USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 518 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 37 GLN : amide:sc= -7.48! C(o=-9.4!,f=-14!) USER MOD Set 1.2: A 41 GLN : amide:sc= -1.9 K(o=-9.4,f=-19!) USER MOD Set 2.1: A 31 MET CE :methyl -175:sc= -1.1 (180deg=-1.19) USER MOD Set 2.2: A 39 CYS SG : rot 107:sc= -1.42 USER MOD Set 3.1: A 26 SER OG : rot -79:sc= -0.103 USER MOD Set 3.2: A 27 THR OG1 : rot 180:sc= 0.00852 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0591 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -56:sc= 1.03 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.228 USER MOD Single : A 15 SER OG : rot 180:sc= -0.0884 USER MOD Single : A 18 GLN : amide:sc= -1.1 K(o=-1.1,f=-4.3!) USER MOD Single : A 19 GLN : amide:sc= -2.37 K(o=-2.4,f=-9.7!) USER MOD Single : A 21 MET CE :methyl -140:sc= -3.46! (180deg=-5.64!) USER MOD Single : A 23 GLN : amide:sc= -0.324 K(o=-0.32,f=-2.7!) USER MOD Single : A 28 GLN : amide:sc= -4.21! K(o=-4.2!,f=-1.6) USER MOD Single : A 29 SER OG : rot 110:sc= -1.72! USER MOD Single : A 32 ASN : amide:sc= -2.31! C(o=-2.3!,f=-4.7!) USER MOD Single : A 36 SER OG : rot 78:sc= -2.09! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.94 X(o=-0.94,f=-1.3) USER MOD Single : A 44 ASN : amide:sc= -0.406 X(o=-0.41,f=-0.32) USER MOD Single : A 47 TYR OH : rot -90:sc= -3.25! USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 40:sc= 0.145 USER MOD Single : A 52 GLN : amide:sc= -0.284 K(o=-0.28,f=-2.4!) USER MOD Single : A 55 THR OG1 : rot -74:sc= -0.034 USER MOD Single : A 56 HIS : no HE2:sc= -2.25! K(o=-2.3!,f=-2.9) USER MOD Single : A 58 LYS NZ :NH3+ -139:sc= -0.0865 (180deg=-0.582) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 151:sc= -0.365 (180deg=-1.78) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 2 22.331 -23.597 6.633 1.00 0.00 N ATOM 2 CA PRO A 2 21.887 -24.050 5.283 1.00 0.00 C ATOM 3 C PRO A 2 21.938 -22.927 4.245 1.00 0.00 C ATOM 4 O PRO A 2 21.015 -22.763 3.448 1.00 0.00 O ATOM 5 CB PRO A 2 20.463 -24.579 5.423 1.00 0.00 C ATOM 6 CG PRO A 2 20.106 -24.318 6.850 1.00 0.00 C ATOM 7 CD PRO A 2 21.409 -24.206 7.604 1.00 0.00 C ATOM 0 HA PRO A 2 22.564 -24.826 4.925 1.00 0.00 H new ATOM 0 HB2 PRO A 2 19.781 -24.068 4.743 1.00 0.00 H new ATOM 0 HB3 PRO A 2 20.410 -25.642 5.188 1.00 0.00 H new ATOM 0 HG2 PRO A 2 19.524 -23.401 6.943 1.00 0.00 H new ATOM 0 HG3 PRO A 2 19.494 -25.126 7.251 1.00 0.00 H new ATOM 0 HD2 PRO A 2 21.302 -23.588 8.495 1.00 0.00 H new ATOM 0 HD3 PRO A 2 21.764 -25.182 7.934 1.00 0.00 H new ATOM 17 N ALA A 3 23.022 -22.159 4.265 1.00 0.00 N ATOM 18 CA ALA A 3 23.194 -21.054 3.328 1.00 0.00 C ATOM 19 C ALA A 3 22.227 -19.915 3.639 1.00 0.00 C ATOM 20 O ALA A 3 21.095 -19.901 3.157 1.00 0.00 O ATOM 21 CB ALA A 3 22.999 -21.539 1.900 1.00 0.00 C ATOM 0 H ALA A 3 23.795 -22.281 4.920 1.00 0.00 H new ATOM 0 HA ALA A 3 24.210 -20.673 3.435 1.00 0.00 H new ATOM 0 HB1 ALA A 3 23.130 -20.704 1.211 1.00 0.00 H new ATOM 0 HB2 ALA A 3 23.732 -22.314 1.675 1.00 0.00 H new ATOM 0 HB3 ALA A 3 21.995 -21.947 1.788 1.00 0.00 H new ATOM 27 N PRO A 4 22.662 -18.940 4.458 1.00 0.00 N ATOM 28 CA PRO A 4 21.834 -17.796 4.836 1.00 0.00 C ATOM 29 C PRO A 4 21.862 -16.673 3.801 1.00 0.00 C ATOM 30 O PRO A 4 21.400 -15.563 4.068 1.00 0.00 O ATOM 31 CB PRO A 4 22.482 -17.337 6.138 1.00 0.00 C ATOM 32 CG PRO A 4 23.929 -17.659 5.968 1.00 0.00 C ATOM 33 CD PRO A 4 23.997 -18.881 5.084 1.00 0.00 C ATOM 0 HA PRO A 4 20.780 -18.061 4.922 1.00 0.00 H new ATOM 0 HB2 PRO A 4 22.329 -16.270 6.303 1.00 0.00 H new ATOM 0 HB3 PRO A 4 22.058 -17.856 6.997 1.00 0.00 H new ATOM 0 HG2 PRO A 4 24.462 -16.823 5.515 1.00 0.00 H new ATOM 0 HG3 PRO A 4 24.399 -17.852 6.932 1.00 0.00 H new ATOM 0 HD2 PRO A 4 24.785 -18.790 4.337 1.00 0.00 H new ATOM 0 HD3 PRO A 4 24.208 -19.781 5.662 1.00 0.00 H new ATOM 41 N THR A 5 22.408 -16.961 2.621 1.00 0.00 N ATOM 42 CA THR A 5 22.491 -15.966 1.558 1.00 0.00 C ATOM 43 C THR A 5 21.186 -15.902 0.767 1.00 0.00 C ATOM 44 O THR A 5 20.576 -14.840 0.645 1.00 0.00 O ATOM 45 CB THR A 5 23.655 -16.286 0.620 1.00 0.00 C ATOM 46 OG1 THR A 5 24.416 -17.373 1.116 1.00 0.00 O ATOM 47 CG2 THR A 5 24.599 -15.120 0.418 1.00 0.00 C ATOM 0 H THR A 5 22.798 -17.872 2.379 1.00 0.00 H new ATOM 0 HA THR A 5 22.663 -14.993 2.019 1.00 0.00 H new ATOM 0 HB THR A 5 23.195 -16.531 -0.337 1.00 0.00 H new ATOM 0 HG1 THR A 5 25.155 -17.563 0.501 1.00 0.00 H new ATOM 0 HG21 THR A 5 25.402 -15.415 -0.258 1.00 0.00 H new ATOM 0 HG22 THR A 5 24.053 -14.280 -0.011 1.00 0.00 H new ATOM 0 HG23 THR A 5 25.023 -14.825 1.378 1.00 0.00 H new ATOM 55 N PRO A 6 20.739 -17.044 0.216 1.00 0.00 N ATOM 56 CA PRO A 6 19.501 -17.111 -0.565 1.00 0.00 C ATOM 57 C PRO A 6 18.330 -16.440 0.146 1.00 0.00 C ATOM 58 O PRO A 6 17.372 -16.004 -0.491 1.00 0.00 O ATOM 59 CB PRO A 6 19.254 -18.613 -0.704 1.00 0.00 C ATOM 60 CG PRO A 6 20.609 -19.227 -0.623 1.00 0.00 C ATOM 61 CD PRO A 6 21.404 -18.357 0.313 1.00 0.00 C ATOM 0 HA PRO A 6 19.590 -16.589 -1.518 1.00 0.00 H new ATOM 0 HB2 PRO A 6 18.604 -18.983 0.089 1.00 0.00 H new ATOM 0 HB3 PRO A 6 18.768 -18.849 -1.651 1.00 0.00 H new ATOM 0 HG2 PRO A 6 20.552 -20.250 -0.251 1.00 0.00 H new ATOM 0 HG3 PRO A 6 21.077 -19.271 -1.607 1.00 0.00 H new ATOM 0 HD2 PRO A 6 21.384 -18.742 1.332 1.00 0.00 H new ATOM 0 HD3 PRO A 6 22.451 -18.299 0.015 1.00 0.00 H new ATOM 69 N SER A 7 18.415 -16.361 1.469 1.00 0.00 N ATOM 70 CA SER A 7 17.363 -15.743 2.267 1.00 0.00 C ATOM 71 C SER A 7 17.400 -14.224 2.134 1.00 0.00 C ATOM 72 O SER A 7 16.366 -13.582 1.950 1.00 0.00 O ATOM 73 CB SER A 7 17.508 -16.141 3.737 1.00 0.00 C ATOM 74 OG SER A 7 16.329 -16.766 4.216 1.00 0.00 O ATOM 0 H SER A 7 19.202 -16.717 2.012 1.00 0.00 H new ATOM 0 HA SER A 7 16.403 -16.099 1.894 1.00 0.00 H new ATOM 0 HB2 SER A 7 18.354 -16.818 3.852 1.00 0.00 H new ATOM 0 HB3 SER A 7 17.724 -15.257 4.337 1.00 0.00 H new ATOM 0 HG SER A 7 16.448 -17.012 5.157 1.00 0.00 H new ATOM 80 N SER A 8 18.598 -13.657 2.229 1.00 0.00 N ATOM 81 CA SER A 8 18.770 -12.212 2.119 1.00 0.00 C ATOM 82 C SER A 8 20.021 -11.873 1.316 1.00 0.00 C ATOM 83 O SER A 8 21.013 -11.392 1.866 1.00 0.00 O ATOM 84 CB SER A 8 18.855 -11.580 3.510 1.00 0.00 C ATOM 85 OG SER A 8 18.159 -10.347 3.553 1.00 0.00 O ATOM 0 H SER A 8 19.463 -14.175 2.382 1.00 0.00 H new ATOM 0 HA SER A 8 17.904 -11.807 1.596 1.00 0.00 H new ATOM 0 HB2 SER A 8 18.437 -12.263 4.249 1.00 0.00 H new ATOM 0 HB3 SER A 8 19.900 -11.421 3.777 1.00 0.00 H new ATOM 0 HG SER A 8 18.227 -9.964 4.453 1.00 0.00 H new ATOM 91 N SER A 9 19.969 -12.128 0.013 1.00 0.00 N ATOM 92 CA SER A 9 21.099 -11.850 -0.866 1.00 0.00 C ATOM 93 C SER A 9 21.020 -10.430 -1.422 1.00 0.00 C ATOM 94 O SER A 9 21.981 -9.667 -1.336 1.00 0.00 O ATOM 95 CB SER A 9 21.138 -12.859 -2.016 1.00 0.00 C ATOM 96 OG SER A 9 20.250 -13.938 -1.778 1.00 0.00 O ATOM 0 H SER A 9 19.157 -12.527 -0.458 1.00 0.00 H new ATOM 0 HA SER A 9 22.014 -11.941 -0.280 1.00 0.00 H new ATOM 0 HB2 SER A 9 20.870 -12.363 -2.949 1.00 0.00 H new ATOM 0 HB3 SER A 9 22.153 -13.239 -2.137 1.00 0.00 H new ATOM 0 HG SER A 9 20.464 -14.354 -0.917 1.00 0.00 H new ATOM 102 N PRO A 10 19.867 -10.057 -2.004 1.00 0.00 N ATOM 103 CA PRO A 10 19.667 -8.721 -2.576 1.00 0.00 C ATOM 104 C PRO A 10 20.026 -7.611 -1.592 1.00 0.00 C ATOM 105 O PRO A 10 19.948 -7.796 -0.378 1.00 0.00 O ATOM 106 CB PRO A 10 18.171 -8.690 -2.894 1.00 0.00 C ATOM 107 CG PRO A 10 17.796 -10.118 -3.086 1.00 0.00 C ATOM 108 CD PRO A 10 18.669 -10.906 -2.149 1.00 0.00 C ATOM 0 HA PRO A 10 20.304 -8.550 -3.444 1.00 0.00 H new ATOM 0 HB2 PRO A 10 17.603 -8.237 -2.082 1.00 0.00 H new ATOM 0 HB3 PRO A 10 17.969 -8.103 -3.790 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.741 -10.278 -2.863 1.00 0.00 H new ATOM 0 HG3 PRO A 10 17.954 -10.427 -4.119 1.00 0.00 H new ATOM 0 HD2 PRO A 10 18.179 -11.076 -1.191 1.00 0.00 H new ATOM 0 HD3 PRO A 10 18.917 -11.885 -2.559 1.00 0.00 H new ATOM 116 N VAL A 11 20.418 -6.459 -2.126 1.00 0.00 N ATOM 117 CA VAL A 11 20.789 -5.320 -1.296 1.00 0.00 C ATOM 118 C VAL A 11 19.722 -4.230 -1.351 1.00 0.00 C ATOM 119 O VAL A 11 19.928 -3.178 -1.958 1.00 0.00 O ATOM 120 CB VAL A 11 22.140 -4.722 -1.731 1.00 0.00 C ATOM 121 CG1 VAL A 11 22.703 -3.822 -0.642 1.00 0.00 C ATOM 122 CG2 VAL A 11 23.124 -5.827 -2.082 1.00 0.00 C ATOM 0 H VAL A 11 20.487 -6.290 -3.130 1.00 0.00 H new ATOM 0 HA VAL A 11 20.877 -5.689 -0.274 1.00 0.00 H new ATOM 0 HB VAL A 11 21.977 -4.115 -2.622 1.00 0.00 H new ATOM 0 HG11 VAL A 11 23.658 -3.409 -0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 11 22.004 -3.009 -0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 11 22.851 -4.402 0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 11 24.073 -5.386 -2.387 1.00 0.00 H new ATOM 0 HG22 VAL A 11 23.283 -6.463 -1.211 1.00 0.00 H new ATOM 0 HG23 VAL A 11 22.723 -6.425 -2.900 1.00 0.00 H new ATOM 132 N PRO A 12 18.562 -4.466 -0.714 1.00 0.00 N ATOM 133 CA PRO A 12 17.461 -3.498 -0.694 1.00 0.00 C ATOM 134 C PRO A 12 17.783 -2.272 0.154 1.00 0.00 C ATOM 135 O PRO A 12 18.398 -2.382 1.215 1.00 0.00 O ATOM 136 CB PRO A 12 16.305 -4.287 -0.075 1.00 0.00 C ATOM 137 CG PRO A 12 16.963 -5.335 0.754 1.00 0.00 C ATOM 138 CD PRO A 12 18.234 -5.694 0.035 1.00 0.00 C ATOM 0 HA PRO A 12 17.244 -3.108 -1.688 1.00 0.00 H new ATOM 0 HB2 PRO A 12 15.667 -3.644 0.532 1.00 0.00 H new ATOM 0 HB3 PRO A 12 15.672 -4.730 -0.844 1.00 0.00 H new ATOM 0 HG2 PRO A 12 17.173 -4.964 1.757 1.00 0.00 H new ATOM 0 HG3 PRO A 12 16.318 -6.207 0.865 1.00 0.00 H new ATOM 0 HD2 PRO A 12 19.028 -5.963 0.732 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.092 -6.545 -0.631 1.00 0.00 H new ATOM 146 N THR A 13 17.363 -1.104 -0.321 1.00 0.00 N ATOM 147 CA THR A 13 17.607 0.144 0.394 1.00 0.00 C ATOM 148 C THR A 13 16.293 0.818 0.775 1.00 0.00 C ATOM 149 O THR A 13 15.234 0.482 0.245 1.00 0.00 O ATOM 150 CB THR A 13 18.449 1.090 -0.464 1.00 0.00 C ATOM 151 OG1 THR A 13 18.596 2.347 0.174 1.00 0.00 O ATOM 152 CG2 THR A 13 17.861 1.338 -1.836 1.00 0.00 C ATOM 0 H THR A 13 16.852 -0.995 -1.197 1.00 0.00 H new ATOM 0 HA THR A 13 18.153 -0.090 1.308 1.00 0.00 H new ATOM 0 HB THR A 13 19.411 0.592 -0.584 1.00 0.00 H new ATOM 0 HG1 THR A 13 19.139 2.938 -0.389 1.00 0.00 H new ATOM 0 HG21 THR A 13 18.508 2.017 -2.392 1.00 0.00 H new ATOM 0 HG22 THR A 13 17.780 0.393 -2.373 1.00 0.00 H new ATOM 0 HG23 THR A 13 16.871 1.783 -1.733 1.00 0.00 H new ATOM 160 N LEU A 14 16.369 1.771 1.699 1.00 0.00 N ATOM 161 CA LEU A 14 15.185 2.492 2.151 1.00 0.00 C ATOM 162 C LEU A 14 15.563 3.567 3.169 1.00 0.00 C ATOM 163 O LEU A 14 16.692 3.610 3.654 1.00 0.00 O ATOM 164 CB LEU A 14 14.170 1.514 2.752 1.00 0.00 C ATOM 165 CG LEU A 14 12.814 2.117 3.141 1.00 0.00 C ATOM 166 CD1 LEU A 14 12.174 2.846 1.969 1.00 0.00 C ATOM 167 CD2 LEU A 14 11.881 1.035 3.646 1.00 0.00 C ATOM 0 H LEU A 14 17.237 2.061 2.149 1.00 0.00 H new ATOM 0 HA LEU A 14 14.729 2.985 1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.998 0.712 2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.612 1.059 3.638 1.00 0.00 H new ATOM 0 HG LEU A 14 12.990 2.841 3.937 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.215 3.261 2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.829 3.653 1.640 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.018 2.147 1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.923 1.478 3.918 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.728 0.292 2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.320 0.555 4.521 1.00 0.00 H new ATOM 179 N SER A 15 14.609 4.437 3.476 1.00 0.00 N ATOM 180 CA SER A 15 14.820 5.527 4.421 1.00 0.00 C ATOM 181 C SER A 15 13.511 5.821 5.144 1.00 0.00 C ATOM 182 O SER A 15 12.565 5.059 5.013 1.00 0.00 O ATOM 183 CB SER A 15 15.320 6.762 3.666 1.00 0.00 C ATOM 184 OG SER A 15 15.891 6.402 2.420 1.00 0.00 O ATOM 0 H SER A 15 13.670 4.408 3.079 1.00 0.00 H new ATOM 0 HA SER A 15 15.571 5.248 5.160 1.00 0.00 H new ATOM 0 HB2 SER A 15 14.493 7.453 3.504 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.060 7.287 4.270 1.00 0.00 H new ATOM 0 HG SER A 15 16.201 7.208 1.957 1.00 0.00 H new ATOM 190 N PRO A 16 13.426 6.915 5.921 1.00 0.00 N ATOM 191 CA PRO A 16 12.197 7.267 6.641 1.00 0.00 C ATOM 192 C PRO A 16 10.970 7.230 5.733 1.00 0.00 C ATOM 193 O PRO A 16 9.848 7.048 6.199 1.00 0.00 O ATOM 194 CB PRO A 16 12.473 8.688 7.131 1.00 0.00 C ATOM 195 CG PRO A 16 13.957 8.753 7.262 1.00 0.00 C ATOM 196 CD PRO A 16 14.507 7.887 6.167 1.00 0.00 C ATOM 0 HA PRO A 16 11.971 6.567 7.445 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.104 9.431 6.424 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.981 8.882 8.084 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.313 9.779 7.164 1.00 0.00 H new ATOM 0 HG3 PRO A 16 14.278 8.396 8.240 1.00 0.00 H new ATOM 0 HD2 PRO A 16 14.736 8.467 5.273 1.00 0.00 H new ATOM 0 HD3 PRO A 16 15.430 7.393 6.471 1.00 0.00 H new ATOM 204 N GLU A 17 11.198 7.383 4.425 1.00 0.00 N ATOM 205 CA GLU A 17 10.140 7.349 3.424 1.00 0.00 C ATOM 206 C GLU A 17 9.131 6.253 3.724 1.00 0.00 C ATOM 207 O GLU A 17 7.950 6.355 3.388 1.00 0.00 O ATOM 208 CB GLU A 17 10.818 7.135 2.049 1.00 0.00 C ATOM 209 CG GLU A 17 10.364 5.919 1.209 1.00 0.00 C ATOM 210 CD GLU A 17 10.385 6.209 -0.280 1.00 0.00 C ATOM 211 OE1 GLU A 17 9.719 7.177 -0.705 1.00 0.00 O ATOM 212 OE2 GLU A 17 11.067 5.469 -1.019 1.00 0.00 O ATOM 0 H GLU A 17 12.128 7.534 4.034 1.00 0.00 H new ATOM 0 HA GLU A 17 9.580 8.284 3.428 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.659 8.033 1.453 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.892 7.047 2.214 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.014 5.070 1.421 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.356 5.630 1.507 1.00 0.00 H new ATOM 219 N GLN A 18 9.629 5.197 4.318 1.00 0.00 N ATOM 220 CA GLN A 18 8.832 4.050 4.634 1.00 0.00 C ATOM 221 C GLN A 18 7.702 4.381 5.565 1.00 0.00 C ATOM 222 O GLN A 18 6.548 4.284 5.207 1.00 0.00 O ATOM 223 CB GLN A 18 9.707 2.975 5.259 1.00 0.00 C ATOM 224 CG GLN A 18 9.167 1.592 5.031 1.00 0.00 C ATOM 225 CD GLN A 18 9.686 0.577 6.030 1.00 0.00 C ATOM 226 OE1 GLN A 18 10.455 -0.319 5.680 1.00 0.00 O ATOM 227 NE2 GLN A 18 9.266 0.711 7.283 1.00 0.00 N ATOM 0 H GLN A 18 10.607 5.114 4.596 1.00 0.00 H new ATOM 0 HA GLN A 18 8.396 3.689 3.703 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.713 3.042 4.844 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.792 3.157 6.330 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.079 1.620 5.084 1.00 0.00 H new ATOM 0 HG3 GLN A 18 9.429 1.268 4.024 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.629 1.468 7.529 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.581 0.057 7.999 1.00 0.00 H new ATOM 236 N GLN A 19 8.040 4.742 6.767 1.00 0.00 N ATOM 237 CA GLN A 19 7.019 5.051 7.753 1.00 0.00 C ATOM 238 C GLN A 19 6.321 6.366 7.450 1.00 0.00 C ATOM 239 O GLN A 19 5.271 6.659 8.020 1.00 0.00 O ATOM 240 CB GLN A 19 7.609 5.069 9.164 1.00 0.00 C ATOM 241 CG GLN A 19 6.750 4.351 10.192 1.00 0.00 C ATOM 242 CD GLN A 19 5.310 4.823 10.181 1.00 0.00 C ATOM 243 OE1 GLN A 19 4.526 4.443 9.311 1.00 0.00 O ATOM 244 NE2 GLN A 19 4.953 5.658 11.150 1.00 0.00 N ATOM 0 H GLN A 19 9.001 4.832 7.097 1.00 0.00 H new ATOM 0 HA GLN A 19 6.270 4.260 7.700 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.596 4.608 9.142 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.748 6.104 9.478 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.778 3.279 9.998 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.172 4.507 11.185 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.635 5.947 11.851 1.00 0.00 H new ATOM 0 HE22 GLN A 19 3.997 6.010 11.193 1.00 0.00 H new ATOM 253 N GLU A 20 6.875 7.145 6.532 1.00 0.00 N ATOM 254 CA GLU A 20 6.253 8.396 6.160 1.00 0.00 C ATOM 255 C GLU A 20 5.097 8.114 5.215 1.00 0.00 C ATOM 256 O GLU A 20 4.133 8.877 5.145 1.00 