USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 723 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 53 SER OG : rot 180:sc= -0.315 USER MOD Set 1.2: A 65 THR OG1 : rot -160:sc= -0.716 USER MOD Set 2.1: A 36 GLN : amide:sc= -13.7! C(o=-19!,f=-22!) USER MOD Set 2.2: A 48 ASN : amide:sc= -5.72! C(o=-19!,f=-36!) USER MOD Set 3.1: A 27 GLN : amide:sc= -6.03! C(o=-12!,f=-3.4!) USER MOD Set 3.2: A 30 THR OG1 : rot -140:sc= 0 USER MOD Set 3.3: A 32 TYR OH : rot -64:sc= -6.11! USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.162 USER MOD Single : A 8 THR OG1 : rot -139:sc= -6.25! USER MOD Single : A 10 SER OG : rot 180:sc=0.000882 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 113:sc= 1.19 USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.356) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.403 K(o=-0.4,f=-3.5!) USER MOD Single : A 62 SER OG : rot 36:sc= 0.446 USER MOD Single : A 64 SER OG : rot 18:sc= 0.141! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 140:sc= -2.64! USER MOD Single : A 72 SER OG : rot 180:sc= -0.0117 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 94:sc= 0.129 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.209 K(o=-0.21,f=-1.9!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -8.53! C(o=-8.5!,f=-7.5!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.0803 X(o=-0.08,f=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ALA A 2 3.582 12.602 -5.397 1.00 0.00 N ATOM 12 CA ALA A 2 3.933 11.772 -4.263 1.00 0.00 C ATOM 13 C ALA A 2 5.265 12.226 -3.684 1.00 0.00 C ATOM 14 O ALA A 2 6.181 12.571 -4.427 1.00 0.00 O ATOM 15 CB ALA A 2 4.004 10.313 -4.704 1.00 0.00 C ATOM 0 HA ALA A 2 3.172 11.867 -3.489 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.268 9.688 -3.851 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.035 10.003 -5.095 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.760 10.204 -5.482 1.00 0.00 H new ATOM 21 N PRO A 3 5.371 12.226 -2.353 1.00 0.00 N ATOM 22 CA PRO A 3 6.560 12.624 -1.630 1.00 0.00 C ATOM 23 C PRO A 3 7.634 11.558 -1.786 1.00 0.00 C ATOM 24 O PRO A 3 7.446 10.587 -2.516 1.00 0.00 O ATOM 25 CB PRO A 3 6.111 12.741 -0.174 1.00 0.00 C ATOM 26 CG PRO A 3 4.986 11.710 -0.084 1.00 0.00 C ATOM 27 CD PRO A 3 4.314 11.827 -1.450 1.00 0.00 C ATOM 0 HA PRO A 3 6.986 13.559 -1.995 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.922 12.517 0.519 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.759 13.745 0.062 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.370 10.706 0.094 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.295 11.935 0.728 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.871 10.879 -1.755 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.510 12.563 -1.433 1.00 0.00 H new ATOM 35 N THR A 4 8.764 11.740 -1.099 1.00 0.00 N ATOM 36 CA THR A 4 9.858 10.792 -1.169 1.00 0.00 C ATOM 37 C THR A 4 9.812 9.858 0.031 1.00 0.00 C ATOM 38 O THR A 4 10.091 10.270 1.155 1.00 0.00 O ATOM 39 CB THR A 4 11.183 11.549 -1.214 1.00 0.00 C ATOM 40 OG1 THR A 4 12.067 10.896 -2.097 1.00 0.00 O ATOM 41 CG2 THR A 4 11.795 11.586 0.184 1.00 0.00 C ATOM 0 H THR A 4 8.937 12.539 -0.489 1.00 0.00 H new ATOM 0 HA THR A 4 9.765 10.191 -2.074 1.00 0.00 H new ATOM 0 HB THR A 4 11.009 12.567 -1.561 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.917 11.382 -2.128 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.741 12.126 0.153 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.112 12.090 0.867 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.970 10.568 0.532 1.00 0.00 H new ATOM 49 N ALA A 5 9.458 8.593 -0.210 1.00 0.00 N ATOM 50 CA ALA A 5 9.376 7.607 0.848 1.00 0.00 C ATOM 51 C ALA A 5 10.272 6.421 0.519 1.00 0.00 C ATOM 52 O ALA A 5 10.311 5.968 -0.623 1.00 0.00 O ATOM 53 CB ALA A 5 7.927 7.160 1.014 1.00 0.00 C ATOM 0 H ALA A 5 9.224 8.235 -1.136 1.00 0.00 H new ATOM 0 HA ALA A 5 9.717 8.045 1.786 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.864 6.418 1.810 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.308 8.020 1.270 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.572 6.722 0.081 1.00 0.00 H new ATOM 59 N THR A 6 10.995 5.919 1.523 1.00 0.00 N ATOM 60 CA THR A 6 11.883 4.791 1.331 1.00 0.00 C ATOM 61 C THR A 6 11.278 3.541 1.954 1.00 0.00 C ATOM 62 O THR A 6 11.151 3.452 3.174 1.00 0.00 O ATOM 63 CB THR A 6 13.241 5.102 1.954 1.00 0.00 C ATOM 64 OG1 THR A 6 13.062 5.936 3.077 1.00 0.00 O ATOM 65 CG2 THR A 6 14.121 5.812 0.929 1.00 0.00 C ATOM 0 H THR A 6 10.976 6.283 2.476 1.00 0.00 H new ATOM 0 HA THR A 6 12.019 4.610 0.265 1.00 0.00 H new ATOM 0 HB THR A 6 13.720 4.173 2.263 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.933 6.135 3.479 1.00 0.00 H new ATOM 0 HG21 THR A 6 15.091 6.034 1.374 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.259 5.169 0.060 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.642 6.741 0.620 1.00 0.00 H new ATOM 73 N VAL A 7 10.904 2.575 1.113 1.00 0.00 N ATOM 74 CA VAL A 7 10.315 1.337 1.582 1.00 0.00 C ATOM 75 C VAL A 7 11.325 0.206 1.456 1.00 0.00 C ATOM 76 O VAL A 7 12.244 0.280 0.644 1.00 0.00 O ATOM 77 CB VAL A 7 9.058 1.033 0.772 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.458 2.338 0.255 1.00 0.00 C ATOM 79 CG2 VAL A 7 9.418 0.136 -0.408 1.00 0.00 C ATOM 0 H VAL A 7 11.003 2.635 0.100 1.00 0.00 H new ATOM 0 HA VAL A 7 10.039 1.436 2.632 1.00 0.00 H new ATOM 0 HB VAL A 7 8.331 0.525 1.406 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.560 2.121 -0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.201 2.979 1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.184 2.846 -0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.520 -0.081 -0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.145 0.643 -1.042 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.846 -0.796 -0.039 1.00 0.00 H new ATOM 89 N THR A 8 11.153 -0.844 2.262 1.00 0.00 N ATOM 90 CA THR A 8 12.050 -1.982 2.232 1.00 0.00 C ATOM 91 C THR A 8 11.909 -2.719 0.908 1.00 0.00 C ATOM 92 O THR A 8 11.083 -2.352 0.075 1.00 0.00 O ATOM 93 CB THR A 8 11.734 -2.909 3.403 1.00 0.00 C ATOM 94 OG1 THR A 8 12.934 -3.438 3.920 1.00 0.00 O ATOM 95 CG2 THR A 8 10.841 -4.049 2.923 1.00 0.00 C ATOM 0 H THR A 8 10.397 -0.922 2.942 1.00 0.00 H new ATOM 0 HA THR A 8 13.080 -1.638 2.324 1.00 0.00 H new ATOM 0 HB THR A 8 11.219 -2.347 4.182 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.807 -4.385 4.136 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.615 -4.711 3.759 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.913 -3.641 2.523 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.356 -4.611 2.144 1.00 0.00 H new ATOM 103 N PRO A 9 12.719 -3.762 0.716 1.00 0.00 N ATOM 104 CA PRO A 9 12.726 -4.581 -0.478 1.00 0.00 C ATOM 105 C PRO A 9 11.479 -5.454 -0.505 1.00 0.00 C ATOM 106 O PRO A 9 11.288 -6.294 0.371 1.00 0.00 O ATOM 107 CB PRO A 9 13.988 -5.432 -0.361 1.00 0.00 C ATOM 108 CG PRO A 9 14.158 -5.581 1.150 1.00 0.00 C ATOM 109 CD PRO A 9 13.702 -4.220 1.674 1.00 0.00 C ATOM 0 HA PRO A 9 12.723 -3.994 -1.396 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.871 -6.398 -0.852 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.849 -4.944 -0.819 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.549 -6.393 1.548 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.192 -5.794 1.422 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.271 -4.305 2.672 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.538 -3.524 1.746 1.00 0.00 H new ATOM 117 N SER A 10 10.630 -5.252 -1.515 1.00 0.00 N ATOM 118 CA SER A 10 9.408 -6.020 -1.649 1.00 0.00 C ATOM 119 C SER A 10 9.492 -6.913 -2.879 1.00 0.00 C ATOM 120 O SER A 10 8.540 -7.000 -3.652 1.00 0.00 O ATOM 121 CB SER A 10 8.219 -5.069 -1.751 1.00 0.00 C ATOM 122 OG SER A 10 8.499 -4.068 -2.704 1.00 0.00 O ATOM 0 H SER A 10 10.774 -4.559 -2.250 1.00 0.00 H new ATOM 0 HA SER A 10 9.275 -6.654 -0.773 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.323 -5.619 -2.038 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.017 -4.616 -0.780 1.00 0.00 H new ATOM 0 HG SER A 10 7.735 -3.458 -2.771 1.00 0.00 H new ATOM 128 N SER A 11 10.636 -7.578 -3.059 1.00 0.00 N ATOM 129 CA SER A 11 10.836 -8.461 -4.191 1.00 0.00 C ATOM 130 C SER A 11 11.235 -9.846 -3.702 1.00 0.00 C ATOM 131 O SER A 11 12.362 -10.049 -3.257 1.00 0.00 O ATOM 132 CB SER A 11 11.911 -7.879 -5.104 1.00 0.00 C ATOM 133 OG SER A 11 11.789 -6.475 -5.139 1.00 0.00 O ATOM 0 H SER A 11 11.435 -7.516 -2.428 1.00 0.00 H new ATOM 0 HA SER A 11 9.908 -8.551 -4.755 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.900 -8.160 -4.743 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.810 -8.289 -6.109 1.00 0.00 H new ATOM 0 HG SER A 11 12.481 -6.101 -5.724 1.00 0.00 H new ATOM 139 N GLY A 12 10.306 -10.801 -3.785 1.00 0.00 N ATOM 140 CA GLY A 12 10.569 -12.159 -3.351 1.00 0.00 C ATOM 141 C GLY A 12 10.245 -12.312 -1.871 1.00 0.00 C ATOM 142 O GLY A 12 10.881 -13.096 -1.172 1.00 0.00 O ATOM 0 H GLY A 12 9.366 -10.650 -4.151 1.00 0.00 H new ATOM 0 HA2 GLY A 12 9.970 -12.857 -3.936 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.615 -12.409 -3.529 1.00 0.00 H new ATOM 146 N LEU A 13 9.250 -11.559 -1.396 1.00 0.00 N ATOM 147 CA LEU A 13 8.846 -11.613 -0.006 1.00 0.00 C ATOM 148 C LEU A 13 7.642 -12.532 0.147 1.00 0.00 C ATOM 149 O LEU A 13 6.683 -12.434 -0.616 1.00 0.00 O ATOM 150 CB LEU A 13 8.517 -10.206 0.484 1.00 0.00 C ATOM 151 CG LEU A 13 9.586 -9.234 -0.008 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.841 -8.175 1.060 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.878 -9.997 -0.287 1.00 0.00 C ATOM 0 H LEU A 13 8.712 -10.904 -1.964 1.00 0.00 H new ATOM 0 HA LEU A 13 9.662 -12.012 0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.537 -9.901 0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.469 -10.190 1.573 1.00 0.00 H new ATOM 0 HG LEU A 13 9.244 -8.751 -0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.604 -7.481 0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.918 -7.630 1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.183 -8.657 1.976 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.642 -9.303 -0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.220 -10.480 0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.696 -10.753 -1.050 1.00 0.00 H new ATOM 165 N SER A 14 7.693 -13.426 1.136 1.00 0.00 N ATOM 166 CA SER A 14 6.609 -14.355 1.383 1.00 0.00 C ATOM 167 C SER A 14 5.703 -13.812 2.480 1.00 0.00 C ATOM 168 O SER A 14 6.094 -12.914 3.223 1.00 0.00 O ATOM 169 CB SER A 14 7.182 -15.712 1.779 1.00 0.00 C ATOM 170 OG SER A 14 7.986 -16.206 0.731 1.00 0.00 O ATOM 0 H SER A 14 8.481 -13.520 1.777 1.00 0.00 H new ATOM 0 HA SER A 14 6.016 -14.476 0.476 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.772 -15.618 2.691 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.374 -16.412 1.993 1.00 0.00 H new ATOM 0 HG SER A 14 8.356 -17.077 0.985 1.00 0.00 H new ATOM 176 N ASP A 15 4.490 -14.359 2.579 1.00 0.00 N ATOM 177 CA ASP A 15 3.537 -13.928 3.582 1.00 0.00 C ATOM 178 C ASP A 15 4.203 -13.906 4.950 1.00 0.00 C ATOM 179 O ASP A 15 5.072 -14.728 5.233 1.00 0.00 O ATOM 180 CB ASP A 15 2.336 -14.870 3.581 1.00 0.00 C ATOM 181 CG ASP A 15 2.119 -15.476 4.960 1.00 0.00 C ATOM 182 OD1 ASP A 15 2.899 -16.389 5.308 1.00 0.00 O ATOM 183 OD2 ASP A 15 1.177 -15.016 5.640 1.00 0.00 O ATOM 0 H ASP A 15 4.151 -15.104 1.970 1.00 0.00 H new ATOM 0 HA ASP A 15 3.192 -12.920 3.351 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.443 -14.326 3.274 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.492 -15.664 2.851 1.00 0.00 H new ATOM 188 N GLY A 16 3.796 -12.961 5.801 1.00 0.00 N ATOM 189 CA GLY A 16 4.359 -12.842 7.132 1.00 0.00 C ATOM 190 C GLY A 16 5.505 -11.840 7.132 1.00 0.00 C ATOM 191 O GLY A 16 5.846 -11.284 8.173 1.00 0.00 O ATOM 0 H GLY A 16 3.077 -12.270 5.584 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.588 -12.523 7.833 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.717 -13.814 7.471 1.00 0.00 H new ATOM 195 N THR A 17 6.100 -11.611 5.959 1.00 0.00 N ATOM 196 CA THR A 17 7.202 -10.679 5.834 1.00 0.00 C ATOM 197 C THR A 17 6.735 -9.274 6.184 1.00 0.00 C ATOM 198 O THR A 17 5.583 -8.920 5.939 1.00 0.00 O ATOM 199 CB THR A 17 7.749 -10.728 4.410 1.00 0.00 C ATOM 200 OG1 THR A 17 8.285 -12.007 4.157 1.00 0.00 O ATOM 201 CG2 THR A 17 8.844 -9.677 4.249 1.00 0.00 C ATOM 0 H THR A 17 5.830 -12.064 5.086 1.00 0.00 H new ATOM 0 HA THR A 17 7.997 -10.957 6.526 1.00 0.00 H new ATOM 0 HB THR A 17 6.944 -10.525 3.704 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.734 -12.466 3.489 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.235 -9.712 3.232 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.431 -8.688 4.445 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.650 -9.880 4.955 1.00 0.00 H new ATOM 209 N VAL A 18 7.634 -8.470 6.757 1.00 0.00 N ATOM 210 CA VAL A 18 7.312 -7.110 7.137 1.00 0.00 C ATOM 211 C VAL A 18 8.084 -6.134 6.261 1.00 0.00 C ATOM 212 O VAL A 18 9.312 -6.179 6.212 1.00 0.00 O ATOM 213 CB VAL A 18 7.650 -6.900 8.610 1.00 0.00 C ATOM 214 CG1 VAL A 18 9.165 -6.925 8.793 1.00 0.00 C ATOM 215 CG2 VAL A 18 7.104 -5.551 9.070 1.00 0.00 C ATOM 0 H VAL A 18 8.593 -8.748 6.965 1.00 0.00 H new ATOM 0 HA VAL A 18 6.246 -6.931 6.994 1.00 0.00 H new ATOM 0 HB VAL A 18 7.199 -7.696 9.203 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.407 -6.775 9.845 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.555 -7.888 8.465 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.616 -6.130 8.200 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.345 -5.401 10.122 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.554 -4.755 8.477 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.022 -5.533 8.940 1.00 0.00 H new ATOM 225 N VAL A 19 7.362 -5.250 5.569 1.00 0.00 N ATOM 226 CA VAL A 19 7.982 -4.269 4.701 1.00 0.00 C ATOM 227 C VAL A 19 8.123 -2.945 5.438 1.00 0.00 C ATOM 228 O VAL A 19 7.451 -2.716 6.440 1.00 0.00 O ATOM 229 CB VAL A 19 7.136 -4.100 3.442 1.00 0.00 C ATOM 230 CG1 VAL A 19 7.373 -5.282 2.507 1.00 0.00 C ATOM 231 CG2 VAL A 19 5.660 -4.041 3.825 1.00 0.00 C ATOM 0 H VAL A 19 6.344 -5.200 5.599 1.00 0.00 H new ATOM 0 HA VAL A 19 8.977 -4.609 4.412 1.00 0.00 H new ATOM 0 HB VAL A 19 7.417 -3.176 2.937 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.769 -5.161 1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.427 -5.324 2.233 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.093 -6.207 3.011 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.055 -3.920 2.926 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.378 -4.965 4.331 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.491 -3.196 4.492 1.00 0.00 H new ATOM 241 N LYS A 20 9.001 -2.072 4.938 1.00 0.00 N ATOM 242 CA LYS A 20 9.225 -0.778 5.551 1.00 0.00 C ATOM 243 C LYS A 20 8.753 0.326 4.616 1.00 0.00 C ATOM 244 O LYS A 20 8.769 0.161 3.399 1.00 0.00 O ATOM 245 CB LYS A 20 10.708 -0.618 5.873 1.00 0.00 C ATOM 246 CG LYS A 20 10.863 0.136 7.191 1.00 0.00 C ATOM 247 CD LYS A 20 10.808 1.638 6.927 1.00 0.00 C ATOM 248 CE LYS A 20 12.219 2.217 6.982 1.00 0.00 C ATOM 249 NZ LYS A 20 12.354 3.174 8.090 1.00 0.00 N ATOM 0 H LYS A 20 9.566 -2.247 4.107 1.00 0.00 H new ATOM 0 HA LYS A 20 8.656 -0.708 6.478 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.184 -1.596 5.943 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.209 -0.077 5.071 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.071 -0.152 7.882 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.810 -0.127 7.663 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.362 1.830 5.951 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.174 2.125 7.668 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.942 1.411 7.103 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.449 2.713 6.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.182 3.782 7.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.498 3.762 8.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.478 2.656 8.983 1.00 0.00 H new ATOM 263 N VAL A 21 8.333 1.456 5.190 1.00 0.00 N ATOM 264 CA VAL A 21 7.860 2.581 4.408 1.00 0.00 C ATOM 265 C VAL A 21 8.148 3.879 5.148 1.00 0.00 C ATOM 266 O VAL A 21 7.529 4.164 6.171 1.00 0.00 O ATOM 267 CB VAL A 21 6.364 2.426 4.149 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.587 3.349 5.084 1.00 0.00 C ATOM 269 CG2 VAL A 21 6.058 2.795 2.701 1.00 0.00 C ATOM 0 H VAL A 21 8.314 1.608 6.198 1.00 0.00 H new ATOM 0 HA VAL A 21 8.380 2.609 3.450 1.00 0.00 H new ATOM 0 HB VAL A 21 6.069 1.393 4.331 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.518 3.238 4.899 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.805 3.086 6.119 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.882 4.383 4.902 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.990 2.684 2.515 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.353 3.828 2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.612 2.136 2.033 1.00 0.00 H new ATOM 279 N ALA A 22 9.091 4.668 4.627 1.00 0.00 N ATOM 280 CA ALA A 22 9.456 5.930 5.239 1.00 0.00 C ATOM 281 C ALA A 22 9.330 7.053 4.220 1.00 0.00 C ATOM 282 O ALA A 22 10.039 7.066 3.217 1.00 0.00 O ATOM 283 CB ALA A 22 10.883 5.841 5.772 1.00 0.00 C ATOM 0 H ALA A 22 9.613 4.446 3.779 1.00 0.00 H new ATOM 0 HA ALA A 22 8.784 6.144 6.070 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.159 6.789 6.233 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.945 5.045 6.514 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.566 5.625 4.950 1.00 0.00 H new ATOM 289 N GLY A 23 8.423 7.998 4.479 1.00 0.00 N ATOM 290 CA GLY A 23 8.212 9.116 3.582 1.00 0.00 C ATOM 291 C GLY A 23 9.043 10.312 4.025 1.00 0.00 C ATOM 292 O GLY A 23 9.174 10.573 5.219 1.00 0.00 O ATOM 0 H GLY A 23 7.826 8.003 5.306 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.484 8.832 2.565 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.156 9.384 3.566 1.00 0.00 H new ATOM 296 N ALA A 24 9.606 11.040 3.057 1.00 0.00 N ATOM 297 CA ALA A 24 10.422 12.201 3.350 1.00 0.00 C ATOM 298 C ALA A 24 10.005 13.362 2.458 1.00 0.00 C ATOM 299 O ALA A 24 10.108 13.276 1.236 1.00 0.00 O ATOM 300 CB ALA A 24 11.892 11.856 3.137 1.00 0.00 C ATOM 0 H ALA A 24 9.506 10.837 2.062 1.00 0.00 H new ATOM 0 HA ALA A 24 10.280 12.498 4.389 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.506 12.729 3.357 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.173 11.038 3.800 1.00 0.00 H new ATOM 0 HB3 ALA A 24 12.049 11.554 2.101 1.00 0.00 H new ATOM 306 N GLY A 25 9.533 14.450 3.071 1.00 0.00 N ATOM 307 CA GLY A 25 9.105 15.618 2.326 1.00 0.00 C ATOM 308 C GLY A 25 7.588 15.637 2.201 1.00 0.00 C ATOM 309 O GLY A 25 7.046 16.240 1.277 1.00 0.00 O ATOM 0 H GLY A 25 9.441 14.539 4.083 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.447 16.523 2.828 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.559 15.612 1.335 1.00 0.00 H new ATOM 313 N LEU A 26 6.903 14.972 3.134 1.00 0.00 N ATOM 314 CA LEU A 26 5.455 14.915 3.124 1.00 0.00 C ATOM 315 C LEU A 26 4.886 16.114 3.869 1.00 0.00 C ATOM 316 O LEU A 26 5.627 17.009 4.269 1.00 0.00 O ATOM 317 CB LEU A 26 4.993 13.610 3.768 1.00 0.00 C ATOM 318 CG LEU A 26 5.978 12.497 3.422 1.00 0.00 C ATOM 319 CD1 LEU A 26 5.218 11.189 3.220 1.00 0.00 C ATOM 320 CD2 LEU A 26 6.722 12.856 2.139 1.00 0.00 C ATOM 0 H LEU A 26 7.338 14.466 3.906 1.00 0.00 H new ATOM 0 HA LEU A 26 5.094 14.946 2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.927 13.729 4.849 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.995 13.350 3.414 1.00 0.00 H new ATOM 0 HG LEU A 26 6.693 12.380 4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.921 10.394 2.973 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.687 10.932 4.136 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.502 11.306 2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.426 12.061 1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.007 12.974 1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.266 13.790 2.283 1.00 0.00 H new ATOM 332 N GLN A 27 3.564 16.130 4.056 1.00 0.00 N ATOM 333 CA GLN A 27 2.904 17.217 4.751 1.00 0.00 C ATOM 334 C GLN A 27 3.038 17.027 6.255 1.00 0.00 C ATOM 335 O GLN A 27 2.596 16.016 6.797 1.00 0.00 O ATOM 336 CB GLN A 27 1.435 17.263 4.340 1.00 0.00 C ATOM 337 CG GLN A 27 1.325 17.723 2.889 1.00 0.00 C ATOM 338 CD GLN A 27 1.339 16.534 1.940 1.00 0.00 C ATOM 339 OE1 GLN A 27 2.149 16.484 1.017 1.00 0.00 O ATOM 340 NE2 GLN A 27 0.438 15.576 2.168 1.00 0.00 N ATOM 0 H GLN A 27 2.935 15.396 3.731 1.00 0.00 H new ATOM 0 HA GLN A 27 3.374 18.163 4.483 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.983 16.278 4.455 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.886 17.943 4.991 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.405 18.292 2.752 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.152 18.392 2.652 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.213 15.664 2.948 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.401 14.756 1.562 1.00 0.00 H new ATOM 349 N ALA A 28 3.649 18.003 6.929 1.00 0.00 N ATOM 350 CA ALA A 28 3.839 17.939 8.365 1.00 0.00 C ATOM 351 C ALA A 28 2.487 17.965 9.064 1.00 0.00 C ATOM 352 O ALA A 28 1.610 18.743 8.695 1.00 0.00 O ATOM 353 CB ALA A 28 4.705 19.111 8.816 1.00 0.00 C ATOM 0 H ALA A 28 4.020 18.848 6.494 1.00 0.00 H new ATOM 0 HA ALA A 28 4.345 17.010 8.629 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.848 19.063 9.896 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.674 19.060 8.319 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.213 20.048 8.556 1.00 0.00 H new ATOM 359 N GLY A 29 2.320 17.113 10.078 1.00 0.00 N ATOM 360 CA GLY A 29 1.076 17.047 10.819 1.00 0.00 C ATOM 361 C GLY A 29 -0.028 16.466 9.947 1.00 0.00 C ATOM 362 O GLY A 29 -1.193 16.461 10.337 1.00 0.00 O ATOM 0 H GLY A 29 3.037 16.462 10.399 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.207 16.432 11.709 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.794 18.044 11.159 1.00 0.00 H new ATOM 366 N THR A 30 0.341 15.976 8.761 1.00 0.00 N ATOM 367 CA THR A 30 -0.619 15.397 7.845 1.00 0.00 C ATOM 368 C THR A 30 -0.838 13.929 8.181 1.00 0.00 C ATOM 369 O THR A 30 0.075 13.254 8.652 1.00 0.00 O ATOM 370 CB THR A 30 -0.114 15.553 6.413 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.212 15.664 5.536 1.00 0.00 O ATOM 372 CG2 THR A 30 0.721 14.334 6.032 1.00 0.00 C ATOM 0 H THR A 30 1.303 15.973 8.421 1.00 0.00 H new ATOM 0 HA THR A 30 -1.573 15.916 7.940 1.00 0.00 H new ATOM 0 HB THR A 30 0.500 16.451 6.341 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.029 15.158 4.717 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.082 14.445 5.009 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.571 14.249 6.709 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.108 13.436 6.105 1.00 0.00 H new ATOM 380 N ALA A 31 -2.054 13.435 7.938 1.00 0.00 N ATOM 381 CA ALA A 31 -2.388 12.052 8.216 1.00 0.00 C ATOM 382 C ALA