USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 944 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 45 TYR OH : rot 115:sc= 0.712 USER MOD Set 1.2: A 46 GLN :FLIP amide:sc= 0.472 F(o=-0.42,f=1.2) USER MOD Set 2.1: A 41 GLN :FLIP amide:sc= -4.87! C(o=-31!,f=-22!) USER MOD Set 2.2: A 47 HIS : no HE2:sc= -4.52! C(o=-22!,f=-30!) USER MOD Set 2.3: A 50 GLN : amide:sc= -12.1! C(o=-22!,f=-29!) USER MOD Set 3.1: A 15 ASN :FLIP amide:sc= -6.8! C(o=-7.8!,f=-5.7!) USER MOD Set 3.2: A 107 ASN : amide:sc= 1.06 K(o=-5.7,f=-7.8) USER MOD Single : A 3 THR OG1 : rot 3:sc= 0.836 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.428) USER MOD Single : A 10 CYS SG : rot 73:sc= -0.524! USER MOD Single : A 14 TYR OH : rot 100:sc= -1.45 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 31 TYR OH : rot 9:sc= -5.42! USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0243 USER MOD Single : A 51 GLN :FLIP amide:sc= -11.1! C(o=-13!,f=-11!) USER MOD Single : A 52 CYS SG : rot 72:sc= -5.78! USER MOD Single : A 53 THR OG1 : rot 132:sc= 0.716 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 74:sc= -1.36 USER MOD Single : A 74 SER OG : rot -41:sc= -5.25! USER MOD Single : A 75 LYS NZ :NH3+ -115:sc= -2.18 (180deg=-7!) USER MOD Single : A 80 THR OG1 : rot 75:sc= 0.499 USER MOD Single : A 87 SER OG : rot 26:sc= 0.261 USER MOD Single : A 90 GLN :FLIP amide:sc= -5.43! C(o=-6.1!,f=-5.4!) USER MOD Single : A 93 LYS NZ :NH3+ -147:sc= -0.12 (180deg=-1.14) USER MOD Single : A 94 THR OG1 : rot -162:sc= -0.812 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0215 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 84:sc= 0.568 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN :FLIP amide:sc= -3.99 F(o=-5.2!,f=-4) USER MOD Single : A 110 LYS NZ :NH3+ -128:sc= -0.33 (180deg=-1.3!) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= -0.065 USER MOD Single : A 130 LYS NZ :NH3+ -143:sc= -0.213 (180deg=-1.44!) USER MOD ----------------------------------------------------------------- ATOM 30 N THR A 3 -10.850 -16.477 5.269 1.00 0.00 N ATOM 31 CA THR A 3 -9.987 -15.298 4.978 1.00 0.00 C ATOM 32 C THR A 3 -9.855 -14.441 6.239 1.00 0.00 C ATOM 33 O THR A 3 -10.812 -14.218 6.952 1.00 0.00 O ATOM 34 CB THR A 3 -10.620 -14.465 3.861 1.00 0.00 C ATOM 35 OG1 THR A 3 -11.757 -15.146 3.351 1.00 0.00 O ATOM 36 CG2 THR A 3 -9.602 -14.254 2.739 1.00 0.00 C ATOM 0 HA THR A 3 -9.001 -15.638 4.663 1.00 0.00 H new ATOM 0 HB THR A 3 -10.924 -13.496 4.258 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.898 -15.973 3.858 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.054 -13.661 1.944 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.731 -13.730 3.132 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.295 -15.221 2.340 1.00 0.00 H new ATOM 44 N LYS A 4 -8.676 -13.957 6.517 1.00 0.00 N ATOM 45 CA LYS A 4 -8.484 -13.112 7.729 1.00 0.00 C ATOM 46 C LYS A 4 -7.595 -11.918 7.379 1.00 0.00 C ATOM 47 O LYS A 4 -6.454 -12.075 6.991 1.00 0.00 O ATOM 48 CB LYS A 4 -7.817 -13.942 8.828 1.00 0.00 C ATOM 49 CG LYS A 4 -8.230 -13.401 10.199 1.00 0.00 C ATOM 50 CD LYS A 4 -7.278 -13.940 11.269 1.00 0.00 C ATOM 51 CE LYS A 4 -8.086 -14.419 12.476 1.00 0.00 C ATOM 52 NZ LYS A 4 -7.158 -14.957 13.511 1.00 0.00 N ATOM 0 H LYS A 4 -7.837 -14.110 5.957 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.451 -12.754 8.082 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.108 -14.988 8.735 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.733 -13.902 8.721 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.208 -12.311 10.193 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.254 -13.698 10.425 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.687 -14.762 10.864 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -6.577 -13.162 11.573 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.669 -13.595 12.887 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.794 -15.189 12.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.706 -15.283 14.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.620 -15.754 13.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.499 -14.209 13.809 1.00 0.00 H new ATOM 66 N ILE A 5 -8.111 -10.726 7.510 1.00 0.00 N ATOM 67 CA ILE A 5 -7.303 -9.517 7.181 1.00 0.00 C ATOM 68 C ILE A 5 -6.979 -8.750 8.466 1.00 0.00 C ATOM 69 O ILE A 5 -7.791 -8.658 9.365 1.00 0.00 O ATOM 70 CB ILE A 5 -8.105 -8.617 6.240 1.00 0.00 C ATOM 71 CG1 ILE A 5 -7.400 -7.267 6.103 1.00 0.00 C ATOM 72 CG2 ILE A 5 -9.508 -8.402 6.810 1.00 0.00 C ATOM 73 CD1 ILE A 5 -7.650 -6.704 4.704 1.00 0.00 C ATOM 0 H ILE A 5 -9.060 -10.537 7.832 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.374 -9.820 6.698 1.00 0.00 H new ATOM 0 HB ILE A 5 -8.179 -9.091 5.261 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.770 -6.573 6.858 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.330 -7.384 6.274 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -10.079 -7.760 6.139 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -10.012 -9.363 6.909 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.434 -7.929 7.789 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.148 -5.741 4.604 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.259 -7.396 3.958 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -8.721 -6.572 4.551 1.00 0.00 H new ATOM 85 N ASP A 6 -5.801 -8.191 8.558 1.00 0.00 N ATOM 86 CA ASP A 6 -5.436 -7.427 9.782 1.00 0.00 C ATOM 87 C ASP A 6 -5.761 -5.948 9.566 1.00 0.00 C ATOM 88 O ASP A 6 -5.002 -5.076 9.942 1.00 0.00 O ATOM 89 CB ASP A 6 -3.939 -7.586 10.058 1.00 0.00 C ATOM 90 CG ASP A 6 -3.682 -8.948 10.705 1.00 0.00 C ATOM 91 OD1 ASP A 6 -4.410 -9.877 10.396 1.00 0.00 O ATOM 92 OD2 ASP A 6 -2.760 -9.039 11.500 1.00 0.00 O ATOM 0 H ASP A 6 -5.079 -8.232 7.839 1.00 0.00 H new ATOM 0 HA ASP A 6 -6.001 -7.807 10.633 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.376 -7.501 9.129 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.593 -6.788 10.715 1.00 0.00 H new ATOM 97 N LYS A 7 -6.878 -5.660 8.952 1.00 0.00 N ATOM 98 CA LYS A 7 -7.250 -4.236 8.699 1.00 0.00 C ATOM 99 C LYS A 7 -6.891 -3.384 9.919 1.00 0.00 C ATOM 100 O LYS A 7 -6.707 -2.187 9.819 1.00 0.00 O ATOM 101 CB LYS A 7 -8.755 -4.119 8.417 1.00 0.00 C ATOM 102 CG LYS A 7 -9.515 -5.287 9.054 1.00 0.00 C ATOM 103 CD LYS A 7 -9.247 -5.321 10.561 1.00 0.00 C ATOM 104 CE LYS A 7 -10.445 -5.948 11.277 1.00 0.00 C ATOM 105 NZ LYS A 7 -10.773 -7.256 10.642 1.00 0.00 N ATOM 0 H LYS A 7 -7.550 -6.349 8.614 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.698 -3.880 7.829 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.132 -3.175 8.810 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.929 -4.108 7.341 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -10.584 -5.182 8.868 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.203 -6.227 8.599 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.344 -5.896 10.768 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.074 -4.311 10.934 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.217 -6.091 12.333 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.305 -5.280 11.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.335 -7.831 11.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.320 -7.092 9.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.893 -7.758 10.408 1.00 0.00 H new ATOM 119 N GLU A 8 -6.786 -3.990 11.070 1.00 0.00 N ATOM 120 CA GLU A 8 -6.435 -3.212 12.290 1.00 0.00 C ATOM 121 C GLU A 8 -5.197 -2.359 12.005 1.00 0.00 C ATOM 122 O GLU A 8 -5.057 -1.262 12.508 1.00 0.00 O ATOM 123 CB GLU A 8 -6.140 -4.173 13.443 1.00 0.00 C ATOM 124 CG GLU A 8 -6.235 -3.422 14.773 1.00 0.00 C ATOM 125 CD GLU A 8 -5.151 -3.929 15.725 1.00 0.00 C ATOM 126 OE1 GLU A 8 -4.982 -5.134 15.810 1.00 0.00 O ATOM 127 OE2 GLU A 8 -4.509 -3.103 16.353 1.00 0.00 O ATOM 0 H GLU A 8 -6.928 -4.989 11.217 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.269 -2.566 12.564 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.848 -5.001 13.430 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.145 -4.603 13.326 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -6.116 -2.351 14.607 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -7.220 -3.569 15.216 1.00 0.00 H new ATOM 134 N ALA A 9 -4.299 -2.854 11.198 1.00 0.00 N ATOM 135 CA ALA A 9 -3.072 -2.071 10.880 1.00 0.00 C ATOM 136 C ALA A 9 -3.396 -1.037 9.799 1.00 0.00 C ATOM 137 O ALA A 9 -3.256 0.153 10.004 1.00 0.00 O ATOM 138 CB ALA A 9 -1.982 -3.015 10.373 1.00 0.00 C ATOM 0 H ALA A 9 -4.362 -3.766 10.746 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.721 -1.562 11.778 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.084 -2.442 10.140 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.753 -3.753 11.142 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.331 -3.524 9.475 1.00 0.00 H new ATOM 144 N CYS A 10 -3.826 -1.479 8.649 1.00 0.00 N ATOM 145 CA CYS A 10 -4.153 -0.521 7.559 1.00 0.00 C ATOM 146 C CYS A 10 -4.964 0.644 8.124 1.00 0.00 C ATOM 147 O CYS A 10 -4.536 1.778 8.089 1.00 0.00 O ATOM 148 CB CYS A 10 -4.968 -1.233 6.476 1.00 0.00 C ATOM 149 SG CYS A 10 -6.401 -0.219 6.034 1.00 0.00 S ATOM 0 H CYS A 10 -3.965 -2.463 8.418 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.228 -0.141 7.126 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -4.349 -1.409 5.597 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -5.296 -2.208 6.835 1.00 0.00 H new ATOM 0 HG CYS A 10 -6.007 0.813 5.348 1.00 0.00 H new ATOM 155 N ARG A 11 -6.133 0.384 8.640 1.00 0.00 N ATOM 156 CA ARG A 11 -6.955 1.495 9.195 1.00 0.00 C ATOM 157 C ARG A 11 -6.067 2.399 10.052 1.00 0.00 C ATOM 158 O ARG A 11 -6.010 3.596 9.856 1.00 0.00 O ATOM 159 CB ARG A 11 -8.079 0.917 10.059 1.00 0.00 C ATOM 160 CG ARG A 11 -9.016 2.043 10.498 1.00 0.00 C ATOM 161 CD ARG A 11 -10.033 1.499 11.503 1.00 0.00 C ATOM 162 NE ARG A 11 -9.374 1.314 12.826 1.00 0.00 N ATOM 163 CZ ARG A 11 -10.099 1.146 13.899 1.00 0.00 C ATOM 164 NH1 ARG A 11 -11.401 1.143 13.813 1.00 0.00 N ATOM 165 NH2 ARG A 11 -9.521 0.983 15.057 1.00 0.00 N ATOM 0 H ARG A 11 -6.553 -0.544 8.701 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.387 2.073 8.379 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.634 0.166 9.497 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.660 0.417 10.932 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.442 2.853 10.948 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.531 2.460 9.633 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.872 2.188 11.596 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.437 0.550 11.150 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.356 1.319 12.894 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.853 1.272 12.908 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.967 1.012 14.651 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.503 0.987 15.124 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.087 0.852 15.895 1.00 0.00 H new ATOM 179 N ALA A 12 -5.375 1.834 11.000 1.00 0.00 N ATOM 180 CA ALA A 12 -4.490 2.656 11.870 1.00 0.00 C ATOM 181 C ALA A 12 -3.402 3.319 11.022 1.00 0.00 C ATOM 182 O ALA A 12 -3.276 4.526 10.998 1.00 0.00 O ATOM 183 CB ALA A 12 -3.837 1.761 12.926 1.00 0.00 C ATOM 0 H ALA A 12 -5.384 0.836 11.211 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.084 3.426 12.361 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.189 2.363 13.563 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.610 1.293 13.535 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.246 0.989 12.433 1.00 0.00 H new ATOM 189 N ALA A 13 -2.613 2.544 10.327 1.00 0.00 N ATOM 190 CA ALA A 13 -1.533 3.141 9.490 1.00 0.00 C ATOM 191 C ALA A 13 -2.145 4.101 8.467 1.00 0.00 C ATOM 192 O ALA A 13 -1.503 5.020 7.999 1.00 0.00 O ATOM 193 CB ALA A 13 -0.781 2.027 8.757 1.00 0.00 C ATOM 0 H ALA A 13 -2.670 1.526 10.303 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.841 3.688 10.130 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.009 2.463 8.145 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.341 1.345 9.485 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.474 1.479 8.119 1.00 0.00 H new ATOM 199 N TYR A 14 -3.382 3.889 8.115 1.00 0.00 N ATOM 200 CA TYR A 14 -4.041 4.781 7.120 1.00 0.00 C ATOM 201 C TYR A 14 -4.293 6.151 7.751 1.00 0.00 C ATOM 202 O TYR A 14 -3.987 7.177 7.176 1.00 0.00 O ATOM 203 CB TYR A 14 -5.375 4.165 6.695 1.00 0.00 C ATOM 204 CG TYR A 14 -5.159 3.231 5.527 1.00 0.00 C ATOM 205 CD1 TYR A 14 -4.022 2.413 5.478 1.00 0.00 C ATOM 206 CD2 TYR A 14 -6.100 3.179 4.491 1.00 0.00 C ATOM 207 CE1 TYR A 14 -3.829 1.546 4.397 1.00 0.00 C ATOM 208 CE2 TYR A 14 -5.907 2.311 3.410 1.00 0.00 C ATOM 209 CZ TYR A 14 -4.770 1.496 3.363 1.00 0.00 C ATOM 210 OH TYR A 14 -4.579 0.639 2.297 1.00 0.00 O ATOM 0 H TYR A 14 -3.967 3.135 8.474 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.396 4.896 6.249 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.817 3.622 7.530 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.077 4.951 6.419 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.294 2.452 6.275 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.976 3.810 4.526 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.953 0.915 4.361 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -6.635 2.270 2.613 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.123 -0.166 2.423 1.00 0.00 H new ATOM 220 N ASN A 15 -4.851 6.176 8.930 1.00 0.00 N ATOM 221 CA ASN A 15 -5.123 7.479 9.598 1.00 0.00 C ATOM 222 C ASN A 15 -3.835 8.009 10.230 1.00 0.00 C ATOM 223 O ASN A 15 -3.763 9.145 10.653 1.00 0.00 O ATOM 224 CB ASN A 15 -6.183 7.284 10.685 1.00 0.00 C ATOM 225 CG ASN A 15 -6.889 5.943 10.474 1.00 0.00 C ATOM 226 OD1 ASN A 15 -7.186 5.559 9.264 1.00 0.00 O flip ATOM 227 ND2 ASN A 15 -7.172 5.238 11.422 1.00 0.00 N flip ATOM 0 H ASN A 15 -5.130 5.350 9.459 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.486 8.195 8.861 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.718 7.311 11.670 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -6.907 8.098 10.652 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.939 5.539 12.369 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.642 4.345 11.271 1.00 0.00 H new ATOM 234 N LEU A 16 -2.815 7.196 10.294 1.00 0.00 N ATOM 235 CA LEU A 16 -1.534 7.659 10.898 1.00 0.00 C ATOM 236 C LEU A 16 -0.802 8.557 9.899 1.00 0.00 C ATOM 237 O LEU A 16 -0.065 9.447 10.274 