.420 1.00 0.00 N ATOM 268 CA GLN A 22 5.888 14.059 4.202 1.00 0.00 C ATOM 269 C GLN A 22 6.393 14.577 5.545 1.00 0.00 C ATOM 270 O GLN A 22 6.400 13.850 6.538 1.00 0.00 O ATOM 271 CB GLN A 22 7.038 13.413 3.427 1.00 0.00 C ATOM 272 CG GLN A 22 8.117 14.398 3.006 1.00 0.00 C ATOM 273 CD GLN A 22 9.380 13.710 2.528 1.00 0.00 C ATOM 274 OE1 GLN A 22 9.501 13.353 1.355 1.00 0.00 O ATOM 275 NE2 GLN A 22 10.331 13.519 3.435 1.00 0.00 N ATOM 0 H GLN A 22 5.661 15.225 2.473 1.00 0.00 H new ATOM 0 HA GLN A 22 5.118 13.310 4.388 1.00 0.00 H new ATOM 0 HB2 GLN A 22 7.488 12.635 4.043 1.00 0.00 H new ATOM 0 HB3 GLN A 22 6.637 12.924 2.539 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.731 15.035 2.210 1.00 0.00 H new ATOM 0 HG3 GLN A 22 8.358 15.048 3.847 1.00 0.00 H new ATOM 0 HE21 GLN A 22 10.189 13.831 4.396 1.00 0.00 H new ATOM 0 HE22 GLN A 22 11.203 13.061 3.171 1.00 0.00 H new ATOM 284 N MET A 23 6.815 15.837 5.567 1.00 0.00 N ATOM 285 CA MET A 23 7.321 16.452 6.789 1.00 0.00 C ATOM 286 C MET A 23 6.315 16.308 7.927 1.00 0.00 C ATOM 287 O MET A 23 6.693 16.157 9.088 1.00 0.00 O ATOM 288 CB MET A 23 7.630 17.931 6.551 1.00 0.00 C ATOM 289 CG MET A 23 9.001 18.174 5.939 1.00 0.00 C ATOM 290 SD MET A 23 10.339 17.974 7.131 1.00 0.00 S ATOM 291 CE MET A 23 10.580 19.669 7.657 1.00 0.00 C ATOM 0 H MET A 23 6.817 16.452 4.753 1.00 0.00 H new ATOM 0 HA MET A 23 8.239 15.937 7.072 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.868 18.352 5.895 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.564 18.465 7.499 1.00 0.00 H new ATOM 0 HG2 MET A 23 9.152 17.483 5.110 1.00 0.00 H new ATOM 0 HG3 MET A 23 9.036 19.182 5.525 1.00 0.00 H new ATOM 0 HE1 MET A 23 11.379 19.710 8.397 1.00 0.00 H new ATOM 0 HE2 MET A 23 10.850 20.282 6.797 1.00 0.00 H new ATOM 0 HE3 MET A 23 9.658 20.048 8.097 1.00 0.00 H new ATOM 301 N GLY A 24 5.031 16.356 7.585 1.00 0.00 N ATOM 302 CA GLY A 24 3.991 16.230 8.590 1.00 0.00 C ATOM 303 C GLY A 24 4.152 14.985 9.438 1.00 0.00 C ATOM 304 O GLY A 24 3.846 13.879 8.995 1.00 0.00 O ATOM 0 H GLY A 24 4.692 16.480 6.631 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.005 17.109 9.234 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.017 16.209 8.100 1.00 0.00 H new ATOM 308 N GLY A 25 4.638 15.163 10.663 1.00 0.00 N ATOM 309 CA GLY A 25 4.833 14.036 11.556 1.00 0.00 C ATOM 310 C GLY A 25 6.169 13.353 11.343 1.00 0.00 C ATOM 311 O GLY A 25 6.304 12.500 10.466 1.00 0.00 O ATOM 0 H GLY A 25 4.900 16.068 11.053 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.764 14.378 12.589 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.031 13.314 11.405 1.00 0.00 H new ATOM 315 N GLN A 26 7.159 13.730 12.147 1.00 0.00 N ATOM 316 CA GLN A 26 8.492 13.149 12.040 1.00 0.00 C ATOM 317 C GLN A 26 8.490 11.693 12.496 1.00 0.00 C ATOM 318 O GLN A 26 7.556 11.241 13.158 1.00 0.00 O ATOM 319 CB GLN A 26 9.491 13.955 12.872 1.00 0.00 C ATOM 320 CG GLN A 26 9.841 15.303 12.263 1.00 0.00 C ATOM 321 CD GLN A 26 10.820 16.090 13.112 1.00 0.00 C ATOM 322 OE1 GLN A 26 10.463 17.104 13.712 1.00 0.00 O ATOM 323 NE2 GLN A 26 12.063 15.625 13.167 1.00 0.00 N ATOM 0 H GLN A 26 7.063 14.434 12.879 1.00 0.00 H new ATOM 0 HA GLN A 26 8.792 13.182 10.993 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.078 14.112 13.869 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.404 13.372 12.993 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.267 15.150 11.271 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.929 15.886 12.132 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.315 14.780 12.653 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.766 16.112 13.723 1.00 0.00 H new ATOM 332 N GLY A 27 9.542 10.964 12.138 1.00 0.00 N ATOM 333 CA GLY A 27 9.641 9.567 12.519 1.00 0.00 C ATOM 334 C GLY A 27 9.526 8.632 11.331 1.00 0.00 C ATOM 335 O GLY A 27 10.506 8.005 10.928 1.00 0.00 O ATOM 0 H GLY A 27 10.328 11.316 11.591 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.594 9.397 13.020 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.856 9.333 13.239 1.00 0.00 H new ATOM 339 N LYS A 28 8.326 8.538 10.768 1.00 0.00 N ATOM 340 CA LYS A 28 8.085 7.673 9.619 1.00 0.00 C ATOM 341 C LYS A 28 7.062 8.295 8.675 1.00 0.00 C ATOM 342 O LYS A 28 6.037 8.816 9.111 1.00 0.00 O ATOM 343 CB LYS A 28 7.597 6.299 10.083 1.00 0.00 C ATOM 344 CG LYS A 28 8.722 5.341 10.437 1.00 0.00 C ATOM 345 CD LYS A 28 8.257 3.895 10.394 1.00 0.00 C ATOM 346 CE LYS A 28 9.091 3.014 11.312 1.00 0.00 C ATOM 347 NZ LYS A 28 8.874 3.346 12.747 1.00 0.00 N ATOM 0 H LYS A 28 7.505 9.051 11.089 1.00 0.00 H new ATOM 0 HA LYS A 28 9.025 7.555 9.081 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.952 6.426 10.953 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.987 5.855 9.296 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.550 5.479 9.742 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.099 5.573 11.433 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.209 3.840 10.688 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.321 3.521 9.372 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.839 1.968 11.139 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.147 3.132 11.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.107 2.520 13.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.485 4.144 13.