0.00 O ATOM 257 CB GLU A 20 7.267 9.333 5.499 1.00 0.00 C ATOM 258 CG GLU A 20 7.584 10.566 6.327 1.00 0.00 C ATOM 259 CD GLU A 20 6.757 11.771 5.921 1.00 0.00 C ATOM 260 OE1 GLU A 20 5.513 11.657 5.902 1.00 0.00 O ATOM 261 OE2 GLU A 20 7.353 12.826 5.619 1.00 0.00 O ATOM 0 H GLU A 20 7.743 6.932 6.040 1.00 0.00 H new ATOM 0 HA GLU A 20 5.879 8.890 7.057 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.190 8.783 5.313 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.881 9.646 4.529 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.407 10.347 7.380 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.642 10.805 6.225 1.00 0.00 H new ATOM 268 N MET A 21 5.207 7.010 4.478 1.00 0.00 N ATOM 269 CA MET A 21 4.186 6.624 3.531 1.00 0.00 C ATOM 270 C MET A 21 3.294 5.518 4.067 1.00 0.00 C ATOM 271 O MET A 21 2.099 5.716 4.224 1.00 0.00 O ATOM 272 CB MET A 21 4.866 6.172 2.251 1.00 0.00 C ATOM 273 CG MET A 21 5.382 7.329 1.432 1.00 0.00 C ATOM 274 SD MET A 21 5.482 6.951 -0.326 1.00 0.00 S ATOM 275 CE MET A 21 6.106 8.500 -0.970 1.00 0.00 C ATOM 0 H MET A 21 6.000 6.371 4.526 1.00 0.00 H new ATOM 0 HA MET A 21 3.543 7.484 3.344 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.694 5.508 2.498 1.00 0.00 H new ATOM 0 HB3 MET A 21 4.161 5.594 1.654 1.00 0.00 H new ATOM 0 HG2 MET A 21 4.730 8.190 1.577 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.370 7.613 1.795 1.00 0.00 H new ATOM 0 HE1 MET A 21 5.606 8.731 -1.910 1.00 0.00 H new ATOM 0 HE2 MET A 21 5.914 9.297 -0.251 1.00 0.00 H new ATOM 0 HE3 MET A 21 7.179 8.417 -1.141 1.00 0.00 H new ATOM 285 N LEU A 22 3.889 4.357 4.317 1.00 0.00 N ATOM 286 CA LEU A 22 3.177 3.175 4.812 1.00 0.00 C ATOM 287 C LEU A 22 1.972 3.521 5.689 1.00 0.00 C ATOM 288 O LEU A 22 0.854 3.085 5.416 1.00 0.00 O ATOM 289 CB LEU A 22 4.138 2.286 5.611 1.00 0.00 C ATOM 290 CG LEU A 22 4.281 0.852 5.105 1.00 0.00 C ATOM 291 CD1 LEU A 22 4.964 -0.012 6.152 1.00 0.00 C ATOM 292 CD2 LEU A 22 2.922 0.282 4.738 1.00 0.00 C ATOM 0 H LEU A 22 4.888 4.204 4.182 1.00 0.00 H new ATOM 0 HA LEU A 22 2.800 2.650 3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.123 2.753 5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.801 2.255 6.647 1.00 0.00 H new ATOM 0 HG LEU A 22 4.901 0.858 4.209 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.059 -1.031 5.777 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.954 0.390 6.366 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.369 -0.015 7.065 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.041 -0.740 4.379 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.277 0.285 5.616 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.471 0.891 3.954 1.00 0.00 H new ATOM 304 N GLN A 23 2.207 4.282 6.753 1.00 0.00 N ATOM 305 CA GLN A 23 1.130 4.648 7.665 1.00 0.00 C ATOM 306 C GLN A 23 0.015 5.387 6.944 1.00 0.00 C ATOM 307 O GLN A 23 -1.161 5.061 7.106 1.00 0.00 O ATOM 308 CB GLN A 23 1.654 5.510 8.813 1.00 0.00 C ATOM 309 CG GLN A 23 0.555 5.991 9.751 1.00 0.00 C ATOM 310 CD GLN A 23 0.692 7.459 10.103 1.00 0.00 C ATOM 311 OE1 GLN A 23 1.650 8.120 9.701 1.00 0.00 O ATOM 312 NE2 GLN A 23 -0.268 7.978 10.861 1.00 0.00 N ATOM 0 H GLN A 23 3.123 4.654 7.003 1.00 0.00 H new ATOM 0 HA GLN A 23 0.726 3.720 8.070 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.386 4.938 9.384 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.176 6.374 8.401 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.416 5.822 9.285 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.577 5.398 10.665 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -1.044 7.394 11.172 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.229 8.961 11.132 1.00 0.00 H new ATOM 321 N ALA A 24 0.378 6.391 6.159 1.00 0.00 N ATOM 322 CA ALA A 24 -0.613 7.169 5.437 1.00 0.00 C ATOM 323 C ALA A 24 -1.068 6.461 4.163 1.00 0.00 C ATOM 324 O ALA A 24 -1.949 6.948 3.459 1.00 0.00 O ATOM 325 CB ALA A 24 -0.058 8.547 5.121 1.00 0.00 C ATOM 0 H ALA A 24 1.344 6.683 6.008 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.490 7.277 6.075 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.807 9.125 4.579 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.194 9.059 6.049 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.837 8.447 4.507 1.00 0.00 H new ATOM 331 N PHE A 25 -0.480 5.304 3.872 1.00 0.00 N ATOM 332 CA PHE A 25 -0.840 4.546 2.689 1.00 0.00 C ATOM 333 C PHE A 25 -1.918 3.530 3.027 1.00 0.00 C ATOM 334 O PHE A 25 -2.726 3.162 2.180 1.00 0.00 O ATOM 335 CB PHE A 25 0.392 3.842 2.122 1.00 0.00 C ATOM 336 CG PHE A 25 0.151 3.111 0.826 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.709 2.021 0.762 1.00 0.00 C ATOM 338 CD2 PHE A 25 0.806 3.506 -0.329 1.00 0.00 C ATOM 339 CE1 PHE A 25 -0.909 1.349 -0.429 1.00 0.00 C ATOM 340 CE2 PHE A 25 0.611 2.834 -1.518 1.00 0.00 C ATOM 341 CZ PHE A 25 -0.249 1.756 -1.565 1.00 0.00 C ATOM 0 H PHE A 25 0.248 4.875 4.443 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.229 5.231 1.936 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.178 4.581 1.967 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.762 3.132 2.862 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.226 1.696 1.652 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.478 4.351 -0.298 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.582 0.506 -0.468 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.130 3.151 -2.410 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.404 1.231 -2.496 1.00 0.00 H new ATOM 351 N SER A 26 -1.926 3.081 4.276 1.00 0.00 N ATOM 352 CA SER A 26 -2.914 2.112 4.723 1.00 0.00 C ATOM 353 C SER A 26 -4.312 2.705 4.598 1.00 0.00 C ATOM 354 O SER A 26 -5.247 2.038 4.155 1.00 0.00 O ATOM 355 CB SER A 26 -2.645 1.702 6.172 1.00 0.00 C ATOM 356 OG SER A 26 -3.258 2.602 7.080 1.00 0.00 O ATOM 0 H SER A 26 -1.262 3.372 4.993 1.00 0.00 H new ATOM 0 HA SER A 26 -2.844 1.224 4.094 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.022 0.694 6.344 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.570 1.675 6.352 1.00 0.00 H new ATOM 0 HG SER A 26 -2.709 3.410 7.160 1.00 0.00 H new ATOM 362 N THR A 27 -4.441 3.970 4.992 1.00 0.00 N ATOM 363 CA THR A 27 -5.722 4.665 4.923 1.00 0.00 C ATOM 364 C THR A 27 -6.178 4.871 3.475 1.00 0.00 C ATOM 365 O THR A 27 -7.342 5.190 3.228 1.00 0.00 O ATOM 366 CB THR A 27 -5.626 6.016 5.633 1.00 0.00 C ATOM 367 OG1 THR A 27 -4.839 5.913 6.806 1.00 0.00 O ATOM 368 CG2 THR A 27 -6.973 6.581 6.031 1.00 0.00 C ATOM 0 H THR A 27 -3.675 4.533 5.362 1.00 0.00 H new ATOM 0 HA THR A 27 -6.463 4.041 5.423 1.00 0.00 H new ATOM 0 HB THR A 27 -5.168 6.689 4.909 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.789 6.788 7.244 1.00 0.00 H new ATOM 0 HG21 THR A 27 -6.832 7.540 6.530 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.586 6.721 5.141 1.00 0.00 H new ATOM 0 HG23 THR A 27 -7.472 5.889 6.710 1.00 0.00 H new ATOM 376 N GLN A 28 -5.261 4.695 2.520 1.00 0.00 N ATOM 377 CA GLN A 28 -5.584 4.871 1.098 1.00 0.00 C ATOM 378 C GLN A 28 -6.935 4.253 0.753 1.00 0.00 C ATOM 379 O GLN A 28 -7.954 4.943 0.731 1.00 0.00 O ATOM 380 CB GLN A 28 -4.507 4.240 0.199 1.00 0.00 C ATOM 381 CG GLN A 28 -3.238 5.070 -0.009 1.00 0.00 C ATOM 382 CD GLN A 28 -3.404 6.554 0.269 1.00 0.00 C ATOM 383 OE1 GLN A 28 -3.383 7.374 -0.648 1.00 0.00 O ATOM 384 NE2 GLN A 28 -3.572 6.904 1.535 1.00 0.00 N ATOM 0 H GLN A 28 -4.293 4.432 2.702 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.623 5.945 0.917 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.223 3.278 0.626 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.949 4.037 -0.777 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.452 4.678 0.637 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.899 4.941 -1.037 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.583 6.191 2.264 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.690 7.887 1.781 1.00 0.00 H new ATOM 393 N SER A 29 -6.939 2.950 0.487 1.00 