1.00 0.00 O ATOM 238 CB LEU A 16 -0.662 6.446 11.241 1.00 0.00 C ATOM 239 CG LEU A 16 0.120 6.715 12.530 1.00 0.00 C ATOM 240 CD1 LEU A 16 -0.851 6.854 13.704 1.00 0.00 C ATOM 241 CD2 LEU A 16 1.070 5.546 12.800 1.00 0.00 C ATOM 0 H LEU A 16 -2.814 6.234 9.955 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.739 8.221 11.809 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.286 5.561 11.362 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.028 6.240 10.423 1.00 0.00 H new ATOM 0 HG LEU A 16 0.690 7.637 12.419 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.290 7.045 14.619 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.533 7.683 13.516 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.423 5.932 13.815 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.628 5.735 13.717 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.494 4.627 12.908 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.765 5.442 11.967 1.00 0.00 H new ATOM 253 N VAL A 17 -1.005 8.335 8.630 1.00 0.00 N ATOM 254 CA VAL A 17 -0.327 9.179 7.606 1.00 0.00 C ATOM 255 C VAL A 17 -0.963 10.571 7.600 1.00 0.00 C ATOM 256 O VAL A 17 -0.554 11.449 6.865 1.00 0.00 O ATOM 257 CB VAL A 17 -0.484 8.534 6.225 1.00 0.00 C ATOM 258 CG1 VAL A 17 -0.634 7.021 6.380 1.00 0.00 C ATOM 259 CG2 VAL A 17 -1.729 9.097 5.532 1.00 0.00 C ATOM 0 H VAL A 17 -1.612 7.605 8.257 1.00 0.00 H new ATOM 0 HA VAL A 17 0.733 9.264 7.844 1.00 0.00 H new ATOM 0 HB VAL A 17 0.398 8.754 5.624 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.746 6.564 5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.251 6.616 6.870 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.515 6.803 6.984 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.838 8.637 4.550 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.611 8.880 6.135 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.625 10.176 5.417 1.00 0.00 H new ATOM 269 N ARG A 18 -1.959 10.775 8.419 1.00 0.00 N ATOM 270 CA ARG A 18 -2.632 12.106 8.477 1.00 0.00 C ATOM 271 C ARG A 18 -2.476 12.688 9.885 1.00 0.00 C ATOM 272 O ARG A 18 -2.933 13.775 10.174 1.00 0.00 O ATOM 273 CB ARG A 18 -4.120 11.931 8.161 1.00 0.00 C ATOM 274 CG ARG A 18 -4.888 13.185 8.585 1.00 0.00 C ATOM 275 CD ARG A 18 -6.219 13.248 7.833 1.00 0.00 C ATOM 276 NE ARG A 18 -7.068 12.090 8.230 1.00 0.00 N ATOM 277 CZ ARG A 18 -8.343 12.091 7.954 1.00 0.00 C ATOM 278 NH1 ARG A 18 -8.875 13.105 7.327 1.00 0.00 N ATOM 279 NH2 ARG A 18 -9.088 11.078 8.302 1.00 0.00 N ATOM 0 H ARG A 18 -2.338 10.073 9.055 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.180 12.781 7.750 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.257 11.752 7.094 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.512 11.058 8.683 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.066 13.169 9.660 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.296 14.076 8.373 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.732 14.183 8.058 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.043 13.232 6.757 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.652 11.296 8.718 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.294 13.897 7.053 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.872 13.105 7.111 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.674 10.284 8.790 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.085 11.080 8.086 1.00 0.00 H new ATOM 335 N ALA A 23 4.086 9.819 10.004 1.00 0.00 N ATOM 336 CA ALA A 23 4.510 10.233 8.639 1.00 0.00 C ATOM 337 C ALA A 23 4.489 9.022 7.704 1.00 0.00 C ATOM 338 O ALA A 23 4.882 9.110 6.558 1.00 0.00 O ATOM 339 CB ALA A 23 5.928 10.806 8.699 1.00 0.00 C ATOM 0 HA ALA A 23 3.825 10.992 8.262 1.00 0.00 H new ATOM 0 HB1 ALA A 23 6.240 11.110 7.700 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.943 11.671 9.363 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.612 10.046 9.077 1.00 0.00 H new ATOM 345 N VAL A 24 4.032 7.892 8.177 1.00 0.00 N ATOM 346 CA VAL A 24 3.987 6.685 7.302 1.00 0.00 C ATOM 347 C VAL A 24 3.129 6.993 6.076 1.00 0.00 C ATOM 348 O VAL A 24 1.975 6.620 6.002 1.00 0.00 O ATOM 349 CB VAL A 24 3.379 5.508 8.068 1.00 0.00 C ATOM 350 CG1 VAL A 24 2.083 5.952 8.747 1.00 0.00 C ATOM 351 CG2 VAL A 24 3.076 4.368 7.092 1.00 0.00 C ATOM 0 H VAL A 24 3.689 7.754 9.128 1.00 0.00 H new ATOM 0 HA VAL A 24 4.998 6.422 6.992 1.00 0.00 H new ATOM 0 HB VAL A 24 4.085 5.165 8.824 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.652 5.112 9.292 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.296 6.764 9.442 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.376 6.296 7.992 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.643 3.529 7.636 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.370 4.714 6.337 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.999 4.049 6.608 1.00 0.00 H new ATOM 361 N ILE A 25 3.681 7.687 5.121 1.00 0.00 N ATOM 362 CA ILE A 25 2.903 8.041 3.904 1.00 0.00 C ATOM 363 C ILE A 25 2.048 6.844 3.462 1.00 0.00 C ATOM 364 O ILE A 25 0.839 6.946 3.391 1.00 0.00 O ATOM 365 CB ILE A 25 3.873 8.481 2.793 1.00 0.00 C ATOM 366 CG1 ILE A 25 3.206 8.364 1.419 1.00 0.00 C ATOM 367 CG2 ILE A 25 5.134 7.619 2.824 1.00 0.00 C ATOM 368 CD1 ILE A 25 4.188 8.826 0.342 1.00 0.00 C ATOM 0 H ILE A 25 4.643 8.026 5.132 1.00 0.00 H new ATOM 0 HA ILE A 25 2.228 8.869 4.120 1.00 0.00 H new ATOM 0 HB ILE A 25 4.143 9.523 2.967 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.904 7.333 1.235 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.301 8.971 1.388 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.813 7.939 2.034 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.625 7.728 3.791 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.864 6.574 2.670 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.718 8.745 -0.638 1.00 0.00 H new ATOM 0 HD12 ILE A 25 4.468 9.863 0.525 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.080 8.200 0.370 1.00 0.00 H new ATOM 380 N TRP A 26 2.647 5.712 3.166 1.00 0.00 N ATOM 381 CA TRP A 26 1.829 4.537 2.739 1.00 0.00 C ATOM 382 C TRP A 26 2.277 3.269 3.467 1.00 0.00 C ATOM 383 O TRP A 26 3.400 3.154 3.917 1.00 0.00 O ATOM 384 CB TRP A 26 1.944 4.325 1.225 1.00 0.00 C ATOM 385 CG TRP A 26 3.355 4.008 0.821 1.00 0.00 C ATOM 386 CD1 TRP A 26 4.185 4.864 0.181 1.00 0.00 C ATOM 387 CD2 TRP A 26 4.106 2.765 0.985 1.00 0.00 C ATOM 388 NE1 TRP A 26 5.396 4.238 -0.041 1.00 0.00 N ATOM 389 CE2 TRP A 26 5.397 2.946 0.434 1.00 0.00 C ATOM 390 CE3 TRP A 26 3.802 1.516 1.556 1.00 0.00 C ATOM 391 CZ2 TRP A 26 6.348 1.927 0.449 1.00 0.00 C ATOM 392 CZ3 TRP A 26 4.758 0.490 1.572 1.00 0.00 C ATOM 393 CH2 TRP A 26 6.028 0.695 1.020 1.00 0.00 C ATOM 0 H TRP A 26 3.654 5.555 3.202 1.00 0.00 H new ATOM 0 HA TRP A 26 0.790 4.742 2.995 1.00 0.00 H new ATOM 0 HB2 TRP A 26 1.285 3.512 0.919 1.00 0.00 H new ATOM 0 HB3 TRP A 26 1.608 5.221 0.704 1.00 0.00 H new ATOM 0 HD1 TRP A 26 3.940 5.875 -0.110 1.00 0.00 H new ATOM 0 HE1 TRP A 26 6.192 4.679 -0.501 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.826 1.346 1.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.326 2.090 0.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 4.513 -0.465 2.013 1.00 0.00 H new ATOM 0 HH2 TRP A 26 6.759 -0.100 1.036 1.00 0.00 H new ATOM 404 N VAL A 27 1.397 2.307 3.566 1.00 0.00 N ATOM 405 CA VAL A 27 1.743 1.023 4.240 1.00 0.00 C ATOM 406 C VAL A 27 1.242 -0.129 3.362 1.00 0.00 C ATOM 407 O VAL A 27 0.140 -0.084 2.852 1.00 0.00 O ATOM 408 CB VAL A 27 1.062 0.960 5.609 1.00 0.00 C ATOM 409 CG1 VAL A 27 -0.380 1.454 5.485 1.00 0.00 C ATOM 410 CG2 VAL A 27 1.065 -0.484 6.114 1.00 0.00 C ATOM 0 H VAL A 27 0.444 2.358 3.205 1.00 0.00 H new ATOM 0 HA VAL A 27 2.821 0.949 4.380 1.00 0.00 H new ATOM 0 HB VAL A 27 1.603 1.592 6.313 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.865 1.409 6.460 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.382 2.483 5.125 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.922 0.822 4.781 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.580 -0.529 7.089 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.524 -1.117 5.410 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.093 -0.836 6.203 1.00 0.00 H new ATOM 420 N THR A 28 2.036 -1.154 3.169 1.00 0.00 N ATOM 421 CA THR A 28 1.584 -2.291 2.308 1.00 0.00 C ATOM 422 C THR A 28 1.663 -3.611 3.077 1.00 0.00 C ATOM 423 O THR A 28 2.544 -3.825 3.887 1.00 0.00 O ATOM 424 CB THR A 28 2.478 -2.391 1.068 1.00 0.00 C ATOM 425 OG1 THR A 28 3.829 -2.559 1.471 1.00 0.00 O ATOM 426 CG2 THR A 28 2.343 -1.122 0.226 1.00 0.00 C ATOM 0 H THR A 28 2.970 -1.252 3.567 1.00 0.00 H new ATOM 0 HA THR A 28 0.551 -2.106 2.012 1.00 0.00 H new ATOM 0 HB THR A 28 2.169 -3.248 0.469 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.401 -2.625 0.678 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.981 -1.200 -0.654 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.306 -1.002 -0.087 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.645 -0.258 0.818 1.00 0.00 H new ATOM 434 N PHE A 29 0.753 -4.504 2.800 1.00 0.00 N ATOM 435 CA PHE A 29 0.758 -5.827 3.472 1.00 0.00 C ATOM 436 C PHE A 29 0.775 -6.894 2.389 1.00 0.00 C ATOM 437 O PHE A 29 0.084 -6.786 1.394 1.00 0.00 O ATOM 438 CB PHE A 29 -0.492 -5.995 4.337 1.00 0.00 C ATOM 439 CG PHE A 29 -1.505 -4.935 3.990 1.00 0.00 C ATOM 440 CD1 PHE A 29 -1.411 -3.665 4.568 1.00 0.00 C ATOM 441 CD2 PHE A 29 -2.546 -5.228 3.102 1.00 0.00 C ATOM 442 CE1 PHE A 29 -2.359 -2.686 4.259 1.00 0.00 C ATOM 443 CE2 PHE A 29 -3.493 -4.247 2.790 1.00 0.00 C ATOM 444 CZ PHE A 29 -3.401 -2.977 3.369 1.00 0.00 C ATOM 0 H PHE A 29 -0.002 -4.368 2.128 1.00 0.00 H new ATOM 0 HA PHE A 29 1.631 -5.913 4.119 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.921 -6.985 4.182 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.227 -5.925 5.392 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.606 -3.441 5.253 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.618 -6.210 2.658 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.288 -1.705 4.706 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.295 -4.470 2.102 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.134 -2.220 3.130 1.00 0.00 H new ATOM 454 N ARG A 30 1.568 -7.908 2.557 1.00 0.00 N ATOM 455 CA ARG A 30 1.644 -8.967 1.519 1.00 0.00 C ATOM 456 C ARG A 30 1.088 -10.277 2.069 1.00 0.00 C ATOM 457 O ARG A 30 1.216 -10.579 3.239 1.00 0.00 O ATOM 458 CB ARG A 30 3.099 -9.153 1.113 1.00 0.00 C ATOM 459 CG ARG A 30 3.945 -9.408 2.361 1.00 0.00 C ATOM 460 CD ARG A 30 5.429 -9.369 1.992 1.00 0.00 C ATOM 461 NE ARG A 30 6.250 -9.332 3.235 1.00 0.00 N ATOM 462 CZ ARG A 30 7.527 -9.592 3.183 1.00 0.00 C ATOM 463 NH1 ARG A 30 8.087 -9.888 2.042 1.00 0.00 N ATOM 464 NH2 ARG A 30 8.246 -9.559 4.272 1.00 0.00 N ATOM 0 H ARG A 30 2.168 -8.051 3.369 1.00 0.00 H new ATOM 0 HA ARG A 30 1.053 -8.674 0.651 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.191 -9.990 0.421 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.459 -8.266 0.591 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.729 -8.655 3.119 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.692 -10.377 2.792 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.690 -10.244 1.397 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.639 -8.493 1.379 1.00 0.00 H new ATOM 0 HE ARG A 30 5.813 -9.103 4.128 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.526 -9.916 1.191 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.086 -10.091 2.002 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.809 -9.330 5.165 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.245 -9.763 4.230 1.00 0.00 H new ATOM 478 N TYR A 31 0.462 -11.052 1.229 1.00 0.00 N ATOM 479 CA TYR A 31 -0.121 -12.339 1.684 1.00 0.00 C ATOM 480 C TYR A 31 0.840 -13.030 2.642 1.00 0.00 C ATOM 481 O TYR A 31 1.771 -13.696 2.232 1.00 0.00 O ATOM 482 CB TYR A 31 -0.357 -13.241 0.473 1.00 0.00 C ATOM 483 CG TYR A 31 -1.818 -13.212 0.100 1.00 0.00 C ATOM 484 CD1 TYR A 31 -2.740 -13.983 0.817 1.00 0.00 C ATOM 485 CD2 TYR A 31 -2.250 -12.414 -0.966 1.00 0.00 C ATOM 486 CE1 TYR A 31 -4.094 -13.956 0.469 1.00 0.00 C ATOM 487 CE2 TYR A 31 -3.604 -12.388 -1.314 1.00 0.00 C ATOM 488 CZ TYR A 31 -4.527 -13.159 -0.598 1.00 0.00 C ATOM 489 OH TYR A 31 -5.862 -13.134 -0.942 1.00 0.00 O ATOM 0 H TYR A 31 0.329 -10.845 0.239 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.065 -12.147 2.194 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.250 -12.905 -0.368 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.049 -14.262 0.701 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.406 -14.599 1.639 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.538 -11.819 -1.519 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.806 -14.550 1.023 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.938 -11.772 -2.136 1.00 0.00 H new ATOM 0 HH TYR A 31 -6.384 -13.608 -0.262 1.00 0.00 H new ATOM 499 N ASP A 32 0.615 -12.900 3.917 1.00 0.00 N ATOM 500 CA ASP A 32 1.509 -13.576 4.887 1.00 0.00 C ATOM 501 C ASP A 32 0.851 -14.887 5.300 1.00 0.00 C ATOM 502 O ASP A 32 -0.062 -14.911 6.101 1.00 0.00 O ATOM 503 CB ASP A 32 1.703 -12.686 6.117 1.00 0.00 C ATOM 504 CG ASP A 32 3.194 -12.411 6.318 1.00 0.00 C ATOM 505 OD1 ASP A 32 3.913 -13.349 6.619 1.00 0.00 O ATOM 506 OD2 ASP A 32 3.590 -11.267 6.168 1.00 0.00 O ATOM 0 H ASP A 32 -0.146 -12.357 4.326 1.00 0.00 H new ATOM 0 HA ASP A 32 2.483 -13.766 4.436 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.163 -11.748 5.989 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.290 -13.173 7.000 1.00 0.00 H new ATOM 511 N GLY A 33 1.299 -15.979 4.751 1.00 0.00 N ATOM 512 CA GLY A 33 0.686 -17.288 5.106 1.00 0.00 C ATOM 513 C GLY A 33 -0.819 -17.227 4.838 1.00 0.00 C ATOM 514 O GLY A 33 -1.251 -17.028 3.721 1.00 0.00 O ATOM 0 H GLY A 33 2.061 -16.023 4.074 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.140 -18.087 4.520 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.872 -17.518 6.155 1.00 0.00 H new ATOM 518 N ALA A 34 -1.618 -17.412 5.855 1.00 0.00 N ATOM 519 CA ALA A 34 -3.097 -17.381 5.656 1.00 0.00 C ATOM 520 C ALA A 34 -3.682 -16.100 6.257 1.00 0.00 C ATOM 521 O ALA A 34 -4.854 -16.030 6.572 1.00 0.00 O ATOM 522 CB ALA A 34 -3.725 -18.595 6.344 1.00 0.00 C ATOM 0 H ALA A 34 -1.312 -17.583 6.813 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.314 -17.406 4.588 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.805 -18.576 6.201 