A 31 -2.351 11.244 6.927 1.00 0.00 C ATOM 383 O ALA A 31 -2.876 11.679 5.905 1.00 0.00 O ATOM 384 CB ALA A 31 -3.770 11.983 8.860 1.00 0.00 C ATOM 0 H ALA A 31 -2.821 13.982 7.547 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.659 11.629 8.907 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.022 10.944 9.069 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.766 12.550 9.791 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.510 12.406 8.180 1.00 0.00 H new ATOM 390 N TYR A 32 -1.729 10.064 6.977 1.00 0.00 N ATOM 391 CA TYR A 32 -1.627 9.205 5.815 1.00 0.00 C ATOM 392 C TYR A 32 -2.133 7.811 6.157 1.00 0.00 C ATOM 393 O TYR A 32 -1.990 7.357 7.290 1.00 0.00 O ATOM 394 CB TYR A 32 -0.176 9.154 5.347 1.00 0.00 C ATOM 395 CG TYR A 32 0.266 10.400 4.617 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.377 10.783 3.434 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.319 11.171 5.123 1.00 0.00 C ATOM 398 CE1 TYR A 32 0.033 11.937 2.756 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.730 12.326 4.445 1.00 0.00 C ATOM 400 CZ TYR A 32 1.087 12.709 3.262 1.00 0.00 C ATOM 401 OH TYR A 32 1.487 13.833 2.602 1.00 0.00 O ATOM 0 H TYR A 32 -1.290 9.688 7.817 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.241 9.604 5.008 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.471 9.000 6.211 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.044 8.293 4.692 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.190 10.188 3.044 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.815 10.876 6.036 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.463 12.232 1.843 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.543 12.921 4.835 1.00 0.00 H new ATOM 0 HH TYR A 32 1.842 13.587 1.722 1.00 0.00 H new ATOM 411 N ASP A 33 -2.726 7.131 5.173 1.00 0.00 N ATOM 412 CA ASP A 33 -3.249 5.795 5.374 1.00 0.00 C ATOM 413 C ASP A 33 -2.500 4.809 4.489 1.00 0.00 C ATOM 414 O ASP A 33 -2.595 4.874 3.266 1.00 0.00 O ATOM 415 CB ASP A 33 -4.742 5.781 5.056 1.00 0.00 C ATOM 416 CG ASP A 33 -5.565 6.092 6.298 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.685 5.180 7.144 1.00 0.00 O ATOM 418 OD2 ASP A 33 -6.059 7.238 6.378 1.00 0.00 O ATOM 0 H ASP A 33 -2.852 7.493 4.228 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.109 5.498 6.413 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.959 6.513 4.278 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.025 4.805 4.662 1.00 0.00 H new ATOM 423 N VAL A 34 -1.753 3.894 5.111 1.00 0.00 N ATOM 424 CA VAL A 34 -0.992 2.901 4.379 1.00 0.00 C ATOM 425 C VAL A 34 -1.782 1.603 4.301 1.00 0.00 C ATOM 426 O VAL A 34 -2.592 1.313 5.178 1.00 0.00 O ATOM 427 CB VAL A 34 0.350 2.678 5.071 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.455 2.594 4.023 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.633 3.840 6.018 1.00 0.00 C ATOM 0 H VAL A 34 -1.664 3.827 6.125 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.807 3.253 3.364 1.00 0.00 H new ATOM 0 HB VAL A 34 0.316 1.748 5.638 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.414 2.435 4.517 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.253 1.763 3.347 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.489 3.524 3.455 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.591 3.681 6.513 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.667 4.771 5.452 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.156 3.899 6.767 1.00 0.00 H new ATOM 439 N GLY A 35 -1.544 0.819 3.246 1.00 0.00 N ATOM 440 CA GLY A 35 -2.235 -0.442 3.064 1.00 0.00 C ATOM 441 C GLY A 35 -1.726 -1.146 1.814 1.00 0.00 C ATOM 442 O GLY A 35 -1.063 -0.534 0.979 1.00 0.00 O ATOM 0 H GLY A 35 -0.876 1.043 2.509 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.082 -1.078 3.936 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.308 -0.268 2.981 1.00 0.00 H new ATOM 446 N GLN A 36 -2.038 -2.438 1.687 1.00 0.00 N ATOM 447 CA GLN A 36 -1.611 -3.218 0.543 1.00 0.00 C ATOM 448 C GLN A 36 -2.819 -3.603 -0.300 1.00 0.00 C ATOM 449 O GLN A 36 -3.712 -4.302 0.174 1.00 0.00 O ATOM 450 CB GLN A 36 -0.870 -4.462 1.025 1.00 0.00 C ATOM 451 CG GLN A 36 -1.199 -5.638 0.111 1.00 0.00 C ATOM 452 CD GLN A 36 -0.573 -6.923 0.633 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.202 -7.658 1.392 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.669 -7.193 0.226 1.00 0.00 N ATOM 0 H GLN A 36 -2.587 -2.960 2.370 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.936 -2.625 -0.075 1.00 0.00 H new ATOM 0 HB2 GLN A 36 0.205 -4.280 1.028 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.156 -4.694 2.051 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.280 -5.758 0.041 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.835 -5.434 -0.896 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.150 -6.552 -0.405 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.137 -8.041 0.546 1.00 0.00 H new ATOM 463 N CYS A 37 -2.844 -3.146 -1.554 1.00 0.00 N ATOM 464 CA CYS A 37 -3.938 -3.443 -2.456 1.00 0.00 C ATOM 465 C CYS A 37 -3.475 -4.429 -3.519 1.00 0.00 C ATOM 466 O CYS A 37 -2.293 -4.757 -3.592 1.00 0.00 O ATOM 467 CB CYS A 37 -4.435 -2.150 -3.096 1.00 0.00 C ATOM 468 SG CYS A 37 -5.213 -1.004 -1.932 1.00 0.00 S ATOM 0 H CYS A 37 -2.110 -2.566 -1.961 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.760 -3.896 -1.901 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.595 -1.649 -3.577 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.151 -2.397 -3.880 1.00 0.00 H new ATOM 473 N ALA A 38 -4.412 -4.902 -4.345 1.00 0.00 N ATOM 474 CA ALA A 38 -4.096 -5.848 -5.397 1.00 0.00 C ATOM 475 C ALA A 38 -5.092 -5.700 -6.538 1.00 0.00 C ATOM 476 O ALA A 38 -6.299 -5.804 -6.329 1.00 0.00 O ATOM 477 CB ALA A 38 -4.127 -7.265 -4.832 1.00 0.00 C ATOM 0 H ALA A 38 -5.396 -4.639 -4.298 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.097 -5.648 -5.784 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.890 -7.977 -5.622 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.393 -7.354 -4.031 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.121 -7.478 -4.438 1.00 0.00 H new ATOM 483 N TRP A 39 -4.585 -5.456 -7.749 1.00 0.00 N ATOM 484 CA TRP A 39 -5.435 -5.298 -8.912 1.00 0.00 C ATOM 485 C TRP A 39 -6.144 -6.609 -9.218 1.00 0.00 C ATOM 486 O TRP A 39 -5.499 -7.639 -9.401 1.00 0.00 O ATOM 487 CB TRP A 39 -4.590 -4.850 -10.101 1.00 0.00 C ATOM 488 CG TRP A 39 -4.994 -5.435 -11.416 1.00 0.00 C ATOM 489 CD1 TRP A 39 -6.262 -5.706 -11.794 1.00 0.00 C ATOM 490 CD2 TRP A 39 -4.150 -5.830 -12.541 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.262 -6.237 -13.066 1.00 0.00 N ATOM 492 CE2 TRP A 39 -4.983 -6.337 -13.575 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.767 -5.812 -12.793 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -4.473 -6.800 -14.791 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -2.245 -6.275 -14.010 1.00 0.00 C ATOM 496 CH2 TRP A 39 -3.093 -6.769 -15.008 1.00 0.00 C ATOM 0 H TRP A 39 -3.587 -5.365 -7.941 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.191 -4.539 -8.713 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.638 -3.763 -10.173 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.550 -5.111 -9.908 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.142 -5.533 -11.192 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -7.103 -6.521 -13.569 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -2.095 -5.435 -12.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.138 -7.177 -15.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.179 -6.250 -14.179 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.683 -7.125 -15.942 1.00 0.00 H new ATOM 507 N VAL A 40 -7.478 -6.569 -9.274 1.00 0.00 N ATOM 508 CA VAL A 40 -8.268 -7.750 -9.557 1.00 0.00 C ATOM 509 C VAL A 40 -8.772 -7.701 -10.992 1.00 0.00 C ATOM 510 O VAL A 40 -8.725 -8.702 -11.703 1.00 0.00 O ATOM 511 CB VAL A 40 -9.434 -7.828 -8.576 1.00 0.00 C ATOM 512 CG1 VAL A 40 -8.907 -8.167 -7.184 1.00 0.00 C ATOM 513 CG2 VAL A 40 -10.154 -6.483 -8.534 1.00 0.00 C ATOM 0 H VAL A 40 -8.027 -5.723 -9.125 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.652 -8.642 -9.440 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.129 -8.603 -8.899 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.740 -8.223 -6.483 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.393 -9.128 -7.214 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.211 -7.393 -6.860 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.987 -6.538 -7.833 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.459 -5.708 -8.211 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.531 -6.241 -9.528 1.00 0.00 H new ATOM 523 N ASP A 41 -9.255 -6.531 -11.417 1.00 0.00 N ATOM 524 CA ASP A 41 -9.765 -6.358 -12.762 1.00 0.00 C ATOM 525 C ASP A 41 -9.395 -4.975 -13.279 1.00 0.00 C ATOM 526 O ASP A 41 -8.925 -4.132 -12.519 1.00 0.00 O ATOM 527 CB ASP A 41 -11.279 -6.548 -12.760 1.00 0.00 C ATOM 528 CG ASP A 41 -11.672 -7.799 -13.533 1.00 0.00 C ATOM 529 OD1 ASP A 41 -11.803 -7.683 -14.771 1.00 0.00 O ATOM 530 OD2 ASP A 41 -11.833 -8.847 -12.872 1.00 0.00 O ATOM 0 H ASP A 41 -9.300 -5.691 -10.840 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.320 -7.102 -13.423 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.639 -6.622 -11.734 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.759 -5.676 -13.204 1.00 0.00 H new ATOM 535 N THR A 42 -9.607 -4.743 -14.577 1.00 0.00 N ATOM 536 CA THR A 42 -9.295 -3.465 -15.182 1.00 0.00 C ATOM 537 C THR A 42 -10.036 -2.352 -14.456 1.00 0.00 C ATOM 538 O THR A 42 -11.263 -2.283 -14.507 1.00 0.00 O ATOM 539 CB THR A 42 -9.678 -3.495 -16.659 1.00 0.00 C ATOM 540 OG1 THR A 42 -8.793 -4.343 -17.357 1.00 0.00 O ATOM 541 CG2 THR A 42 -9.593 -2.085 -17.237 1.00 0.00 C ATOM 0 H THR A 42 -9.995 -5.431 -15.222 1.00 0.00 H new ATOM 0 HA THR A 42 -8.225 -3.273 -15.100 1.00 0.00 H new ATOM 0 HB THR A 42 -10.697 -3.868 -16.762 1.00 0.00 H new ATOM 0 HG1 THR A 42 -9.040 -4.364 -18.305 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.867 -2.107 -18.292 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.277 -1.429 -16.698 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.575 -1.710 -17.134 1.00 0.00 H new ATOM 549 N GLY A 43 -9.289 -1.477 -13.779 1.00 0.00 N ATOM 550 CA GLY A 43 -9.882 -0.375 -13.049 1.00 0.00 C ATOM 551 C GLY A 43 -10.572 -0.885 -11.791 1.00 0.00 C ATOM 552 O GLY A 43 -11.216 -0.118 -11.078 1.00 0.00 O ATOM 0 H GLY A 43 -8.271 -1.518 -13.726 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.112 0.349 -12.782 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.602 0.144 -13.682 1.00 0.00 H new ATOM 556 N VAL A 44 -10.437 -2.186 -11.522 1.00 0.00 N ATOM 557 CA VAL A 44 -11.046 -2.793 -10.355 1.00 0.00 C ATOM 558 C VAL A 44 -9.974 -3.448 -9.497 1.00 0.00 C ATOM 559 O VAL A 44 -9.464 -4.511 -9.843 1.00 0.00 O ATOM 560 CB VAL A 44 -12.085 -3.818 -10.800 1.00 0.00 C ATOM 561 CG1 VAL A 44 -12.904 -4.269 -9.595 1.00 0.00 C ATOM 562 CG2 VAL A 44 -13.011 -3.187 -11.837 1.00 0.00 C ATOM 0 H VAL A 44 -9.907 -2.835 -12.105 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.543 -2.028 -9.759 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.581 -4.679 -11.239 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.646 -5.001 -9.913 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -12.244 -4.720 -8.854 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -13.408 -3.409 -9.155 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.753 -3.919 -12.155 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -13.515 -2.326 -11.398 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -12.426 -2.865 -12.699 1.00 0.00 H new ATOM 572 N LEU A 45 -9.634 -2.811 -8.374 1.00 0.00 N ATOM 573 CA LEU A 45 -8.626 -3.335 -7.473 1.00 0.00 C ATOM 574 C LEU A 45 -9.253 -3.644 -6.121 1.00 0.00 C ATOM 575 O LEU A 45 -10.342 -3.165 -5.815 1.00 0.00 O ATOM 576 CB LEU A 45 -7.499 -2.317 -7.326 1.00 0.00 C ATOM 577 CG LEU A 45 -7.924 -1.225 -6.349 1.00 0.00 C ATOM 578 CD1 LEU A 45 -7.522 -1.624 -4.932 1.00 0.00 C ATOM 579 CD2 LEU A 45 -7.239 0.086 -6.722 1.00 0.00 C ATOM 0 H LEU A 45 -10.048 -1.929 -8.073 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.214 -4.259 -7.879 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.595 -2.809 -6.967 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.261 -1.880 -8.296 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.005 -1.096 -6.397 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.826 -0.844 -4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.012 -2.560 -4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.441 -1.753 -4.883 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.542 0.866 -6.024 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.158 -0.042 -6.675 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.527 0.372 -7.734 1.00 0.00 H new ATOM 591 N ALA A 46 -8.561 -4.449 -5.311 1.00 0.00 N ATOM 592 CA ALA A 46 -9.052 -4.819 -3.999 1.00 0.00 C ATOM 593 C ALA A 46 -8.039 -4.416 -2.937 1.00 0.00 C ATOM 594 O ALA A 46 -6.834 -4.549 -3.144 1.00 0.00 O ATOM 595 CB ALA A 46 -9.309 -6.323 -3.958 1.00 0.00 C ATOM 0 H ALA A 46 -7.656 -4.854 -5.550 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.988 -4.298 -3.797 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.678 -6.602 -2.971 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.052 -6.586 -4.711 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.381 -6.856 -4.162 1.00 0.00 H new ATOM 601 N CYS A 47 -8.530 -3.922 -1.798 1.00 0.00 N ATOM 602 CA CYS A 47 -7.668 -3.502 -0.712 1.00 0.00 C ATOM 603 C CYS A 47 -7.790 -4.479 0.449 1.00 0.00 C ATOM 604 O CYS A 47 -8.836 -5.095 0.637 1.00 0.00 O ATOM 605 CB CYS A 47 -8.053 -2.092 -0.274 1.00 0.00 C ATOM 606 SG CYS A 47 -7.401 -0.786 -1.345 1.00 0.00 S ATOM 0 H CYS A 47 -9.526 -3.806 -1.612 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.631 -3.493 -1.048 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.140 -2.015 -0.245 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.695 -1.927 0.742 1.00 0.00 H new ATOM 611 N ASN A 48 -6.715 -4.620 1.228 1.00 0.00 N ATOM 612 CA ASN A 48 -6.710 -5.521 2.364 1.00 0.00 C ATOM 613 C ASN A 48 -6.728 -4.722 3.659 1.00 0.00 C ATOM 614 O ASN A 48 -5.719 -4.137 4.046 1.00 0.00 O ATOM 615 CB ASN A 48 -5.474 -6.413 2.297 1.00 0.00 C ATOM 616 CG ASN A 48 -5.316 -7.220 3.578 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.244 -7.302 4.380 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.138 -7.818 3.769 1.00 0.00 N ATOM 0 H ASN A 48 -5.839 -4.117 1.086 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.600 -6.150 2.338 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.554 -7.088 1.445 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.587 -5.800 2.137 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.978 -8.373 4.610 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.398 -7.720 3.074 1.00 0.00 H new ATOM 625 N PRO A 49 -7.882 -4.699 4.331 1.00 0.00 N ATOM 626 CA PRO A 49 -8.085 -3.996 5.579 1.00 0.00 C ATOM 627 C PRO A 49 -7.365 -4.729 6.702 1.00 0.00 C ATOM 628 O PRO A 49 -7.389 -4.288 7.849 1.00 0.00 O ATOM 629 CB PRO A 49 -9.597 -4.013 5.796 1.00 0.00 C ATOM 630 CG PRO A 49 -10.022 -5.311 5.111 1.00 0.00 C ATOM 631 CD PRO A 49 -9.088 -5.375 3.905 1.00 0.00 C ATOM 0 HA PRO A 49 -7.694 -2.979 5.561 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.854 -4.012 6.855 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.080 -3.143 5.350 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.898 -6.174 5.766 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.070 -5.286 4.811 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.883 -6.407 3.619 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.530 -4.885 3.037 1.00 0.00 H new ATOM 639 N ALA A 50 -6.724 -5.852 6.368 1.00 0.00 N ATOM 640 CA ALA A 50 -6.004 -6.640 7.348 1.00 0.00 C ATOM 641 C ALA A 50 -4.552 -6.187 7.407 1.00 0.00 C ATOM 642 O ALA A 50 -3.824 -6.551 8.328 1.00 0.00 O ATOM 643 CB ALA A 50 -6.095 -8.117 6.976 1.00 0.00 C ATOM 0 H ALA A 50 -6.694 -6.230 5.421 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.448 -6.498 8.333 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.554 -8.712 7.712 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.141 -8.424 6.959 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.655 -8.272 5.991 1.00 0.00 H new ATOM 649 N ASP A 51 -4.132 -5.391 6.422 1.00 0.00 N ATOM 650 CA ASP A 51 -2.772 -4.895 6.367 1.00 0.00 C ATOM 651 C ASP A 51 -2.782 -3.380 6.221 1.00 0.00 C ATOM 652 O ASP A 51 -1.784 -2.787 5.817 1.00 0.00 O ATOM 653 CB ASP A 51 -2.041 -5.546 5.196 1.00 0.00 C ATOM 654 CG ASP A 51 -2.709 -5.196 3.875 1.00 0.00 C ATOM 655 OD1 ASP A 51 -3.335 -4.115 3.825 1.00 0.00 O ATOM 656 OD2 ASP A 51 -2.582 -6.015 2.939 1.00 0.00 O ATOM 0 H ASP A 51 -4.724 -5.080 5.652 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.250 -5.148 7.290 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.003 -5.215 5.182 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.029 -6.628 5.326 1.00 0.00 H new ATOM 661 N PHE A 52 -3.913 -2.753 6.552 1.00 0.00 N ATOM 662 CA PHE A 52 -4.044 -1.313 6.455 1.00 0.00 C ATOM 663 C PHE A 52 -3.473 -0.658 7.705 1.00 0.00 C ATOM 664 O PHE A 52 -4.108 -0.667 8.758 1.00 0.00 O ATOM 665 CB PHE A 52 -5.515 -0.948 6.276 1.00 0.00 C ATOM 666 CG PHE A 52 -5.778 -0.088 5.063 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.271 1.216 5.005 1.00 0.00 C ATOM 668 CD2 PHE A 52 -6.528 -0.595 3.995 1.00 0.00 C ATOM 669 CE1 PHE A 52 -5.513 2.012 3.880 1.00 0.00 C ATOM 670 CE2 PHE A 52 -6.771 0.202 2.870 1.00 0.00 C ATOM 671 CZ PHE A 52 -6.264 1.506 2.812 1.00 0.00 C ATOM 0 H PHE A 52 -4.749 -3.229 6.890 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.486 -0.950 5.592 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.101 -1.863 6.197 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.862 -0.423 7.166 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.693 1.608 5.829 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.919 -1.601 4.039 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.120 3.017 3.835 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.350 -0.189 2.046 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.452 2.121 1.944 1.00 0.00 H new ATOM 681 N SER A 53 -2.272 -0.089 7.587 1.00 0.00 N ATOM 682 CA SER A 53 -1.625 0.568 8.706 1.00 0.00 C ATOM 683 C SER A 53 -1.948 2.055 8.689 1.00 0.00 C ATOM 684 O SER A 53 -2.627 2.535 7.784 1.00 0.00 O ATOM 685 CB SER A 53 -0.118 0.341 8.625 1.00 0.00 C ATOM 686 OG SER A 53 0.511 0.975 9.716 1.00 0.00 O ATOM 0 H SER A 53 -1.732 -0.074 6.722 1.00 0.00 H new ATOM 0 HA SER A 53 -1.993 0.148 9.642 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.101 -0.727 8.635 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.271 0.737 7.687 1.00 0.00 H new ATOM 0 HG SER A 53 1.479 0.828 9.666 1.00 0.00 H new ATOM 692 N SER A 54 -1.459 2.785 9.694 1.00 0.00 N ATOM 693 CA SER A 54 -1.696 4.211 9.788 1.00 0.00 C ATOM 694 C SER A 54 -0.494 4.894 10.425 1.00 0.00 C ATOM 695 O SER A 54 0.258 4.266 11.167 1.00 0.00 O ATOM 696 CB SER A 54 -2.959 4.463 10.608 1.00 0.00 C ATOM 697 OG SER A 54 -2.625 4.527 11.976 1.00 0.00 O ATOM 0 H SER A 54 -0.895 2.402 10.453 1.00 0.00 H new ATOM 0 HA SER A 54 -1.837 4.626 8.790 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.430 5.394 10.294 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.682 3.666 10.436 1.00 0.00 H new ATOM 0 HG SER A 54 -3.435 4.690 12.503 1.00 0.00 H new ATOM 703 N VAL A 55 -0.316 6.185 10.134 1.00 0.00 N ATOM 704 CA VAL A 55 0.790 6.946 10.678 1.00 0.00 C ATOM 705 C VAL A 55 0.563 8.431 10.433 1.00 0.00 C ATOM 706 O VAL A 55 -0.160 8.806 9.513 1.00 0.00 O ATOM 707 CB VAL A 55 2.092 6.483 10.031 1.00 0.00 C ATOM 708 CG1 VAL A 55 1.983 6.619 8.515 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.246 7.345 10.537 1.00 0.00 C ATOM 0 H VAL A 55 -0.932 6.719 9.521 1.00 0.00 H new ATOM 0 HA VAL A 55 0.856 6.782 11.753 1.00 0.00 H new ATOM 0 HB VAL A 55 2.276 5.440 10.290 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.913 6.288 8.052 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.159 6.004 8.153 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.799 7.662 8.256 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.176 7.015 10.075 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.062 8.388 10.278 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.324 7.249 11.620 1.00 0.00 H new ATOM 719 N THR A 56 1.183 9.276 11.259 1.00 0.00 N ATOM 720 CA THR A 56 1.044 10.712 11.124 1.00 0.00 C ATOM 721 C THR A 56 2.414 11.352 10.949 1.00 0.00 C ATOM 722 O THR A 56 3.333 11.078 11.717 1.00 0.00 O ATOM 723 CB THR A 56 0.340 11.273 12.356 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.907 10.633 12.516 1.00 0.00 O ATOM 725 CG2 THR A 56 0.123 12.773 12.180 1.00 0.00 C ATOM 0 H THR A 56 1.786 8.982 12.027 1.00 0.00 H new ATOM 0 HA THR A 56 0.444 10.940 10.243 1.00 0.00 H new ATOM 0 HB THR A 56 0.956 11.097 13.238 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.359 10.991 13.308 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.380 13.174 13.060 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.086 13.268 12.056 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.493 12.951 11.298 1.00 0.00 H new ATOM 733 N ALA A 57 2.548 12.208 9.933 1.00 0.00 N ATOM 734 CA ALA A 57 3.802 12.881 9.660 1.00 0.00 C ATOM 735 C ALA A 57 4.144 13.819 10.809 1.00 0.00 C ATOM 736 O ALA A 57 3.341 14.675 11.174 1.00 0.00 O ATOM 737 CB ALA A 57 3.691 13.651 8.348 1.00 0.00 C ATOM 0 H ALA A 57 1.795 12.446 9.288 1.00 0.00 H new ATOM 0 HA ALA A 57 4.601 12.146 9.567 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.634 14.157 8.142 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.467 12.958 7.537 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.892 14.389 8.426 1.00 0.00 H new ATOM 743 N ASP A 58 5.339 13.656 11.380 1.00 0.00 N ATOM 744 CA ASP A 58 5.779 14.486 12.483 1.00 0.00 C ATOM 745 C ASP A 58 6.080 15.891 11.982 1.00 0.00 C ATOM 746 O ASP A 58 5.772 16.224 10.840 1.00 0.00 O ATOM 747 CB ASP A 58 7.015 13.864 13.126 1.00 0.00 C ATOM 748 CG ASP A 58 8.159 13.770 12.126 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.042 14.424 11.067 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.129 13.046 12.439 1.00 0.00 O ATOM 0 H ASP A 58 6.016 12.951 11.089 1.00 0.00 H new ATOM 0 HA ASP A 58 4.990 14.550 13.233 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.324 14.462 13.983 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.773 12.870 13.502 1.00 0.00 H new ATOM 755 N ALA A 59 6.684 16.717 12.841 1.00 0.00 N ATOM 756 CA ALA A 59 7.022 18.079 12.482 1.00 0.00 C ATOM 757 C ALA A 59 8.009 18.078 11.323 1.00 0.00 C ATOM 758 O ALA A 59 8.104 19.055 10.585 1.00 0.00 O ATOM 759 CB ALA A 59 7.612 18.792 13.695 1.00 0.00 C ATOM 0 H ALA A 59 6.946 16.456 13.792 1.00 0.00 H new ATOM 0 HA ALA A 59 6.124 18.610 12.167 