0.00 N ATOM 394 CA SER A 29 -8.169 2.261 0.150 1.00 0.00 C ATOM 395 C SER A 29 -8.533 1.223 1.208 1.00 0.00 C ATOM 396 O SER A 29 -9.308 0.303 0.946 1.00 0.00 O ATOM 397 CB SER A 29 -8.075 1.607 -1.228 1.00 0.00 C ATOM 398 OG SER A 29 -7.308 2.396 -2.120 1.00 0.00 O ATOM 0 H SER A 29 -6.108 2.358 0.499 1.00 0.00 H new ATOM 0 HA SER A 29 -8.962 3.008 0.122 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.625 0.619 -1.134 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.076 1.464 -1.634 1.00 0.00 H new ATOM 0 HG SER A 29 -6.456 1.948 -2.303 1.00 0.00 H new ATOM 404 N GLY A 30 -7.977 1.381 2.409 1.00 0.00 N ATOM 405 CA GLY A 30 -8.267 0.453 3.488 1.00 0.00 C ATOM 406 C GLY A 30 -7.110 -0.477 3.812 1.00 0.00 C ATOM 407 O GLY A 30 -7.173 -1.233 4.781 1.00 0.00 O ATOM 0 H GLY A 30 -7.333 2.134 2.652 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.531 1.018 4.382 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.139 -0.144 3.220 1.00 0.00 H new ATOM 411 N MET A 31 -6.053 -0.434 3.004 1.00 0.00 N ATOM 412 CA MET A 31 -4.893 -1.293 3.225 1.00 0.00 C ATOM 413 C MET A 31 -4.409 -1.211 4.671 1.00 0.00 C ATOM 414 O MET A 31 -4.751 -0.279 5.400 1.00 0.00 O ATOM 415 CB MET A 31 -3.755 -0.908 2.278 1.00 0.00 C ATOM 416 CG MET A 31 -2.796 -2.050 1.982 1.00 0.00 C ATOM 417 SD MET A 31 -3.626 -3.494 1.293 1.00 0.00 S ATOM 418 CE MET A 31 -2.427 -4.024 0.072 1.00 0.00 C ATOM 0 H MET A 31 -5.976 0.183 2.195 1.00 0.00 H new ATOM 0 HA MET A 31 -5.199 -2.319 3.022 1.00 0.00 H new ATOM 0 HB2 MET A 31 -4.180 -0.549 1.340 1.00 0.00 H new ATOM 0 HB3 MET A 31 -3.196 -0.079 2.713 1.00 0.00 H new ATOM 0 HG2 MET A 31 -2.033 -1.707 1.283 1.00 0.00 H new ATOM 0 HG3 MET A 31 -2.282 -2.335 2.900 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.835 -4.856 -0.501 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.202 -3.196 -0.600 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.513 -4.343 0.574 1.00 0.00 H new ATOM 428 N ASN A 32 -3.603 -2.191 5.074 1.00 0.00 N ATOM 429 CA ASN A 32 -3.059 -2.232 6.428 1.00 0.00 C ATOM 430 C ASN A 32 -1.742 -1.469 6.500 1.00 0.00 C ATOM 431 O ASN A 32 -1.452 -0.634 5.645 1.00 0.00 O ATOM 432 CB ASN A 32 -2.849 -3.669 6.861 1.00 0.00 C ATOM 433 CG ASN A 32 -3.513 -4.005 8.172 1.00 0.00 C ATOM 434 OD1 ASN A 32 -4.395 -3.291 8.649 1.00 0.00 O ATOM 435 ND2 ASN A 32 -3.079 -5.110 8.755 1.00 0.00 N ATOM 0 H ASN A 32 -3.312 -2.968 4.481 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.773 -1.757 7.101 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.234 -4.333 6.087 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.780 -3.862 6.944 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -3.479 -5.408 9.645 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -2.345 -5.664 8.315 1.00 0.00 H new ATOM 442 N LEU A 33 -0.942 -1.764 7.519 1.00 0.00 N ATOM 443 CA LEU A 33 0.348 -1.107 7.688 1.00 0.00 C ATOM 444 C LEU A 33 1.505 -2.052 7.352 1.00 0.00 C ATOM 445 O LEU A 33 2.666 -1.732 7.609 1.00 0.00 O ATOM 446 CB LEU A 33 0.496 -0.594 9.121 1.00 0.00 C ATOM 447 CG LEU A 33 0.855 0.888 9.246 1.00 0.00 C ATOM 448 CD1 LEU A 33 1.980 1.246 8.287 1.00 0.00 C ATOM 449 CD2 LEU A 33 -0.367 1.754 8.984 1.00 0.00 C ATOM 0 H LEU A 33 -1.164 -2.452 8.239 1.00 0.00 H new ATOM 0 HA LEU A 33 0.386 -0.265 6.997 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.439 -0.771 9.652 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.264 -1.182 9.623 1.00 0.00 H new ATOM 0 HG LEU A 33 1.198 1.076 10.263 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.222 2.304 8.389 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.861 0.648 8.520 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.664 1.044 7.264 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.095 2.805 9.077 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.739 1.563 7.977 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.145 1.515 9.710 1.00 0.00 H new ATOM 461 N GLU A 34 1.191 -3.219 6.784 1.00 0.00 N ATOM 462 CA GLU A 34 2.223 -4.193 6.432 1.00 0.00 C ATOM 463 C GLU A 34 2.118 -4.649 4.979 1.00 0.00 C ATOM 464 O GLU A 34 3.127 -4.971 4.352 1.00 0.00 O ATOM 465 CB GLU A 34 2.149 -5.403 7.364 1.00 0.00 C ATOM 466 CG GLU A 34 0.744 -5.961 7.526 1.00 0.00 C ATOM 467 CD GLU A 34 0.603 -6.837 8.755 1.00 0.00 C ATOM 468 OE1 GLU A 34 1.521 -7.643 9.017 1.00 0.00 O ATOM 469 OE2 GLU A 34 -0.423 -6.717 9.454 1.00 0.00 O ATOM 0 H GLU A 34 0.239 -3.509 6.560 1.00 0.00 H new ATOM 0 HA GLU A 34 3.186 -3.697 6.551 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.801 -6.188 6.980 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.534 -5.121 8.344 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.034 -5.136 7.589 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.482 -6.540 6.640 1.00 0.00 H new ATOM 476 N TRP A 35 0.908 -4.651 4.436 1.00 0.00 N ATOM 477 CA TRP A 35 0.711 -5.043 3.043 1.00 0.00 C ATOM 478 C TRP A 35 0.862 -3.818 2.154 1.00 0.00 C ATOM 479 O TRP A 35 1.232 -3.919 0.984 1.00 0.00 O ATOM 480 CB TRP A 35 -0.665 -5.676 2.819 1.00 0.00 C ATOM 481 CG TRP A 35 -1.195 -6.445 3.981 1.00 0.00 C ATOM 482 CD1 TRP A 35 -1.605 -5.966 5.182 1.00 0.00 C ATOM 483 CD2 TRP A 35 -1.385 -7.841 4.027 1.00 0.00 C ATOM 484 NE1 TRP A 35 -2.057 -6.987 5.973 1.00 0.00 N ATOM 485 CE2 TRP A 35 -1.921 -8.159 5.283 1.00 0.00 C ATOM 486 CE3 TRP A 35 -1.149 -8.845 3.117 1.00 0.00 C ATOM 487 CZ2 TRP A 35 -2.226 -9.460 5.647 1.00 0.00 C ATOM 488 CZ3 TRP A 35 -1.455 -10.146 3.475 1.00 0.00 C ATOM 489 CH2 TRP A 35 -1.987 -10.442 4.731 1.00 0.00 C ATOM 0 H TRP A 35 0.055 -4.389 4.931 1.00 0.00 H new ATOM 0 HA TRP A 35 1.463 -5.790 2.791 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.375 -4.888 2.568 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -0.608 -6.340 1.957 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -1.578 -4.926 5.473 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -2.432 -6.890 6.917 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -0.734 -8.623 2.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -2.637 -9.688 6.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.279 -10.946 2.771 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -2.214 -11.468 4.982 1.00 0.00 H new ATOM 500 N SER A 36 0.572 -2.656 2.734 1.00 0.00 N ATOM 501 CA SER A 36 0.667 -1.393 2.031 1.00 0.00 C ATOM 502 C SER A 36 2.129 -1.034 1.752 1.00 0.00 C ATOM 503 O SER A 36 2.429 -0.355 0.770 1.00 0.00 O ATOM 504 CB SER A 36 -0.032 -0.303 2.857 1.00 0.00 C ATOM 505 OG SER A 36 0.743 0.879 2.956 1.00 0.00 O ATOM 0 H SER A 36 0.266 -2.570 3.703 1.00 0.00 H new ATOM 0 HA SER A 36 0.168 -1.476 1.065 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.994 -0.067 2.402 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.238 -0.684 3.857 1.00 0.00 H new ATOM 0 HG SER A 36 0.668 1.390 2.123 1.00 0.00 H new ATOM 511 N GLN A 37 3.037 -1.493 2.614 1.00 0.00 N ATOM 512 CA GLN A 37 4.458 -1.208 2.440 1.00 0.00 C ATOM 513 C GLN A 37 4.991 -1.903 1.185 1.00 0.00 C ATOM 514 O GLN A 37 5.724 -1.304 0.398 1.00 0.00 O ATOM 515 CB GLN A 37 5.245 -1.606 3.710 1.00 0.00 C ATOM 516 CG GLN A 37 6.102 -2.864 3.593 1.00 0.00 C ATOM 517 CD GLN A 37 7.345 -2.653 2.749 1.00 0.00 C ATOM 518 OE1 GLN A 37 7.634 -3.439 1.848 1.00 0.00 O ATOM 519 NE2 GLN A 37 8.091 -1.591 3.040 1.00 0.00 N ATOM 0 H GLN A 37 2.815 -2.059 3.433 1.00 0.00 H new ATOM 0 HA GLN A 37 4.595 -0.136 2.298 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.891 -0.774 3.990 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.535 -1.747 4.525 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.397 -3.191 4.590 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.505 -3.666 3.158 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.814 -0.965 3.796 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.940 -1.403 2.507 1.00 0.00 H new ATOM 528 N LYS A 38 4.609 -3.164 1.001 1.00 0.00 N ATOM 529 CA LYS A 38 5.044 -3.921 -0.166 1.00 0.00 C ATOM 530 C LYS A 38 4.628 -3.195 -1.436 1.00 0.00 C ATOM 531 O LYS A 38 5.348 -3.200 -2.435 1.00 0.00 O ATOM 532 CB LYS A 38 4.452 -5.331 -0.145 1.00 0.00 C ATOM 533 CG LYS A 38 5.496 -6.432 -0.228 1.00 0.00 C ATOM 534 CD LYS A 38 4.965 -7.747 0.318 1.00 0.00 C ATOM 535 CE LYS A 38 4.580 -7.626 1.784 1.00 0.00 C ATOM 536 NZ LYS A 38 3.137 -7.923 2.005 1.00 0.00 N ATOM 0 H LYS A 38 4.004 -3.679 1.641 1.00 0.00 H new ATOM 0 HA LYS A 38 6.130 -4.006 -0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.873 -5.459 0.770 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.758 -5.437 -0.979 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.804 -6.565 -1.265 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.383 -6.136 0.332 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.097 -8.059 -0.263 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.722 -8.523 0.202 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.187 -8.311 2.377 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.801 -6.618 2.