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.318 -19.509 5.912 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.500 -18.566 7.410 1.00 0.00 H new ATOM 528 N THR A 35 -2.878 -15.081 6.414 1.00 0.00 N ATOM 529 CA THR A 35 -3.397 -13.808 6.990 1.00 0.00 C ATOM 530 C THR A 35 -2.690 -12.615 6.340 1.00 0.00 C ATOM 531 O THR A 35 -1.483 -12.598 6.198 1.00 0.00 O ATOM 532 CB THR A 35 -3.143 -13.788 8.499 1.00 0.00 C ATOM 533 OG1 THR A 35 -3.703 -14.954 9.087 1.00 0.00 O ATOM 534 CG2 THR A 35 -3.788 -12.544 9.112 1.00 0.00 C ATOM 0 H THR A 35 -1.888 -15.076 6.169 1.00 0.00 H new ATOM 0 HA THR A 35 -4.468 -13.740 6.798 1.00 0.00 H new ATOM 0 HB THR A 35 -2.069 -13.766 8.686 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.540 -14.944 10.053 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.606 -12.532 10.187 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.357 -11.651 8.661 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.862 -12.562 8.926 1.00 0.00 H new ATOM 542 N ILE A 36 -3.433 -11.614 5.950 1.00 0.00 N ATOM 543 CA ILE A 36 -2.810 -10.416 5.316 1.00 0.00 C ATOM 544 C ILE A 36 -2.211 -9.529 6.409 1.00 0.00 C ATOM 545 O ILE A 36 -2.922 -8.970 7.221 1.00 0.00 O ATOM 546 CB ILE A 36 -3.882 -9.633 4.549 1.00 0.00 C ATOM 547 CG1 ILE A 36 -4.385 -10.473 3.371 1.00 0.00 C ATOM 548 CG2 ILE A 36 -3.296 -8.319 4.023 1.00 0.00 C ATOM 549 CD1 ILE A 36 -5.744 -11.081 3.721 1.00 0.00 C ATOM 0 H ILE A 36 -4.448 -11.574 6.044 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.026 -10.727 4.625 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.710 -9.412 5.222 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.471 -9.853 2.479 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.670 -11.263 3.142 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.065 -7.770 3.480 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.943 -7.717 4.860 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.463 -8.534 3.354 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.102 -11.679 2.883 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.643 -11.715 4.602 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.457 -10.283 3.928 1.00 0.00 H new ATOM 561 N VAL A 37 -0.910 -9.399 6.442 1.00 0.00 N ATOM 562 CA VAL A 37 -0.274 -8.551 7.491 1.00 0.00 C ATOM 563 C VAL A 37 0.810 -7.668 6.861 1.00 0.00 C ATOM 564 O VAL A 37 1.426 -8.039 5.882 1.00 0.00 O ATOM 565 CB VAL A 37 0.360 -9.455 8.552 1.00 0.00 C ATOM 566 CG1 VAL A 37 -0.396 -10.782 8.609 1.00 0.00 C ATOM 567 CG2 VAL A 37 1.826 -9.720 8.194 1.00 0.00 C ATOM 0 H VAL A 37 -0.263 -9.842 5.790 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.031 -7.915 7.950 1.00 0.00 H new ATOM 0 HB VAL A 37 0.307 -8.963 9.523 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.055 -11.426 9.364 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.439 -10.596 8.867 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.344 -11.272 7.637 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.275 -10.364 8.951 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.880 -10.210 7.222 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.367 -8.775 8.154 1.00 0.00 H new ATOM 577 N PRO A 38 1.048 -6.509 7.426 1.00 0.00 N ATOM 578 CA PRO A 38 2.077 -5.562 6.923 1.00 0.00 C ATOM 579 C PRO A 38 3.309 -6.283 6.369 1.00 0.00 C ATOM 580 O PRO A 38 3.688 -7.336 6.842 1.00 0.00 O ATOM 581 CB PRO A 38 2.439 -4.754 8.166 1.00 0.00 C ATOM 582 CG PRO A 38 1.210 -4.758 9.024 1.00 0.00 C ATOM 583 CD PRO A 38 0.360 -5.968 8.609 1.00 0.00 C ATOM 0 HA PRO A 38 1.711 -4.956 6.094 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.284 -5.200 8.690 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.729 -3.737 7.901 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.479 -4.822 10.078 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.649 -3.833 8.894 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.303 -6.707 9.408 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.663 -5.673 8.374 1.00 0.00 H new ATOM 591 N GLY A 39 3.934 -5.726 5.368 1.00 0.00 N ATOM 592 CA GLY A 39 5.138 -6.381 4.783 1.00 0.00 C ATOM 593 C GLY A 39 6.215 -5.336 4.517 1.00 0.00 C ATOM 594 O GLY A 39 7.391 -5.571 4.703 1.00 0.00 O ATOM 0 H GLY A 39 3.663 -4.846 4.930 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.517 -7.142 5.465 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.873 -6.888 3.855 1.00 0.00 H new ATOM 598 N ASP A 40 5.812 -4.188 4.072 1.00 0.00 N ATOM 599 CA ASP A 40 6.785 -3.114 3.772 1.00 0.00 C ATOM 600 C ASP A 40 6.188 -1.767 4.171 1.00 0.00 C ATOM 601 O ASP A 40 5.082 -1.687 4.668 1.00 0.00 O ATOM 602 CB ASP A 40 7.079 -3.116 2.279 1.00 0.00 C ATOM 603 CG ASP A 40 8.289 -4.008 1.995 1.00 0.00 C ATOM 604 OD1 ASP A 40 9.294 -3.839 2.663 1.00 0.00 O ATOM 605 OD2 ASP A 40 8.188 -4.845 1.112 1.00 0.00 O ATOM 0 H ASP A 40 4.836 -3.945 3.901 1.00 0.00 H new ATOM 0 HA ASP A 40 7.707 -3.281 4.329 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.211 -3.477 1.728 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.275 -2.100 1.935 1.00 0.00 H new ATOM 610 N GLN A 41 6.914 -0.708 3.961 1.00 0.00 N ATOM 611 CA GLN A 41 6.392 0.637 4.332 1.00 0.00 C ATOM 612 C GLN A 41 7.125 1.712 3.532 1.00 0.00 C ATOM 613 O GLN A 41 7.856 1.423 2.606 1.00 0.00 O ATOM 614 CB GLN A 41 6.623 0.872 5.822 1.00 0.00 C ATOM 615 CG GLN A 41 7.992 0.312 6.223 1.00 0.00 C ATOM 616 CD GLN A 41 9.089 1.001 5.404 1.00 0.00 C ATOM 617 OE1 GLN A 41 9.353 0.576 4.196 1.00 0.00 O flip ATOM 618 NE2 GLN A 41 9.713 1.934 5.867 1.00 0.00 N flip ATOM 0 H GLN A 41 7.847 -0.714 3.548 1.00 0.00 H new ATOM 0 HA GLN A 41 5.326 0.686 4.111 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.575 1.938 6.044 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.837 0.390 6.403 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.164 0.472 7.287 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.020 -0.764 6.054 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.508 2.267 6.809 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.442 2.385 5.314 1.00 0.00 H new ATOM 627 N GLY A 42 6.943 2.952 3.883 1.00 0.00 N ATOM 628 CA GLY A 42 7.638 4.035 3.136 1.00 0.00 C ATOM 629 C GLY A 42 7.432 5.374 3.838 1.00 0.00 C ATOM 630 O GLY A 42 6.380 5.657 4.372 1.00 0.00 O ATOM 0 H GLY A 42 6.347 3.262 4.650 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.703 3.813 3.066 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.255 4.088 2.117 1.00 0.00 H new ATOM 634 N ALA A 43 8.438 6.205 3.813 1.00 0.00 N ATOM 635 CA ALA A 43 8.329 7.547 4.441 1.00 0.00 C ATOM 636 C ALA A 43 8.158 8.550 3.308 1.00 0.00 C ATOM 637 O ALA A 43 8.027 9.741 3.508 1.00 0.00 O ATOM 638 CB ALA A 43 9.608 7.860 5.221 1.00 0.00 C ATOM 0 H ALA A 43 9.339 6.007 3.379 1.00 0.00 H new ATOM 0 HA ALA A 43 7.489 7.589 5.134 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.523 8.845 5.679 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.753 7.110 5.998 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.460 7.848 4.542 1.00 0.00 H new ATOM 644 N ASP A 44 8.140 8.038 2.111 1.00 0.00 N ATOM 645 CA ASP A 44 7.958 8.884 0.906 1.00 0.00 C ATOM 646 C ASP A 44 7.307 8.013 -0.167 1.00 0.00 C ATOM 647 O ASP A 44 7.201 6.813 -0.012 1.00 0.00 O ATOM 648 CB ASP A 44 9.317 9.387 0.414 1.00 0.00 C ATOM 649 CG ASP A 44 10.432 8.703 1.206 1.00 0.00 C ATOM 650 OD1 ASP A 44 10.846 7.628 0.801 1.00 0.00 O ATOM 651 OD2 ASP A 44 10.854 9.264 2.203 1.00 0.00 O ATOM 0 H ASP A 44 8.247 7.043 1.915 1.00 0.00 H new ATOM 0 HA ASP A 44 7.335 9.749 1.132 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.431 9.177 -0.650 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.382 10.468 0.534 1.00 0.00 H new ATOM 656 N TYR A 45 6.880 8.580 -1.255 1.00 0.00 N ATOM 657 CA TYR A 45 6.258 7.735 -2.311 1.00 0.00 C ATOM 658 C TYR A 45 7.364 7.050 -3.118 1.00 0.00 C ATOM 659 O TYR A 45 7.261 5.896 -3.478 1.00 0.00 O ATOM 660 CB TYR A 45 5.367 8.590 -3.216 1.00 0.00 C ATOM 661 CG TYR A 45 6.204 9.348 -4.214 1.00 0.00 C ATOM 662 CD1 TYR A 45 6.797 10.560 -3.850 1.00 0.00 C ATOM 663 CD2 TYR A 45 6.371 8.844 -5.507 1.00 0.00 C ATOM 664 CE1 TYR A 45 7.562 11.269 -4.781 1.00 0.00 C ATOM 665 CE2 TYR A 45 7.134 9.552 -6.439 1.00 0.00 C ATOM 666 CZ TYR A 45 7.731 10.766 -6.077 1.00 0.00 C ATOM 667 OH TYR A 45 8.485 11.466 -6.997 1.00 0.00 O ATOM 0 H TYR A 45 6.932 9.578 -1.460 1.00 0.00 H new ATOM 0 HA TYR A 45 5.630 6.972 -1.851 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.653 7.954 -3.739 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.788 9.289 -2.612 1.00 0.00 H new ATOM 0 HD1 TYR A 45 6.665 10.948 -2.851 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.910 7.908 -5.786 1.00 0.00 H new ATOM 0 HE1 TYR A 45 8.023 12.205 -4.501 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.263 9.163 -7.438 1.00 0.00 H new ATOM 0 HH TYR A 45 9.278 10.942 -7.236 1.00 0.00 H new ATOM 677 N GLN A 46 8.429 7.750 -3.397 1.00 0.00 N ATOM 678 CA GLN A 46 9.542 7.141 -4.173 1.00 0.00 C ATOM 679 C GLN A 46 9.806 5.714 -3.679 1.00 0.00 C ATOM 680 O GLN A 46 10.167 4.834 -4.443 1.00 0.00 O ATOM 681 CB GLN A 46 10.801 7.987 -3.984 1.00 0.00 C ATOM 682 CG GLN A 46 10.523 9.425 -4.424 1.00 0.00 C ATOM 683 CD GLN A 46 11.040 9.633 -5.849 1.00 0.00 C ATOM 684 OE1 GLN A 46 10.272 9.333 -6.859 1.00 0.00 O flip ATOM 685 NE2 GLN A 46 12.157 10.073 -6.044 1.00 0.00 N flip ATOM 0 H GLN A 46 8.575 8.721 -3.119 1.00 0.00 H new ATOM 0 HA GLN A 46 9.272 7.106 -5.228 1.00 0.00 H new ATOM 0 HB2 GLN A 46 11.110 7.969 -2.939 1.00 0.00 H new ATOM 0 HB3 GLN A 46 11.623 7.570 -4.567 1.00 0.00 H new ATOM 0 HG2 GLN A 46 9.453 9.629 -4.381 1.00 0.00 H new ATOM 0 HG3 GLN A 46 11.009 10.125 -3.744 1.00 0.00 H new ATOM 0 HE21 GLN A 46 12.758 10.308 -5.254 1.00 0.00 H new ATOM 0 HE22 GLN A 46 12.493 10.207 -6.998 1.00 0.00 H new ATOM 694 N HIS A 47 9.630 5.467 -2.411 1.00 0.00 N ATOM 695 CA HIS A 47 9.877 4.097 -1.897 1.00 0.00 C ATOM 696 C HIS A 47 8.915 3.124 -2.582 1.00 0.00 C ATOM 697 O HIS A 47 9.300 2.047 -2.981 1.00 0.00 O ATOM 698 CB HIS A 47 9.672 4.070 -0.379 1.00 0.00 C ATOM 699 CG HIS A 47 10.515 2.977 0.221 1.00 0.00 C ATOM 700 ND1 HIS A 47 10.028 2.116 1.195 1.00 0.00 N ATOM 701 CD2 HIS A 47 11.817 2.592 0.000 1.00 0.00 C ATOM 702 CE1 HIS A 47 11.021 1.267 1.520 1.00 0.00 C ATOM 703 NE2 HIS A 47 12.128 1.515 0.820 1.00 0.00 N ATOM 0 H HIS A 47 9.328 6.150 -1.716 1.00 0.00 H new ATOM 0 HA HIS A 47 10.903 3.799 -2.114 1.00 0.00 H new ATOM 0 HB2 HIS A 47 9.945 5.033 0.053 1.00 0.00 H new ATOM 0 HB3 HIS A 47 8.620 3.902 -0.146 1.00 0.00 H new ATOM 0 HD1 HIS A 47 9.089 2.125 1.592 1.00 0.00 H new ATOM 0 HD2 HIS A 47 12.493 3.056 -0.703 1.00 0.00 H new ATOM 0 HE1 HIS A 47 10.932 0.482 2.257 1.00 0.00 H new ATOM 712 N PHE A 48 7.672 3.503 -2.748 1.00 0.00 N ATOM 713 CA PHE A 48 6.706 2.592 -3.429 1.00 0.00 C ATOM 714 C PHE A 48 7.361 2.068 -4.705 1.00 0.00 C ATOM 715 O PHE A 48 7.133 0.950 -5.116 1.00 0.00 O ATOM 716 CB PHE A 48 5.412 3.362 -3.760 1.00 0.00 C ATOM 717 CG PHE A 48 5.329 3.679 -5.243 1.00 0.00 C ATOM 718 CD1 PHE A 48 5.141 2.652 -6.181 1.00 0.00 C ATOM 719 CD2 PHE A 48 5.437 5.007 -5.677 1.00 0.00 C ATOM 720 CE1 PHE A 48 5.066 2.956 -7.546 1.00 0.00 C ATOM 721 CE2 PHE A 48 5.361 5.308 -7.041 1.00 0.00 C ATOM 722 CZ PHE A 48 5.178 4.284 -7.974 1.00 0.00 C ATOM 0 H PHE A 48 7.288 4.398 -2.443 1.00 0.00 H new ATOM 0 HA PHE A 48 6.447 1.755 -2.781 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.547 2.770 -3.462 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.378 4.287 -3.185 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.054 1.628 -5.850 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.579 5.799 -4.957 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.922 2.166 -8.268 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.444 6.332 -7.373 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.123 4.518 -9.027 1.00 0.00 H new ATOM 732 N ILE A 49 8.180 2.864 -5.334 1.00 0.00 N ATOM 733 CA ILE A 49 8.850 2.399 -6.579 1.00 0.00 C ATOM 734 C ILE A 49 9.779 1.236 -6.242 1.00 0.00 C ATOM 735 O ILE A 49 9.823 0.246 -6.945 1.00 0.00 O ATOM 736 CB ILE A 49 9.643 3.553 -7.196 1.00 0.00 C ATOM 737 CG1 ILE A 49 8.675 4.717 -7.451 1.00 0.00 C ATOM 738 CG2 ILE A 49 10.281 3.091 -8.512 1.00 0.00 C ATOM 739 CD1 ILE A 49 8.958 5.367 -8.810 1.00 0.00 C ATOM 0 H ILE A 49 8.413 3.813 -5.041 1.00 0.00 H new ATOM 0 HA ILE A 49 8.104 2.063 -7.300 1.00 0.00 H new ATOM 0 HB ILE A 49 10.437 3.875 -6.523 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.647 4.355 -7.422 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.774 5.459 -6.659 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.846 3.913 -8.951 1.00 0.00 H new ATOM 0 HG22 ILE A 49 10.951 2.254 -8.317 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.500 2.777 -9.204 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.261 6.190 -8.972 1.00 0.00 H new ATOM 0 HD12 ILE A 49 9.979 5.748 -8.826 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.835 4.626 -9.600 1.00 0.00 H new ATOM 751 N GLN A 50 10.503 1.325 -5.158 1.00 0.00 N ATOM 752 CA GLN A 50 11.394 0.196 -4.782 1.00 0.00 C ATOM 753 C GLN A 50 10.563 -0.779 -3.962 1.00 0.00 C ATOM 754 O GLN A 50 10.961 -1.892 -3.683 1.00 0.00 O ATOM 755 CB GLN A 50 12.563 0.717 -3.943 1.00 0.00 C ATOM 756 CG GLN A 50 13.244 -0.453 -3.230 1.00 0.00 C ATOM 757 CD GLN A 50 12.498 -0.763 -1.931 1.00 0.00 C ATOM 758 OE1 GLN A 50 12.193 0.127 -1.164 1.00 0.00 O ATOM 759 NE2 GLN A 50 12.188 -2.000 -1.652 1.00 0.00 N ATOM 0 H GLN A 50 10.515 2.124 -4.524 1.00 0.00 H new ATOM 0 HA GLN A 50 11.800 -0.292 -5.668 1.00 0.00 H new ATOM 0 HB2 GLN A 50 13.280 1.234 -4.581 1.00 0.00 H new ATOM 0 HB3 GLN A 50 12.205 1.442 -3.213 1.00 0.00 H new ATOM 0 HG2 GLN A 50 13.252 -1.331 -3.876 1.00 0.00 H new ATOM 0 HG3 GLN A 50 14.284 -0.206 -3.015 1.00 0.00 H new ATOM 0 HE21 GLN A 50 12.444 -2.748 -2.297 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.689 -2.219 -0.789 1.00 0.00 H new ATOM 768 N GLN A 51 9.408 -0.331 -3.556 1.00 0.00 N ATOM 769 CA GLN A 51 8.519 -1.174 -2.726 1.00 0.00 C ATOM 770 C GLN A 51 7.296 -1.600 -3.521 1.00 0.00 C ATOM 771 O GLN A 51 6.178 -1.220 -3.244 1.00 0.00 O ATOM 772 CB GLN A 51 8.116 -0.383 -1.496 1.00 0.00 C ATOM 773 CG GLN A 51 9.213 -0.547 -0.474 1.00 0.00 C ATOM 774 CD GLN A 51 9.124 -1.953 0.103 1.00 0.00 C ATOM 775 OE1 GLN A 51 8.196 -2.753 -0.350 1.00 0.00 O flip ATOM 776 NE2 GLN A 51 9.898 -2.328 0.960 1.00 0.00 N flip ATOM 0 H GLN