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.867 19.817 13.426 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.881 18.800 14.504 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.510 18.269 14.023 1.00 0.00 H new ATOM 765 N ASN A 60 8.746 16.976 11.166 1.00 0.00 N ATOM 766 CA ASN A 60 9.720 16.855 10.100 1.00 0.00 C ATOM 767 C ASN A 60 9.040 16.369 8.828 1.00 0.00 C ATOM 768 O ASN A 60 9.706 16.077 7.837 1.00 0.00 O ATOM 769 CB ASN A 60 10.822 15.888 10.527 1.00 0.00 C ATOM 770 CG ASN A 60 12.107 16.637 10.846 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.223 17.826 10.558 1.00 0.00 O ATOM 772 ND2 ASN A 60 13.074 15.939 11.446 1.00 0.00 N ATOM 0 H ASN A 60 8.680 16.157 11.770 1.00 0.00 H new ATOM 0 HA ASN A 60 10.165 17.829 9.899 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.498 15.324 11.402 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.005 15.165 9.732 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.956 16.392 11.685 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.931 14.953 11.665 1.00 0.00 H new ATOM 779 N GLY A 61 7.708 16.283 8.857 1.00 0.00 N ATOM 780 CA GLY A 61 6.949 15.833 7.707 1.00 0.00 C ATOM 781 C GLY A 61 7.343 14.409 7.339 1.00 0.00 C ATOM 782 O GLY A 61 7.016 13.933 6.254 1.00 0.00 O ATOM 0 H GLY A 61 7.140 16.521 9.670 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.882 15.877 7.927 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.128 16.497 6.862 1.00 0.00 H new ATOM 786 N SER A 62 8.048 13.731 8.247 1.00 0.00 N ATOM 787 CA SER A 62 8.481 12.367 8.014 1.00 0.00 C ATOM 788 C SER A 62 7.584 11.403 8.778 1.00 0.00 C ATOM 789 O SER A 62 7.325 11.599 9.963 1.00 0.00 O ATOM 790 CB SER A 62 9.935 12.215 8.450 1.00 0.00 C ATOM 791 OG SER A 62 10.472 11.037 7.891 1.00 0.00 O ATOM 0 H SER A 62 8.328 14.113 9.151 1.00 0.00 H new ATOM 0 HA SER A 62 8.408 12.134 6.952 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.515 13.080 8.128 1.00 0.00 H new ATOM 0 HB3 SER A 62 9.998 12.176 9.537 1.00 0.00 H new ATOM 0 HG SER A 62 10.105 10.905 6.992 1.00 0.00 H new ATOM 797 N ALA A 63 7.111 10.358 8.095 1.00 0.00 N ATOM 798 CA ALA A 63 6.248 9.370 8.710 1.00 0.00 C ATOM 799 C ALA A 63 6.820 7.977 8.489 1.00 0.00 C ATOM 800 O ALA A 63 7.054 7.573 7.353 1.00 0.00 O ATOM 801 CB ALA A 63 4.847 9.480 8.115 1.00 0.00 C ATOM 0 H ALA A 63 7.317 10.182 7.112 1.00 0.00 H new ATOM 0 HA ALA A 63 6.188 9.550 9.783 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.196 8.737 8.577 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.449 10.477 8.302 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.893 9.304 7.040 1.00 0.00 H new ATOM 807 N SER A 64 7.045 7.242 9.581 1.00 0.00 N ATOM 808 CA SER A 64 7.587 5.901 9.500 1.00 0.00 C ATOM 809 C SER A 64 6.522 4.889 9.899 1.00 0.00 C ATOM 810 O SER A 64 5.834 5.070 10.901 1.00 0.00 O ATOM 811 CB SER A 64 8.806 5.790 10.411 1.00 0.00 C ATOM 812 OG SER A 64 8.390 5.816 11.758 1.00 0.00 O ATOM 0 H SER A 64 6.856 7.563 10.531 1.00 0.00 H new ATOM 0 HA SER A 64 7.895 5.690 8.476 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.345 4.866 10.204 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.495 6.612 10.216 1.00 0.00 H new ATOM 0 HG SER A 64 7.433 5.609 11.809 1.00 0.00 H new ATOM 818 N THR A 65 6.387 3.819 9.111 1.00 0.00 N ATOM 819 CA THR A 65 5.409 2.787 9.390 1.00 0.00 C ATOM 820 C THR A 65 5.811 1.492 8.700 1.00 0.00 C ATOM 821 O THR A 65 6.489 1.515 7.675 1.00 0.00 O ATOM 822 CB THR A 65 4.035 3.249 8.913 1.00 0.00 C ATOM 823 OG1 THR A 65 3.165 3.352 10.018 1.00 0.00 O ATOM 824 CG2 THR A 65 3.475 2.237 7.918 1.00 0.00 C ATOM 0 H THR A 65 6.948 3.653 8.275 1.00 0.00 H new ATOM 0 HA THR A 65 5.365 2.604 10.464 1.00 0.00 H new ATOM 0 HB THR A 65 4.126 4.222 8.429 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.236 3.333 9.706 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.494 2.567 7.577 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.147 2.156 7.064 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.383 1.264 8.401 1.00 0.00 H new ATOM 832 N SER A 66 5.391 0.358 9.266 1.00 0.00 N ATOM 833 CA SER A 66 5.708 -0.939 8.703 1.00 0.00 C ATOM 834 C SER A 66 4.437 -1.606 8.195 1.00 0.00 C ATOM 835 O SER A 66 3.436 -1.661 8.905 1.00 0.00 O ATOM 836 CB SER A 66 6.384 -1.802 9.765 1.00 0.00 C ATOM 837 OG SER A 66 6.738 -0.998 10.868 1.00 0.00 O ATOM 0 H SER A 66 4.829 0.321 10.117 1.00 0.00 H new ATOM 0 HA SER A 66 6.392 -0.818 7.863 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.712 -2.599 10.083 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.271 -2.280 9.350 1.00 0.00 H new ATOM 0 HG SER A 66 7.171 -1.552 11.551 1.00 0.00 H new ATOM 843 N LEU A 67 4.481 -2.114 6.961 1.00 0.00 N ATOM 844 CA LEU A 67 3.337 -2.774 6.365 1.00 0.00 C ATOM 845 C LEU A 67 3.555 -4.281 6.359 1.00 0.00 C ATOM 846 O LEU A 67 4.692 -4.746 6.416 1.00 0.00 O ATOM 847 CB LEU A 67 3.131 -2.252 4.946 1.00 0.00 C ATOM 848 CG LEU A 67 1.638 -2.183 4.641 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.335 -0.901 3.869 1.00 0.00 C ATOM 850 CD2 LEU A 67 1.233 -3.391 3.801 1.00 0.00 C ATOM 0 H LEU A 67 5.304 -2.076 6.360 1.00 0.00 H new ATOM 0 HA LEU A 67 2.443 -2.559 6.951 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.580 -1.264 4.842 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.629 -2.906 4.231 1.00 0.00 H new ATOM 0 HG LEU A 67 1.076 -2.186 5.575 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.268 -0.851 3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.623 -0.038 4.469 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.897 -0.897 2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.166 -3.342 3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.795 -3.389 2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.449 -4.306 4.352 1.00 0.00 H new ATOM 862 N THR A 68 2.463 -5.044 6.288 1.00 0.00 N ATOM 863 CA THR A 68 2.545 -6.491 6.274 1.00 0.00 C ATOM 864 C THR A 68 2.278 -7.012 4.869 1.00 0.00 C ATOM 865 O THR A 68 1.268 -6.669 4.258 1.00 0.00 O ATOM 866 CB THR A 68 1.536 -7.066 7.264 1.00 0.00 C ATOM 867 OG1 THR A 68 1.536 -8.473 7.170 1.00 0.00 O ATOM 868 CG2 THR A 68 0.143 -6.534 6.939 1.00 0.00 C ATOM 0 H THR A 68 1.513 -4.675 6.240 1.00 0.00 H new ATOM 0 HA THR A 68 3.546 -6.804 6.571 1.00 0.00 H new ATOM 0 HB THR A 68 1.810 -6.769 8.276 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.465 -8.861 8.067 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.578 -6.945 7.646 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.143 -5.446 7.011 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.133 -6.830 5.927 1.00 0.00 H new ATOM 876 N VAL A 69 3.188 -7.844 4.357 1.00 0.00 N ATOM 877 CA VAL A 69 3.048 -8.408 3.030 1.00 0.00 C ATOM 878 C VAL A 69 2.169 -9.649 3.088 1.00 0.00 C ATOM 879 O VAL A 69 2.436 -10.565 3.863 1.00 0.00 O ATOM 880 CB VAL A 69 4.428 -8.748 2.475 1.00 0.00 C ATOM 881 CG1 VAL A 69 4.332 -9.993 1.598 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.943 -7.578 1.642 1.00 0.00 C ATOM 0 H VAL A 69 4.031 -8.138 4.851 1.00 0.00 H new ATOM 0 HA VAL A 69 2.574 -7.682 2.369 1.00 0.00 H new ATOM 0 HB VAL A 69 5.115 -8.937 3.300 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.318 -10.236 1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.964 -10.829 2.192 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.645 -9.805 0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.929 -7.820 1.245 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.256 -7.389 0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.012 -6.688 2.268 1.00 0.00 H new ATOM 892 N ARG A 70 1.118 -9.677 2.265 1.00 0.00 N ATOM 893 CA ARG A 70 0.207 -10.803 2.227 1.00 0.00 C ATOM 894 C ARG A 70 0.201 -11.416 0.834 1.00 0.00 C ATOM 895 O ARG A 70 0.342 -10.705 -0.159 1.00 0.00 O ATOM 896 CB ARG A 70 -1.193 -10.336 2.617 1.00 0.00 C ATOM 897 CG ARG A 70 -1.379 -10.489 4.124 1.00 0.00 C ATOM 898 CD ARG A 70 -0.481 -9.492 4.852 1.00 0.00 C ATOM 899 NE ARG A 70 -0.338 -9.848 6.264 1.00 0.00 N ATOM 900 CZ ARG A 70 -1.137 -9.357 7.221 1.00 0.00 C ATOM 901 NH1 ARG A 70 -2.119 -8.503 6.901 1.00 0.00 N ATOM 902 NH2 ARG A 70 -0.955 -9.720 8.498 1.00 0.00 N ATOM 0 H ARG A 70 0.884 -8.925 1.617 1.00 0.00 H new ATOM 0 HA ARG A 70 0.534 -11.564 2.936 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.335 -9.295 2.326 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.944 -10.921 2.086 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.422 -10.318 4.392 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.134 -11.506 4.430 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.500 -9.468 4.378 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.901 -8.490 4.767 1.00 0.00 H new ATOM 0 HE ARG A 70 0.402 -10.498 6.531 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.258 -8.227 5.929 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.727 -8.129 7.629 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.208 -10.370 8.742 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.563 -9.346 9.226 1.00 0.00 H new ATOM 916 N ARG A 71 0.038 -12.739 0.763 1.00 0.00 N ATOM 917 CA ARG A 71 0.016 -13.439 -0.505 1.00 0.00 C ATOM 918 C ARG A 71 -1.410 -13.506 -1.033 1.00 0.00 C ATOM 919 O ARG A 71 -1.636 -13.927 -2.165 1.00 0.00 O ATOM 920 CB ARG A 71 0.590 -14.841 -0.321 1.00 0.00 C ATOM 921 CG ARG A 71 -0.517 -15.789 0.130 1.00 0.00 C ATOM 922 CD ARG A 71 -1.060 -15.333 1.481 1.00 0.00 C ATOM 923 NE ARG A 71 -2.021 -16.298 2.014 1.00 0.00 N ATOM 924 CZ ARG A 71 -2.512 -16.222 3.259 1.00 0.00 C ATOM 925 NH1 ARG A 71 -2.125 -15.230 4.072 1.00 0.00 N ATOM 926 NH2 ARG A 71 -3.390 -17.138 3.690 1.00 0.00 N ATOM 0 H ARG A 71 -0.080 -13.341 1.578 1.00 0.00 H new ATOM 0 HA ARG A 71 0.627 -12.902 -1.231 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.026 -15.193 -1.256 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.392 -14.823 0.417 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.318 -15.807 -0.609 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.131 -16.806 0.206 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.237 -15.208 2.184 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.538 -14.359 1.375 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.331 -17.061 1.413 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.457 -14.533 3.744 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.499 -15.172 5.019 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.685 -17.893 3.071 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.764 -17.080 4.637 1.00 0.00 H new ATOM 940 N SER A 72 -2.374 -13.089 -0.208 1.00 0.00 N ATOM 941 CA SER A 72 -3.770 -13.103 -0.596 1.00 0.00 C ATOM 942 C SER A 72 -4.623 -12.528 0.525 1.00 0.00 C ATOM 943 O SER A 72 -4.273 -12.644 1.697 1.00 0.00 O ATOM 944 CB SER A 72 -4.193 -14.534 -0.919 1.00 0.00 C ATOM 945 OG SER A 72 -4.128 -15.318 0.251 1.00 0.00 O ATOM 0 H SER A 72 -2.203 -12.738 0.734 1.00 0.00 H new ATOM 0 HA SER A 72 -3.911 -12.487 -1.484 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.206 -14.543 -1.320 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.542 -14.953 -1.687 1.00 0.00 H new ATOM 0 HG SER A 72 -4.401 -16.236 0.045 1.00 0.00 H new ATOM 951 N PHE A 73 -5.748 -11.907 0.162 1.00 0.00 N ATOM 952 CA PHE A 73 -6.644 -11.320 1.138 1.00 0.00 C ATOM 953 C PHE A 73 -7.873 -10.757 0.439 1.00 0.00 C ATOM 954 O PHE A 73 -7.815 -10.411 -0.739 1.00 0.00 O ATOM 955 CB PHE A 73 -5.909 -10.225 1.907 1.00 0.00 C ATOM 956 CG PHE A 73 -5.244 -9.204 1.014 1.00 0.00 C ATOM 957 CD1 PHE A 73 -6.021 -8.377 