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.878 3.607 12.896 1.00 0.00 H new ATOM 361 N GLY A 29 7.348 8.236 7.377 1.00 0.00 N ATOM 362 CA GLY A 29 6.443 8.797 6.392 1.00 0.00 C ATOM 363 C GLY A 29 5.639 7.733 5.671 1.00 0.00 C ATOM 364 O GLY A 29 5.690 6.557 6.032 1.00 0.00 O ATOM 0 H GLY A 29 8.190 7.810 6.991 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.762 9.492 6.883 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.015 9.372 5.664 1.00 0.00 H new ATOM 368 N ARG A 30 4.894 8.146 4.651 1.00 0.00 N ATOM 369 CA ARG A 30 4.074 7.219 3.880 1.00 0.00 C ATOM 370 C ARG A 30 4.730 6.897 2.541 1.00 0.00 C ATOM 371 O ARG A 30 5.773 7.456 2.198 1.00 0.00 O ATOM 372 CB ARG A 30 2.681 7.809 3.649 1.00 0.00 C ATOM 373 CG ARG A 30 1.767 7.705 4.859 1.00 0.00 C ATOM 374 CD ARG A 30 0.797 8.874 4.926 1.00 0.00 C ATOM 375 NE ARG A 30 -0.160 8.729 6.019 1.00 0.00 N ATOM 376 CZ ARG A 30 -0.881 9.734 6.504 1.00 0.00 C ATOM 377 NH1 ARG A 30 -0.753 10.952 5.994 1.00 0.00 N ATOM 378 NH2 ARG A 30 -1.731 9.523 7.500 1.00 0.00 N ATOM 0 H ARG A 30 4.841 9.116 4.339 1.00 0.00 H new ATOM 0 HA ARG A 30 3.980 6.295 4.450 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.782 8.858 3.369 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.214 7.298 2.807 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.209 6.770 4.816 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.367 7.676 5.768 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.355 9.801 5.054 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.259 8.953 3.981 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.282 7.805 6.433 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.100 11.118 5.228 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.307 11.722 6.368 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.832 8.588 7.895 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.284 10.296 7.871 1.00 0.00 H new ATOM 392 N LEU A 31 4.114 5.992 1.788 1.00 0.00 N ATOM 393 CA LEU A 31 4.638 5.594 0.486 1.00 0.00 C ATOM 394 C LEU A 31 3.841 6.241 -0.642 1.00 0.00 C ATOM 395 O LEU A 31 2.612 6.197 -0.652 1.00 0.00 O ATOM 396 CB LEU A 31 4.602 4.072 0.344 1.00 0.00 C ATOM 397 CG LEU A 31 5.605 3.294 1.196 1.00 0.00 C ATOM 398 CD1 LEU A 31 5.482 1.800 0.935 1.00 0.00 C ATOM 399 CD2 LEU A 31 7.023 3.770 0.918 1.00 0.00 C ATOM 0 H LEU A 31 3.251 5.520 2.057 1.00 0.00 H new ATOM 0 HA LEU A 31 5.671 5.935 0.417 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.599 3.728 0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.773 3.821 -0.703 1.00 0.00 H new ATOM 0 HG LEU A 31 5.380 3.478 2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.204 1.263 1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.474 1.469 1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.680 1.597 -0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.724 3.205 1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.259 3.616 -0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.104 4.831 1.156 1.00 0.00 H new ATOM 411 N ALA A 32 4.551 6.840 -1.593 1.00 0.00 N ATOM 412 CA ALA A 32 3.911 7.492 -2.728 1.00 0.00 C ATOM 413 C ALA A 32 3.580 6.485 -3.825 1.00 0.00 C ATOM 414 O ALA A 32 4.473 5.972 -4.501 1.00 0.00 O ATOM 415 CB ALA A 32 4.804 8.596 -3.275 1.00 0.00 C ATOM 0 H ALA A 32 5.570 6.887 -1.599 1.00 0.00 H new ATOM 0 HA ALA A 32 2.976 7.933 -2.382 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.313 9.074 -4.123 1.00 0.00 H new ATOM 0 HB2 ALA A 32 4.986 9.336 -2.496 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.753 8.169 -3.599 1.00 0.00 H new ATOM 421 N LEU A 33 2.293 6.205 -3.995 1.00 0.00 N ATOM 422 CA LEU A 33 1.843 5.258 -5.010 1.00 0.00 C ATOM 423 C LEU A 33 1.401 5.986 -6.276 1.00 0.00 C ATOM 424 O LEU A 33 1.147 7.190 -6.255 1.00 0.00 O ATOM 425 CB LEU A 33 0.693 4.408 -4.468 1.00 0.00 C ATOM 426 CG LEU A 33 0.859 3.885 -3.041 1.00 0.00 C ATOM 427 CD1 LEU A 33 -0.427 3.233 -2.558 1.00 0.00 C ATOM 428 CD2 LEU A 33 2.019 2.903 -2.964 1.00 0.00 C ATOM 0 H LEU A 33 1.542 6.620 -3.443 1.00 0.00 H new ATOM 0 HA LEU A 33 2.680 4.607 -5.261 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.222 4.999 -4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.554 3.555 -5.132 1.00 0.00 H new ATOM 0 HG LEU A 33 1.081 4.730 -2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.289 2.867 -1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.234 3.965 -2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.680 2.399 -3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.122 2.541 -1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.828 2.061 -3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.939 3.403 -3.267 1.00 0.00 H new ATOM 440 N ARG A 34 1.308 5.245 -7.376 1.00 0.00 N ATOM 441 CA ARG A 34 0.895 5.820 -8.650 1.00 0.00 C ATOM 442 C ARG A 34 -0.237 5.007 -9.271 1.00 0.00 C ATOM 443 O ARG A 34 -0.404 3.825 -8.970 1.00 0.00 O ATOM 444 CB ARG A 34 2.082 5.881 -9.615 1.00 0.00 C ATOM 445 CG ARG A 34 2.913 7.146 -9.477 1.00 0.00 C ATOM 446 CD ARG A 34 2.480 8.208 -10.476 1.00 0.00 C ATOM 447 NE ARG A 34 3.618 8.948 -11.016 1.00 0.00 N ATOM 448 CZ ARG A 34 4.233 9.928 -10.364 1.00 0.00 C ATOM 449 NH1 ARG A 34 3.823 10.285 -9.154 1.00 0.00 N ATOM 450 NH2 ARG A 34 5.262 10.554 -10.922 1.00 0.00 N ATOM 0 H ARG A 34 1.513 4.246 -7.410 1.00 0.00 H new ATOM 0 HA ARG A 34 0.534 6.832 -8.464 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.722 5.015 -9.446 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.712 5.809 -10.638 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.817 7.537 -8.464 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.966 6.909 -9.629 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.934 7.736 -11.293 1.00 0.00 H new ATOM 0 HD3 ARG A 34 1.793 8.902 -9.992 1.00 0.00 H new ATOM 0 HE ARG A 34 3.959 8.698 -11.944 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.033 9.806 -8.721 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.298 11.038 -8.656 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.581 10.282 -11.852 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.734 11.307 -10.421 1.00 0.00 H new ATOM 464 N ALA A 35 -1.012 5.648 -10.140 1.00 0.00 N ATOM 465 CA ALA A 35 -2.127 4.985 -10.804 1.00 0.00 C ATOM 466 C ALA A 35 -1.663 3.726 -11.529 1.00 0.00 C ATOM 467 O ALA A 35 -1.107 3.797 -12.623 1.00 0.00 O ATOM 468 CB ALA A 35 -2.803 5.938 -11.778 1.00 0.00 C ATOM 0 H ALA A 35 -0.888 6.626 -10.400 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.848 4.690 -10.042 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.634 5.430 -12.267 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.177 6.807 -11.236 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.083 6.261 -12.530 1.00 0.00 H new ATOM 474 N GLY A 36 -1.897 2.572 -10.910 1.00 0.00 N ATOM 475 CA GLY A 36 -1.496 1.313 -11.510 1.00 0.00 C ATOM 476 C GLY A 36 -0.215 0.768 -10.912 1.00 0.00 C ATOM 477 O GLY A 36 0.523 0.035 -11.571 1.00 0.00 O ATOM 0 H GLY A 36 -2.357 2.487 -10.004 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.294 0.582 -11.380 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.362 1.452 -12.583 1.00 0.00 H new ATOM 481 N ASP A 37 0.051 1.126 -9.661 1.00 0.00 N ATOM 482 CA ASP A 37 1.253 0.667 -8.974 1.00 0.00 C ATOM 483 C ASP A 37 0.949 -0.541 -8.093 1.00 0.00 C ATOM 484 O ASP A 37 0.374 -0.406 -7.013 1.00 0.00 O ATOM 485 CB ASP A 37 1.844 1.795 -8.127 1.00 0.00 C ATOM 486 CG ASP A 37 2.886 2.599 -8.879 1.00 0.00 C ATOM 487 OD1 ASP A 37 2.719 2.791 -10.101 1.00 0.00 O ATOM 488 OD2 ASP A 37 3.870 3.036 -8.245 1.00 0.00 O ATOM 0 H ASP A 37 -0.549 1.732 -9.102 1.00 0.00 H new ATOM 0 HA ASP A 37 1.981 0.369 -9.729 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.043 2.459 -7.801 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.294 1.373 -7.228 1.00 0.00 H new ATOM 493 N VAL A 38 1.337 -1.722 -8.563 1.00 0.00 N ATOM 494 CA VAL A 38 1.105 -2.954 -7.819 1.00 0.00 C ATOM 495 C VAL A 38 2.010 -3.035 -6.594 1.00 0.00 C ATOM 496 O VAL A 38 3.180 -3.404 -6.697 1.00 0.00 O ATOM 497 CB VAL A 38 1.341 -4.195 -8.700 1.00 0.00 C ATOM 498 CG1 VAL A 38 1.131 -5.469 -7.896 1.00 0.00 C ATOM 499 CG2 VAL A 38 0.428 -4.165 -9.917 1.00 0.00 C ATOM 0 H VAL A 38 1.813 -1.852 -9.456 1.00 0.00 H new ATOM 0 HA VAL A 38 0.063 -2.938 -7.498 1.00 0.00 H new ATOM 0 HB VAL A 38 2.374 -4.181 -9.049 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.302 -6.335 -8.535 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.830 -5.491 -7.060 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.110 -5.495 -7.516 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.608 -5.049 -10.529 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.612 -4.155 -9.591 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.633 -3.270 -10.504 1.00 0.00 H new ATOM 509 N VAL A 39 1.460 -2.688 -5.435 1.00 0.00 N ATOM 510 CA VAL A 39 2.217 -2.722 -4.189 1.00 0.00 C ATOM 511 C VAL A 39 1.807 -3.914 -3.330 1.00 0.00 C ATOM 512 O VAL A 39 0.640 -4.303 -3.308 1.00 0.00 O ATOM 513 CB VAL A 39 2.022 -1.428 -3.378 1.00 0.00 C ATOM 514 CG1 VAL A 39 0.547 -1.199 -3.083 1.00 0.00 C ATOM 515 CG2 VAL A 39 2.830 -1.480 -2.090 1.00 0.00 C ATOM 0 H VAL A 39 0.493 -2.380 -5.333 1.00 0.00 H new ATOM 0 HA VAL A 39 3.269 -2.817 -4.460 1.00 0.00 H new ATOM 0 HB VAL A 39 2.383 -0.589 -3.973 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.429 -0.280 -2.509 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.003 -1.114 -4.020 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.156 -2.038 -2.508 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.680 -0.557 -1.529 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.502 -2.328 -1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.888 -1.592 -2.328 1.00 0.00 H new ATOM 525 N MET A 40 2.776 -4.488 -2.624 1.00 0.00 N ATOM 526 CA MET A 40 2.515 -5.634 -1.762 1.00 0.00 C ATOM 527 C MET A 40 2.387 -5.201 -0.305 1.00 0.00 C ATOM 528 O MET A 40 3.287 -4.565 0.246 1.00 0.00 O ATOM 529 CB MET A 40 3.633 -6.669 -1.901 1.00 0.00 C ATOM 530 CG MET A 40 3.511 -7.831 -0.929 1.00 0.00 C ATOM 531 SD MET A 40 4.204 -9.361 -1.584 1.00 0.00 S ATOM 532 CE MET A 40 2.735 -10.143 -2.247 1.00 0.00 C ATOM 0 H MET A 40 3.748 -4.178 -2.632 1.00 0.00 H new ATOM 0 HA MET A 40 1.572 -6.083 -2.074 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.633 -7.057 -2.920 1.00 0.00 H new ATOM 0 HB3 MET A 40 4.593 -6.177 -1.747 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.019 -7.576 0.001 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.460 -7.988 -0.686 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.568 -11.093 -1.740 1.00 0.00 H new ATOM 0 HE2 MET A 40 1.875 -9.492 -2.091 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.867 -10.320 -3.314 1.00 0.00 H new ATOM 542 N VAL A 41 1.263 -5.548 0.315 1.00 0.00 N ATOM 543 CA VAL A 41 1.018 -5.195 1.708 1.00 0.00 C ATOM 544 C VAL A 41 1.148 -6.414 2.615 1.00 0.00 C ATOM 545 O VAL A 41 1.311 -7.539 2.141 1.00 0.00 O ATOM 546 CB VAL A 41 -0.381 -4.578 1.893 1.00 0.00 C ATOM 547 CG1 VAL A 41 -0.439 -3.190 1.275 1.00 0.00 C ATOM 548 CG2 VAL A 41 -1.445 -5.484 1.292 1.00 0.00 C ATOM 0 H VAL A 41 0.508 -6.073 -0.126 1.00 0.00 H new ATOM 0 HA VAL A 41 1.772 -4.458 1.985 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.579 -4.482 2.961 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.435 -2.770 1.416 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.297 -2.546 1.756 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.221 -3.257 0.209 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.428 -5.033 1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.253 -5.614 0.227 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.418 -6.455 1.787 1.00 0.00 H new ATOM 558 N TYR A 42 1.075 -6.183 3.921 1.00 0.00 N ATOM 559 CA TYR A 42 1.187 -7.262 4.895 1.00 0.00 C ATOM 560 C TYR A 42 0.275 -7.011 6.092 1.00 0.00 C ATOM 561 O TYR A 42 0.170 -5.888 6.582 1.00 0.00 O ATOM 562 CB TYR A 42 2.635 -7.406 5.364 1.00 0.00 C ATOM 563 CG TYR A 42 3.633 -7.498 4.231 1.00 0.00 C ATOM 564 CD1 TYR A 42 3.828 -8.691 3.547 1.00 0.00 C ATOM 565 CD2 TYR A 42 4.380 -6.392 3.846 1.00 0.00 C ATOM 566 CE1 TYR A 42 4.738 -8.780 2.512 1.00 0.00 C ATOM 567 CE2 TYR A 42 5.291 -6.471 2.811 