A 51 9.042 0.597 -3.770 1.00 0.00 H new ATOM 0 HA GLN A 51 9.044 -2.079 -2.421 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.978 0.669 -1.745 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.167 -0.745 -1.101 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.188 -0.387 -0.935 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.109 0.195 0.317 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.619 -1.696 1.308 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.827 -3.275 1.332 1.00 0.00 H new ATOM 785 N CYS A 52 7.535 -2.408 -4.501 1.00 0.00 N ATOM 786 CA CYS A 52 6.438 -2.935 -5.368 1.00 0.00 C ATOM 787 C CYS A 52 7.035 -3.397 -6.704 1.00 0.00 C ATOM 788 O CYS A 52 6.680 -2.913 -7.761 1.00 0.00 O ATOM 789 CB CYS A 52 5.385 -1.845 -5.615 1.00 0.00 C ATOM 790 SG CYS A 52 4.012 -2.057 -4.453 1.00 0.00 S ATOM 0 H CYS A 52 8.466 -2.740 -4.752 1.00 0.00 H new ATOM 0 HA CYS A 52 5.955 -3.776 -4.870 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.831 -0.858 -5.491 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.020 -1.903 -6.640 1.00 0.00 H new ATOM 0 HG CYS A 52 4.400 -1.725 -3.258 1.00 0.00 H new ATOM 796 N THR A 53 7.949 -4.329 -6.665 1.00 0.00 N ATOM 797 CA THR A 53 8.574 -4.817 -7.929 1.00 0.00 C ATOM 798 C THR A 53 7.614 -5.770 -8.645 1.00 0.00 C ATOM 799 O THR A 53 6.662 -6.258 -8.071 1.00 0.00 O ATOM 800 CB THR A 53 9.875 -5.554 -7.602 1.00 0.00 C ATOM 801 OG1 THR A 53 9.590 -6.922 -7.344 1.00 0.00 O ATOM 802 CG2 THR A 53 10.525 -4.924 -6.370 1.00 0.00 C ATOM 0 H THR A 53 8.290 -4.774 -5.813 1.00 0.00 H new ATOM 0 HA THR A 53 8.788 -3.967 -8.577 1.00 0.00 H new ATOM 0 HB THR A 53 10.559 -5.478 -8.448 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.207 -7.487 -7.855 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.451 -5.450 -6.138 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.743 -3.875 -6.570 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.844 -4.997 -5.522 1.00 0.00 H new ATOM 810 N ASP A 54 7.857 -6.036 -9.901 1.00 0.00 N ATOM 811 CA ASP A 54 6.959 -6.953 -10.658 1.00 0.00 C ATOM 812 C ASP A 54 7.051 -8.363 -10.071 1.00 0.00 C ATOM 813 O ASP A 54 6.340 -9.261 -10.477 1.00 0.00 O ATOM 814 CB ASP A 54 7.386 -6.987 -12.127 1.00 0.00 C ATOM 815 CG ASP A 54 7.634 -5.559 -12.620 1.00 0.00 C ATOM 816 OD1 ASP A 54 8.291 -4.815 -11.910 1.00 0.00 O ATOM 817 OD2 ASP A 54 7.163 -5.235 -13.697 1.00 0.00 O ATOM 0 H ASP A 54 8.639 -5.657 -10.435 1.00 0.00 H new ATOM 0 HA ASP A 54 5.932 -6.595 -10.583 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.291 -7.584 -12.240 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.613 -7.462 -12.731 1.00 0.00 H new ATOM 822 N ASP A 55 7.918 -8.564 -9.117 1.00 0.00 N ATOM 823 CA ASP A 55 8.051 -9.917 -8.506 1.00 0.00 C ATOM 824 C ASP A 55 7.340 -9.938 -7.152 1.00 0.00 C ATOM 825 O ASP A 55 7.528 -10.838 -6.357 1.00 0.00 O ATOM 826 CB ASP A 55 9.534 -10.243 -8.310 1.00 0.00 C ATOM 827 CG ASP A 55 10.348 -9.622 -9.445 1.00 0.00 C ATOM 828 OD1 ASP A 55 10.073 -9.942 -10.589 1.00 0.00 O ATOM 829 OD2 ASP A 55 11.234 -8.836 -9.151 1.00 0.00 O ATOM 0 H ASP A 55 8.539 -7.851 -8.735 1.00 0.00 H new ATOM 0 HA ASP A 55 7.599 -10.659 -9.164 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.878 -9.859 -7.350 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.680 -11.323 -8.292 1.00 0.00 H new ATOM 834 N VAL A 56 6.524 -8.956 -6.882 1.00 0.00 N ATOM 835 CA VAL A 56 5.803 -8.925 -5.579 1.00 0.00 C ATOM 836 C VAL A 56 4.352 -8.490 -5.801 1.00 0.00 C ATOM 837 O VAL A 56 4.029 -7.849 -6.781 1.00 0.00 O ATOM 838 CB VAL A 56 6.494 -7.942 -4.631 1.00 0.00 C ATOM 839 CG1 VAL A 56 6.730 -6.615 -5.352 1.00 0.00 C ATOM 840 CG2 VAL A 56 5.605 -7.704 -3.408 1.00 0.00 C ATOM 0 H VAL A 56 6.326 -8.175 -7.507 1.00 0.00 H new ATOM 0 HA VAL A 56 5.816 -9.922 -5.138 1.00 0.00 H new ATOM 0 HB VAL A 56 7.450 -8.357 -4.313 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.222 -5.916 -4.676 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.362 -6.782 -6.224 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.774 -6.199 -5.671 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.096 -7.004 -2.732 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.649 -7.289 -3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.436 -8.649 -2.892 1.00 0.00 H new ATOM 850 N ARG A 57 3.479 -8.836 -4.895 1.00 0.00 N ATOM 851 CA ARG A 57 2.048 -8.444 -5.047 1.00 0.00 C ATOM 852 C ARG A 57 1.520 -7.906 -3.715 1.00 0.00 C ATOM 853 O ARG A 57 1.669 -8.531 -2.683 1.00 0.00 O ATOM 854 CB ARG A 57 1.221 -9.660 -5.470 1.00 0.00 C ATOM 855 CG ARG A 57 1.735 -10.908 -4.746 1.00 0.00 C ATOM 856 CD ARG A 57 2.987 -11.451 -5.445 1.00 0.00 C ATOM 857 NE ARG A 57 4.081 -11.609 -4.446 1.00 0.00 N ATOM 858 CZ ARG A 57 5.129 -12.331 -4.736 1.00 0.00 C ATOM 859 NH1 ARG A 57 5.218 -12.914 -5.899 1.00 0.00 N ATOM 860 NH2 ARG A 57 6.088 -12.470 -3.861 1.00 0.00 N ATOM 0 H ARG A 57 3.694 -9.374 -4.055 1.00 0.00 H new ATOM 0 HA ARG A 57 1.967 -7.670 -5.810 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.169 -9.497 -5.234 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.287 -9.800 -6.549 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.966 -10.666 -3.709 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.959 -11.673 -4.730 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.768 -12.409 -5.915 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.299 -10.771 -6.238 1.00 0.00 H new ATOM 0 HE ARG A 57 4.011 -11.153 -3.536 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.469 -12.806 -6.582 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.037 -13.478 -6.125 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.018 -12.014 -2.951 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.907 -13.034 -4.087 1.00 0.00 H new ATOM 874 N LEU A 58 0.909 -6.749 -3.722 1.00 0.00 N ATOM 875 CA LEU A 58 0.384 -6.186 -2.446 1.00 0.00 C ATOM 876 C LEU A 58 -0.447 -4.929 -2.722 1.00 0.00 C ATOM 877 O LEU A 58 -0.498 -4.434 -3.829 1.00 0.00 O ATOM 878 CB LEU A 58 1.568 -5.841 -1.535 1.00 0.00 C ATOM 879 CG LEU A 58 2.526 -4.876 -2.251 1.00 0.00 C ATOM 880 CD1 LEU A 58 1.914 -3.474 -2.336 1.00 0.00 C ATOM 881 CD2 LEU A 58 3.841 -4.804 -1.474 1.00 0.00 C ATOM 0 H LEU A 58 0.753 -6.175 -4.550 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.257 -6.921 -1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.206 -5.387 -0.612 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.099 -6.751 -1.256 1.00 0.00 H new ATOM 0 HG LEU A 58 2.705 -5.244 -3.261 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.607 -2.805 -2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.977 -3.519 -2.892 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.722 -3.099 -1.331 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.524 -4.121 -1.978 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.647 -4.444 -0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.290 -5.796 -1.426 1.00 0.00 H new ATOM 893 N PHE A 59 -1.096 -4.403 -1.716 1.00 0.00 N ATOM 894 CA PHE A 59 -1.918 -3.174 -1.912 1.00 0.00 C ATOM 895 C PHE A 59 -1.166 -1.978 -1.326 1.00 0.00 C ATOM 896 O PHE A 59 -0.370 -2.129 -0.421 1.00 0.00 O ATOM 897 CB PHE A 59 -3.262 -3.332 -1.195 1.00 0.00 C ATOM 898 CG PHE A 59 -3.755 -4.751 -1.350 1.00 0.00 C ATOM 899 CD1 PHE A 59 -3.341 -5.738 -0.448 1.00 0.00 C ATOM 900 CD2 PHE A 59 -4.627 -5.078 -2.395 1.00 0.00 C ATOM 901 CE1 PHE A 59 -3.800 -7.053 -0.591 1.00 0.00 C ATOM 902 CE2 PHE A 59 -5.087 -6.393 -2.537 1.00 0.00 C ATOM 903 CZ PHE A 59 -4.673 -7.381 -1.635 1.00 0.00 C ATOM 0 H PHE A 59 -1.092 -4.773 -0.766 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.097 -3.017 -2.976 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.153 -3.088 -0.138 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.991 -2.636 -1.610 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.668 -5.485 0.358 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.945 -4.316 -3.092 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.480 -7.815 0.105 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.761 -6.645 -3.342 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.027 -8.395 -1.745 1.00 0.00 H new ATOM 913 N ALA A 60 -1.408 -0.791 -1.820 1.00 0.00 N ATOM 914 CA ALA A 60 -0.695 0.401 -1.277 1.00 0.00 C ATOM 915 C ALA A 60 -1.699 1.527 -1.018 1.00 0.00 C ATOM 916 O ALA A 60 -2.762 1.572 -1.602 1.00 0.00 O ATOM 917 CB ALA A 60 0.350 0.874 -2.290 1.00 0.00 C ATOM 0 H ALA A 60 -2.067 -0.597 -2.574 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.203 0.133 -0.342 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.872 1.745 -1.894 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.067 0.074 -2.474 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.144 1.140 -3.225 1.00 0.00 H new ATOM 923 N PHE A 61 -1.364 2.437 -0.147 1.00 0.00 N ATOM 924 CA PHE A 61 -2.288 3.566 0.160 1.00 0.00 C ATOM 925 C PHE A 61 -1.447 4.791 0.527 1.00 0.00 C ATOM 926 O PHE A 61 -1.009 4.934 1.647 1.00 0.00 O ATOM 927 CB PHE A 61 -3.174 3.157 1.340 1.00 0.00 C ATOM 928 CG PHE A 61 -3.930 4.345 1.884 1.00 0.00 C ATOM 929 CD1 PHE A 61 -5.157 4.711 1.323 1.00 0.00 C ATOM 930 CD2 PHE A 61 -3.411 5.066 2.967 1.00 0.00 C ATOM 931 CE1 PHE A 61 -5.866 5.799 1.843 1.00 0.00 C ATOM 932 CE2 PHE A 61 -4.119 6.155 3.485 1.00 0.00 C ATOM 933 CZ PHE A 61 -5.347 6.521 2.924 1.00 0.00 C ATOM 0 H PHE A 61 -0.484 2.448 0.369 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.917 3.805 -0.697 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.878 2.388 1.022 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.559 2.721 2.127 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.557 4.154 0.489 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.464 4.781 3.402 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.814 6.082 1.410 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.718 6.713 4.318 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.895 7.361 3.325 1.00 0.00 H new ATOM 943 N VAL A 62 -1.203 5.665 -0.415 1.00 0.00 N ATOM 944 CA VAL A 62 -0.368 6.870 -0.125 1.00 0.00 C ATOM 945 C VAL A 62 -1.229 8.127 -0.228 1.00 0.00 C ATOM 946 O VAL A 62 -2.266 8.132 -0.862 1.00 0.00 O ATOM 947 CB VAL A 62 0.799 6.926 -1.132 1.00 0.00 C ATOM 948 CG1 VAL A 62 0.667 5.778 -2.132 1.00 0.00 C ATOM 949 CG2 VAL A 62 0.803 8.248 -1.894 1.00 0.00 C ATOM 0 H VAL A 62 -1.546 5.597 -1.373 1.00 0.00 H new ATOM 0 HA VAL A 62 0.036 6.811 0.885 1.00 0.00 H new ATOM 0 HB VAL A 62 1.732 6.838 -0.576 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.492 5.818 -2.843 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.693 4.827 -1.600 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.278 5.869 -2.667 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.636 8.260 -2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.134 8.356 -2.440 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.910 9.073 -1.190 1.00 0.00 H new ATOM 959 N ARG A 63 -0.801 9.198 0.378 1.00 0.00 N ATOM 960 CA ARG A 63 -1.580 10.463 0.306 1.00 0.00 C ATOM 961 C ARG A 63 -1.202 11.200 -0.979 1.00 0.00 C ATOM 962 O ARG A 63 -0.054 11.214 -1.378 1.00 0.00 O ATOM 963 CB ARG A 63 -1.237 11.326 1.515 1.00 0.00 C ATOM 964 CG ARG A 63 -2.150 12.549 1.529 1.00 0.00 C ATOM 965 CD ARG A 63 -2.177 13.163 2.927 1.00 0.00 C ATOM 966 NE ARG A 63 -1.939 14.635 2.832 1.00 0.00 N ATOM 967 CZ ARG A 63 -0.879 15.120 2.242 1.00 0.00 C ATOM 968 NH1 ARG A 63 0.046 14.317 1.791 1.00 0.00 N ATOM 969 NH2 ARG A 63 -0.736 16.410 2.119 1.00 0.00 N ATOM 0 H ARG A 63 0.060 9.251 0.923 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.649 10.251 0.305 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.362 10.753 2.434 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.193 11.636 1.472 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.798 13.285 0.806 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.158 12.264 1.228 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.139 12.970 3.402 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.414 12.701 3.553 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.620 15.277 3.237 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.058 13.308 1.899 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.872 14.699 1.331 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.451 17.039 2.483 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.091 16.790 1.659 1.00 0.00 H new ATOM 983 N PHE A 64 -2.159 11.799 -1.637 1.00 0.00 N ATOM 984 CA PHE A 64 -1.858 12.517 -2.907 1.00 0.00 C ATOM 985 C PHE A 64 -2.313 13.975 -2.811 1.00 0.00 C ATOM 986 O PHE A 64 -3.194 14.316 -2.047 1.00 0.00 O ATOM 987 CB PHE A 64 -2.598 11.839 -4.057 1.00 0.00 C ATOM 988 CG PHE A 64 -1.972 10.496 -4.343 1.00 0.00 C ATOM 989 CD1 PHE A 64 -0.784 10.420 -5.079 1.00 0.00 C ATOM 990 CD2 PHE A 64 -2.581 9.325 -3.874 1.00 0.00 C ATOM 991 CE1 PHE A 64 -0.204 9.174 -5.345 1.00 0.00 C ATOM 992 CE2 PHE A 64 -2.000 8.079 -4.140 1.00 0.00 C ATOM 993 CZ PHE A 64 -0.811 8.003 -4.876 1.00 0.00 C ATOM 0 H PHE A 64 -3.137 11.821 -1.348 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.783 12.488 -3.084 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.650 11.714 -3.801 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.559 12.466 -4.948 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.315 11.323 -5.442 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.499 9.383 -3.307 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.713 9.116 -5.913 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.469 7.176 -3.777 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.363 7.042 -5.082 1.00 0.00 H new ATOM 1003 N THR A 65 -1.720 14.829 -3.594 1.00 0.00 N ATOM 1004 CA THR A 65 -2.115 16.265 -3.570 1.00 0.00 C ATOM 1005 C THR A 65 -3.428 16.426 -4.338 1.00 0.00 C ATOM 1006 O THR A 65 -3.601 15.878 -5.409 1.00 0.00 O ATOM 1007 CB THR A 65 -1.024 17.109 -4.235 1.00 0.00 C ATOM 1008 OG1 THR A 65 -1.416 18.474 -4.231 1.00 0.00 O ATOM 1009 CG2 THR A 65 -0.821 16.638 -5.676 1.00 0.00 C ATOM 0 H THR A 65 -0.976 14.595 -4.252 1.00 0.00 H new ATOM 0 HA THR A 65 -2.244 16.598 -2.540 1.00 0.00 H new ATOM 0 HB THR A 65 -0.090 16.998 -3.684 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.718 19.016 -4.655 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.044 17.239 -6.149 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.520 15.590 -5.677 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.753 16.749 -6.230 1.00 