0.195 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.849 -9.084 1.008 1.00 0.00 C ATOM 959 CE1 PHE A 73 -5.404 -7.430 -0.630 1.00 0.00 C ATOM 960 CE2 PHE A 73 -3.232 -8.137 0.182 1.00 0.00 C ATOM 961 CZ PHE A 73 -4.009 -7.310 -0.637 1.00 0.00 C ATOM 0 H PHE A 73 -6.053 -11.802 -0.806 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.971 -12.084 1.843 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.615 -9.717 2.564 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.154 -10.684 2.545 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.097 -8.470 0.200 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.249 -9.722 1.640 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.004 -6.792 -1.261 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -2.156 -8.045 0.177 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.533 -6.580 -1.274 1.00 0.00 H new ATOM 971 N GLU A 74 -8.988 -10.666 1.168 1.00 0.00 N ATOM 972 CA GLU A 74 -10.221 -10.145 0.612 1.00 0.00 C ATOM 973 C GLU A 74 -9.955 -8.822 -0.093 1.00 0.00 C ATOM 974 O GLU A 74 -9.595 -7.836 0.547 1.00 0.00 O ATOM 975 CB GLU A 74 -11.245 -9.966 1.729 1.00 0.00 C ATOM 976 CG GLU A 74 -10.600 -9.224 2.896 1.00 0.00 C ATOM 977 CD GLU A 74 -10.306 -10.174 4.048 1.00 0.00 C ATOM 978 OE1 GLU A 74 -11.222 -10.361 4.878 1.00 0.00 O ATOM 979 OE2 GLU A 74 -9.170 -10.695 4.078 1.00 0.00 O ATOM 0 H GLU A 74 -9.054 -10.949 2.146 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.618 -10.848 -0.120 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.106 -9.409 1.361 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.612 -10.938 2.060 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.676 -8.751 2.565 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.262 -8.428 3.236 1.00 0.00 H new ATOM 986 N GLY A 75 -10.134 -8.801 -1.416 1.00 0.00 N ATOM 987 CA GLY A 75 -9.912 -7.600 -2.195 1.00 0.00 C ATOM 988 C GLY A 75 -11.017 -6.587 -1.927 1.00 0.00 C ATOM 989 O GLY A 75 -12.059 -6.614 -2.579 1.00 0.00 O ATOM 0 H GLY A 75 -10.433 -9.608 -1.963 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.944 -7.168 -1.943 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.884 -7.846 -3.256 1.00 0.00 H new ATOM 993 N PHE A 76 -10.787 -5.691 -0.965 1.00 0.00 N ATOM 994 CA PHE A 76 -11.761 -4.676 -0.618 1.00 0.00 C ATOM 995 C PHE A 76 -11.628 -3.488 -1.560 1.00 0.00 C ATOM 996 O PHE A 76 -10.755 -2.643 -1.377 1.00 0.00 O ATOM 997 CB PHE A 76 -11.551 -4.245 0.831 1.00 0.00 C ATOM 998 CG PHE A 76 -12.621 -4.746 1.771 1.00 0.00 C ATOM 999 CD1 PHE A 76 -13.850 -4.081 1.851 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.383 -5.875 2.564 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -14.841 -4.545 2.724 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.374 -6.339 3.437 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.603 -5.674 3.517 1.00 0.00 C ATOM 0 H PHE A 76 -9.929 -5.655 -0.415 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.767 -5.082 -0.720 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.581 -4.607 1.172 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.519 -3.156 0.877 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -14.034 -3.210 1.239 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.435 -6.388 2.502 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -15.789 -4.032 2.786 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.190 -7.210 4.049 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.368 -6.032 4.190 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.497 -3.426 -2.571 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.473 -2.344 -3.536 1.00 0.00 C ATOM 1015 C LEU A 77 -12.666 -1.013 -2.823 1.00 0.00 C ATOM 1016 O LEU A 77 -13.603 -0.853 -2.043 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.569 -2.564 -4.575 1.00 0.00 C ATOM 1018 CG LEU A 77 -14.018 -1.218 -5.134 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -12.848 -0.549 -5.851 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -15.163 -1.432 -6.119 1.00 0.00 C ATOM 0 H LEU A 77 -13.226 -4.120 -2.736 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.508 -2.326 -4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.199 -3.199 -5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.415 -3.082 -4.123 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.356 -0.580 -4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.168 0.413 -6.251 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.030 -0.395 -5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.509 -1.187 -6.668 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.484 -0.470 -6.518 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.826 -2.070 -6.936 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -15.999 -1.909 -5.607 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.777 -0.054 -3.093 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.856 1.255 -2.478 1.00 0.00 C ATOM 1034 C PHE A 78 -13.280 1.785 -2.571 1.00 0.00 C ATOM 1035 O PHE A 78 -13.749 2.473 -1.667 1.00 0.00 O ATOM 1036 CB PHE A 78 -10.879 2.201 -3.171 1.00 0.00 C ATOM 1037 CG PHE A 78 -11.022 2.220 -4.674 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -11.965 3.061 -5.277 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -10.214 1.394 -5.465 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -12.099 3.077 -6.670 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -10.349 1.410 -6.858 1.00 0.00 C ATOM 1042 CZ PHE A 78 -11.291 2.252 -7.461 1.00 0.00 C ATOM 0 H PHE A 78 -10.995 -0.169 -3.737 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.586 1.183 -1.424 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -11.029 3.210 -2.787 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -9.860 1.910 -2.915 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -12.589 3.697 -4.667 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.487 0.745 -5.000 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -12.826 3.726 -7.135 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -9.726 0.772 -7.468 1.00 0.00 H new ATOM 0 HZ PHE A 78 -11.394 2.265 -8.536 1.00 0.00 H new ATOM 1052 N ASP A 79 -13.967 1.463 -3.669 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.331 1.907 -3.875 1.00 0.00 C ATOM 1054 C ASP A 79 -16.207 1.429 -2.727 1.00 0.00 C ATOM 1055 O ASP A 79 -17.311 1.934 -2.533 1.00 0.00 O ATOM 1056 CB ASP A 79 -15.844 1.371 -5.208 1.00 0.00 C ATOM 1057 CG ASP A 79 -16.732 2.395 -5.901 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -17.954 2.353 -5.644 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -16.171 3.200 -6.675 1.00 0.00 O ATOM 0 H ASP A 79 -13.592 0.894 -4.427 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.364 2.996 -3.901 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.001 1.120 -5.852 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.404 0.451 -5.043 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.715 0.450 -1.963 1.00 0.00 N ATOM 1065 CA GLY A 80 -16.459 -0.087 -0.841 1.00 0.00 C ATOM 1066 C GLY A 80 -17.189 -1.357 -1.253 1.00 0.00 C ATOM 1067 O GLY A 80 -18.231 -1.687 -0.691 1.00 0.00 O ATOM 0 H GLY A 80 -14.802 0.018 -2.109 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.781 -0.301 -0.015 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -17.175 0.653 -0.483 1.00 0.00 H new ATOM 1071 N THR A 81 -16.640 -2.071 -2.238 1.00 0.00 N ATOM 1072 CA THR A 81 -17.243 -3.299 -2.715 1.00 0.00 C ATOM 1073 C THR A 81 -16.306 -4.471 -2.460 1.00 0.00 C ATOM 1074 O THR A 81 -15.089 -4.303 -2.436 1.00 0.00 O ATOM 1075 CB THR A 81 -17.550 -3.168 -4.204 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.704 -2.377 -4.378 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.790 -4.553 -4.799 1.00 0.00 C ATOM 0 H THR A 81 -15.777 -1.812 -2.716 1.00 0.00 H new ATOM 0 HA THR A 81 -18.174 -3.482 -2.178 1.00 0.00 H new ATOM 0 HB THR A 81 -16.706 -2.697 -4.708 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.901 -2.291 -5.334 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.009 -4.459 -5.863 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.899 -5.166 -4.665 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.634 -5.024 -4.295 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.878 -5.662 -2.268 1.00 0.00 N ATOM 1086 CA ARG A 82 -16.095 -6.854 -2.014 1.00 0.00 C ATOM 1087 C ARG A 82 -15.690 -7.496 -3.334 1.00 0.00 C ATOM 1088 O ARG A 82 -16.471 -8.231 -3.934 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.912 -7.828 -1.169 1.00 0.00 C ATOM 1090 CG ARG A 82 -15.976 -8.625 -0.264 1.00 0.00 C ATOM 1091 CD ARG A 82 -16.799 -9.417 0.748 1.00 0.00 C ATOM 1092 NE ARG A 82 -16.303 -10.788 0.869 1.00 0.00 N ATOM 1093 CZ ARG A 82 -16.805 -11.666 1.749 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -17.805 -11.302 2.563 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -16.307 -12.909 1.814 1.00 0.00 N ATOM 0 H ARG A 82 -17.886 -5.818 -2.286 1.00 0.00 H new ATOM 0 HA ARG A 82 -15.190 -6.589 -1.468 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -17.640 -7.283 -0.568 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -17.474 -8.503 -1.814 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -15.365 -9.302 -0.861 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -15.293 -7.952 0.254 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -16.759 -8.925 1.720 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -17.845 -9.431 0.441 1.00 0.00 H new ATOM 0 HE ARG A 82 -15.543 -11.088 0.258 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -18.185 -10.357 2.513 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -18.187 -11.970 3.232 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -15.546 -13.187 1.194 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -16.689 -13.577 2.484 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.465 -7.216 -3.785 1.00 0.00 N ATOM 1110 CA TRP A 83 -13.968 -7.770 -5.029 1.00 0.00 C ATOM 1111 C TRP A 83 -13.837 -9.281 -4.908 1.00 0.00 C ATOM 1112 O TRP A 83 -14.417 -10.022 -5.698 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.621 -7.135 -5.364 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.025 -7.573 -6.663 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -11.011 -8.456 -6.798 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -12.383 -7.167 -8.019 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -10.719 -8.622 -8.135 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -11.536 -7.849 -8.934 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -13.336 -6.291 -8.569 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -11.629 -7.673 -10.318 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -13.437 -6.108 -9.956 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -12.588 -6.795 -10.831 1.00 0.00 C ATOM 0 H TRP A 83 -13.805 -6.608 -3.301 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.669 -7.551 -5.834 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.741 -6.052 -5.383 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -11.918 -7.364 -4.563 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -10.507 -8.955 -5.984 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -9.989 -9.240 -8.490 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -14.001 -5.750 -7.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -10.968 -8.209 -10.