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.914 -7.830 3.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.557 -7.254 1.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.931 -8.893 1.693 1.00 0.00 H new ATOM 550 N CYS A 39 3.467 -2.553 -1.380 1.00 0.00 N ATOM 551 CA CYS A 39 2.955 -1.798 -2.512 1.00 0.00 C ATOM 552 C CYS A 39 3.856 -0.604 -2.782 1.00 0.00 C ATOM 553 O CYS A 39 4.081 -0.220 -3.929 1.00 0.00 O ATOM 554 CB CYS A 39 1.531 -1.321 -2.230 1.00 0.00 C ATOM 555 SG CYS A 39 0.280 -2.614 -2.392 1.00 0.00 S ATOM 0 H CYS A 39 2.862 -2.542 -0.559 1.00 0.00 H new ATOM 0 HA CYS A 39 2.940 -2.444 -3.390 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.488 -0.913 -1.220 1.00 0.00 H new ATOM 0 HB3 CYS A 39 1.289 -0.507 -2.914 1.00 0.00 H new ATOM 0 HG CYS A 39 -0.141 -2.961 -1.212 1.00 0.00 H new ATOM 561 N LEU A 40 4.374 -0.028 -1.704 1.00 0.00 N ATOM 562 CA LEU A 40 5.262 1.119 -1.797 1.00 0.00 C ATOM 563 C LEU A 40 6.710 0.692 -1.929 1.00 0.00 C ATOM 564 O LEU A 40 7.610 1.498 -1.780 1.00 0.00 O ATOM 565 CB LEU A 40 5.116 1.992 -0.569 1.00 0.00 C ATOM 566 CG LEU A 40 3.757 2.647 -0.422 1.00 0.00 C ATOM 567 CD1 LEU A 40 3.143 2.299 0.904 1.00 0.00 C ATOM 568 CD2 LEU A 40 3.884 4.142 -0.584 1.00 0.00 C ATOM 0 H LEU A 40 4.191 -0.341 -0.750 1.00 0.00 H new ATOM 0 HA LEU A 40 4.981 1.678 -2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.312 1.387 0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.879 2.770 -0.599 1.00 0.00 H new ATOM 0 HG LEU A 40 3.098 2.270 -1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.168 2.779 0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.023 1.218 0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.791 2.648 1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.903 4.604 -0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.556 4.535 0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.286 4.368 -1.572 1.00 0.00 H new ATOM 580 N GLN A 41 6.936 -0.573 -2.197 1.00 0.00 N ATOM 581 CA GLN A 41 8.294 -1.073 -2.345 1.00 0.00 C ATOM 582 C GLN A 41 8.531 -1.550 -3.774 1.00 0.00 C ATOM 583 O GLN A 41 9.658 -1.519 -4.271 1.00 0.00 O ATOM 584 CB GLN A 41 8.569 -2.198 -1.346 1.00 0.00 C ATOM 585 CG GLN A 41 9.063 -1.707 0.005 1.00 0.00 C ATOM 586 CD GLN A 41 10.151 -2.593 0.579 1.00 0.00 C ATOM 587 OE1 GLN A 41 10.034 -3.101 1.695 1.00 0.00 O ATOM 588 NE2 GLN A 41 11.218 -2.788 -0.187 1.00 0.00 N ATOM 0 H GLN A 41 6.206 -1.275 -2.317 1.00 0.00 H new ATOM 0 HA GLN A 41 8.986 -0.258 -2.134 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.656 -2.775 -1.201 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.310 -2.875 -1.770 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.442 -0.690 -0.097 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.226 -1.666 0.702 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.274 -2.348 -1.105 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.982 -3.378 0.143 1.00 0.00 H new ATOM 597 N ASP A 42 7.457 -1.970 -4.438 1.00 0.00 N ATOM 598 CA ASP A 42 7.539 -2.428 -5.818 1.00 0.00 C ATOM 599 C ASP A 42 7.449 -1.236 -6.765 1.00 0.00 C ATOM 600 O ASP A 42 8.014 -1.249 -7.858 1.00 0.00 O ATOM 601 CB ASP A 42 6.417 -3.423 -6.119 1.00 0.00 C ATOM 602 CG ASP A 42 6.856 -4.863 -5.940 1.00 0.00 C ATOM 603 OD1 ASP A 42 8.004 -5.083 -5.498 1.00 0.00 O ATOM 604 OD2 ASP A 42 6.054 -5.770 -6.242 1.00 0.00 O ATOM 0 H ASP A 42 6.519 -2.002 -4.040 1.00 0.00 H new ATOM 0 HA ASP A 42 8.495 -2.930 -5.964 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.570 -3.220 -5.463 1.00 0.00 H new ATOM 0 HB3 ASP A 42 6.070 -3.276 -7.142 1.00 0.00 H new ATOM 609 N ASN A 43 6.739 -0.202 -6.322 1.00 0.00 N ATOM 610 CA ASN A 43 6.572 1.014 -7.107 1.00 0.00 C ATOM 611 C ASN A 43 7.593 2.078 -6.697 1.00 0.00 C ATOM 612 O ASN A 43 7.722 3.107 -7.360 1.00 0.00 O ATOM 613 CB ASN A 43 5.152 1.559 -6.943 1.00 0.00 C ATOM 614 CG ASN A 43 4.102 0.600 -7.468 1.00 0.00 C ATOM 615 OD1 ASN A 43 3.430 0.879 -8.461 1.00 0.00 O ATOM 616 ND2 ASN A 43 3.955 -0.541 -6.803 1.00 0.00 N ATOM 0 H ASN A 43 6.268 -0.184 -5.417 1.00 0.00 H new ATOM 0 HA ASN A 43 6.740 0.765 -8.155 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.962 1.760 -5.889 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.067 2.510 -7.469 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.264 -1.225 -7.111 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.533 -0.732 -5.985 1.00 0.00 H new ATOM 623 N ASN A 44 8.325 1.819 -5.605 1.00 0.00 N ATOM 624 CA ASN A 44 9.348 2.739 -5.101 1.00 0.00 C ATOM 625 C ASN A 44 8.754 3.821 -4.205 1.00 0.00 C ATOM 626 O ASN A 44 9.272 4.937 -4.152 1.00 0.00 O ATOM 627 CB ASN A 44 10.130 3.386 -6.249 1.00 0.00 C ATOM 628 CG ASN A 44 11.425 4.021 -5.780 1.00 0.00 C ATOM 629 OD1 ASN A 44 11.633 5.224 -5.939 1.00 0.00 O ATOM 630 ND2 ASN A 44 12.303 3.213 -5.198 1.00 0.00 N ATOM 0 H ASN A 44 8.224 0.969 -5.050 1.00 0.00 H new ATOM 0 HA ASN A 44 10.033 2.141 -4.501 1.00 0.00 H new ATOM 0 HB2 ASN A 44 10.351 2.632 -7.005 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.509 4.144 -6.727 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.192 3.583 -4.862 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.089 2.222 -5.087 1.00 0.00 H new ATOM 637 N TRP A 45 7.684 3.491 -3.485 1.00 0.00 N ATOM 638 CA TRP A 45 7.060 4.441 -2.583 1.00 0.00 C ATOM 639 C TRP A 45 6.396 5.581 -3.334 1.00 0.00 C ATOM 640 O TRP A 45 6.528 6.751 -2.973 1.00 0.00 O ATOM 641 CB TRP A 45 8.087 4.923 -1.550 1.00 0.00 C ATOM 642 CG TRP A 45 8.596 3.759 -0.765 1.00 0.00 C ATOM 643 CD1 TRP A 45 9.645 2.950 -1.096 1.00 0.00 C ATOM 644 CD2 TRP A 45 8.042 3.224 0.448 1.00 0.00 C ATOM 645 NE1 TRP A 45 9.744 1.930 -0.191 1.00 0.00 N ATOM 646 CE2 TRP A 45 8.789 2.088 0.766 1.00 0.00 C ATOM 647 CE3 TRP A 45 6.988 3.582 1.299 1.00 0.00 C ATOM 648 CZ2 TRP A 45 8.519 1.314 1.871 1.00 0.00 C ATOM 649 CZ3 TRP A 45 6.723 2.805 2.401 1.00 0.00 C ATOM 650 CH2 TRP A 45 7.486 1.685 2.677 1.00 0.00 C ATOM 0 H TRP A 45 7.236 2.575 -3.512 1.00 0.00 H new ATOM 0 HA TRP A 45 6.255 3.942 -2.044 1.00 0.00 H new ATOM 0 HB2 TRP A 45 8.914 5.425 -2.052 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.630 5.653 -0.882 1.00 0.00 H new ATOM 0 HD1 TRP A 45 10.298 3.094 -1.944 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.425 1.171 -0.227 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.391 4.458 1.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 9.109 0.437 2.