0.00 H new ATOM 1017 N THR A 66 -4.354 17.169 -3.795 1.00 0.00 N ATOM 1018 CA THR A 66 -5.660 17.364 -4.488 1.00 0.00 C ATOM 1019 C THR A 66 -5.757 18.802 -4.999 1.00 0.00 C ATOM 1020 O THR A 66 -6.806 19.414 -4.967 1.00 0.00 O ATOM 1021 CB THR A 66 -6.801 17.096 -3.503 1.00 0.00 C ATOM 1022 OG1 THR A 66 -6.447 16.012 -2.656 1.00 0.00 O ATOM 1023 CG2 THR A 66 -8.074 16.749 -4.276 1.00 0.00 C ATOM 0 H THR A 66 -4.262 17.650 -2.900 1.00 0.00 H new ATOM 0 HA THR A 66 -5.733 16.674 -5.329 1.00 0.00 H new ATOM 0 HB THR A 66 -6.978 17.986 -2.899 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.777 16.310 -2.006 1.00 0.00 H new ATOM 0 HG21 THR A 66 -8.886 16.558 -3.574 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.344 17.582 -4.925 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.901 15.859 -4.881 1.00 0.00 H new ATOM 1134 N SER A 74 -6.053 16.976 1.487 1.00 0.00 N ATOM 1135 CA SER A 74 -5.250 16.017 0.678 1.00 0.00 C ATOM 1136 C SER A 74 -6.168 14.925 0.123 1.00 0.00 C ATOM 1137 O SER A 74 -7.322 14.831 0.488 1.00 0.00 O ATOM 1138 CB SER A 74 -4.174 15.382 1.559 1.00 0.00 C ATOM 1139 OG SER A 74 -2.981 15.234 0.802 1.00 0.00 O ATOM 0 HA SER A 74 -4.775 16.546 -0.148 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.989 16.005 2.434 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.511 14.412 1.923 1.00 0.00 H new ATOM 0 HG SER A 74 -3.203 14.929 -0.102 1.00 0.00 H new ATOM 1145 N LYS A 75 -5.662 14.097 -0.753 1.00 0.00 N ATOM 1146 CA LYS A 75 -6.505 13.011 -1.326 1.00 0.00 C ATOM 1147 C LYS A 75 -6.092 11.673 -0.712 1.00 0.00 C ATOM 1148 O LYS A 75 -4.979 11.509 -0.251 1.00 0.00 O ATOM 1149 CB LYS A 75 -6.316 12.959 -2.843 1.00 0.00 C ATOM 1150 CG LYS A 75 -7.599 13.429 -3.532 1.00 0.00 C ATOM 1151 CD LYS A 75 -8.664 12.335 -3.430 1.00 0.00 C ATOM 1152 CE LYS A 75 -10.044 12.976 -3.270 1.00 0.00 C ATOM 1153 NZ LYS A 75 -11.085 12.057 -3.811 1.00 0.00 N ATOM 0 H LYS A 75 -4.702 14.127 -1.095 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.553 13.208 -1.102 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.479 13.592 -3.138 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.073 11.943 -3.156 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.959 14.346 -3.066 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.399 13.660 -4.578 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.644 11.709 -4.322 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.453 11.686 -2.580 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.240 13.185 -2.218 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.077 13.930 -3.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.539 12.495 -4.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.643 11.159 -4.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.801 11.875 -3.079 1.00 0.00 H new ATOM 1167 N PHE A 76 -6.981 10.721 -0.694 1.00 0.00 N ATOM 1168 CA PHE A 76 -6.647 9.395 -0.099 1.00 0.00 C ATOM 1169 C PHE A 76 -7.118 8.274 -1.034 1.00 0.00 C ATOM 1170 O PHE A 76 -8.287 8.172 -1.353 1.00 0.00 O ATOM 1171 CB PHE A 76 -7.344 9.273 1.255 1.00 0.00 C ATOM 1172 CG PHE A 76 -6.855 10.370 2.171 1.00 0.00 C ATOM 1173 CD1 PHE A 76 -5.619 10.242 2.816 1.00 0.00 C ATOM 1174 CD2 PHE A 76 -7.637 11.512 2.374 1.00 0.00 C ATOM 1175 CE1 PHE A 76 -5.165 11.259 3.666 1.00 0.00 C ATOM 1176 CE2 PHE A 76 -7.183 12.529 3.223 1.00 0.00 C ATOM 1177 CZ PHE A 76 -5.947 12.403 3.869 1.00 0.00 C ATOM 0 H PHE A 76 -7.927 10.803 -1.066 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.569 9.309 0.035 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.424 9.344 1.128 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -7.139 8.297 1.696 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -5.016 9.360 2.658 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.590 11.609 1.876 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -4.212 11.161 4.165 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -7.786 13.411 3.380 1.00 0.00 H new ATOM 0 HZ PHE A 76 -5.597 13.188 4.523 1.00 0.00 H new ATOM 1187 N ALA A 77 -6.216 7.445 -1.495 1.00 0.00 N ATOM 1188 CA ALA A 77 -6.624 6.355 -2.428 1.00 0.00 C ATOM 1189 C ALA A 77 -5.811 5.086 -2.162 1.00 0.00 C ATOM 1190 O ALA A 77 -4.816 5.104 -1.465 1.00 0.00 O ATOM 1191 CB ALA A 77 -6.386 6.811 -3.869 1.00 0.00 C ATOM 0 H ALA A 77 -5.222 7.476 -1.267 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.680 6.136 -2.271 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.683 6.018 -4.555 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.977 7.705 -4.070 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.329 7.036 -4.010 1.00 0.00 H new ATOM 1197 N LEU A 78 -6.236 3.987 -2.724 1.00 0.00 N ATOM 1198 CA LEU A 78 -5.508 2.700 -2.528 1.00 0.00 C ATOM 1199 C LEU A 78 -5.073 2.164 -3.893 1.00 0.00 C ATOM 1200 O LEU A 78 -5.665 2.478 -4.907 1.00 0.00 O ATOM 1201 CB LEU A 78 -6.444 1.694 -1.847 1.00 0.00 C ATOM 1202 CG LEU A 78 -5.781 0.316 -1.791 1.00 0.00 C ATOM 1203 CD1 LEU A 78 -6.094 -0.345 -0.448 1.00 0.00 C ATOM 1204 CD2 LEU A 78 -6.324 -0.559 -2.924 1.00 0.00 C ATOM 0 H LEU A 78 -7.064 3.925 -3.316 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.629 2.855 -1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.683 2.033 -0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.385 1.632 -2.394 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.702 0.428 -1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.622 -1.327 -0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.710 0.276 0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.173 -0.456 -0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.852 -1.541 -2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.403 -0.671 -2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.105 -0.090 -3.883 1.00 0.00 H new ATOM 1216 N ILE A 79 -4.046 1.359 -3.932 1.00 0.00 N ATOM 1217 CA ILE A 79 -3.577 0.807 -5.235 1.00 0.00 C ATOM 1218 C ILE A 79 -3.308 -0.690 -5.075 1.00 0.00 C ATOM 1219 O ILE A 79 -2.835 -1.136 -4.050 1.00 0.00 O ATOM 1220 CB ILE A 79 -2.294 1.528 -5.653 1.00 0.00 C ATOM 1221 CG1 ILE A 79 -2.643 2.952 -6.098 1.00 0.00 C ATOM 1222 CG2 ILE A 79 -1.626 0.778 -6.809 1.00 0.00 C ATOM 1223 CD1 ILE A 79 -2.995 2.957 -7.586 1.00 0.00 C ATOM 0 H ILE A 79 -3.511 1.060 -3.117 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.337 0.956 -6.001 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.605 1.563 -4.809 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.483 3.330 -5.515 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.800 3.618 -5.912 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.713 1.298 -7.101 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.381 -0.236 -6.492 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.308 0.737 -7.659 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.242 3.972 -7.898 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.143 2.598 -8.163 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.851 2.305 -7.760 1.00 0.00 H new ATOM 1235 N THR A 80 -3.607 -1.470 -6.077 1.00 0.00 N ATOM 1236 CA THR A 80 -3.369 -2.939 -5.975 1.00 0.00 C ATOM 1237 C THR A 80 -2.126 -3.317 -6.784 1.00 0.00 C ATOM 1238 O THR A 80 -2.088 -3.156 -7.987 1.00 0.00 O ATOM 1239 CB THR A 80 -4.582 -3.690 -6.527 1.00 0.00 C ATOM 1240 OG1 THR A 80 -5.772 -3.020 -6.132 1.00 0.00 O ATOM 1241 CG2 THR A 80 -4.594 -5.118 -5.980 1.00 0.00 C ATOM 0 H THR A 80 -4.005 -1.155 -6.961 1.00 0.00 H new ATOM 0 HA THR A 80 -3.216 -3.208 -4.930 1.00 0.00 H new ATOM 0 HB THR A 80 -4.525 -3.721 -7.615 1.00 0.00 H new ATOM 0 HG1 THR A 80 -5.880 -2.204 -6.664 1.00 0.00 H new ATOM 0 HG21 THR A 80 -5.459 -5.651 -6.374 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.682 -5.632 -6.283 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.650 -5.090 -4.892 1.00 0.00 H new ATOM 1249 N TRP A 81 -1.107 -3.818 -6.139 1.00 0.00 N ATOM 1250 CA TRP A 81 0.123 -4.201 -6.890 1.00 0.00 C ATOM 1251 C TRP A 81 0.051 -5.676 -7.277 1.00 0.00 C ATOM 1252 O TRP A 81 0.120 -6.547 -6.435 1.00 0.00 O ATOM 1253 CB TRP A 81 1.364 -3.983 -6.016 1.00 0.00 C ATOM 1254 CG TRP A 81 2.586 -4.294 -6.821 1.00 0.00 C ATOM 1255 CD1 TRP A 81 3.472 -5.272 -6.527 1.00 0.00 C ATOM 1256 CD2 TRP A 81 3.070 -3.655 -8.039 1.00 0.00 C ATOM 1257 NE1 TRP A 81 4.461 -5.285 -7.492 1.00 0.00 N ATOM 1258 CE2 TRP A 81 4.259 -4.307 -8.444 1.00 0.00 C ATOM 1259 CE3 TRP A 81 2.599 -2.589 -8.828 1.00 0.00 C ATOM 1260 CZ2 TRP A 81 4.954 -3.918 -9.588 1.00 0.00 C ATOM 1261 CZ3 TRP A 81 3.300 -2.194 -9.980 1.00 0.00 C ATOM 1262 CH2 TRP A 81 4.474 -2.858 -10.359 1.00 0.00 C ATOM 0 H TRP A 81 -1.073 -3.978 -5.132 1.00 0.00 H new ATOM 0 HA TRP A 81 0.191 -3.582 -7.785 1.00 0.00 H new ATOM 0 HB2 TRP A 81 1.399 -2.953 -5.661 1.00 0.00 H new ATOM 0 HB3 TRP A 81 1.321 -4.622 -5.134 1.00 0.00 H new ATOM 0 HD1 TRP A 81 3.416 -5.935 -5.676 1.00 0.00 H new ATOM 0 HE1 TRP A 81 5.245 -5.938 -7.500 1.00 0.00 H new ATOM 0 HE3 TRP A 81 1.694 -2.072 -8.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.858 -4.434 -9.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 2.931 -1.373 -10.577 1.00 0.00 H new ATOM 0 HH2 TRP A 81 5.007 -2.550 -11.246 1.00 0.00 H new ATOM 1273 N ILE A 82 -0.081 -5.965 -8.543 1.00 0.00 N ATOM 1274 CA ILE A 82 -0.141 -7.388 -8.982 1.00 0.00 C ATOM 1275 C ILE A 82 1.146 -7.724 -9.738 1.00 0.00 C ATOM 1276 O ILE A 82 1.253 -7.508 -10.928 1.00 0.00 O ATOM 1277 CB ILE A 82 -1.345 -7.594 -9.905 1.00 0.00 C ATOM 1278 CG1 ILE A 82 -2.623 -7.139 -9.192 1.00 0.00 C ATOM 1279 CG2 ILE A 82 -1.463 -9.077 -10.258 1.00 0.00 C ATOM 1280 CD1 ILE A 82 -3.180 -8.293 -8.356 1.00 0.00 C ATOM 0 H ILE A 82 -0.150 -5.277 -9.293 1.00 0.00 H new ATOM 0 HA ILE A 82 -0.244 -8.038 -8.113 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.210 -7.009 -10.815 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.410 -6.282 -8.552 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.364 -6.815 -9.923 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.319 -9.228 -10.915 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.555 -9.404 -10.765 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.599 -9.658 -9.346 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -4.089 -7.969 -7.849 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.409 -9.137 -9.007 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.440 -8.596 -7.616 1.00 0.00 H new ATOM 1292 N GLY A 83 2.129 -8.242 -9.053 1.00 0.00 N ATOM 1293 CA GLY A 83 3.414 -8.581 -9.729 1.00 0.00 C ATOM 1294 C GLY A 83 3.138 -9.451 -10.957 1.00 0.00 C ATOM 1295 O GLY A 83 2.104 -10.080 -11.066 1.00 0.00 O ATOM 0 H GLY A 83 2.098 -8.445 -8.054 1.00 0.00 H new ATOM 0 HA2 GLY A 83 3.931 -7.669 -10.027 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.071 -9.109 -9.038 1.00 0.00 H new ATOM 1299 N GLU A 84 4.055 -9.487 -11.886 1.00 0.00 N ATOM 1300 CA GLU A 84 3.845 -10.313 -13.110 1.00 0.00 C ATOM 1301 C GLU A 84 4.541 -11.666 -12.946 1.00 0.00 C ATOM 1302 O GLU A 84 4.813 -12.353 -13.911 1.00 0.00 O ATOM 1303 CB GLU A 84 4.429 -9.583 -14.322 1.00 0.00 C ATOM 1304 CG GLU A 84 3.887 -8.153 -14.367 1.00 0.00 C ATOM 1305 CD GLU A 84 4.593 -7.374 -15.478 1.00 0.00 C ATOM 1306 OE1 GLU A 84 5.143 -8.009 -16.363 1.00 0.00 O ATOM 1307 OE2 GLU A 84 4.572 -6.155 -15.425 1.00 0.00 O ATOM 0 H GLU A 84 4.940 -8.981 -11.850 1.00 0.00 H new ATOM 0 HA GLU A 84 2.777 -10.473 -13.259 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.517 -9.569 -14.262 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.167 -10.111 -15.239 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.812 -8.166 -14.544 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.046 -7.662 -13.407 1.00 0.00 H new ATOM 1314 N ASP A 85 4.828 -12.055 -11.734 1.00 0.00 N ATOM 1315 CA ASP A 85 5.504 -13.365 -11.506 1.00 0.00 C ATOM 1316 C ASP A 85 4.769 -14.125 -10.402 1.00 0.00 C ATOM 1317 O ASP A 85 5.344 -14.936 -9.703 1.00 0.00 O ATOM 1318 CB ASP A 85 6.955 -13.126 -11.084 1.00 0.00 C ATOM 1319 CG ASP A 85 7.714 -14.455 -11.086 1.00 0.00 C ATOM 1320 OD1 ASP A 85 7.221 -15.395 -11.688 1.00 0.00 O ATOM 1321 OD2 ASP A 85 8.775 -14.509 -10.487 1.00 0.00 O ATOM 0 H ASP A 85 4.623 -11.521 -10.889 1.00 0.00 H new ATOM 0 HA ASP A 85 5.488 -13.950 -12.426 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.432 -12.422 -11.766 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.987 -12.679 -10.091 1.00 0.00 H new ATOM 1326 N VAL A 86 3.503 -13.862 -10.235 1.00 0.00 N ATOM 1327 CA VAL A 86 2.728 -14.560 -9.172 1.00 0.00 C ATOM 1328 C VAL A 86 2.091 -15.831 -9.735 1.00 0.00 C ATOM 1329 O VAL A 86 1.938 -15.987 -10.931 1.00 0.00 O ATOM 1330 CB VAL A 86 1.626 -13.631 -8.665 1.00 0.00 C ATOM 1331 CG1 VAL A 86 1.082 -14.158 -7.336 1.00 0.00 C ATOM 1332 CG2 VAL A 86 2.198 -12.227 -8.463 1.00 0.00 C ATOM 0 H VAL A 86 2.971 -13.192 -10.790 1.00 0.00 H new ATOM 0 HA VAL A 86 3.400 -14.827 -8.356 1.00 0.00 H new ATOM 0 HB VAL A 86 0.818 -13.593 -9.396 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.296 -13.494 -6.976 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.674 -15.158 -7.481 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.888 -14.198 -6.603 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.413 -11.563 -8.101 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.006 -12.265 -7.733 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.583 -11.851 -9.411 1.00 0.00 H new ATOM 1342 N SER A 87 1.710 -16.738 -8.877 1.00 0.00 N ATOM 1343 CA SER A 87 1.071 -17.998 -9.350 1.00 0.00 C ATOM 1344 C SER A 87 -0.448 -17.819 -9.342 1.00 0.00 C ATOM 1345 O SER A 87 -0.950 -16.712 -9.325 1.00 0.00 O ATOM 1346 CB SER A 87 1.455 -19.148 -8.420 1.00 0.00 C ATOM 1347 OG SER A 87 1.006 -20.375 -8.979 1.00 0.00 O ATOM 0 H SER A 87 1.814 -16.660 -7.865 1.00 0.00 H new ATOM 0 HA SER A 87 1.410 -18.226 -10.360 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.536 -19.173 -8.281 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.010 -18.999 -7.436 1.00 0.00 H new ATOM 0 HG SER A 87 0.940 -20.286 -9.953 1.00 0.00 H new ATOM 1353 N GLY A 88 -1.189 -18.895 -9.360 1.00 0.00 N ATOM 1354 CA GLY A 88 -2.674 -18.774 -9.356 1.00 0.00 C ATOM 1355 C GLY A 88 -3.181 -18.604 -7.921 1.00 0.00 C ATOM 1356 O GLY A 88 -4.277 -18.136 -7.693 1.00 0.00 O ATOM 0 H GLY A 88 -0.830 -19.850 -9.377 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.979 -17.921 -9.962 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.121 -19.661 -9.806 1.00 0.00 H new ATOM 1360 N LEU A 89 -2.401 -18.989 -6.951 1.00 0.00 N ATOM 1361 CA LEU A 89 -2.856 -18.855 -5.538 1.00 0.00 C ATOM 1362 C LEU A 89 -3.453 -17.463 -5.309 1.00 0.00 C ATOM 1363 O LEU A 89 -4.626 -17.322 -5.026 1.00 0.00 O ATOM 1364 CB LEU A 89 -1.670 -19.059 -4.602 1.00 0.00 C ATOM 1365 CG LEU A 89 -1.930 -20.279 -3.721 1.00 0.00 C ATOM 1366 CD1 LEU A 89 -3.187 -20.051 -2.877 1.00 0.00 C ATOM 1367 CD2 LEU A 89 -2.122 -21.518 -4.600 1.00 0.00 C ATOM 0 H LEU A 89 -1.471 -19.390 -7.074 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.618 -19.608 -5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.756 -19.200 -5.179 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.523 -18.174 -3.984 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.076 -20.432 -3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.368 -20.924 -2.250 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.047 -19.174 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.042 -19.892 -3.534 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.307 -22.387 -3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.972 -21.364 -5.265 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.223 -21.686 -5.193 1.00 0.00 H new ATOM 1379 N GLN A 90 -2.657 -16.436 -5.421 1.00 0.00 N ATOM 1380 CA GLN A 90 -3.180 -15.056 -5.201 1.00 0.00 C ATOM 1381 C GLN A 90 -4.354 -14.782 -6.148 1.00 0.00 C ATOM 1382 O GLN A 90 -5.244 -14.017 -5.833 1.00 0.00 O ATOM 1383 CB GLN A 90 -2.062 -14.044 -5.463 1.00 0.00 C ATOM 1384 CG GLN A 90 -0.774 -14.522 -4.790 1.00 0.00 C ATOM 1385 CD GLN A 90 -1.098 -15.093 -3.408 1.00 0.00 C ATOM 1386 OE1 GLN A 90 -1.862 -14.414 -2.598 1.00 0.00 O flip ATOM 1387 NE2 GLN A 90 -0.651 -16.169 -3.063 1.00 0.00 N flip ATOM 0 H GLN A 90 -1.666 -16.492 -5.656 1.00 0.00 H new ATOM 0 HA GLN A 90 -3.526 -14.963 -4.172 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -1.904 -13.930 -6.535 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.345 -13.065 -5.077 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.291 -15.282 -5.404 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.072 -13.694 -4.697 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.054 -16.700 -3.697 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.873 -16.541 -2.140 1.00 0.00 H new ATOM 1396 N ARG A 91 -4.367 -15.381 -7.307 1.00 0.00 N ATOM 1397 CA ARG A 91 -5.491 -15.122 -8.254 1.00 0.00 C ATOM 1398 C ARG A 91 -6.826 -15.284 -7.524 1.00 0.00 C ATOM 1399 O ARG A 91 -7.620 -14.367 -7.451 1.00 0.00 O ATOM 1400 CB ARG A 91 -5.427 -16.110 -9.424 1.00 0.00 C ATOM 1401 CG ARG A 91 -6.372 -15.654 -10.541 1.00 0.00 C ATOM 1402 CD ARG A 91 -7.466 -16.704 -10.743 1.00 0.00 C ATOM 1403 NE ARG A 91 -6.856 -17.971 -11.235 1.00 0.00 N ATOM 1404 CZ ARG A 91 -7.538 -19.082 -11.194 1.00 0.00 C ATOM 1405 NH1 ARG A 91 -8.754 -19.084 -10.722 1.00 0.00 N ATOM 1406 NH2 ARG A 91 -7.004 -20.193 -11.623 1.00 0.00 N ATOM 0 H ARG A 91 -3.656 -16.033 -7.638 1.00 0.00 H new ATOM 0 HA ARG A 91 -5.406 -14.105 -8.637 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.407 -16.174 -9.802 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -5.705 -17.108 -9.085 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -6.818 -14.693 -10.285 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -5.815 -15.510 -11.467 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -7.992 -16.882 -9.805 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -8.204 -16.342 -11.458 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.905 -17.970 -11.604 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -9.172 -18.217 -10.385 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -9.287 -19.953 -10.690 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.053 -20.193 -11.991 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.538 -21.061 -11.591 1.00 0.00 H new ATOM 1420 N ALA A 92 -7.083 -16.445 -6.985 1.00 0.00 N ATOM 1421 CA ALA A 92 -8.370 -16.664 -6.265 1.00 0.00 C ATOM 1422 C ALA A 92 -8.278 -16.085 -4.851 1.00 0.00 C ATOM 1423 O ALA A 92 -9.213 -15.494 -4.350 1.00 0.00 O ATOM 1424 CB ALA A 92 -8.657 -18.166 -6.182 1.00 0.00 C ATOM 0 H ALA A 92 -6.458 -17.251 -7.012 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.174 -16.166 -6.806 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.598 -18.328 -5.656 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.728 -18.579 -7.188 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.850 -18.661 -5.643 1.00 0.00 H new ATOM 1430 N LYS A 93 -7.156 -16.249 -4.203 1.00 0.00 N ATOM 1431 CA LYS A 93 -7.010 -15.708 -2.822 1.00 0.00 C ATOM 1432 C LYS A 93 -7.200 -14.190 -2.845 1.00 0.00 C ATOM 1433 O LYS A 93 -8.140 -13.665 -2.281 1.00 0.00 O ATOM 1434 CB LYS A 93 -5.613 -16.039 -2.291 1.00 0.00 C ATOM 1435 CG LYS A 93 -5.703 -16.415 -0.811 1.00 0.00 C ATOM 1436 CD LYS A 93 -6.252 -17.836 -0.678 1.00 0.00 C ATOM 1437 CE LYS A 93 -7.263 -17.888 0.470 1.00 0.00 C ATOM 1438 NZ LYS A 93 -6.698 -17.191 1.660 1.00 0.00 N ATOM 0 H LYS A 93 -6.336 -16.733 -4.570 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.762 -16.158 -2.174 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -5.182 -16.863 -2.860 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -4.952 -15.182 -2.419 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -4.719 -16.349 -0.348 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.350 -15.713 -0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.728 -18.142 -1.610 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -5.437 -18.536 -0.491 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -8.197 -17.415 0.168 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -7.495 -18.924 0.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.038 -17.654 2.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.659 -17.236 1.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -7.002 -16.196 1.656 1.00 0.00 H new ATOM 1452 N THR A 94 -6.316 -13.482 -3.490 1.00 0.00 N ATOM 1453 CA THR A 94 -6.445 -11.997 -3.550 1.00 0.00 C ATOM 1454 C THR A 94 -7.893 -11.621 -3.866 1.00 0.00 C ATOM 1455 O THR A 94 -8.451 -10.715 -3.283 1.00 0.00 O ATOM 1456 CB THR A 94 -5.527 -11.454 -4.648 1.00 0.00 C ATOM 1457 OG1 THR A 94 -4.198 -11.899 -4.414 1.00 0.00 O ATOM 1458 CG2 THR A 94 -5.563 -9.926 -4.638 1.00 0.00 C ATOM 0 H THR A 94 -5.508 -13.867 -3.979 1.00 0.00 H new ATOM 0 HA THR A 94 -6.161 -11.568 -2.589 1.00 0.00 H new ATOM 0 HB THR A 94 -5.868 -11.816 -5.618 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.572 -11.342 -4.923 1.00 0.00 H new ATOM 0 HG21 THR A 94 -4.909 -9.542 -5.420 1.00 0.00 H new ATOM 0 HG22 THR A 94 -6.583 -9.585 -4.817 1.00 0.00 H new ATOM 0 HG23 THR A 94 -5.223 -9.560 -3.669 1.00 0.00 H new ATOM 1466 N GLY A 95 -8.501 -12.310 -4.789 1.00 0.00 N ATOM 1467 CA GLY A 95 -9.912 -11.996 -5.154 1.00 0.00 C ATOM 1468 C GLY A 95 -10.749 -11.769 -3.892 1.00 0.00 C ATOM 1469 O GLY A 95 -11.327 -10.719 -3.696 1.00 0.00 O ATOM 0 H GLY A 95 -8.081 -13.080 -5.309 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -9.943 -11.107 -5.784 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -10.335 -12.814 -5.737 1.00 0.00 H new ATOM 1473 N THR A 96 -10.842 -12.755 -3.049 1.00 0.00 N ATOM 1474 CA THR A 96 -11.667 -12.610 -1.816 1.00 0.00 C ATOM 1475 C THR A 96 -11.067 -11.561 -0.871 1.00 0.00 C ATOM 1476 O THR A 96 -11.771 -10.718 -0.350 1.00 0.00 O ATOM 1477 CB THR A 96 -11.734 -13.957 -1.095 1.00 0.00 C ATOM 1478 OG1 THR A 96 -11.797 -15.004 -2.054 1.00 0.00 O ATOM 1479 CG2 THR A 96 -12.978 -14.001 -0.207 1.00 0.00 C ATOM 0 H THR A 96 -10.382 -13.659 -3.159 1.00 0.00 H new ATOM 0 HA THR A 96 -12.666 -12.284 -2.105 1.00 0.00 H new ATOM 0 HB THR A 96 -10.845 -14.083 -0.477 1.00 0.00 H new ATOM 0 HG1 THR A 96 -11.838 -15.868 -1.593 1.00 0.00 H new ATOM 0 HG21 THR A 96 -13.025 -14.961 0.306 1.00 0.00 H new ATOM 0 HG22 THR A 96 -12.928 -13.198 0.529 1.00 0.00 H new ATOM 0 HG23 THR A 96 -13.869 -13.875 -0.822 1.00 0.00 H new ATOM 1487 N ASP A 97 -9.790 -11.621 -0.607 1.00 0.00 N ATOM 1488 CA ASP A 97 -9.181 -10.649 0.345 1.00 0.00 C ATOM 1489 C ASP A 97 -9.167 -9.235 -0.235 1.00 0.00 C ATOM 1490 O ASP A 97 -9.463 -8.280 0.456 1.00 0.00 O ATOM 1491 CB ASP A 97 -7.747 -11.078 0.655 1.00 0.00 C ATOM 1492 CG ASP A 97 -6.774 -9.993 0.187 1.00 0.00 C ATOM 1493 OD1 ASP A 97 -6.823 -8.905 0.738 1.00 0.00 O ATOM 1494 OD2 ASP A 97 -5.999 -10.269 -0.713 1.00 0.00 O ATOM 0 H ASP A 97 -9.143 -12.300 -1.009 1.00 0.00 H new ATOM 0 HA ASP A 97 -9.782 -10.641 1.254 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.631 -11.248 1.725 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -7.523 -12.021 0.157 1.00 0.00 H new ATOM 1499 N LYS A 98 -8.826 -9.071 -1.483 1.00 0.00 N ATOM 1500 CA LYS A 98 -8.807 -7.692 -2.041 1.00 0.00 C ATOM 1501 C LYS A 98 -10.189 -7.067 -1.853 1.00 0.00 C ATOM 1502 O LYS A 98 -10.333 -5.862 -1.772 1.00 0.00 O ATOM 1503 CB LYS A 98 -8.407 -7.719 -3.520 1.00 0.00 C ATOM 1504 CG LYS A 98 -9.500 -8.374 -4.373 1.00 0.00 C ATOM 1505 CD LYS A 98 -10.035 -7.370 -5.400 1.00 0.00 C ATOM 1506 CE LYS A 98 -10.900 -6.324 -4.697 1.00 0.00 C ATOM 1507 NZ LYS A 98 -11.573 -5.469 -5.715 1.00 0.00 N ATOM 0 H LYS A 98 -8.565 -9.816 -2.129 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.068 -7.088 -1.515 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.227 -6.703 -3.870 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.472 -8.267 -3.638 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.099 -9.250 -4.883 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -10.312 -8.721 -3.734 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.206 -6.884 -5.914 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.620 -7.889 -6.159 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -11.644 -6.814 -4.069 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.284 -5.709 -4.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.161 -4.757 -5.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.855 -4.991 -6.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -12.173 -6.061 -6.324 1.00 0.00 H new ATOM 1521 N THR A 99 -11.207 -7.879 -1.758 1.00 0.00 N ATOM 1522 CA THR A 99 -12.575 -7.337 -1.545 1.00 0.00 C ATOM 1523 C THR A 99 -12.747 -7.032 -0.057 1.00 0.00 C ATOM 1524 O THR A 99 -13.593 -6.254 0.339 1.00 0.00 O ATOM 1525 CB THR A 99 -13.615 -8.371 -1.984 1.00 0.00 C ATOM 1526 OG1 THR A 99 -13.439 -8.659 -3.364 1.00 0.00 O ATOM 1527 CG2 THR A 99 -15.020 -7.816 -1.751 1.00 0.00 C ATOM 0 H THR A 99 -11.148 -8.895 -1.819 1.00 0.00 H new ATOM 0 HA THR A 99 -12.714 -6.429 -2.132 1.00 0.00 H new ATOM 0 HB THR A 99 -13.488 -9.284 -1.403 1.00 0.00 H new ATOM 0 HG1 THR A 99 -12.740 -9.338 -3.470 1.00 0.00 H new ATOM 0 HG21 THR A 99 -15.759 -8.553 -2.064 1.00 0.00 H new ATOM 0 HG22 THR A 99 -15.153 -7.596 -0.692 1.00 0.00 H new ATOM 0 HG23 THR A 99 -15.151 -6.902 -2.331 1.00 0.00 H new ATOM 1535 N LEU A 100 -11.940 -7.641 0.771 1.00 0.00 N ATOM 1536 CA LEU A 100 -12.040 -7.393 2.236 1.00 0.00 C ATOM 1537 C LEU A 100 -11.356 -6.066 2.569 1.00 0.00 C ATOM 1538 O LEU A 100 -11.983 -5.129 3.024 1.00 0.00 O ATOM 1539 CB LEU A 100 -11.345 -8.528 2.996 1.00 0.00 C ATOM 1540 CG LEU A 100 -12.231 -9.776 2.980 1.00 0.00 C ATOM 1541 CD1 LEU A 100 -11.470 -10.949 3.600 1.00 0.00 C ATOM 1542 CD2 LEU A 100 -13.505 -9.514 3.789 1.00 0.00 C ATOM 0 H LEU A 100 -11.214 -8.301 0.493 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.089 -7.350 2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.381 -8.749 2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.148 -8.223 4.024 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.498 -10.015 1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -12.100 -11.838 3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.564 -11.139 3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.203 -10.706 4.629 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -14.134 -10.404 3.776 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -13.239 -9.273 4.818 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -14.050 -8.678 3.349 1.00 0.00 H new ATOM 1554 N VAL A 101 -10.070 -5.979 2.352 1.00 0.00 N ATOM 1555 CA VAL A 101 -9.343 -4.716 2.663 1.00 0.00 C ATOM 1556 C VAL A 101 -10.071 -3.525 2.034 1.00 0.00 C ATOM 1557 O VAL A 101 -10.073 -2.435 2.569 1.00 0.00 O ATOM 1558 CB VAL A 101 -7.924 -4.795 2.095 1.00 0.00 C ATOM 1559 CG1 VAL A 101 -7.974 -4.651 0.574 1.00 0.00 C ATOM 1560 CG2 VAL A 101 -7.076 -3.665 2.685 1.00 0.00 C ATOM 0 H VAL A 101 -9.492 -6.729 1.973 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.303 -4.584 3.744 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.482 -5.757 2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -6.963 -4.707 0.170 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -8.579 -5.454 0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -8.416 -3.689 0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.065 -3.720 2.281 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.519 -2.704 2.425 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.040 -3.766 3.770 1.00 0.00 H new ATOM 1570 N LYS A 102 -10.685 -3.724 0.900 1.00 0.00 N ATOM 1571 CA LYS A 102 -11.407 -2.601 0.239 1.00 0.00 C ATOM 1572 C LYS A 102 -12.720 -2.326 0.975 1.00 0.00 C ATOM 1573 O LYS A 102 -13.095 -1.191 1.189 1.00 0.00 O ATOM 1574 CB LYS A 102 -11.706 -2.976 -1.213 1.00 0.00 C ATOM 1575 CG LYS A 102 -12.048 -1.714 -2.005 1.00 0.00 C ATOM 1576 CD LYS A 102 -13.304 -1.961 -2.847 1.00 0.00 C ATOM 1577 CE LYS A 102 -13.714 -0.664 -3.547 1.00 0.00 C ATOM 1578 NZ LYS A 102 -14.845 -0.036 -2.806 1.00 0.00 N ATOM 0 H LYS A 102 -10.718 -4.614 0.403 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.785 -1.706 0.266 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.844 -3.474 -1.656 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.537 -3.680 -1.254 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.213 -0.879 -1.324 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.213 -1.440 -2.650 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -13.112 -2.740 -3.585 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -14.116 -2.316 -2.212 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -12.868 0.022 -3.590 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -14.009 -0.871 -4.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -15.124 0.846 -3.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -15.653 -0.690 -2.