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -14.178 -5.430 -10.353 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -12.673 -6.648 -11.897 1.00 0.00 H new ATOM 1133 N GLY A 84 -13.072 -9.738 -3.913 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.872 -11.157 -3.698 1.00 0.00 C ATOM 1135 C GLY A 84 -11.457 -11.421 -3.203 1.00 0.00 C ATOM 1136 O GLY A 84 -10.598 -10.545 -3.273 1.00 0.00 O ATOM 0 H GLY A 84 -12.584 -9.138 -3.248 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.594 -11.527 -2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.047 -11.701 -4.626 1.00 0.00 H new ATOM 1140 N THR A 85 -11.215 -12.634 -2.700 1.00 0.00 N ATOM 1141 CA THR A 85 -9.907 -13.003 -2.199 1.00 0.00 C ATOM 1142 C THR A 85 -8.855 -12.775 -3.275 1.00 0.00 C ATOM 1143 O THR A 85 -8.796 -13.513 -4.256 1.00 0.00 O ATOM 1144 CB THR A 85 -9.925 -14.466 -1.763 1.00 0.00 C ATOM 1145 OG1 THR A 85 -11.250 -14.856 -1.479 1.00 0.00 O ATOM 1146 CG2 THR A 85 -9.066 -14.634 -0.512 1.00 0.00 C ATOM 0 H THR A 85 -11.915 -13.372 -2.633 1.00 0.00 H new ATOM 0 HA THR A 85 -9.656 -12.382 -1.339 1.00 0.00 H new ATOM 0 HB THR A 85 -9.527 -15.089 -2.564 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.649 -15.264 -2.276 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.078 -15.678 -0.200 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.042 -14.333 -0.731 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.464 -14.011 0.289 1.00 0.00 H new ATOM 1154 N VAL A 86 -8.024 -11.747 -3.088 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.980 -11.425 -4.040 1.00 0.00 C ATOM 1156 C VAL A 86 -5.767 -12.311 -3.793 1.00 0.00 C ATOM 1157 O VAL A 86 -5.494 -12.690 -2.656 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.608 -9.951 -3.908 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -5.375 -9.659 -4.758 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -7.773 -9.089 -4.387 1.00 0.00 C ATOM 0 H VAL A 86 -8.061 -11.126 -2.280 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.338 -11.606 -5.053 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.391 -9.722 -2.865 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.109 -8.606 -4.664 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.543 -10.275 -4.416 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.590 -9.887 -5.802 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.509 -8.036 -4.293 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.990 -9.317 -5.431 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.654 -9.298 -3.780 1.00 0.00 H new ATOM 1170 N ASP A 87 -5.039 -12.642 -4.862 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.862 -13.481 -4.756 1.00 0.00 C ATOM 1172 C ASP A 87 -2.624 -12.679 -5.129 1.00 0.00 C ATOM 1173 O ASP A 87 -2.272 -12.587 -6.303 1.00 0.00 O ATOM 1174 CB ASP A 87 -4.018 -14.692 -5.671 1.00 0.00 C ATOM 1175 CG ASP A 87 -4.639 -15.863 -4.921 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -5.880 -15.848 -4.772 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -3.860 -16.751 -4.511 1.00 0.00 O ATOM 0 H ASP A 87 -5.252 -12.336 -5.811 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.749 -13.830 -3.730 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.642 -14.430 -6.525 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.044 -14.983 -6.065 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.962 -12.098 -4.125 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.768 -11.308 -4.352 1.00 0.00 C ATOM 1184 C CYS A 88 0.235 -12.113 -5.166 1.00 0.00 C ATOM 1185 O CYS A 88 1.067 -11.543 -5.868 1.00 0.00 O ATOM 1186 CB CYS A 88 -0.169 -10.897 -3.010 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.910 -9.405 -2.300 1.00 0.00 S ATOM 0 H CYS A 88 -2.241 -12.166 -3.146 1.00 0.00 H new ATOM 0 HA CYS A 88 -1.023 -10.408 -4.912 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -0.286 -11.720 -2.304 1.00 0.00 H new ATOM 0 HB3 CYS A 88 0.901 -10.734 -3.136 1.00 0.00 H new ATOM 1192 N THR A 89 0.154 -13.442 -5.072 1.00 0.00 N ATOM 1193 CA THR A 89 1.054 -14.313 -5.801 1.00 0.00 C ATOM 1194 C THR A 89 0.587 -14.452 -7.243 1.00 0.00 C ATOM 1195 O THR A 89 1.212 -15.153 -8.036 1.00 0.00 O ATOM 1196 CB THR A 89 1.108 -15.676 -5.117 1.00 0.00 C ATOM 1197 OG1 THR A 89 -0.182 -16.246 -5.103 1.00 0.00 O ATOM 1198 CG2 THR A 89 1.603 -15.506 -3.683 1.00 0.00 C ATOM 0 H THR A 89 -0.530 -13.931 -4.495 1.00 0.00 H new ATOM 0 HA THR A 89 2.055 -13.883 -5.805 1.00 0.00 H new ATOM 0 HB THR A 89 1.789 -16.329 -5.662 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.148 -17.122 -4.665 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.642 -16.479 -3.194 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.599 -15.064 -3.692 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.922 -14.853 -3.138 1.00 0.00 H new ATOM 1206 N THR A 90 -0.516 -13.781 -7.582 1.00 0.00 N ATOM 1207 CA THR A 90 -1.057 -13.835 -8.925 1.00 0.00 C ATOM 1208 C THR A 90 -1.009 -12.452 -9.560 1.00 0.00 C ATOM 1209 O THR A 90 -0.926 -12.329 -10.780 1.00 0.00 O ATOM 1210 CB THR A 90 -2.490 -14.356 -8.875 1.00 0.00 C ATOM 1211 OG1 THR A 90 -2.479 -15.766 -8.920 1.00 0.00 O ATOM 1212 CG2 THR A 90 -3.271 -13.815 -10.069 1.00 0.00 C ATOM 0 H THR A 90 -1.047 -13.195 -6.937 1.00 0.00 H new ATOM 0 HA THR A 90 -0.458 -14.512 -9.533 1.00 0.00 H new ATOM 0 HB THR A 90 -2.965 -14.025 -7.951 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.399 -16.102 -8.886 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.295 -14.187 -10.033 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.280 -12.726 -10.035 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.797 -14.145 -10.993 1.00 0.00 H new ATOM 1220 N ALA A 91 -1.060 -11.411 -8.726 1.00 0.00 N ATOM 1221 CA ALA A 91 -1.023 -10.044 -9.207 1.00 0.00 C ATOM 1222 C ALA A 91 0.015 -9.251 -8.427 1.00 0.00 C ATOM 1223 O ALA A 91 0.698 -9.799 -7.564 1.00 0.00 O ATOM 1224 CB ALA A 91 -2.406 -9.416 -9.060 1.00 0.00 C ATOM 0 H ALA A 91 -1.127 -11.498 -7.712 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.744 -10.033 -10.261 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.379 -8.388 -9.421 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.129 -9.987 -9.643 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.699 -9.424 -8.010 1.00 0.00 H new ATOM 1230 N ALA A 92 0.134 -7.957 -8.732 1.00 0.00 N ATOM 1231 CA ALA A 92 1.088 -7.097 -8.061 1.00 0.00 C ATOM 1232 C ALA A 92 0.375 -6.259 -7.009 1.00 0.00 C ATOM 1233 O ALA A 92 -0.582 -5.552 -7.320 1.00 0.00 O ATOM 1234 CB ALA A 92 1.777 -6.204 -9.088 1.00 0.00 C ATOM 0 H ALA A 92 -0.425 -7.488 -9.444 1.00 0.00 H new ATOM 0 HA ALA A 92 1.844 -7.704 -7.563 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.495 -5.557 -8.584 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.297 -6.824 -9.818 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.032 -5.592 -9.597 1.00 0.00 H new ATOM 1240 N CYS A 93 0.843 -6.340 -5.761 1.00 0.00 N ATOM 1241 CA CYS A 93 0.250 -5.591 -4.672 1.00 0.00 C ATOM 1242 C CYS A 93 1.131 -4.398 -4.328 1.00 0.00 C ATOM 1243 O CYS A 93 2.337 -4.428 -4.558 1.00 0.00 O ATOM 1244 CB CYS A 93 0.079 -6.504 -3.461 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.884 -7.999 -3.798 1.00 0.00 S ATOM 0 H CYS A 93 1.635 -6.922 -5.488 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.730 -5.220 -4.972 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.064 -6.793 -3.095 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.406 -5.944 -2.662 1.00 0.00 H new ATOM 1250 N GLN A 94 0.524 -3.345 -3.775 1.00 0.00 N ATOM 1251 CA GLN A 94 1.255 -2.150 -3.404 1.00 0.00 C ATOM 1252 C GLN A 94 0.691 -1.579 -2.111 1.00 0.00 C ATOM 1253 O GLN A 94 -0.512 -1.653 -1.870 1.00 0.00 O ATOM 1254 CB GLN A 94 1.160 -1.127 -4.533 1.00 0.00 C ATOM 1255 CG GLN A 94 0.095 -0.089 -4.192 1.00 0.00 C ATOM 1256 CD GLN A 94 -0.471 0.544 -5.455 1.00 0.00 C ATOM 1257 OE1 GLN A 94 -0.511 -0.093 -6.506 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -0.909 1.800 -5.350 1.00 0.00 N ATOM 0 H GLN A 94 -0.476 -3.304 -3.577 1.00 0.00 H new ATOM 0 HA GLN A 94 2.304 -2.397 -3.241 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.124 -0.640 -4.679 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.910 -1.626 -5.470 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.708 -0.559 -3.625 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.525 0.684 -3.555 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.854 2.286 -4.455 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.299 2.274 -6.165 1.00 0.00 H new ATOM 1267 N VAL A 95 1.564 -1.009 -1.278 1.00 0.00 N ATOM 1268 CA VAL A 95 1.150 -0.429 -0.016 1.00 0.00 C ATOM 1269 C VAL A 95 1.101 1.087 -0.137 1.00 0.00 C ATOM 1270 O VAL A 95 1.712 1.660 -1.036 1.00 0.00 O ATOM 1271 CB VAL A 95 2.124 -0.852 1.081 1.00 0.00 C ATOM 1272 CG1 VAL A 95 2.086 0.166 2.216 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.723 -2.225 1.615 1.00 0.00 C ATOM 0 H VAL A 95 2.565 -0.941 -1.463 1.00 0.00 H new ATOM 0 HA VAL A 95 0.153 -0.786 0.243 1.00 0.00 H new ATOM 0 HB VAL A 95 3.133 -0.901 0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.781 -0.136 2.999 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.372 1.146 1.835 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.077 0.216 2.626 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.418 -2.528 2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.714 -2.176 2.024 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.751 -2.953 0.804 1.00 0.00 H new ATOM 1283 N GLY A 96 0.370 1.738 0.771 1.00 0.00 N ATOM 1284 CA GLY A 96 0.248 3.182 0.756 1.00 0.00 C ATOM 1285 C GLY A 96 -0.593 3.653 1.935 1.00 0.00 C ATOM 1286 O GLY A 96 -1.256 2.850 2.587 1.00 0.00 O ATOM 0 H GLY A 96 -0.144 1.279 1.523 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.237 3.638 0.801 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.210 3.505 -0.179 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.564 4.960 2.206 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.322 5.530 3.302 1.00 0.00 C ATOM 1292 C LEU A 97 -2.071 6.766 2.823 1.00 0.00 C ATOM 1293 O LEU A 97 -1.479 7.661 2.225 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.374 5.883 4.445 1.00 0.00 C ATOM 1295 CG LEU A 97 0.627 6.932 3.971 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.716 8.053 5.002 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.999 6.286 3.802 1.00 0.00 C ATOM 0 H LEU A 97 -0.019 5.639 1.674 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.051 4.804 3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.939 6.263 5.296 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.152 4.990 4.784 1.00 0.00 H new ATOM 0 HG LEU A 97 0.298 7.342 3.016 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.431 8.803 4.664 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.264 8.515 5.123 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.044 7.644 5.957 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.715 7.035 3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.328 5.875 4.757 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.936 5.485 3.065 1.00 0.00 H new ATOM 1309 N SER A 98 -3.379 6.812 3.089 1.00 0.00 N ATOM 1310 CA SER A 98 -4.200 7.936 2.686 1.00 0.00 C ATOM 1311 C SER A 98 -4.734 8.653 3.918 1.00 0.00 C ATOM 1312 O SER A 98 -4.757 8.086 5.008 1.00 0.00 O ATOM 1313 CB SER A 98 -5.346 7.439 1.810 1.00 0.00 C ATOM 1314 OG SER A 98 -4.869 7.197 0.505 1.00 0.00 O ATOM 0 H SER A 98 -3.885 6.077 3.584 1.00 0.00 H new ATOM 0 HA SER A 98 -3.600 8.642 2.111 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.769 6.526 2.229 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.146 8.179 1.785 1.00 0.00 H