1.00 0.00 C ATOM 568 CZ TYR A 42 5.467 -7.668 2.147 1.00 0.00 C ATOM 569 OH TYR A 42 6.375 -7.751 1.116 1.00 0.00 O ATOM 0 H TYR A 42 0.939 -5.258 4.330 1.00 0.00 H new ATOM 0 HA TYR A 42 0.876 -8.188 4.411 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.890 -6.554 5.994 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.720 -8.298 5.985 1.00 0.00 H new ATOM 0 HD1 TYR A 42 3.258 -9.564 3.829 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.246 -5.454 4.365 1.00 0.00 H new ATOM 0 HE1 TYR A 42 4.878 -9.716 1.991 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.862 -5.601 2.523 1.00 0.00 H new ATOM 0 HH TYR A 42 6.803 -6.879 0.986 1.00 0.00 H new ATOM 579 N GLY A 43 -0.382 -8.069 6.559 1.00 0.00 N ATOM 580 CA GLY A 43 -1.277 -7.944 7.695 1.00 0.00 C ATOM 581 C GLY A 43 -2.333 -6.877 7.488 1.00 0.00 C ATOM 582 O GLY A 43 -2.414 -6.251 6.431 1.00 0.00 O ATOM 0 H GLY A 43 -0.310 -9.010 6.171 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.764 -8.902 7.877 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.696 -7.708 8.587 1.00 0.00 H new ATOM 586 N PRO A 44 -3.168 -6.658 8.514 1.00 0.00 N ATOM 587 CA PRO A 44 -4.241 -5.660 8.462 1.00 0.00 C ATOM 588 C PRO A 44 -3.705 -4.232 8.467 1.00 0.00 C ATOM 589 O PRO A 44 -2.501 -4.011 8.342 1.00 0.00 O ATOM 590 CB PRO A 44 -5.042 -5.934 9.738 1.00 0.00 C ATOM 591 CG PRO A 44 -4.067 -6.570 10.668 1.00 0.00 C ATOM 592 CD PRO A 44 -3.130 -7.368 9.804 1.00 0.00 C ATOM 0 HA PRO A 44 -4.828 -5.740 7.547 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.446 -5.013 10.157 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.888 -6.592 9.541 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.525 -5.817 11.240 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.576 -7.211 11.388 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.123 -7.393 10.220 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.459 -8.402 9.703 1.00 0.00 H new ATOM 600 N MET A 45 -4.607 -3.267 8.611 1.00 0.00 N ATOM 601 CA MET A 45 -4.223 -1.860 8.633 1.00 0.00 C ATOM 602 C MET A 45 -4.233 -1.317 10.058 1.00 0.00 C ATOM 603 O MET A 45 -4.541 -2.039 11.006 1.00 0.00 O ATOM 604 CB MET A 45 -5.168 -1.038 7.755 1.00 0.00 C ATOM 605 CG MET A 45 -6.609 -1.045 8.240 1.00 0.00 C ATOM 606 SD MET A 45 -7.623 -2.267 7.386 1.00 0.00 S ATOM 607 CE MET A 45 -8.062 -1.366 5.902 1.00 0.00 C ATOM 0 H MET A 45 -5.608 -3.433 8.714 1.00 0.00 H new ATOM 0 HA MET A 45 -3.210 -1.779 8.239 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.811 -0.009 7.716 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.134 -1.426 6.737 1.00 0.00 H new ATOM 0 HG2 MET A 45 -6.627 -1.248 9.311 1.00 0.00 H new ATOM 0 HG3 MET A 45 -7.042 -0.055 8.096 1.00 0.00 H new ATOM 0 HE1 MET A 45 -8.662 -2.004 5.253 1.00 0.00 H new ATOM 0 HE2 MET A 45 -8.637 -0.480 6.171 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.155 -1.065 5.378 1.00 0.00 H new ATOM 617 N ASP A 46 -3.893 -0.040 10.202 1.00 0.00 N ATOM 618 CA ASP A 46 -3.863 0.600 11.512 1.00 0.00 C ATOM 619 C ASP A 46 -5.208 1.245 11.832 1.00 0.00 C ATOM 620 O ASP A 46 -6.186 1.056 11.108 1.00 0.00 O ATOM 621 CB ASP A 46 -2.754 1.652 11.563 1.00 0.00 C ATOM 622 CG ASP A 46 -1.937 1.570 12.838 1.00 0.00 C ATOM 623 OD1 ASP A 46 -1.255 0.543 13.039 1.00 0.00 O ATOM 624 OD2 ASP A 46 -1.979 2.531 13.634 1.00 0.00 O ATOM 0 H ASP A 46 -3.635 0.572 9.428 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.661 -0.167 12.260 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.095 1.524 10.704 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.195 2.645 11.481 1.00 0.00 H new ATOM 629 N ASP A 47 -5.250 2.004 12.921 1.00 0.00 N ATOM 630 CA ASP A 47 -6.475 2.677 13.338 1.00 0.00 C ATOM 631 C ASP A 47 -6.873 3.753 12.332 1.00 0.00 C ATOM 632 O ASP A 47 -8.058 3.987 12.096 1.00 0.00 O ATOM 633 CB ASP A 47 -6.295 3.298 14.724 1.00 0.00 C ATOM 634 CG ASP A 47 -7.548 4.000 15.210 1.00 0.00 C ATOM 635 OD1 ASP A 47 -8.621 3.361 15.220 1.00 0.00 O ATOM 636 OD2 ASP A 47 -7.454 5.188 15.582 1.00 0.00 O ATOM 0 H ASP A 47 -4.450 2.169 13.532 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.271 1.934 13.383 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.019 2.519 15.435 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.470 4.010 14.696 1.00 0.00 H new ATOM 641 N GLN A 48 -5.875 4.405 11.745 1.00 0.00 N ATOM 642 CA GLN A 48 -6.122 5.458 10.767 1.00 0.00 C ATOM 643 C GLN A 48 -6.618 4.871 9.450 1.00 0.00 C ATOM 644 O GLN A 48 -7.316 5.538 8.686 1.00 0.00 O ATOM 645 CB GLN A 48 -4.848 6.271 10.529 1.00 0.00 C ATOM 646 CG GLN A 48 -4.475 7.173 11.694 1.00 0.00 C ATOM 647 CD GLN A 48 -5.510 8.251 11.951 1.00 0.00 C ATOM 648 OE1 GLN A 48 -5.961 8.928 11.027 1.00 0.00 O ATOM 649 NE2 GLN A 48 -5.891 8.417 13.212 1.00 0.00 N ATOM 0 H GLN A 48 -4.888 4.223 11.929 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.895 6.115 11.165 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.022 5.587 10.331 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.978 6.881 9.635 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.355 6.568 12.593 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.511 7.640 11.493 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -5.491 7.833 13.947 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.584 9.128 13.446 1.00 0.00 H new ATOM 658 N GLY A 49 -6.254 3.619 9.190 1.00 0.00 N ATOM 659 CA GLY A 49 -6.671 2.964 7.964 1.00 0.00 C ATOM 660 C GLY A 49 -5.555 2.884 6.941 1.00 0.00 C ATOM 661 O GLY A 49 -5.785 3.069 5.745 1.00 0.00 O ATOM 0 H GLY A 49 -5.678 3.047 9.807 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.021 1.958 8.194 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.515 3.505 7.535 1.00 0.00 H new ATOM 665 N PHE A 50 -4.343 2.609 7.410 1.00 0.00 N ATOM 666 CA PHE A 50 -3.186 2.507 6.528 1.00 0.00 C ATOM 667 C PHE A 50 -2.597 1.100 6.563 