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -14.547 0.175 -1.832 1.00 0.00 H new ATOM 1592 N GLU A 103 -13.429 -3.354 1.353 1.00 0.00 N ATOM 1593 CA GLU A 103 -14.723 -3.147 2.063 1.00 0.00 C ATOM 1594 C GLU A 103 -14.476 -2.536 3.445 1.00 0.00 C ATOM 1595 O GLU A 103 -15.217 -1.685 3.896 1.00 0.00 O ATOM 1596 CB GLU A 103 -15.435 -4.492 2.224 1.00 0.00 C ATOM 1597 CG GLU A 103 -16.812 -4.270 2.851 1.00 0.00 C ATOM 1598 CD GLU A 103 -17.670 -5.522 2.656 1.00 0.00 C ATOM 1599 OE1 GLU A 103 -17.517 -6.166 1.631 1.00 0.00 O ATOM 1600 OE2 GLU A 103 -18.466 -5.813 3.533 1.00 0.00 O ATOM 0 H GLU A 103 -13.168 -4.328 1.201 1.00 0.00 H new ATOM 0 HA GLU A 103 -15.343 -2.467 1.479 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -15.540 -4.978 1.254 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -14.841 -5.157 2.851 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -16.708 -4.049 3.913 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -17.297 -3.409 2.392 1.00 0.00 H new ATOM 1607 N VAL A 104 -13.449 -2.964 4.126 1.00 0.00 N ATOM 1608 CA VAL A 104 -13.172 -2.408 5.482 1.00 0.00 C ATOM 1609 C VAL A 104 -12.511 -1.033 5.357 1.00 0.00 C ATOM 1610 O VAL A 104 -12.606 -0.208 6.244 1.00 0.00 O ATOM 1611 CB VAL A 104 -12.241 -3.353 6.242 1.00 0.00 C ATOM 1612 CG1 VAL A 104 -10.902 -3.452 5.508 1.00 0.00 C ATOM 1613 CG2 VAL A 104 -12.007 -2.810 7.653 1.00 0.00 C ATOM 0 H VAL A 104 -12.790 -3.673 3.804 1.00 0.00 H new ATOM 0 HA VAL A 104 -14.112 -2.306 6.025 1.00 0.00 H new ATOM 0 HB VAL A 104 -12.697 -4.341 6.301 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -10.239 -4.126 6.050 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.066 -3.837 4.502 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.446 -2.464 5.449 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -11.343 -3.483 8.196 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.551 -1.822 7.592 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -12.960 -2.738 8.178 1.00 0.00 H new ATOM 1623 N VAL A 105 -11.840 -0.777 4.267 1.00 0.00 N ATOM 1624 CA VAL A 105 -11.175 0.547 4.095 1.00 0.00 C ATOM 1625 C VAL A 105 -12.115 1.656 4.568 1.00 0.00 C ATOM 1626 O VAL A 105 -13.301 1.636 4.306 1.00 0.00 O ATOM 1627 CB VAL A 105 -10.829 0.760 2.620 1.00 0.00 C ATOM 1628 CG1 VAL A 105 -12.023 1.381 1.893 1.00 0.00 C ATOM 1629 CG2 VAL A 105 -9.625 1.700 2.512 1.00 0.00 C ATOM 0 H VAL A 105 -11.723 -1.426 3.489 1.00 0.00 H new ATOM 0 HA VAL A 105 -10.260 0.572 4.687 1.00 0.00 H new ATOM 0 HB VAL A 105 -10.589 -0.200 2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -11.772 1.531 0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -12.882 0.714 1.969 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -12.267 2.341 2.348 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.376 1.853 1.462 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -9.869 2.658 2.971 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -8.771 1.258 3.026 1.00 0.00 H new ATOM 1639 N GLN A 106 -11.590 2.627 5.261 1.00 0.00 N ATOM 1640 CA GLN A 106 -12.445 3.742 5.750 1.00 0.00 C ATOM 1641 C GLN A 106 -11.645 5.044 5.700 1.00 0.00 C ATOM 1642 O GLN A 106 -11.967 6.009 6.364 1.00 0.00 O ATOM 1643 CB GLN A 106 -12.877 3.462 7.191 1.00 0.00 C ATOM 1644 CG GLN A 106 -11.647 3.130 8.039 1.00 0.00 C ATOM 1645 CD GLN A 106 -12.094 2.610 9.407 1.00 0.00 C ATOM 1646 OE1 GLN A 106 -12.075 1.327 9.641 1.00 0.00 O flip ATOM 1647 NE2 GLN A 106 -12.463 3.381 10.270 1.00 0.00 N flip ATOM 0 H GLN A 106 -10.603 2.696 5.510 1.00 0.00 H new ATOM 0 HA GLN A 106 -13.330 3.830 5.120 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -13.392 4.330 7.603 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -13.583 2.632 7.215 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -11.037 2.381 7.535 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -11.026 4.017 8.161 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -12.477 4.384 10.086 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -12.759 3.025 11.179 1.00 0.00 H new ATOM 1656 N ASN A 107 -10.600 5.076 4.918 1.00 0.00 N ATOM 1657 CA ASN A 107 -9.778 6.315 4.829 1.00 0.00 C ATOM 1658 C ASN A 107 -9.286 6.512 3.392 1.00 0.00 C ATOM 1659 O ASN A 107 -8.156 6.891 3.159 1.00 0.00 O ATOM 1660 CB ASN A 107 -8.576 6.196 5.768 1.00 0.00 C ATOM 1661 CG ASN A 107 -8.362 7.523 6.497 1.00 0.00 C ATOM 1662 OD1 ASN A 107 -8.320 8.570 5.879 1.00 0.00 O ATOM 1663 ND2 ASN A 107 -8.224 7.526 7.795 1.00 0.00 N ATOM 0 H ASN A 107 -10.281 4.299 4.339 1.00 0.00 H new ATOM 0 HA ASN A 107 -10.387 7.171 5.119 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -8.743 5.396 6.489 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.683 5.933 5.201 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -8.081 8.406 8.291 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.259 6.648 8.314 1.00 0.00 H new ATOM 1670 N PHE A 108 -10.126 6.264 2.424 1.00 0.00 N ATOM 1671 CA PHE A 108 -9.700 6.446 1.007 1.00 0.00 C ATOM 1672 C PHE A 108 -10.858 7.010 0.185 1.00 0.00 C ATOM 1673 O PHE A 108 -12.011 6.890 0.549 1.00 0.00 O ATOM 1674 CB PHE A 108 -9.250 5.106 0.419 1.00 0.00 C ATOM 1675 CG PHE A 108 -10.441 4.367 -0.146 1.00 0.00 C ATOM 1676 CD1 PHE A 108 -11.652 4.337 0.558 1.00 0.00 C ATOM 1677 CD2 PHE A 108 -10.333 3.716 -1.379 1.00 0.00 C ATOM 1678 CE1 PHE A 108 -12.752 3.655 0.026 1.00 0.00 C ATOM 1679 CE2 PHE A 108 -11.434 3.033 -1.910 1.00 0.00 C ATOM 1680 CZ PHE A 108 -12.644 3.004 -1.208 1.00 0.00 C ATOM 0 H PHE A 108 -11.086 5.944 2.552 1.00 0.00 H new ATOM 0 HA PHE A 108 -8.865 7.146 0.975 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.510 5.272 -0.363 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -8.769 4.504 1.190 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -11.736 4.840 1.510 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -9.400 3.740 -1.922 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -13.686 3.631 0.568 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -11.349 2.529 -2.861 1.00 0.00 H new ATOM 0 HZ PHE A 108 -13.494 2.479 -1.618 1.00 0.00 H new ATOM 1690 N ALA A 109 -10.557 7.630 -0.922 1.00 0.00 N ATOM 1691 CA ALA A 109 -11.634 8.210 -1.769 1.00 0.00 C ATOM 1692 C ALA A 109 -12.041 7.196 -2.841 1.00 0.00 C ATOM 1693 O ALA A 109 -13.190 7.110 -3.224 1.00 0.00 O ATOM 1694 CB ALA A 109 -11.115 9.483 -2.438 1.00 0.00 C ATOM 0 H ALA A 109 -9.609 7.760 -1.277 1.00 0.00 H new ATOM 0 HA ALA A 109 -12.500 8.449 -1.151 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.900 9.913 -3.060 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -10.823 10.203 -1.673 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -10.252 9.242 -3.058 1.00 0.00 H new ATOM 1700 N LYS A 110 -11.105 6.425 -3.325 1.00 0.00 N ATOM 1701 CA LYS A 110 -11.437 5.415 -4.369 1.00 0.00 C ATOM 1702 C LYS A 110 -10.317 4.376 -4.442 1.00 0.00 C ATOM 1703 O LYS A 110 -9.205 4.620 -4.017 1.00 0.00 O ATOM 1704 CB LYS A 110 -11.578 6.110 -5.726 1.00 0.00 C ATOM 1705 CG LYS A 110 -12.003 5.089 -6.781 1.00 0.00 C ATOM 1706 CD LYS A 110 -13.035 5.720 -7.718 1.00 0.00 C ATOM 1707 CE LYS A 110 -12.462 7.005 -8.317 1.00 0.00 C ATOM 1708 NZ LYS A 110 -13.133 8.184 -7.699 1.00 0.00 N ATOM 0 H LYS A 110 -10.125 6.451 -3.042 1.00 0.00 H new ATOM 0 HA LYS A 110 -12.376 4.923 -4.115 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -12.315 6.910 -5.662 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -10.632 6.570 -6.011 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -11.135 4.756 -7.350 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -12.425 4.207 -6.299 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -13.296 5.021 -8.512 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -13.952 5.939 -7.171 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -11.387 7.052 -8.143 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -12.611 7.013 -9.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -13.493 8.810 -8.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -13.925 7.862 -7.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -12.450 8.703 -7.111 1.00 0.00 H new ATOM 1722 N GLU A 111 -10.597 3.219 -4.980 1.00 0.00 N ATOM 1723 CA GLU A 111 -9.545 2.168 -5.076 1.00 0.00 C ATOM 1724 C GLU A 111 -9.043 2.085 -6.516 1.00 0.00 C ATOM 1725 O GLU A 111 -9.763 2.369 -7.453 1.00 0.00 O ATOM 1726 CB GLU A 111 -10.131 0.815 -4.665 1.00 0.00 C ATOM 1727 CG GLU A 111 -11.560 0.692 -5.197 1.00 0.00 C ATOM 1728 CD GLU A 111 -11.778 -0.718 -5.749 1.00 0.00 C ATOM 1729 OE1 GLU A 111 -11.737 -1.652 -4.965 1.00 0.00 O ATOM 1730 OE2 GLU A 111 -11.984 -0.840 -6.946 1.00 0.00 O ATOM 0 H GLU A 111 -11.508 2.957 -5.357 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.718 2.421 -4.413 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.515 0.006 -5.058 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.127 0.720 -3.579 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -12.275 0.897 -4.400 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.733 1.431 -5.979 1.00 0.00 H new ATOM 1737 N PHE A 112 -7.810 1.704 -6.697 1.00 0.00 N ATOM 1738 CA PHE A 112 -7.252 1.610 -8.074 1.00 0.00 C ATOM 1739 C PHE A 112 -6.499 0.289 -8.236 1.00 0.00 C ATOM 1740 O PHE A 112 -6.064 -0.312 -7.274 1.00 0.00 O ATOM 1741 CB PHE A 112 -6.294 2.779 -8.307 1.00 0.00 C ATOM 1742 CG PHE A 112 -7.091 4.042 -8.529 1.00 0.00 C ATOM 1743 CD1 PHE A 112 -7.594 4.337 -9.802 1.00 0.00 C ATOM 1744 CD2 PHE A 112 -7.327 4.916 -7.463 1.00 0.00 C ATOM 1745 CE1 PHE A 112 -8.335 5.507 -10.007 1.00 0.00 C ATOM 1746 CE2 PHE A 112 -8.069 6.086 -7.667 1.00 0.00 C ATOM 1747 CZ PHE A 112 -8.572 6.382 -8.939 1.00 0.00 C ATOM 0 H PHE A 112 -7.163 1.453 -5.949 1.00 0.00 H new ATOM 0 HA PHE A 112 -8.063 1.650 -8.801 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -5.633 2.899 -7.449 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -5.661 2.578 -9.171 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -7.410 3.662 -10.625 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -6.937 4.688 -6.482 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -8.724 5.735 -10.988 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -8.253 6.760 -6.843 1.00 0.00 H new ATOM 0 HZ PHE A 112 -9.143 7.285 -9.097 1.00 0.00 H new ATOM 1757 N VAL A 113 -6.340 -0.160 -9.451 1.00 0.00 N ATOM 1758 CA VAL A 113 -5.612 -1.438 -9.697 1.00 0.00 C ATOM 1759 C VAL A 113 -4.416 -1.156 -10.607 1.00 0.00 C ATOM 1760 O VAL A 113 -4.492 -0.342 -11.505 1.00 0.00 O ATOM 1761 CB VAL A 113 -6.548 -2.439 -10.379 1.00 0.00 C ATOM 1762 CG1 VAL A 113 -5.721 -3.495 -11.113 1.00 0.00 C ATOM 1763 CG2 VAL A 113 -7.421 -3.120 -9.321 1.00 0.00 C ATOM 0 H VAL A 113 -6.685 0.307 -10.290 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.269 -1.857 -8.751 1.00 0.00 H new ATOM 0 HB VAL A 113 -7.182 -1.915 -11.094 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.388 -4.207 -11.598 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -5.098 -3.011 -11.865 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.086 -4.021 -10.400 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -8.089 -3.833 -9.804 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.785 -3.644 -8.607 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.011 -2.368 -8.797 1.00 0.00 H new ATOM 1773 N ILE A 114 -3.311 -1.810 -10.378 1.00 0.00 N ATOM 1774 CA ILE A 114 -2.114 -1.561 -11.232 1.00 0.00 C ATOM 1775 C ILE A 114 -1.436 -2.887 -11.585 1.00 0.00 C ATOM 1776 O ILE A 114 -1.571 -3.874 -10.889 1.00 0.00 O ATOM 1777 CB ILE A 114 -1.128 -0.674 -10.472 1.00 0.00 C ATOM 1778 CG1 ILE A 114 -1.663 0.762 -10.424 1.00 0.00 C ATOM 1779 CG2 ILE A 114 0.227 -0.699 -11.182 1.00 0.00 C ATOM 1780 CD1 ILE A 114 -1.099 1.568 -11.594 1.00 0.00 C ATOM 0 H ILE A 114 -3.184 -2.503 -9.640 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.426 -1.065 -12.151 1.00 0.00 H new ATOM 0 HB ILE A 114 -1.009 -1.046 -9.454 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -2.752 0.755 -10.468 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -1.385 1.231 -9.480 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.932 -0.067 -10.642 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.604 -1.721 -11.211 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.111 -0.326 -12.200 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -1.484 2.587 -11.553 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.011 1.588 -11.531 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -1.400 1.104 -12.534 1.00 0.00 H new ATOM 1792 N SER A 115 -0.697 -2.907 -12.661 1.00 0.00 N ATOM 1793 CA SER A 115 0.012 -4.153 -13.070 1.00 0.00 C ATOM 1794 C SER A 115 1.398 -3.774 -13.598 1.00 0.00 C ATOM 1795 O SER A 115 2.112 -4.588 -14.149 1.00 0.00 O ATOM 1796 CB SER A 115 -0.782 -4.856 -14.171 1.00 0.00 C ATOM 1797 OG SER A 115 -1.716 -3.944 -14.733 1.00 0.00 O ATOM 0 H SER A 115 -0.553 -2.108 -13.278 1.00 0.00 H new ATOM 0 HA SER A 115 0.109 -4.825 -12.217 1.00 0.00 H new ATOM 0 HB2 SER A 115 -0.107 -5.225 -14.943 1.00 0.00 H new ATOM 0 HB3 SER A 115 -1.303 -5.722 -13.763 1.00 0.00 H new ATOM 0 HG SER A 115 -2.225 -4.392 -15.440 1.00 0.00 H new ATOM 1803 N ASP A 116 1.775 -2.537 -13.431 1.00 0.00 N ATOM 1804 CA ASP A 116 3.108 -2.073 -13.916 1.00 0.00 C ATOM 1805 C ASP A 116 3.500 -0.805 -13.153 1.00 0.00 C ATOM 1806 O ASP A 116 2.660 -0.112 -12.621 1.00 0.00 O ATOM 1807 CB ASP A 116 3.038 -1.769 -15.416 1.00 0.00 C ATOM 1808 CG ASP A 116 1.781 -2.405 -16.014 1.00 0.00 C ATOM 1809 OD1 ASP A 116 1.786 -3.609 -16.211 1.00 0.00 O ATOM 1810 OD2 ASP A 116 0.836 -1.676 -16.268 1.00 0.00 O ATOM 0 H ASP A 116 1.212 -1.819 -12.975 1.00 0.00 H new ATOM 0 HA ASP A 116 3.851 -2.852 -13.747 1.00 0.00 H new ATOM 0 HB2 ASP A 116 3.024 -0.691 -15.578 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.926 -2.155 -15.917 1.00 0.00 H new ATOM 1815 N ARG A 117 4.764 -0.500 -13.079 1.00 0.00 N ATOM 1816 CA ARG A 117 5.189 0.721 -12.334 1.00 0.00 C ATOM 1817 C ARG A 117 4.980 1.971 -13.201 1.00 0.00 C ATOM 1818 O ARG A 117 4.950 3.079 -12.705 1.00 0.00 O ATOM 1819 CB ARG A 117 6.669 0.601 -11.967 1.00 0.00 C ATOM 1820 CG ARG A 117 7.496 0.396 -13.238 1.00 0.00 C ATOM 1821 CD ARG A 117 8.984 0.383 -12.883 1.00 0.00 C ATOM 1822 NE ARG A 117 9.278 -0.790 -12.013 1.00 0.00 N ATOM 1823 CZ ARG A 117 10.512 -1.173 -11.830 1.00 0.00 C ATOM 1824 NH1 ARG A 117 11.488 -0.530 -12.408 1.00 0.00 N ATOM 1825 NH2 ARG A 117 10.769 -2.201 -11.068 1.00 0.00 N ATOM 0 H ARG A 117 5.521 -1.040 -13.500 1.00 0.00 H new ATOM 0 HA ARG A 117 4.588 0.812 -11.429 1.00 0.00 H new ATOM 0 HB2 ARG A 117 6.999 1.500 -11.447 1.00 0.00 H new ATOM 0 HB3 ARG A 117 6.819 -0.236 -11.284 1.00 0.00 H new ATOM 0 HG2 ARG A 117 7.218 -0.542 -13.718 1.00 0.00 H new ATOM 0 HG3 ARG A 117 7.289 1.193 -13.952 1.00 0.00 H new ATOM 0 HD2 ARG A 117 9.585 0.335 -13.791 1.00 0.00 H new ATOM 0 HD3 ARG A 117 9.254 1.306 -12.370 1.00 0.00 H new ATOM 0 HE ARG A 117 8.515 -1.294 -11.561 1.00 0.00 H new ATOM 0 HH11 ARG A 117 11.287 0.273 -13.004 1.00 0.00 H new ATOM 0 HH12 ARG A 117 12.452 -0.830 -12.264 1.00 0.00 H new ATOM 0 HH21 ARG A 117 10.006 -2.704 -10.616 1.00 0.00 H new ATOM 0 HH22 ARG A 117 11.733 -2.501 -10.924 1.00 0.00 H new ATOM 1839 N LYS A 118 4.858 1.806 -14.491 1.00 0.00 N ATOM 1840 CA LYS A 118 4.678 2.987 -15.383 1.00 0.00 C ATOM 1841 C LYS A 118 3.373 3.714 -15.050 1.00 0.00 C ATOM 1842 O LYS A 118 3.351 4.918 -14.885 1.00 0.00 O ATOM 1843 CB LYS A 118 4.638 2.519 -16.839 1.00 0.00 C ATOM 1844 CG LYS A 118 6.053 2.169 -17.302 1.00 0.00 C ATOM 1845 CD LYS A 118 5.979 1.200 -18.483 1.00 0.00 C ATOM 1846 CE LYS A 118 7.117 1.498 -19.461 1.00 0.00 C ATOM 1847 NZ LYS A 118 7.226 0.388 -20.450 1.00 0.00 N ATOM 0 H LYS A 118 4.875 0.903 -14.966 1.00 0.00 H new ATOM 0 HA LYS A 118 5.512 3.673 -15.234 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.987 1.650 -16.935 1.00 0.00 H new ATOM 0 HB3 LYS A 118 4.220 3.302 -17.472 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.586 3.074 -17.594 1.00 0.00 H new ATOM 0 HG3 LYS A 118 6.614 1.719 -16.483 1.00 0.00 H new ATOM 0 HD2 LYS A 118 6.050 0.172 -18.128 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.017 1.297 -18.987 1.00 0.00 H new ATOM 0 HE2 LYS A 118 6.931 2.441 -19.976 1.00 0.00 H new ATOM 0 HE3 LYS A 118 8.056 1.610 -18.