new ATOM 0 HG SER A 98 -5.604 6.876 -0.058 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.167 9.904 3.742 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.698 10.690 4.837 1.00 0.00 C ATOM 1322 C ASP A 99 -7.168 10.994 4.587 1.00 0.00 C ATOM 1323 O ASP A 99 -7.832 10.283 3.835 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.894 11.981 4.972 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.453 13.066 4.063 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.573 12.786 2.851 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.748 14.157 4.597 1.00 0.00 O ATOM 0 H ASP A 99 -5.156 10.388 2.844 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.616 10.128 5.767 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.916 12.321 6.007 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.850 11.792 4.721 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.677 12.054 5.219 1.00 0.00 N ATOM 1333 CA ALA A 100 -9.064 12.445 5.063 1.00 0.00 C ATOM 1334 C ALA A 100 -9.331 12.830 3.615 1.00 0.00 C ATOM 1335 O ALA A 100 -10.310 12.383 3.023 1.00 0.00 O ATOM 1336 CB ALA A 100 -9.371 13.610 5.999 1.00 0.00 C ATOM 0 H ALA A 100 -7.140 12.654 5.845 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.714 11.609 5.321 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.414 13.905 5.883 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.193 13.305 7.030 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.726 14.454 5.754 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.456 13.663 3.046 1.00 0.00 N ATOM 1343 CA ALA A 101 -8.603 14.105 1.674 1.00 0.00 C ATOM 1344 C ALA A 101 -8.229 12.975 0.726 1.00 0.00 C ATOM 1345 O ALA A 101 -8.700 12.932 -0.408 1.00 0.00 O ATOM 1346 CB ALA A 101 -7.718 15.326 1.437 1.00 0.00 C ATOM 0 H ALA A 101 -7.638 14.041 3.524 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.640 14.382 1.485 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.827 15.660 0.405 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.017 16.128 2.112 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.677 15.063 1.625 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.378 12.057 1.192 1.00 0.00 N ATOM 1353 CA GLY A 102 -6.949 10.936 0.381 1.00 0.00 C ATOM 1354 C GLY A 102 -5.608 11.240 -0.272 1.00 0.00 C ATOM 1355 O GLY A 102 -5.450 11.071 -1.479 1.00 0.00 O ATOM 0 H GLY A 102 -6.977 12.076 2.130 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -6.866 10.042 0.999 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.695 10.726 -0.385 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.640 11.690 0.530 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.321 12.014 0.026 1.00 0.00 C ATOM 1361 C ASN A 103 -2.277 11.141 0.706 1.00 0.00 C ATOM 1362 O ASN A 103 -2.515 10.613 1.790 1.00 0.00 O ATOM 1363 CB ASN A 103 -3.033 13.492 0.273 1.00 0.00 C ATOM 1364 CG ASN A 103 -3.612 13.943 1.606 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -4.509 14.782 1.643 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -3.097 13.383 2.703 1.00 0.00 N ATOM 0 H ASN A 103 -4.754 11.836 1.533 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.281 11.822 -1.046 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -1.957 13.663 0.263 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.458 14.089 -0.533 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.448 13.648 3.623 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -2.353 12.690 2.621 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.115 10.989 0.067 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.044 10.181 0.616 1.00 0.00 C ATOM 1375 C GLY A 104 1.237 10.391 -0.179 1.00 0.00 C ATOM 1376 O GLY A 104 1.241 11.110 -1.176 1.00 0.00 O ATOM 0 H GLY A 104 -0.899 11.419 -0.832 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.121 10.445 1.661 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.325 9.128 0.594 1.00 0.00 H new ATOM 1380 N PRO A 105 2.327 9.762 0.266 1.00 0.00 N ATOM 1381 CA PRO A 105 3.629 9.843 -0.361 1.00 0.00 C ATOM 1382 C PRO A 105 3.619 9.055 -1.663 1.00 0.00 C ATOM 1383 O PRO A 105 2.660 8.344 -1.953 1.00 0.00 O ATOM 1384 CB PRO A 105 4.589 9.219 0.649 1.00 0.00 C ATOM 1385 CG PRO A 105 3.707 8.198 1.368 1.00 0.00 C ATOM 1386 CD PRO A 105 2.358 8.909 1.434 1.00 0.00 C ATOM 0 HA PRO A 105 3.917 10.864 -0.610 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.440 8.745 0.159 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.991 9.962 1.337 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.644 7.259 0.818 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.089 7.961 2.361 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.535 8.195 1.423 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.263 9.491 2.351 1.00 0.00 H new ATOM 1394 N GLU A 106 4.690 9.185 -2.450 1.00 0.00 N ATOM 1395 CA GLU A 106 4.795 8.485 -3.714 1.00 0.00 C ATOM 1396 C GLU A 106 4.265 7.066 -3.569 1.00 0.00 C ATOM 1397 O GLU A 106 4.601 6.370 -2.613 1.00 0.00 O ATOM 1398 CB GLU A 106 6.252 8.475 -4.168 1.00 0.00 C ATOM 1399 CG GLU A 106 6.399 9.324 -5.427 1.00 0.00 C ATOM 1400 CD GLU A 106 7.859 9.430 -5.843 1.00 0.00 C ATOM 1401 OE1 GLU A 106 8.587 10.194 -5.173 1.00 0.00 O ATOM 1402 OE2 GLU A 106 8.221 8.744 -6.824 1.00 0.00 O ATOM 0 H GLU A 106 5.493 9.772 -2.226 1.00 0.00 H new ATOM 0 HA GLU A 106 4.195 8.997 -4.467 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.893 8.864 -3.377 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.575 7.453 -4.366 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.817 8.884 -6.237 1.00 0.00 H new ATOM 0 HG3 GLU A 106 5.994 10.320 -5.248 1.00 0.00 H new ATOM 1409 N GLY A 107 3.435 6.636 -4.522 1.00 0.00 N ATOM 1410 CA GLY A 107 2.866 5.303 -4.491 1.00 0.00 C ATOM 1411 C GLY A 107 3.949 4.275 -4.198 1.00 0.00 C ATOM 1412 O GLY A 107 5.126 4.518 -4.454 1.00 0.00 O ATOM 0 H GLY A 107 3.147 7.199 -5.322 1.00 0.00 H new ATOM 0 HA2 GLY A 107 2.088 5.250 -3.729 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.392 5.080 -5.447 1.00 0.00 H new ATOM 1416 N VAL A 108 3.548 3.121 -3.659 1.00 0.00 N ATOM 1417 CA VAL A 108 4.482 2.062 -3.334 1.00 0.00 C ATOM 1418 C VAL A 108 4.086 0.785 -4.060 1.00 0.00 C ATOM 1419 O VAL A 108 3.124 0.123 -3.676 1.00 0.00 O ATOM 1420 CB VAL A 108 4.497 1.844 -1.824 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.397 0.658 -1.490 1.00 0.00 C ATOM 1422 CG2 VAL A 108 5.029 3.097 -1.134 1.00 0.00 C ATOM 0 H VAL A 108 2.575 2.904 -3.441 1.00 0.00 H new ATOM 0 HA VAL A 108 5.484 2.344 -3.657 1.00 0.00 H new ATOM 0 HB VAL A 108 3.484 1.640 -1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.408 0.502 -0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 108 5.017 -0.237 -1.982 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.410 0.861 -1.838 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.040 2.942 -0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.042 3.301 -1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.386 3.944 -1.372 1.00 0.00 H new ATOM 1432 N ALA A 109 4.831 0.439 -5.113 1.00 0.00 N ATOM 1433 CA ALA A 109 4.554 -0.754 -5.886 1.00 0.00 C ATOM 1434 C ALA A 109 5.261 -1.949 -5.262 1.00 0.00 C ATOM 1435 O ALA A 109 6.409 -1.841 -4.837 1.00 0.00 O ATOM 1436 CB ALA A 109 5.016 -0.545 -7.326 1.00 0.00 C ATOM 0 H ALA A 109 5.632 0.977 -5.443 1.00 0.00 H new ATOM 0 HA ALA A 109 3.482 -0.950 -5.886 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.808 -1.442 -7.909 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.483 0.301 -7.760 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.087 -0.344 -7.339 1.00 0.00 H new ATOM 1442 N ILE A 110 4.571 -3.091 -5.206 1.00 0.00 N ATOM 1443 CA ILE A 110 5.133 -4.299 -4.636 1.00 0.00 C ATOM 1444 C ILE A 110 5.217 -5.381 -5.704 1.00 0.00 C ATOM 1445 O ILE A 110 4.500 -5.328 -6.701 1.00 0.00 O ATOM 1446 CB ILE A 110 4.268 -4.758 -3.466 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.694 -3.540 -2.748 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.119 -5.568 -2.492 1.00 0.00 C ATOM 1449 CD1 ILE A 110 2.900 -3.997 -1.527 1.00 0.00 C ATOM 0 H ILE A 110 3.618 -3.195 -5.553 1.00 0.00 H new ATOM 0 HA ILE A 110 6.140 -4.100 -4.269 1.00 0.00 H new ATOM 0 HB ILE A 110 3.452 -5.377 -3.839 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.499 -2.872 -2.442 1.00 0.00 H new ATOM 0 HG13 ILE A 110 3.051 -2.976 -3.423 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.502 -5.896 -1.656 1.00 0.00 H new ATOM 0 HG22 ILE A 110 5.529 -6.438 -3.004 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.935 -4.948 -2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.490 -3.127 -1.014 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.086 -4.648 -1.845 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.557 -4.542 -0.849 1.00 0.00 H new ATOM 1461 N SER A 111 6.095 -6.364 -5.493 1.00 0.00 N ATOM 1462 CA SER A 111 6.265 -7.451 -6.435 1.00 0.00 C ATOM 1463 C SER A 111 6.676 -8.717 -5.696 1.00 0.00 C ATOM 1464 O SER A 111 7.632 -8.705 -4.924 1.00 0.00 O ATOM 1465 CB SER A 111 7.318 -7.065 -7.471 1.00 0.00 C ATOM 1466 OG SER A 111 7.121 -7.821 -8.645 1.00 0.00 O ATOM 0 H SER A 111 6.697 -6.421 -4.672 1.00 0.00 H new ATOM 0 HA SER A 111 5.322 -7.643 -6.947 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.250 -6.001 -7.695 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.317 -7.244 -7.074 1.00 0.00 H new ATOM 0 HG SER A 111 7.795 -7.573 -9.311 1.00 0.00 H new ATOM 1472 N PHE A 112 5.950 -9.811 -5.935 1.00 0.00 N ATOM 1473 CA PHE A 112 6.243 -11.076 -5.292 1.00 0.00 C ATOM 1474 C PHE A 112 7.006 -11.978 -6.252 1.00 0.00 C ATOM 1475 O PHE A 112 6.574 -12.193 -7.382 1.00 0.00 O ATOM 1476 CB PHE A 112 4.940 -11.736 -4.851 1.00 0.00 C ATOM 1477 CG PHE A 112 4.176 -10.934 -3.823 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.638 -9.688 -4.167 1.00 0.00 C ATOM 1479 CD2 PHE A 112 4.009 -11.436 -2.527 1.00 0.00 C ATOM 1480 CE1 PHE A 112 2.933 -8.944 -3.214 1.00 0.00 C ATOM 1481 CE2 PHE A 112 3.304 -10.691 -1.574 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.765 -9.446 -1.917 1.00 0.00 C ATOM 0 H PHE A 112 5.154 -9.837 -6.573 1.00 0.00 H new ATOM 0 HA PHE A 112 6.864 -10.906 -4.413 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.306 -11.890 -5.724 1.00 0.00 H new ATOM 0 HB3 PHE A 112 5.162 -12.721 -4.440 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.767 -9.301 -5.167 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.424 -12.397 -2.262 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.518 -7.983 -3.479 1.00 0.00 H new ATOM 0 HE2 PHE A 112 3.176 -11.077 -0.574 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.220 -8.872 -1.182 1.00 0.00 H new ATOM 1492 N ASN A 113 8.146 -12.507 -5.799 1.00 0.00 N ATOM 1493 CA ASN A 113 8.960 -13.382 -6.618 1.00 0.00 C ATOM 1494 C ASN A 113 9.436 -12.637 -7.857 1.00 0.00 C ATOM 1495 O ASN A 113 10.364 -11.834 -7.783 1.00 0.00 O ATOM 1496 CB ASN A 113 8.147 -14.613 -7.008 1.00 0.00 C ATOM 1497 CG ASN A 113 7.765 -15.423 -5.777 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.485 -16.339 -5.387 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.628 -15.083 -5.165 1.00 0.00 N ATOM 0 H ASN A 113 8.519 -12.338 -4.865 1.00 0.00 H new ATOM 0 HA ASN A 113 9.835 -13.703 -6.053 1.00 0.00 H new ATOM 0 HB2 ASN A 113 7.247 -14.306 -7.540 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.725 -15.234 -7.692 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.324 -15.592 -4.335 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.064 -14.314 -5.527 1.00 0.00 H new