1.00 0.00 C ATOM 668 O PHE A 50 -2.489 0.487 7.626 1.00 0.00 O ATOM 669 CB PHE A 50 -2.120 3.528 6.930 1.00 0.00 C ATOM 670 CG PHE A 50 -2.398 4.915 6.424 1.00 0.00 C ATOM 671 CD1 PHE A 50 -3.244 5.764 7.118 1.00 0.00 C ATOM 672 CD2 PHE A 50 -1.813 5.369 5.252 1.00 0.00 C ATOM 673 CE1 PHE A 50 -3.502 7.041 6.656 1.00 0.00 C ATOM 674 CE2 PHE A 50 -2.067 6.645 4.785 1.00 0.00 C ATOM 675 CZ PHE A 50 -2.913 7.481 5.487 1.00 0.00 C ATOM 0 H PHE A 50 -4.136 2.453 8.396 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.517 2.718 5.511 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.045 3.555 8.017 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.152 3.199 6.552 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.708 5.424 8.032 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.152 4.719 4.698 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.163 7.693 7.208 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.604 6.988 3.872 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.114 8.478 5.122 1.00 0.00 H new ATOM 685 N TYR A 51 -2.219 0.594 5.395 1.00 0.00 N ATOM 686 CA TYR A 51 -1.644 -0.742 5.291 1.00 0.00 C ATOM 687 C TYR A 51 -0.119 -0.681 5.306 1.00 0.00 C ATOM 688 O TYR A 51 0.474 0.364 5.041 1.00 0.00 O ATOM 689 CB TYR A 51 -2.125 -1.429 4.011 1.00 0.00 C ATOM 690 CG TYR A 51 -3.477 -2.090 4.151 1.00 0.00 C ATOM 691 CD1 TYR A 51 -3.730 -2.990 5.179 1.00 0.00 C ATOM 692 CD2 TYR A 51 -4.503 -1.814 3.256 1.00 0.00 C ATOM 693 CE1 TYR A 51 -4.964 -3.597 5.310 1.00 0.00 C ATOM 694 CE2 TYR A 51 -5.741 -2.415 3.380 1.00 0.00 C ATOM 695 CZ TYR A 51 -5.966 -3.307 4.408 1.00 0.00 C ATOM 696 OH TYR A 51 -7.197 -3.908 4.536 1.00 0.00 O ATOM 0 H TYR A 51 -2.300 1.089 4.507 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.976 -1.321 6.153 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.171 -0.693 3.209 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.392 -2.179 3.714 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.948 -3.219 5.888 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.330 -1.117 2.449 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.143 -4.295 6.115 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.528 -2.188 2.676 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.442 -3.954 5.484 1.00 0.00 H new ATOM 706 N TYR A 52 0.507 -1.810 5.618 1.00 0.00 N ATOM 707 CA TYR A 52 1.963 -1.887 5.670 1.00 0.00 C ATOM 708 C TYR A 52 2.512 -2.649 4.468 1.00 0.00 C ATOM 709 O TYR A 52 2.484 -3.878 4.433 1.00 0.00 O ATOM 710 CB TYR A 52 2.412 -2.564 6.966 1.00 0.00 C ATOM 711 CG TYR A 52 3.913 -2.597 7.143 1.00 0.00 C ATOM 712 CD1 TYR A 52 4.666 -1.431 7.076 1.00 0.00 C ATOM 713 CD2 TYR A 52 4.579 -3.794 7.379 1.00 0.00 C ATOM 714 CE1 TYR A 52 6.038 -1.457 7.236 1.00 0.00 C ATOM 715 CE2 TYR A 52 5.950 -3.829 7.541 1.00 0.00 C ATOM 716 CZ TYR A 52 6.675 -2.658 7.469 1.00 0.00 C ATOM 717 OH TYR A 52 8.042 -2.687 7.630 1.00 0.00 O ATOM 0 H TYR A 52 0.030 -2.684 5.839 1.00 0.00 H new ATOM 0 HA TYR A 52 2.357 -0.871 5.643 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.966 -2.042 7.812 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.030 -3.585 6.984 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.170 -0.489 6.896 1.00 0.00 H new ATOM 0 HD2 TYR A 52 4.014 -4.713 7.437 1.00 0.00 H new ATOM 0 HE1 TYR A 52 6.609 -0.542 7.179 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.452 -4.768 7.723 1.00 0.00 H new ATOM 0 HH TYR A 52 8.333 -3.609 7.787 1.00 0.00 H new ATOM 727 N GLY A 53 3.011 -1.908 3.484 1.00 0.00 N ATOM 728 CA GLY A 53 3.560 -2.529 2.293 1.00 0.00 C ATOM 729 C GLY A 53 4.830 -1.851 1.818 1.00 0.00 C ATOM 730 O GLY A 53 5.379 -0.995 2.510 1.00 0.00 O ATOM 0 H GLY A 53 3.045 -0.889 3.490 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.767 -3.579 2.497 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.817 -2.500 1.496 1.00 0.00 H new ATOM 734 N GLU A 54 5.298 -2.237 0.635 1.00 0.00 N ATOM 735 CA GLU A 54 6.513 -1.661 0.071 1.00 0.00 C ATOM 736 C GLU A 54 6.452 -1.649 -1.454 1.00 0.00 C ATOM 737 O GLU A 54 6.049 -2.631 -2.078 1.00 0.00 O ATOM 738 CB GLU A 54 7.741 -2.446 0.537 1.00 0.00 C ATOM 739 CG GLU A 54 7.928 -3.769 -0.187 1.00 0.00 C ATOM 740 CD GLU A 54 9.149 -4.529 0.294 1.00 0.00 C ATOM 741 OE1 GLU A 54 10.245 -3.932 0.328 1.00 0.00 O ATOM 742 OE2 GLU A 54 9.007 -5.722 0.637 1.00 0.00 O ATOM 0 H GLU A 54 4.855 -2.945 0.050 1.00 0.00 H new ATOM 0 HA GLU A 54 6.594 -0.632 0.423 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.630 -1.833 0.392 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.656 -2.636 1.607 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.041 -4.386 -0.044 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.018 -3.584 -1.257 1.00 0.00 H new ATOM 749 N LEU A 55 6.855 -0.531 -2.048 1.00 0.00 N ATOM 750 CA LEU A 55 6.847 -0.390 -3.500 1.00 0.00 C ATOM 751 C LEU A 55 8.163 0.197 -3.997 1.00 0.00 C ATOM 752 O LEU A 55 8.492 1.347 -3.707 1.00 0.00 O ATOM 753 CB LEU A 55 5.681 0.499 -3.939 1.00 0.00 C ATOM 754 CG LEU A 55 5.594 0.801 -5.435 1.00 0.00 C ATOM 755 CD1 LEU A 55 4.790 -0.274 -6.150 1.00 0.00 C ATOM 756 CD2 LEU A 55 4.978 2.173 -5.667 1.00 0.00 C ATOM 0 H LEU A 55 7.191 0.291 -1.547 1.00 0.00 H new ATOM 0 HA LEU A 55 6.725 -1.381 -3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.751 0.022 -3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.749 1.445 -3.401 1.00 0.00 H new ATOM 0 HG LEU A 55 6.604 0.804 -5.845 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.738 -0.043 -7.214 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.273 -1.242 -6.012 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.782 -0.309 -5.737 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.924 2.371 -6.737 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.975 2.198 -5.242 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.594 