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.909 3.072 3.059 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.258 1.092 3.550 1.00 0.00 H new ATOM 661 N ASP A 46 5.615 5.204 -4.345 1.00 0.00 N ATOM 662 CA ASP A 46 4.845 6.151 -5.117 1.00 0.00 C ATOM 663 C ASP A 46 3.532 6.314 -4.388 1.00 0.00 C ATOM 664 O ASP A 46 2.508 5.759 -4.768 1.00 0.00 O ATOM 665 CB ASP A 46 4.617 5.645 -6.543 1.00 0.00 C ATOM 666 CG ASP A 46 5.903 5.570 -7.342 1.00 0.00 C ATOM 667 OD1 ASP A 46 6.987 5.555 -6.724 1.00 0.00 O ATOM 668 OD2 ASP A 46 5.825 5.525 -8.588 1.00 0.00 O ATOM 0 H ASP A 46 5.505 4.235 -4.644 1.00 0.00 H new ATOM 0 HA ASP A 46 5.370 7.102 -5.209 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.157 4.657 -6.506 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.914 6.305 -7.052 1.00 0.00 H new ATOM 673 N TYR A 47 3.595 7.047 -3.296 1.00 0.00 N ATOM 674 CA TYR A 47 2.453 7.274 -2.430 1.00 0.00 C ATOM 675 C TYR A 47 1.142 7.408 -3.181 1.00 0.00 C ATOM 676 O TYR A 47 0.076 7.097 -2.648 1.00 0.00 O ATOM 677 CB TYR A 47 2.677 8.528 -1.615 1.00 0.00 C ATOM 678 CG TYR A 47 1.723 8.630 -0.474 1.00 0.00 C ATOM 679 CD1 TYR A 47 1.991 8.014 0.743 1.00 0.00 C ATOM 680 CD2 TYR A 47 0.548 9.345 -0.618 1.00 0.00 C ATOM 681 CE1 TYR A 47 1.102 8.121 1.791 1.00 0.00 C ATOM 682 CE2 TYR A 47 -0.346 9.453 0.417 1.00 0.00 C ATOM 683 CZ TYR A 47 -0.068 8.845 1.622 1.00 0.00 C ATOM 684 OH TYR A 47 -0.958 8.967 2.658 1.00 0.00 O ATOM 0 H TYR A 47 4.449 7.507 -2.980 1.00 0.00 H new ATOM 0 HA TYR A 47 2.371 6.395 -1.791 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.699 8.536 -1.235 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.569 9.402 -2.257 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.902 7.448 0.868 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.331 9.826 -1.560 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.315 7.644 2.736 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.262 10.011 0.288 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.599 8.226 2.628 1.00 0.00 H new ATOM 694 N THR A 48 1.216 7.889 -4.403 1.00 0.00 N ATOM 695 CA THR A 48 0.012 8.082 -5.197 1.00 0.00 C ATOM 696 C THR A 48 -0.152 6.992 -6.261 1.00 0.00 C ATOM 697 O THR A 48 -1.271 6.607 -6.597 1.00 0.00 O ATOM 698 CB THR A 48 0.036 9.457 -5.865 1.00 0.00 C ATOM 699 OG1 THR A 48 0.366 10.464 -4.926 1.00 0.00 O ATOM 700 CG2 THR A 48 -1.285 9.836 -6.500 1.00 0.00 C ATOM 0 H THR A 48 2.085 8.152 -4.868 1.00 0.00 H new ATOM 0 HA THR A 48 -0.839 8.018 -4.519 1.00 0.00 H new ATOM 0 HB THR A 48 0.790 9.385 -6.649 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.378 11.336 -5.372 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.200 10.822 -6.956 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.544 9.104 -7.265 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.063 9.855 -5.737 1.00 0.00 H new ATOM 708 N ARG A 49 0.967 6.518 -6.804 1.00 0.00 N ATOM 709 CA ARG A 49 0.944 5.495 -7.851 1.00 0.00 C ATOM 710 C ARG A 49 0.691 4.094 -7.293 1.00 0.00 C ATOM 711 O ARG A 49 -0.272 3.431 -7.677 1.00 0.00 O ATOM 712 CB ARG A 49 2.262 5.510 -8.628 1.00 0.00 C ATOM 713 CG ARG A 49 2.110 5.126 -10.090 1.00 0.00 C ATOM 714 CD ARG A 49 1.861 3.634 -10.251 1.00 0.00 C ATOM 715 NE ARG A 49 2.032 3.198 -11.634 1.00 0.00 N ATOM 716 CZ ARG A 49 1.186 3.501 -12.612 1.00 0.00 C ATOM 717 NH1 ARG A 49 0.116 4.241 -12.359 1.00 0.00 N ATOM 718 NH2 ARG A 49 1.411 3.067 -13.845 1.00 0.00 N ATOM 0 H ARG A 49 1.902 6.825 -6.537 1.00 0.00 H new ATOM 0 HA ARG A 49 0.116 5.737 -8.517 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.699 6.507 -8.566 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.963 4.824 -8.152 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.283 5.684 -10.530 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.010 5.407 -10.637 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.546 3.081 -9.609 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.850 3.397 -9.918 1.00 0.00 H new ATOM 0 HE ARG A 49 2.847 2.629 -11.862 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.058 4.578 -11.412 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.533 4.473 -13.111 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.235 2.499 -14.043 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.760 3.301 -14.595 1.00 0.00 H new ATOM 732 N SER A 50 1.568 3.640 -6.400 1.00 0.00 N ATOM 733 CA SER A 50 1.450 2.314 -5.805 1.00 0.00 C ATOM 734 C SER A 50 0.031 2.047 -5.342 1.00 0.00 C ATOM 735 O SER A 50 -0.575 1.058 -5.736 1.00 0.00 O ATOM 736 CB SER A 50 2.419 2.166 -4.629 1.00 0.00 C ATOM 737 OG SER A 50 2.869 3.431 -4.176 1.00 0.00 O ATOM 0 H SER A 50 2.372 4.176 -6.072 1.00 0.00 H new ATOM 0 HA SER A 50 1.705 1.581 -6.571 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.927 1.638 -3.812 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.273 1.560 -4.932 1.00 0.00 H new ATOM 0 HG SER A 50 2.123 4.067 -4.187 1.00 0.00 H new ATOM 743 N ALA A 51 -0.490 2.931 -4.500 1.00 0.00 N ATOM 744 CA ALA A 51 -1.852 2.775 -3.986 1.00 0.00 C ATOM 745 C ALA A 51 -2.878 2.686 -5.111 1.00 0.00 C ATOM 746 O ALA A 51 -3.871 1.976 -4.993 1.00 0.00 O ATOM 747 CB ALA A 51 -2.213 3.901 -3.035 1.00 0.00 C ATOM 0 H ALA A 51 0.002 3.757 -4.159 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.875 1.834 -3.436 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.230 3.757 -2.670 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.522 3.901 -2.192 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.147 4.855 -3.559 1.00 0.00 H new ATOM 753 N GLN A 52 -2.647 3.400 -6.202 1.00 0.00 N ATOM 754 CA GLN A 52 -3.579 3.366 -7.324 1.00 0.00 C ATOM 755 C GLN A 52 -3.626 1.972 -7.933 1.00 0.00 C ATOM 756 O GLN A 52 -4.686 1.492 -8.334 1.00 0.00 O ATOM 757 CB GLN A 52 -3.188 4.396 -8.385 1.00 0.00 C ATOM 758 CG GLN A 52 -4.348 4.833 -9.264 1.00 0.00 C ATOM 759 CD GLN A 52 -3.993 4.833 -10.739 1.00 0.00 C ATOM 760 OE1 GLN A 52 -2.827 4.697 -11.109 1.00 0.00 O ATOM 761 NE2 GLN A 52 -5.001 4.988 -11.589 1.00 0.00 N ATOM 0 H GLN A 52 -1.835 4.003 -6.336 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.572 3.618 -6.951 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.767 5.272 -7.892 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.403 3.977 -9.015 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.196 4.168 -9.098 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.665 5.834 -8.970 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.952 5.097 -11.238 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.824 4.998 -12.594 1.00 0.00 H new ATOM 770 N ALA A 53 -2.473 1.318 -7.976 1.00 0.00 N ATOM 771 CA ALA A 53 -2.382 -0.032 -8.511 1.00 0.00 C ATOM 772 C ALA A 53 -2.811 -1.054 -7.466 1.00 0.00 C ATOM 773 O ALA A 53 -3.156 -2.190 -7.794 1.00 0.00 O ATOM 774 CB ALA A 53 -0.960 -0.316 -8.958 1.00 0.00 C ATOM 0 H ALA A 53 -1.587 1.702 -7.646 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.051 -0.111 -9.368 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.899 -1.328 -9.357 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.672 0.397 -9.731 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.285 -0.221 -8.107 1.00 0.00 H new ATOM 780 N PHE A 54 -2.787 -0.639 -6.204 1.00 0.00 N ATOM 781 CA PHE A 54 -3.169 -1.498 -5.103 1.00 0.00 C ATOM 782 C PHE A 54 -4.681 -1.679 -5.088 1.00 0.00 C ATOM 783 O PHE A 54 -5.180 -2.760 -4.787 1.00 0.00 O ATOM 784 CB PHE A 54 -2.639 -0.894 -3.778 1.00 0.00 C ATOM 785 CG PHE A 54 -3.659 -0.716 -2.677 1.00 0.00 C ATOM 786 CD1 PHE A 54 -4.100 -1.809 -1.953 1.00 0.00 C ATOM 787 CD2 PHE A 54 -4.175 0.538 -2.375 1.00 0.00 C ATOM 788 CE1 PHE A 54 -5.031 -1.658 -0.950 1.00 0.00 C ATOM 789 CE2 PHE A 54 -5.111 0.692 -1.369 1.00 0.00 C ATOM 790 CZ PHE A 54 -5.534 -0.406 -0.660 1.00 0.00 C ATOM 0 H PHE A 54 -2.503 0.299 -5.922 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.726 -2.487 -5.222 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.839 -1.533 -3.405 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.196 0.078 -3.996 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.710 -2.791 -2.177 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.842 1.401 -2.932 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.367 -2.518 -0.391 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.508 1.671 -1.142 1.00 0.00 H new ATOM 0 HZ PHE A 54 -6.263 -0.289 0.128 1.00 0.00 H new ATOM 800 N THR A 55 -5.401 -0.608 -5.411 1.00 0.00 N ATOM 801 CA THR A 55 -6.853 -0.648 -5.421 1.00 0.00 C ATOM 802 C THR A 55 -7.364 -1.661 -6.437 1.00 0.00 C ATOM 803 O THR A 55 -8.242 -2.468 -6.134 1.00 0.00 O ATOM 804 CB THR A 55 -7.431 0.735 -5.721 1.00 0.00 C ATOM 805 OG1 THR A 55 -7.495 0.964 -7.117 1.00 0.00 O ATOM 806 CG2 THR A 55 -6.638 1.868 -5.105 1.00 0.00 C ATOM 0 H THR A 55 -5.000 0.294 -5.668 1.00 0.00 H new ATOM 0 HA THR A 55 -7.184 -0.957 -4.430 1.00 0.00 H new ATOM 0 HB THR A 55 -8.426 0.729 -5.276 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.593 1.128 -7.463 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.105 2.819 -5.359 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.618 1.751 -4.021 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.619 1.850 -5.491 1.00 0.00 H new ATOM 814 N HIS A 56 -6.806 -1.620 -7.641 1.00 0.00 N ATOM 815 CA HIS A 56 -7.206 -2.543 -8.693 1.00 0.00 C ATOM 816 C HIS A 56 -7.023 -3.987 -8.236 1.00 0.00 C ATOM 817 O HIS A 56 -7.706 -4.893 -8.713 1.00 0.00 O ATOM 818 CB HIS A 56 -6.381 -2.293 -9.955 1.00 0.00 C ATOM 819 CG HIS A 56 -6.952 -2.935 -11.181 1.00 0.00 C ATOM 820 ND1 HIS A 56 -8.024 -2.432 -11.883 1.00 0.00 N ATOM 821 CD2 HIS A 56 -6.575 -4.066 -11.831 1.00 0.00 C ATOM 822 CE1 HIS A 56 -8.262 -3.253 -12.914 1.00 0.00 C ATOM 823 NE2 HIS A 56 -7.410 -4.261 -12.929 1.00 0.00 N ATOM 0 H HIS A 56 -6.078 -0.959 -7.911 1.00 0.00 H new ATOM 0 HA HIS A 56 -8.260 -2.375 -8.915 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -6.302 -1.219 -10.121 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -5.369 -2.666 -9.797 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -8.545 -1.584 -11.658 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -5.758 -4.711 -11.543 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -9.049 -3.109 -13.639 1.00 0.00 H new ATOM 831 N LEU A 57 -6.087 -4.189 -7.316 1.00 0.00 N ATOM 832 CA LEU A 57 -5.795 -5.519 -6.796 1.00 0.00 C ATOM 833 C LEU A 57 -6.761 -5.920 -5.682 1.00 0.00 C ATOM 834 O LEU A 57 -7.080 -7.098 -5.525 1.00 0.00 O ATOM 835 CB LEU A 57 -4.355 -5.574 -6.282 1.00 0.00 C ATOM 836 CG LEU A 57 -3.979 -6.855 -5.536 1.00 0.00 C ATOM 837 CD1 LEU A 57 -3.073 -7.726 -6.393 1.00 0.00 C ATOM 838 CD2 LEU A 57 -3.306 -6.518 -4.215 1.00 0.00 C ATOM 0 H LEU A 57 -5.516 -3.446 -6.914 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.921 -6.228 -7.614 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.679 -5.454 -7.129 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.190 -4.725 -5.619 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.890 -7.415 -5.326 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.816 -8.633 -5.846 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.590 -7.993 -7.315 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.162 -7.177 -6.634 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.044 -7.439 -3.695 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.402 -5.939 -4.404 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.989 -5.934 -3.597 1.00 0.00 H new ATOM 850 N LYS A 58 -7.225 -4.943 -4.904 1.00 0.00 N ATOM 851 CA LYS A 58 -8.151 -5.223 -3.806 1.00 0.00 C ATOM 852 C LYS A 58 -9.320 -6.078 -4.285 1.00 0.00 C ATOM 853 O LYS A 58 -9.932 -6.805 -3.503 1.00 0.00 O ATOM 854 CB LYS A 58 -8.683 -3.923 -3.194 1.00 0.00 C ATOM 855 CG LYS A 58 -7.596 -2.952 -2.775 1.00 0.00 C ATOM 856 CD LYS A 58 -8.174 -1.651 -2.240 1.00 0.00 C ATOM 857 CE LYS A 58 -9.242 -1.078 -3.162 1.00 0.00 C ATOM 858 NZ LYS A 58 -10.612 -1.484 -2.744 1.00 0.00 N ATOM 0 H LYS A 58 -6.978 -3.959 -5.011 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.600 -5.773 -3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.336 -3.433 -3.917 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.295 -4.166 -2.325 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.972 -3.414 -2.010 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.951 -2.739 -3.627 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.602 -1.824 -1.253 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.373 -0.922 -2.117 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.171 0.010 -3.167 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.059 -1.414 -4.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.176 -1.720 -3.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.553 -2.315 -2.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.065 -0.700 -2.232 1.00 0.00 H new ATOM 872 N ALA A 59 -9.625 -5.979 -5.574 1.00 0.00 N ATOM 873 CA ALA A 59 -10.724 -6.740 -6.158 1.00 0.00 C ATOM 874 C ALA A 59 -10.219 -7.765 -7.170 1.00 0.00 C ATOM 875 O ALA A 59 -10.468 -8.962 -7.030 1.00 0.00 O ATOM 876 CB ALA A 59 -11.723 -5.798 -6.814 1.00 0.00 C ATOM 0 H ALA A 59 -9.128 -5.381 -6.234 1.00 0.00 H new ATOM 0 HA ALA A 59 -11.220 -7.284 -5.354 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -12.539 -6.377 -7.247 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.121 -5.112 -6.066 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.225 -5.229 -7.600 1.00 0.00 H new ATOM 882 N LYS A 60 -9.514 -7.288 -8.191 1.00 0.00 N ATOM 883 CA LYS A 60 -8.982 -8.166 -9.228 1.00 0.00 C ATOM 884 C LYS A 60 -8.013 -9.185 -8.640 1.00 0.00 C ATOM 885 O LYS A 60 -8.095 -10.378 -8.936 1.00 0.00 O ATOM 886 CB LYS A 60 -8.280 -7.344 -10.311 1.00 0.00 C ATOM 887 CG LYS A 60 -9.210 -6.408 -11.065 1.00 0.00 C ATOM 888 CD LYS A 60 -9.326 -6.799 -12.529 1.00 0.00 C ATOM 889 CE LYS A 60 -10.197 -5.821 -13.301 1.00 0.00 C ATOM 890 NZ LYS A 60 -11.052 -6.512 -14.305 1.00 0.00 N ATOM 0 H LYS A 60 -9.298 -6.300 -8.323 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.818 -8.705 -9.673 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.484 -6.759 -9.852 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.808 -8.023 -11.021 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.197 -6.425 -10.603 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.840 -5.386 -10.988 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.333 -6.835 -12.977 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.747 -7.802 -12.606 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.828 -5.269 -12.605 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.564 -5.090 -13.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.630 -5.811 -14.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.449 -7.018 -14.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.674 -7.191 -13.822 1.00 0.00 H new ATOM 904 N GLY A 61 -7.094 -8.708 -7.809 1.00 0.00 N ATOM 905 CA GLY A 61 -6.120 -9.590 -7.193 1.00 0.00 C ATOM 906 C GLY A 61 -6.730 -10.474 -6.126 1.00 0.00 C ATOM 907 O GLY A 61 -7.333 -11.503 -6.432 1.00 0.00 O ATOM 0 H GLY A 61 -7.006 -7.725 -7.550 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.664 -10.215 -7.961 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.322 -8.993 -6.753 1.00 0.00 H new ATOM 911 N GLU A 62 -6.577 -10.073 -4.868 1.00 0.00 N ATOM 912 CA GLU A 62 -7.117 -10.838 -3.751 1.00 0.00 C ATOM 913 C GLU A 62 -7.049 -10.038 -2.457 1.00 0.00 C ATOM 914 O GLU A 62 -8.075 -9.726 -1.852 1.00 0.00 O ATOM 915 CB GLU A 62 -6.360 -12.158 -3.591 1.00 0.00 C ATOM 916 CG GLU A 62 -4.881 -12.064 -3.933 1.00 0.00 C ATOM 917 CD GLU A 62 -4.506 -12.911 -5.133 1.00 0.00 C ATOM 918 OE1 GLU A 62 -4.932 -12.569 -6.257 1.00 0.00 O ATOM 919 OE2 GLU A 62 -3.784 -13.914 -4.950 1.00 0.00 O ATOM 0 H GLU A 62 -6.083 -9.222 -4.597 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.163 -11.054 -3.967 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.464 -12.503 -2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.823 -12.911 -4.228 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.623 -11.024 -4.132 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.292 -12.379 -3.072 1.00 0.00 H new ATOM 926 N ILE A 63 -5.833 -9.710 -2.037 1.00 0.00 N ATOM 927 CA ILE A 63 -5.625 -8.949 -0.811 1.00 0.00 C ATOM 928 C ILE A 63 -6.381 -9.574 0.353 1.00 0.00 C ATOM 929 O ILE A 63 -7.587 -9.370 0.496 1.00 0.00 O ATOM 930 CB ILE A 