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 8.000 0.590 -21.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 7.422 -0.503 -19.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 6.332 0.301 -20.975 1.00 0.00 H new ATOM 1861 N GLU A 119 2.285 3.004 -14.968 1.00 0.00 N ATOM 1862 CA GLU A 119 0.987 3.671 -14.666 1.00 0.00 C ATOM 1863 C GLU A 119 0.858 3.925 -13.160 1.00 0.00 C ATOM 1864 O GLU A 119 -0.157 4.387 -12.686 1.00 0.00 O ATOM 1865 CB GLU A 119 -0.174 2.797 -15.150 1.00 0.00 C ATOM 1866 CG GLU A 119 0.329 1.398 -15.516 1.00 0.00 C ATOM 1867 CD GLU A 119 0.897 0.722 -14.273 1.00 0.00 C ATOM 1868 OE1 GLU A 119 1.119 1.414 -13.296 1.00 0.00 O ATOM 1869 OE2 GLU A 119 1.097 -0.480 -14.316 1.00 0.00 O ATOM 0 H GLU A 119 2.236 1.993 -15.096 1.00 0.00 H new ATOM 0 HA GLU A 119 0.955 4.628 -15.187 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -0.933 2.725 -14.371 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -0.648 3.258 -16.016 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -0.486 0.802 -15.927 1.00 0.00 H new ATOM 0 HG3 GLU A 119 1.095 1.466 -16.289 1.00 0.00 H new ATOM 1876 N LEU A 120 1.879 3.633 -12.405 1.00 0.00 N ATOM 1877 CA LEU A 120 1.809 3.871 -10.937 1.00 0.00 C ATOM 1878 C LEU A 120 2.457 5.220 -10.636 1.00 0.00 C ATOM 1879 O LEU A 120 2.805 5.525 -9.513 1.00 0.00 O ATOM 1880 CB LEU A 120 2.560 2.761 -10.197 1.00 0.00 C ATOM 1881 CG LEU A 120 1.759 2.330 -8.968 1.00 0.00 C ATOM 1882 CD1 LEU A 120 2.451 1.143 -8.297 1.00 0.00 C ATOM 1883 CD2 LEU A 120 1.678 3.496 -7.978 1.00 0.00 C ATOM 0 H LEU A 120 2.758 3.240 -12.740 1.00 0.00 H new ATOM 0 HA LEU A 120 0.770 3.872 -10.607 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.715 1.909 -10.859 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.546 3.114 -9.895 1.00 0.00 H new ATOM 0 HG LEU A 120 0.754 2.040 -9.274 1.00 0.00 H new ATOM 0 HD11 LEU A 120 1.879 0.836 -7.421 1.00 0.00 H new ATOM 0 HD12 LEU A 120 2.511 0.312 -9.000 1.00 0.00 H new ATOM 0 HD13 LEU A 120 3.456 1.433 -7.991 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.107 3.190 -7.101 1.00 0.00 H new ATOM 0 HD22 LEU A 120 2.684 3.785 -7.673 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.185 4.344 -8.454 1.00 0.00 H new ATOM 1895 N GLU A 121 2.623 6.027 -11.647 1.00 0.00 N ATOM 1896 CA GLU A 121 3.250 7.361 -11.455 1.00 0.00 C ATOM 1897 C GLU A 121 2.257 8.307 -10.779 1.00 0.00 C ATOM 1898 O GLU A 121 1.058 8.140 -10.876 1.00 0.00 O ATOM 1899 CB GLU A 121 3.639 7.924 -12.821 1.00 0.00 C ATOM 1900 CG GLU A 121 5.010 7.381 -13.228 1.00 0.00 C ATOM 1901 CD GLU A 121 6.102 8.330 -12.734 1.00 0.00 C ATOM 1902 OE1 GLU A 121 6.080 9.484 -13.128 1.00 0.00 O ATOM 1903 OE2 GLU A 121 6.943 7.887 -11.968 1.00 0.00 O ATOM 0 H GLU A 121 2.348 5.816 -12.606 1.00 0.00 H new ATOM 0 HA GLU A 121 4.135 7.264 -10.826 1.00 0.00 H new ATOM 0 HB2 GLU A 121 2.892 7.649 -13.565 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.665 9.013 -12.783 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.159 6.387 -12.806 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.065 7.279 -14.312 1.00 0.00 H new ATOM 1910 N GLU A 122 2.752 9.299 -10.092 1.00 0.00 N ATOM 1911 CA GLU A 122 1.843 10.258 -9.404 1.00 0.00 C ATOM 1912 C GLU A 122 0.866 10.854 -10.420 1.00 0.00 C ATOM 1913 O GLU A 122 -0.326 10.910 -10.190 1.00 0.00 O ATOM 1914 CB GLU A 122 2.666 11.385 -8.774 1.00 0.00 C ATOM 1915 CG GLU A 122 4.050 10.858 -8.391 1.00 0.00 C ATOM 1916 CD GLU A 122 4.563 11.614 -7.164 1.00 0.00 C ATOM 1917 OE1 GLU A 122 4.070 11.349 -6.081 1.00 0.00 O ATOM 1918 OE2 GLU A 122 5.440 12.446 -7.330 1.00 0.00 O ATOM 0 H GLU A 122 3.748 9.487 -9.977 1.00 0.00 H new ATOM 0 HA GLU A 122 1.288 9.733 -8.626 1.00 0.00 H new ATOM 0 HB2 GLU A 122 2.763 12.214 -9.475 1.00 0.00 H new ATOM 0 HB3 GLU A 122 2.156 11.772 -7.892 1.00 0.00 H new ATOM 0 HG2 GLU A 122 3.998 9.790 -8.178 1.00 0.00 H new ATOM 0 HG3 GLU A 122 4.742 10.983 -9.224 1.00 0.00 H new ATOM 1925 N ASP A 123 1.361 11.309 -11.537 1.00 0.00 N ATOM 1926 CA ASP A 123 0.460 11.912 -12.562 1.00 0.00 C ATOM 1927 C ASP A 123 -0.617 10.902 -12.958 1.00 0.00 C ATOM 1928 O ASP A 123 -1.773 11.239 -13.113 1.00 0.00 O ATOM 1929 CB ASP A 123 1.278 12.294 -13.798 1.00 0.00 C ATOM 1930 CG ASP A 123 2.227 11.149 -14.158 1.00 0.00 C ATOM 1931 OD1 ASP A 123 1.740 10.059 -14.405 1.00 0.00 O ATOM 1932 OD2 ASP A 123 3.424 11.382 -14.179 1.00 0.00 O ATOM 0 H ASP A 123 2.350 11.290 -11.786 1.00 0.00 H new ATOM 0 HA ASP A 123 -0.014 12.802 -12.148 1.00 0.00 H new ATOM 0 HB2 ASP A 123 0.613 12.506 -14.635 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.846 13.204 -13.604 1.00 0.00 H new ATOM 1937 N PHE A 124 -0.244 9.664 -13.119 1.00 0.00 N ATOM 1938 CA PHE A 124 -1.242 8.628 -13.501 1.00 0.00 C ATOM 1939 C PHE A 124 -2.313 8.550 -12.427 1.00 0.00 C ATOM 1940 O PHE A 124 -3.498 8.546 -12.696 1.00 0.00 O ATOM 1941 CB PHE A 124 -0.555 7.272 -13.583 1.00 0.00 C ATOM 1942 CG PHE A 124 -1.605 6.198 -13.748 1.00 0.00 C ATOM 1943 CD1 PHE A 124 -2.314 5.739 -12.630 1.00 0.00 C ATOM 1944 CD2 PHE A 124 -1.877 5.667 -15.014 1.00 0.00 C ATOM 1945 CE1 PHE A 124 -3.292 4.752 -12.776 1.00 0.00 C ATOM 1946 CE2 PHE A 124 -2.857 4.675 -15.159 1.00 0.00 C ATOM 1947 CZ PHE A 124 -3.564 4.219 -14.038 1.00 0.00 C ATOM 0 H PHE A 124 0.711 9.324 -13.002 1.00 0.00 H new ATOM 0 HA PHE A 124 -1.683 8.888 -14.463 1.00 0.00 H new ATOM 0 HB2 PHE A 124 0.139 7.252 -14.423 1.00 0.00 H new ATOM 0 HB3 PHE A 124 0.030 7.091 -12.681 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -2.104 6.149 -11.653 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -1.333 6.021 -15.877 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -3.838 4.401 -11.913 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -3.067 4.262 -16.135 1.00 0.00 H new ATOM 0 HZ PHE A 124 -4.319 3.455 -14.150 1.00 0.00 H new ATOM 1957 N ILE A 125 -1.886 8.481 -11.207 1.00 0.00 N ATOM 1958 CA ILE A 125 -2.848 8.391 -10.078 1.00 0.00 C ATOM 1959 C ILE A 125 -3.550 9.739 -9.916 1.00 0.00 C ATOM 1960 O ILE A 125 -4.738 9.806 -9.672 1.00 0.00 O ATOM 1961 CB ILE A 125 -2.108 8.044 -8.777 1.00 0.00 C ATOM 1962 CG1 ILE A 125 -1.065 6.936 -9.021 1.00 0.00 C ATOM 1963 CG2 ILE A 125 -3.120 7.565 -7.733 1.00 0.00 C ATOM 1964 CD1 ILE A 125 -1.680 5.566 -8.724 1.00 0.00 C ATOM 0 H ILE A 125 -0.903 8.483 -10.937 1.00 0.00 H new ATOM 0 HA ILE A 125 -3.578 7.610 -10.288 1.00 0.00 H new ATOM 0 HB ILE A 125 -1.593 8.936 -8.420 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -0.718 6.972 -10.054 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -0.194 7.098 -8.386 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -2.599 7.318 -6.808 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -3.846 8.355 -7.541 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -3.637 6.681 -8.106 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -0.937 4.788 -8.899 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -2.005 5.531 -7.684 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.537 5.402 -9.377 1.00 0.00 H new ATOM 1976 N ARG A 126 -2.828 10.815 -10.058 1.00 0.00 N ATOM 1977 CA ARG A 126 -3.459 12.156 -9.920 1.00 0.00 C ATOM 1978 C ARG A 126 -4.525 12.320 -11.005 1.00 0.00 C ATOM 1979 O ARG A 126 -5.665 12.635 -10.727 1.00 0.00 O ATOM 1980 CB ARG A 126 -2.395 13.243 -10.079 1.00 0.00 C ATOM 1981 CG ARG A 126 -2.905 14.552 -9.474 1.00 0.00 C ATOM 1982 CD ARG A 126 -1.877 15.659 -9.711 1.00 0.00 C ATOM 1983 NE ARG A 126 -1.787 15.949 -11.170 1.00 0.00 N ATOM 1984 CZ ARG A 126 -1.206 17.041 -11.584 1.00 0.00 C ATOM 1985 NH1 ARG A 126 -0.702 17.880 -10.720 1.00 0.00 N ATOM 1986 NH2 ARG A 126 -1.127 17.294 -12.862 1.00 0.00 N ATOM 0 H ARG A 126 -1.829 10.824 -10.264 1.00 0.00 H new ATOM 0 HA ARG A 126 -3.918 12.246 -8.936 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -1.472 12.938 -9.586 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -2.161 13.385 -11.134 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -3.859 14.825 -9.924 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -3.081 14.427 -8.406 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -2.164 16.559 -9.167 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -0.903 15.353 -9.329 1.00 0.00 H new ATOM 0 HE ARG A 126 -2.180 15.293 -11.845 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -0.763 17.682 -9.721 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -0.248 18.734 -11.044 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -1.520 16.638 -13.537 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -0.673 18.148 -13.186 1.00 0.00 H new ATOM 2000 N SER A 127 -4.160 12.110 -12.240 1.00 0.00 N ATOM 2001 CA SER A 127 -5.151 12.253 -13.345 1.00 0.00 C ATOM 2002 C SER A 127 -6.311 11.282 -13.119 1.00 0.00 C ATOM 2003 O SER A 127 -7.358 11.400 -13.722 1.00 0.00 O ATOM 2004 CB SER A 127 -4.475 11.938 -14.679 1.00 0.00 C ATOM 2005 OG SER A 127 -5.061 12.732 -15.702 1.00 0.00 O ATOM 0 H SER A 127 -3.219 11.846 -12.532 1.00 0.00 H new ATOM 0 HA SER A 127 -5.531 13.274 -13.362 1.00 0.00 H new ATOM 0 HB2 SER A 127 -3.406 12.139 -14.614 1.00 0.00 H new ATOM 0 HB3 SER A 127 -4.587 10.880 -14.915 1.00 0.00 H new ATOM 0 HG SER A 127 -4.628 12.533 -16.559 1.00 0.00 H new ATOM 2011 N GLU A 128 -6.135 10.324 -12.251 1.00 0.00 N ATOM 2012 CA GLU A 128 -7.230 9.351 -11.985 1.00 0.00 C ATOM 2013 C GLU A 128 -8.198 9.945 -10.965 1.00 0.00 C ATOM 2014 O GLU A 128 -9.396 9.761 -11.053 1.00 0.00 O ATOM 2015 CB GLU A 128 -6.641 8.049 -11.440 1.00 0.00 C ATOM 2016 CG GLU A 128 -6.811 6.936 -12.477 1.00 0.00 C ATOM 2017 CD GLU A 128 -5.955 7.249 -13.706 1.00 0.00 C ATOM 2018 OE1 GLU A 128 -6.012 8.374 -14.173 1.00 0.00 O ATOM 2019 OE2 GLU A 128 -5.256 6.356 -14.158 1.00 0.00 O ATOM 0 H GLU A 128 -5.280 10.174 -11.715 1.00 0.00 H new ATOM 0 HA GLU A 128 -7.763 9.141 -12.912 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -5.585 8.185 -11.207 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -7.139 7.773 -10.511 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -6.516 5.978 -12.049 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -7.859 6.848 -12.763 1.00 0.00 H new ATOM 2026 N LEU A 129 -7.694 10.663 -10.000 1.00 0.00 N ATOM 2027 CA LEU A 129 -8.598 11.269 -8.988 1.00 0.00 C ATOM 2028 C LEU A 129 -9.415 12.367 -9.660 1.00 0.00 C ATOM 2029 O LEU A 129 -10.594 12.516 -9.407 1.00 0.00 O ATOM 2030 CB LEU A 129 -7.773 11.864 -7.845 1.00 0.00 C ATOM 2031 CG LEU A 129 -6.848 10.791 -7.266 1.00 0.00 C ATOM 2032 CD1 LEU A 129 -5.864 11.437 -6.290 1.00 0.00 C ATOM 2033 CD2 LEU A 129 -7.677 9.737 -6.527 1.00 0.00 C ATOM 0 H LEU A 129 -6.701 10.855 -9.870 1.00 0.00 H new ATOM 0 HA LEU A 129 -9.263 10.507 -8.581 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -7.186 12.707 -8.208 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -8.434 12.247 -7.067 1.00 0.00 H new ATOM 0 HG LEU A 129 -6.299 10.315 -8.078 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -5.205 10.672 -5.878 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -5.269 12.184 -6.815 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -6.415 11.915 -5.481 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -7.014 8.975 -6.116 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -8.230 10.212 -5.717 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -8.378 9.273 -7.221 1.00 0.00 H new ATOM 2045 N LYS A 130 -8.810 13.130 -10.526 1.00 0.00 N ATOM 2046 CA LYS A 130 -9.572 14.201 -11.220 1.00 0.00 C ATOM 2047 C LYS A 130 -10.813 13.580 -11.863 1.00 0.00 C ATOM 2048 O LYS A 130 -11.649 14.265 -12.417 1.00 0.00 O ATOM 2049 CB LYS A 130 -8.691 14.842 -12.296 1.00 0.00 C ATOM 2050 CG LYS A 130 -8.935 14.155 -13.644 1.00 0.00 C ATOM 2051 CD LYS A 130 -7.819 14.534 -14.621 1.00 0.00 C ATOM 2052 CE LYS A 130 -8.434 15.076 -15.913 1.00 0.00 C ATOM 2053 NZ LYS A 130 -9.479 14.133 -16.402 1.00 0.00 N ATOM 0 H LYS A 130 -7.825 13.058 -10.782 1.00 0.00 H new ATOM 0 HA LYS A 130 -9.872 14.970 -10.508 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -8.913 15.906 -12.374 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -7.641 14.755 -12.018 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -8.966 13.073 -13.512 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -9.903 14.455 -14.047 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -7.168 15.285 -14.173 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -7.200 13.664 -14.838 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -8.871 16.059 -15.736 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -7.661 15.203 -16.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -9.454 14.095 -17.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -9.298 13.184 -16.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -10.415 14.460 -16.090 1.00 0.00 H new