2.934 -5.188 1.00 0.00 H new ATOM 768 N GLY A 56 8.914 -0.600 -4.752 1.00 0.00 N ATOM 769 CA GLY A 56 10.185 -0.142 -5.280 1.00 0.00 C ATOM 770 C GLY A 56 11.238 0.016 -4.201 1.00 0.00 C ATOM 771 O GLY A 56 11.855 1.073 -4.075 1.00 0.00 O ATOM 0 H GLY A 56 8.664 -1.555 -5.007 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.540 -0.850 -6.029 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.042 0.813 -5.786 1.00 0.00 H new ATOM 775 N GLY A 57 11.444 -1.038 -3.417 1.00 0.00 N ATOM 776 CA GLY A 57 12.428 -0.990 -2.352 1.00 0.00 C ATOM 777 C GLY A 57 12.142 0.107 -1.346 1.00 0.00 C ATOM 778 O GLY A 57 13.041 0.560 -0.637 1.00 0.00 O ATOM 0 H GLY A 57 10.947 -1.925 -3.501 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.451 -1.952 -1.839 1.00 0.00 H new ATOM 0 HA3 GLY A 57 13.417 -0.835 -2.783 1.00 0.00 H new ATOM 782 N HIS A 58 10.886 0.538 -1.285 1.00 0.00 N ATOM 783 CA HIS A 58 10.483 1.591 -0.359 1.00 0.00 C ATOM 784 C HIS A 58 9.313 1.135 0.507 1.00 0.00 C ATOM 785 O HIS A 58 8.199 0.953 0.016 1.00 0.00 O ATOM 786 CB HIS A 58 10.101 2.857 -1.128 1.00 0.00 C ATOM 787 CG HIS A 58 11.280 3.668 -1.570 1.00 0.00 C ATOM 788 ND1 HIS A 58 12.016 4.455 -0.710 1.00 0.00 N ATOM 789 CD2 HIS A 58 11.850 3.809 -2.789 1.00 0.00 C ATOM 790 CE1 HIS A 58 12.988 5.047 -1.382 1.00 0.00 C ATOM 791 NE2 HIS A 58 12.909 4.672 -2.646 1.00 0.00 N ATOM 0 H HIS A 58 10.130 0.175 -1.865 1.00 0.00 H new ATOM 0 HA HIS A 58 11.329 1.812 0.292 1.00 0.00 H new ATOM 0 HB2 HIS A 58 9.514 2.578 -2.003 1.00 0.00 H new ATOM 0 HB3 HIS A 58 9.461 3.475 -0.499 1.00 0.00 H new ATOM 0 HD2 HIS A 58 11.532 3.332 -3.704 1.00 0.00 H new ATOM 0 HE1 HIS A 58 13.722 5.722 -0.968 1.00 0.00 H new ATOM 0 HE2 HIS A 58 13.533 4.974 -3.394 1.00 0.00 H new ATOM 799 N ARG A 59 9.574 0.951 1.797 1.00 0.00 N ATOM 800 CA ARG A 59 8.543 0.514 2.731 1.00 0.00 C ATOM 801 C ARG A 59 7.871 1.711 3.398 1.00 0.00 C ATOM 802 O ARG A 59 8.416 2.814 3.410 1.00 0.00 O ATOM 803 CB ARG A 59 9.145 -0.405 3.795 1.00 0.00 C ATOM 804 CG ARG A 59 9.418 -1.816 3.298 1.00 0.00 C ATOM 805 CD ARG A 59 10.595 -2.445 4.027 1.00 0.00 C ATOM 806 NE ARG A 59 11.111 -3.617 3.324 1.00 0.00 N ATOM 807 CZ ARG A 59 10.565 -4.825 3.409 1.00 0.00 C ATOM 808 NH1 ARG A 59 9.491 -5.019 4.162 1.00 0.00 N ATOM 809 NH2 ARG A 59 11.092 -5.841 2.739 1.00 0.00 N ATOM 0 H ARG A 59 10.491 1.098 2.219 1.00 0.00 H new ATOM 0 HA ARG A 59 7.789 -0.037 2.169 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.077 0.031 4.154 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.467 -0.454 4.647 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.530 -2.431 3.440 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.622 -1.793 2.227 1.00 0.00 H new ATOM 0 HD2 ARG A 59 11.390 -1.708 4.135 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.287 -2.732 5.033 1.00 0.00 H new ATOM 0 HE ARG A 59 11.936 -3.501 2.735 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.082 -4.240 4.678 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.074 -5.948 4.226 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.917 -5.695 2.158 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.672 -6.768 2.805 1.00 0.00 H new ATOM 823 N GLY A 60 6.684 1.484 3.952 1.00 0.00 N ATOM 824 CA GLY A 60 5.957 2.552 4.612 1.00 0.00 C ATOM 825 C GLY A 60 4.461 2.311 4.630 1.00 0.00 C ATOM 826 O GLY A 60 3.969 1.368 4.008 1.00 0.00 O ATOM 0 H GLY A 60 6.213 0.579 3.955 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.318 2.654 5.636 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.164 3.495 4.106 1.00 0.00 H new ATOM 830 N LEU A 61 3.734 3.163 5.345 1.00 0.00 N ATOM 831 CA LEU A 61 2.284 3.037 5.442 1.00 0.00 C ATOM 832 C LEU A 61 1.607 3.539 4.171 1.00 0.00 C ATOM 833 O LEU A 61 1.903 4.632 3.687 1.00 0.00 O ATOM 834 CB LEU A 61 1.765 3.816 6.652 1.00 0.00 C ATOM 835 CG LEU A 61 2.010 3.176 8.018 1.00 0.00 C ATOM 836 CD1 LEU A 61 1.612 4.130 9.134 1.00 0.00 C ATOM 837 CD2 LEU A 61 1.245 1.865 8.138 1.00 0.00 C ATOM 0 H LEU A 61 4.125 3.948 5.866 1.00 0.00 H new ATOM 0 HA LEU A 61 2.043 1.981 5.566 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.226 4.804 6.648 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.692 3.965 6.530 1.00 0.00 H new ATOM 0 HG LEU A 61 3.075 2.963 8.112 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.794 3.657 10.099 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.203 5.043 9.060 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.554 4.375 9.043 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.431 1.423 9.117 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.178 2.055 8.023 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.578 1.177 7.360 1.00 0.00 H new ATOM 849 N VAL A 62 0.696 2.733 3.634 1.00 0.00 N ATOM 850 CA VAL A 62 -0.026 3.097 2.421 1.00 0.00 C ATOM 851 C VAL A 62 -1.516 3.267 2.698 1.00 0.00 C ATOM 852 O VAL A 62 -2.062 2.715 3.653 1.00 0.00 O ATOM 853 CB VAL A 62 0.162 2.038 1.318 1.00 0.00 C ATOM 854 CG1 VAL A 62 1.525 2.188 0.661 1.00 0.00 C ATOM 855 CG2 VAL A 62 -0.014 0.639 1.887 1.00 0.00 C ATOM 0 H VAL A 62 0.441 1.824 4.020 1.00 0.00 H new ATOM 0 HA VAL A 62 0.387 4.046 2.079 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.601 2.193 0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.640 1.432 -0.115 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.607 3.180 0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.306 2.060 1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.122 -0.096 1.094 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.725 0.469 2.670 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.016 0.540 2.306 1.00 0.00 H new ATOM 865 N PRO A 63 -2.190 4.051 1.843 1.00 0.00 N ATOM 866 CA PRO A 63 -3.627 4.312 1.974 1.00 0.00 C ATOM 867 C PRO A 63 -4.471 3.080 1.665 1.00 0.00 C ATOM 868 O PRO A 63 -4.322 2.463 0.610 1.00 0.00 