63 -6.077 -7.473 -0.972 1.00 0.00 C ATOM 931 CG1 ILE A 63 -5.148 -6.742 -1.942 1.00 0.00 C ATOM 932 CG2 ILE A 63 -6.120 -6.749 0.379 1.00 0.00 C ATOM 933 CD1 ILE A 63 -5.409 -5.254 -2.030 1.00 0.00 C ATOM 0 H ILE A 63 -4.975 -9.960 -2.528 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.555 -8.970 -0.604 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.088 -7.472 -1.379 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.115 -6.903 -1.633 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.256 -7.180 -2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.440 -5.718 0.229 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.823 -7.255 1.041 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.127 -6.759 0.829 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.712 -4.804 -2.737 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.431 -5.083 -2.369 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.272 -4.802 -1.048 1.00 0.00 H new ATOM 945 N PRO A 64 -5.686 -10.309 1.228 1.00 0.00 N ATOM 946 CA PRO A 64 -6.323 -10.909 2.394 1.00 0.00 C ATOM 947 C PRO A 64 -7.043 -9.835 3.200 1.00 0.00 C ATOM 948 O PRO A 64 -6.582 -8.698 3.270 1.00 0.00 O ATOM 949 CB PRO A 64 -5.144 -11.488 3.179 1.00 0.00 C ATOM 950 CG PRO A 64 -4.093 -11.718 2.156 1.00 0.00 C ATOM 951 CD PRO A 64 -4.238 -10.584 1.184 1.00 0.00 C ATOM 0 HA PRO A 64 -7.072 -11.661 2.147 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.803 -10.797 3.950 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.419 -12.416 3.681 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.100 -11.727 2.606 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.228 -12.680 1.662 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.651 -9.716 1.483 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.908 -10.863 0.183 1.00 0.00 H new ATOM 959 N GLU A 65 -8.177 -10.182 3.784 1.00 0.00 N ATOM 960 CA GLU A 65 -8.946 -9.215 4.559 1.00 0.00 C ATOM 961 C GLU A 65 -8.141 -8.702 5.749 1.00 0.00 C ATOM 962 O GLU A 65 -8.300 -7.559 6.173 1.00 0.00 O ATOM 963 CB GLU A 65 -10.257 -9.822 5.036 1.00 0.00 C ATOM 964 CG GLU A 65 -10.876 -10.806 4.056 1.00 0.00 C ATOM 965 CD GLU A 65 -12.374 -10.621 3.911 1.00 0.00 C ATOM 966 OE1 GLU A 65 -13.111 -10.986 4.851 1.00 0.00 O ATOM 967 OE2 GLU A 65 -12.809 -10.110 2.858 1.00 0.00 O ATOM 0 H GLU A 65 -8.585 -11.116 3.739 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.171 -8.372 3.906 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.086 -10.329 5.985 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.969 -9.019 5.227 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.403 -10.688 3.081 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.670 -11.823 4.389 1.00 0.00 H new ATOM 974 N VAL A 66 -7.267 -9.553 6.276 1.00 0.00 N ATOM 975 CA VAL A 66 -6.414 -9.188 7.410 1.00 0.00 C ATOM 976 C VAL A 66 -5.796 -7.802 7.188 1.00 0.00 C ATOM 977 O VAL A 66 -5.510 -7.075 8.140 1.00 0.00 O ATOM 978 CB VAL A 66 -5.299 -10.252 7.620 1.00 0.00 C ATOM 979 CG1 VAL A 66 -4.776 -10.737 6.286 1.00 0.00 C ATOM 980 CG2 VAL A 66 -4.139 -9.730 8.460 1.00 0.00 C ATOM 0 H VAL A 66 -7.128 -10.505 5.937 1.00 0.00 H new ATOM 0 HA VAL A 66 -7.030 -9.154 8.308 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.755 -11.078 8.165 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.996 -11.481 6.450 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.591 -11.184 5.717 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.363 -9.896 5.729 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.391 -10.514 8.574 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.690 -8.869 7.965 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.506 -9.433 9.442 1.00 0.00 H new ATOM 990 N ALA A 67 -5.600 -7.451 5.921 1.00 0.00 N ATOM 991 CA ALA A 67 -5.025 -6.161 5.558 1.00 0.00 C ATOM 992 C ALA A 67 -5.986 -5.022 5.879 1.00 0.00 C ATOM 993 O ALA A 67 -5.606 -4.035 6.509 1.00 0.00 O ATOM 994 CB ALA A 67 -4.666 -6.149 4.082 1.00 0.00 C ATOM 0 H ALA A 67 -5.832 -8.045 5.125 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.119 -6.012 6.146 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.237 -5.182 3.820 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.939 -6.935 3.878 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.563 -6.321 3.488 1.00 0.00 H new ATOM 1000 N PHE A 68 -7.234 -5.170 5.445 1.00 0.00 N ATOM 1001 CA PHE A 68 -8.257 -4.157 5.689 1.00 0.00 C ATOM 1002 C PHE A 68 -8.798 -4.225 7.122 1.00 0.00 C ATOM 1003 O PHE A 68 -9.724 -3.494 7.471 1.00 0.00 O ATOM 1004 CB PHE A 68 -9.415 -4.325 4.701 1.00 0.00 C ATOM 1005 CG PHE A 68 -9.007 -4.293 3.270 1.00 0.00 C ATOM 1006 CD1 PHE A 68 -8.693 -3.099 2.654 1.00 0.00 C ATOM 1007 CD2 PHE A 68 -8.955 -5.460 2.536 1.00 0.00 C ATOM 1008 CE1 PHE A 68 -8.333 -3.067 1.328 1.00 0.00 C ATOM 1009 CE2 PHE A 68 -8.596 -5.438 1.210 1.00 0.00 C ATOM 1010 CZ PHE A 68 -8.283 -4.240 0.599 1.00 0.00 C ATOM 0 H PHE A 68 -7.562 -5.982 4.922 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.788 -3.183 5.548 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.916 -5.272 4.903 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -10.145 -3.535 4.877 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.731 -2.180 3.220 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.199 -6.400 3.008 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -8.090 -2.126 0.856 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.559 -6.358 0.645 1.00 0.00 H new ATOM 0 HZ PHE A 68 -8.001 -4.220 -0.443 1.00 0.00 H new ATOM 1020 N MET A 69 -8.223 -5.105 7.951 1.00 0.00 N ATOM 1021 CA MET A 69 -8.658 -5.262 9.340 1.00 0.00 C ATOM 1022 C MET A 69 -9.900 -6.142 9.420 1.00 0.00 C ATOM 1023 O MET A 69 -11.012 -5.651 9.617 1.00 0.00 O ATOM 1024 CB MET A 69 -8.937 -3.902 9.991 1.00 0.00 C ATOM 1025 CG MET A 69 -8.415 -3.790 11.414 1.00 0.00 C ATOM 1026 SD MET A 69 -8.687 -2.156 12.126 1.00 0.00 S ATOM 1027 CE MET A 69 -9.137 -2.589 13.805 1.00 0.00 C ATOM 0 H MET A 69 -7.454 -5.719 7.681 1.00 0.00 H new ATOM 0 HA MET A 69 -7.848 -5.745 9.886 1.00 0.00 H new ATOM 0 HB2 MET A 69 -8.484 -3.118 9.384 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.012 -3.723 9.992 1.00 0.00 H new ATOM 0 HG2 MET A 69 -8.904 -4.539 12.036 1.00 0.00 H new ATOM 0 HG3 MET A 69 -7.348 -4.014 11.424 1.00 0.00 H new ATOM 0 HE1 MET A 69 -9.337 -1.681 14.374 1.00 0.00 H new ATOM 0 HE2 MET A 69 -10.030 -3.213 13.793 1.00 0.00 H new ATOM 0 HE3 MET A 69 -8.318 -3.137 14.271 1.00 0.00 H new ATOM 1037 N LYS A 70 -9.701 -7.447 9.263 1.00 0.00 N ATOM 1038 CA LYS A 70 -10.802 -8.401 9.315 1.00 0.00 C ATOM 1039 C LYS A 70 -10.485 -9.546 10.272 1.00 0.00 C ATOM 1040 O LYS A 70 -10.761 -9.399 11.482 1.00 0.00 O ATOM 1041 CB LYS A 70 -11.090 -8.954 7.918 1.00 0.00 C ATOM 1042 CG LYS A 70 -12.121 -8.146 7.147 1.00 0.00 C ATOM 1043 CD LYS A 70 -11.514 -6.881 6.563 1.00 0.00 C ATOM 1044 CE LYS A 70 -11.823 -6.748 5.081 1.00 0.00 C ATOM 1045 NZ LYS A 70 -12.381 -5.409 4.746 1.00 0.00 N ATOM 1046 OXT LYS A 70 -9.964 -10.580 9.805 1.00 0.00 O ATOM 0 H LYS A 70 -8.786 -7.868 9.099 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.686 -7.879 9.682 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.161 -8.981 7.348 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.439 -9.983 8.008 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.536 -8.755 6.344 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.947 -7.883 7.808 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.900 -6.012 7.096 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.434 -6.892 6.711 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.913 -6.916 4.504 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.534 -7.521 4.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.130 -5.163 3.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.416 -5.430 4.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.987 -4.697 5.394 1.00 0.00 H new TER 1060 LYS A 70