O ATOM 869 CB PRO A 63 -3.884 5.410 0.939 1.00 0.00 C ATOM 870 CG PRO A 63 -2.805 5.236 -0.073 1.00 0.00 C ATOM 871 CD PRO A 63 -1.603 4.741 0.683 1.00 0.00 C ATOM 0 HA PRO A 63 -3.899 4.594 2.991 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.871 5.306 0.488 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.845 6.400 1.394 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.103 4.523 -0.842 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.588 6.177 -0.578 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.998 4.066 0.078 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.955 5.562 0.989 1.00 0.00 H new ATOM 879 N ALA A 64 -5.357 2.727 2.590 1.00 0.00 N ATOM 880 CA ALA A 64 -6.226 1.570 2.414 1.00 0.00 C ATOM 881 C ALA A 64 -7.512 1.955 1.690 1.00 0.00 C ATOM 882 O ALA A 64 -8.444 1.156 1.592 1.00 0.00 O ATOM 883 CB ALA A 64 -6.545 0.940 3.762 1.00 0.00 C ATOM 0 H ALA A 64 -5.492 3.226 3.469 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.699 0.840 1.800 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.195 0.077 3.616 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.620 0.621 4.242 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.049 1.670 4.395 1.00 0.00 H new ATOM 889 N HIS A 65 -7.556 3.183 1.184 1.00 0.00 N ATOM 890 CA HIS A 65 -8.728 3.674 0.468 1.00 0.00 C ATOM 891 C HIS A 65 -8.394 3.957 -0.993 1.00 0.00 C ATOM 892 O HIS A 65 -9.268 3.921 -1.860 1.00 0.00 O ATOM 893 CB HIS A 65 -9.266 4.940 1.135 1.00 0.00 C ATOM 894 CG HIS A 65 -8.251 6.035 1.249 1.00 0.00 C ATOM 895 ND1 HIS A 65 -7.243 6.032 2.191 1.00 0.00 N ATOM 896 CD2 HIS A 65 -8.090 7.171 0.532 1.00 0.00 C ATOM 897 CE1 HIS A 65 -6.508 7.120 2.049 1.00 0.00 C ATOM 898 NE2 HIS A 65 -7.000 7.828 1.049 1.00 0.00 N ATOM 0 H HIS A 65 -6.793 3.857 1.256 1.00 0.00 H new ATOM 0 HA HIS A 65 -9.495 2.900 0.503 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -10.120 5.306 0.565 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -9.631 4.689 2.131 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -8.704 7.500 -0.293 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -5.650 7.386 2.649 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -6.631 8.718 0.715 1.00 0.00 H new ATOM 906 N LEU A 66 -7.123 4.240 -1.260 1.00 0.00 N ATOM 907 CA LEU A 66 -6.673 4.531 -2.616 1.00 0.00 C ATOM 908 C LEU A 66 -6.358 3.245 -3.373 1.00 0.00 C ATOM 909 O LEU A 66 -6.468 3.189 -4.598 1.00 0.00 O ATOM 910 CB LEU A 66 -5.437 5.432 -2.583 1.00 0.00 C ATOM 911 CG LEU A 66 -5.635 6.819 -1.970 1.00 0.00 C ATOM 912 CD1 LEU A 66 -4.313 7.569 -1.909 1.00 0.00 C ATOM 913 CD2 LEU A 66 -6.663 7.612 -2.765 1.00 0.00 C ATOM 0 H LEU A 66 -6.387 4.274 -0.555 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.479 5.049 -3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.653 4.919 -2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.075 5.556 -3.604 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.007 6.696 -0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.473 8.554 -1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.605 7.010 -1.297 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.912 7.682 -2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.791 8.596 -2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.319 7.726 -3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.616 7.083 -2.757 1.00 0.00 H new ATOM 925 N LEU A 67 -5.966 2.212 -2.635 1.00 0.00 N ATOM 926 CA LEU A 67 -5.637 0.923 -3.236 1.00 0.00 C ATOM 927 C LEU A 67 -6.894 0.218 -3.734 1.00 0.00 C ATOM 928 O LEU A 67 -8.011 0.592 -3.377 1.00 0.00 O ATOM 929 CB LEU A 67 -4.908 0.038 -2.223 1.00 0.00 C ATOM 930 CG LEU A 67 -3.478 0.453 -1.875 1.00 0.00 C ATOM 931 CD1 LEU A 67 -2.864 -0.526 -0.886 1.00 0.00 C ATOM 932 CD2 LEU A 67 -2.629 0.546 -3.134 1.00 0.00 C ATOM 0 H LEU A 67 -5.868 2.241 -1.620 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.983 1.103 -4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.492 0.016 -1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.885 -0.980 -2.611 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.509 1.437 -1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.846 -0.215 -0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.459 -0.542 0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.846 -1.523 -1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.614 0.842 -2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.605 -0.425 -3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.058 1.287 -3.808 1.00 0.00 H new ATOM 944 N ASP A 68 -6.703 -0.806 -4.558 1.00 0.00 N ATOM 945 CA ASP A 68 -7.821 -1.567 -5.104 1.00 0.00 C ATOM 946 C ASP A 68 -7.556 -3.067 -5.008 1.00 0.00 C ATOM 947 O ASP A 68 -6.457 -3.533 -5.308 1.00 0.00 O ATOM 948 CB ASP A 68 -8.073 -1.173 -6.560 1.00 0.00 C ATOM 949 CG ASP A 68 -9.476 -1.517 -7.019 1.00 0.00 C ATOM 950 OD1 ASP A 68 -10.410 -1.420 -6.195 1.00 0.00 O ATOM 951 OD2 ASP A 68 -9.641 -1.885 -8.201 1.00 0.00 O ATOM 0 H ASP A 68 -5.785 -1.128 -4.863 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.708 -1.334 -4.515 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.908 -0.102 -6.677 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.350 -1.679 -7.200 1.00 0.00 H new ATOM 956 N HIS A 69 -8.570 -3.816 -4.589 1.00 0.00 N ATOM 957 CA HIS A 69 -8.446 -5.264 -4.454 1.00 0.00 C ATOM 958 C HIS A 69 -8.560 -5.948 -5.813 1.00 0.00 C ATOM 959 O HIS A 69 -9.654 -6.084 -6.360 1.00 0.00 O ATOM 960 CB HIS A 69 -9.520 -5.802 -3.507 1.00 0.00 C ATOM 961 CG HIS A 69 -9.479 -5.185 -2.143 1.00 0.00 C ATOM 962 ND1 HIS A 69 -9.860 -3.884 -1.894 1.00 0.00 N ATOM 963 CD2 HIS A 69 -9.102 -5.700 -0.949 1.00 0.00 C ATOM 964 CE1 HIS A 69 -9.717 -3.624 -0.607 1.00 0.00 C ATOM 965 NE2 HIS A 69 -9.259 -4.710 -0.011 1.00 0.00 N ATOM 0 H HIS A 69 -9.486 -3.446 -4.337 1.00 0.00 H new ATOM 0 HA HIS A 69 -7.462 -5.483 -4.038 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.502 -5.626 -3.947 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.402 -6.881 -3.412 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -8.744 -6.703 -0.768 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -9.937 -2.683 -0.124 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -9.055 -4.799 0.984 1.00 0.00 H new ATOM 973 N MET A 70 -7.423 -6.375 -6.351 1.00 0.00 N ATOM 974 CA MET A 70 -7.395 -7.046 -7.646 1.00 0.00 C ATOM 975 C MET A 70 -8.334 -8.248 -7.655 1.00 0.00 C ATOM 976 O MET A 70 -8.660 -8.801 -6.605 1.00 0.00 O ATOM 977 CB MET A 70 -5.971 -7.493 -7.983 1.00 0.00 C ATOM 978 CG MET A 70 -5.172 -6.450 -8.748 1.00 0.00 C ATOM 979 SD MET A 70 -3.821 -7.171 -9.699 1.00 0.00 S ATOM 980 CE MET A 70 -2.434 -6.854 -8.610 1.00 0.00 C ATOM 0 H MET A 70 -6.509 -6.269 -5.911 1.00 0.00 H new ATOM 0 HA MET A 70 -7.733 -6.337 -8.402 1.00 0.00 H new ATOM 0 HB2 MET A 70 -5.446 -7.735 -7.059 1.00 0.00 H new ATOM 0 HB3 MET A 70 -6.016 -8.409 -8.573 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.838 -5.910 -9.421 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.768 -5.720 -8.046 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.677 -6.278 -9.143 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.775 -6.290 -7.742 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.005 -7.801 -8.282 1.00 0.00 H new ATOM 990 N SER A 71 -8.765 -8.647 -8.848 1.00 0.00 N ATOM 991 CA SER A 71 -9.670 -9.782 -8.993 1.00 0.00 C ATOM 992 C SER A 71 -8.889 -11.074 -9.216 1.00 0.00 C ATOM 993 O SER A 71 -7.867 -11.084 -9.904 1.00 0.00 O ATOM 994 CB SER A 71 -10.634 -9.547 -10.158 1.00 0.00 C ATOM 995 OG SER A 71 -11.545 -10.624 -10.291 1.00 0.00 O ATOM 0 H SER A 71 -8.502 -8.202 -9.727 1.00 0.00 H new ATOM 0 HA SER A 71 -10.243 -9.879 -8.071 1.00 0.00 H new ATOM 0 HB2 SER A 71 -11.184 -8.619 -9.998 1.00 0.00 H new ATOM 0 HB3 SER A 71 -10.070 -9.428 -11.083 1.00 0.00 H new ATOM 0 HG SER A 71 -12.151 -10.449 -11.041 1.00 0.00 H new ATOM 1001 N LEU A 72 -9.379 -12.161 -8.631 1.00 0.00 N ATOM 1002 CA LEU A 72 -8.728 -13.460 -8.765 1.00 0.00 C ATOM 1003 C LEU A 72 -9.720 -14.520 -9.235 1.00 0.00 C ATOM 1004 O LEU A 72 -10.914 -14.439 -8.946 1.00 0.00 O ATOM 1005 CB LEU A 72 -8.108 -13.882 -7.432 1.00 0.00 C ATOM 1006 CG LEU A 72 -6.877 -13.092 -6.985 1.00 0.00 C ATOM 1007 CD1 LEU A 72 -6.451 -13.513 -5.587 1.00 0.00 C ATOM 1008 CD2 LEU A 72 -5.734 -13.282 -7.972 1.00 0.00 C ATOM 0 H LEU A 72 -10.224 -12.169 -8.060 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.940 -13.368 -9.513 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.870 -13.798 -6.657 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.835 -14.935 -7.498 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.138 -12.034 -6.960 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.574 -12.940 -5.286 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.265 -13.325 -4.887 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.209 -14.576 -5.585 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.866 -12.713 -7.638 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.474 -14.339 -8.029 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.041 -12.930 -8.957 1.00 0.00 H new ATOM 1020 N HIS A 73 -9.217 -15.513 -9.961 1.00 0.00 N ATOM 1021 CA HIS A 73 -10.058 -16.591 -10.469 1.00 0.00 C ATOM 1022 C HIS A 73 -10.787 -17.295 -9.328 1.00 0.00 C ATOM 1023 O HIS A 73 -11.968 -17.620 -9.440 1.00 0.00 O ATOM 1024 CB HIS A 73 -9.215 -17.599 -11.251 1.00 0.00 C ATOM 1025 CG HIS A 73 -10.023 -18.492 -12.141 1.00 0.00 C ATOM 1026 ND1 HIS A 73 -10.792 -19.533 -11.666 1.00 0.00 N ATOM 1027 CD2 HIS A 73 -10.180 -18.494 -13.486 1.00 0.00 C ATOM 1028 CE1 HIS A 73 -11.386 -20.138 -12.679 1.00 0.00 C ATOM 1029 NE2 HIS A 73 -11.031 -19.527 -13.795 1.00 0.00 N ATOM 0 H HIS A 73 -8.231 -15.594 -10.211 1.00 0.00 H new ATOM 0 HA HIS A 73 -10.801 -16.155 -11.137 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -8.487 -17.059 -11.856 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -8.653 -18.213 -10.548 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -9.722 -17.811 -14.185 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -12.049 -20.988 -12.607 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -11.339 -19.781 -14.734 1.00 0.00 H new ATOM 1037 N GLY A 74 -10.073 -17.529 -8.231 1.00 0.00 N ATOM 1038 CA GLY A 74 -10.668 -18.194 -7.086 1.00 0.00 C ATOM 1039 C GLY A 74 -10.387 -19.683 -7.071 1.00 0.00 C ATOM 1040 O GLY A 74 -11.042 -20.453 -7.773 1.00 0.00 O ATOM 0 H GLY A 74 -9.093 -17.270 -8.115 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.285 -17.746 -6.169 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.746 -18.031 -7.094 1.00 0.00 H new ATOM 1044 N HIS A 75 -9.409 -20.091 -6.268 1.00 0.00 N ATOM 1045 CA HIS A 75 -9.042 -21.499 -6.164 1.00 0.00 C ATOM 1046 C HIS A 75 -10.246 -22.346 -5.766 1.00 0.00 C ATOM 1047 O HIS A 75 -10.811 -22.170 -4.685 1.00 0.00 O ATOM 1048 CB HIS A 75 -7.916 -21.680 -5.146 1.00 0.00 C ATOM 1049 CG HIS A 75 -6.627 -21.037 -5.556 1.00 0.00 C ATOM 1050 ND1 HIS A 75 -5.645 -21.702 -6.259 1.00 0.00 N ATOM 1051 CD2 HIS A 75 -6.163 -19.781 -5.361 1.00 0.00 C ATOM 1052 CE1 HIS A 75 -4.631 -20.882 -6.477 1.00 0.00 C ATOM 1053 NE2 HIS A 75 -4.921 -19.710 -5.942 1.00 0.00 N ATOM 0 H HIS A 75 -8.857 -19.467 -5.680 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.694 -21.832 -7.142 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -8.232 -21.263 -4.190 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -7.747 -22.745 -4.989 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.675 -18.983 -4.844 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -3.721 -21.129 -7.003 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -4.320 -18.886 -5.958 1.00 0.00 H new TER 1061 HIS A 75