USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 535 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 54 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 16 CYS SG : rot -4:sc= -6.62! USER MOD Set 2.2: A 19 CYS SG : rot 92:sc= 0.947 USER MOD Set 2.3: A 50 GLN : amide:sc= -1.35! C(o=-7!,f=-11!) USER MOD Single : A 1 TYR N :NH3+ 134:sc= 1.37 (180deg=0.102) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-0.39) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.239 X(o=-0.24,f=-0.0031) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -23:sc= 0.405 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0576 K(o=-0.058,f=-1.6!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.41) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -3.31! C(o=-3.3!,f=-2.3!) USER MOD Single : A 63 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0132) USER MOD Single : A 64 GLN : amide:sc= -0.0513 K(o=-0.051,f=-0.93) USER MOD Single : A 66 HIS : no HD1:sc= -0.241 X(o=-0.24,f=-0.065) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 10.998 21.681 -6.567 1.00 0.00 N ATOM 2 CA TYR A 1 10.698 20.605 -5.586 1.00 0.00 C ATOM 3 C TYR A 1 9.235 20.186 -5.660 1.00 0.00 C ATOM 4 O TYR A 1 8.334 21.004 -5.473 1.00 0.00 O ATOM 5 CB TYR A 1 11.026 21.119 -4.183 1.00 0.00 C ATOM 6 CG TYR A 1 12.334 21.874 -4.102 1.00 0.00 C ATOM 7 CD1 TYR A 1 13.525 21.211 -3.837 1.00 0.00 C ATOM 8 CD2 TYR A 1 12.374 23.251 -4.284 1.00 0.00 C ATOM 9 CE1 TYR A 1 14.722 21.898 -3.758 1.00 0.00 C ATOM 10 CE2 TYR A 1 13.567 23.945 -4.208 1.00 0.00 C ATOM 11 CZ TYR A 1 14.737 23.264 -3.945 1.00 0.00 C ATOM 12 OH TYR A 1 15.926 23.952 -3.869 1.00 0.00 O ATOM 0 H1 TYR A 1 11.552 22.429 -6.103 1.00 0.00 H new ATOM 0 H2 TYR A 1 11.544 21.286 -7.359 1.00 0.00 H new ATOM 0 H3 TYR A 1 10.108 22.082 -6.926 1.00 0.00 H new ATOM 0 HA TYR A 1 11.305 19.730 -5.819 1.00 0.00 H new ATOM 0 HB2 TYR A 1 10.219 21.770 -3.847 1.00 0.00 H new ATOM 0 HB3 TYR A 1 11.061 20.274 -3.495 1.00 0.00 H new ATOM 0 HD1 TYR A 1 13.516 20.141 -3.690 1.00 0.00 H new ATOM 0 HD2 TYR A 1 11.459 23.787 -4.488 1.00 0.00 H new ATOM 0 HE1 TYR A 1 15.640 21.368 -3.551 1.00 0.00 H new ATOM 0 HE2 TYR A 1 13.583 25.015 -4.354 1.00 0.00 H new ATOM 0 HH TYR A 1 15.763 24.906 -4.026 1.00 0.00 H new ATOM 24 N HIS A 2 9.004 18.906 -5.928 1.00 0.00 N ATOM 25 CA HIS A 2 7.649 18.379 -6.023 1.00 0.00 C ATOM 26 C HIS A 2 7.661 16.857 -6.113 1.00 0.00 C ATOM 27 O HIS A 2 8.335 16.281 -6.967 1.00 0.00 O ATOM 28 CB HIS A 2 6.935 18.967 -7.242 1.00 0.00 C ATOM 29 CG HIS A 2 7.690 18.785 -8.521 1.00 0.00 C ATOM 30 ND1 HIS A 2 7.111 18.302 -9.676 1.00 0.00 N ATOM 31 CD2 HIS A 2 8.988 19.022 -8.825 1.00 0.00 C ATOM 32 CE1 HIS A 2 8.019 18.250 -10.633 1.00 0.00 C ATOM 33 NE2 HIS A 2 9.166 18.682 -10.143 1.00 0.00 N ATOM 0 H HIS A 2 9.738 18.215 -6.083 1.00 0.00 H new ATOM 0 HA HIS A 2 7.111 18.667 -5.120 1.00 0.00 H new ATOM 0 HB2 HIS A 2 5.954 18.501 -7.339 1.00 0.00 H new ATOM 0 HB3 HIS A 2 6.767 20.031 -7.077 1.00 0.00 H new ATOM 0 HD2 HIS A 2 9.743 19.407 -8.155 1.00 0.00 H new ATOM 0 HE1 HIS A 2 7.852 17.912 -11.645 1.00 0.00 H new ATOM 0 HE2 HIS A 2 10.043 18.752 -10.660 1.00 0.00 H new ATOM 42 N ALA A 3 6.912 16.213 -5.226 1.00 0.00 N ATOM 43 CA ALA A 3 6.838 14.758 -5.200 1.00 0.00 C ATOM 44 C ALA A 3 5.738 14.283 -4.257 1.00 0.00 C ATOM 45 O ALA A 3 5.118 15.084 -3.556 1.00 0.00 O ATOM 46 CB ALA A 3 8.179 14.170 -4.791 1.00 0.00 C ATOM 0 H ALA A 3 6.347 16.676 -4.515 1.00 0.00 H new ATOM 0 HA ALA A 3 6.594 14.411 -6.204 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.110 13.082 -4.776 1.00 0.00 H new ATOM 0 HB2 ALA A 3 8.943 14.475 -5.506 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.447 14.531 -3.798 1.00 0.00 H new ATOM 52 N ASP A 4 5.504 12.976 -4.243 1.00 0.00 N ATOM 53 CA ASP A 4 4.481 12.392 -3.383 1.00 0.00 C ATOM 54 C ASP A 4 5.062 11.261 -2.536 1.00 0.00 C ATOM 55 O ASP A 4 4.730 10.093 -2.733 1.00 0.00 O ATOM 56 CB ASP A 4 3.318 11.865 -4.225 1.00 0.00 C ATOM 57 CG ASP A 4 2.643 12.958 -5.029 1.00 0.00 C ATOM 58 OD1 ASP A 4 2.162 13.934 -4.417 1.00 0.00 O ATOM 59 OD2 ASP A 4 2.598 12.839 -6.271 1.00 0.00 O ATOM 0 H ASP A 4 6.008 12.300 -4.817 1.00 0.00 H new ATOM 0 HA ASP A 4 4.115 13.172 -2.715 1.00 0.00 H new ATOM 0 HB2 ASP A 4 3.684 11.093 -4.902 1.00 0.00 H new ATOM 0 HB3 ASP A 4 2.584 11.393 -3.571 1.00 0.00 H new ATOM 64 N PRO A 5 5.944 11.597 -1.579 1.00 0.00 N ATOM 65 CA PRO A 5 6.573 10.602 -0.702 1.00 0.00 C ATOM 66 C PRO A 5 5.547 9.721 0.003 1.00 0.00 C ATOM 67 O PRO A 5 5.795 8.543 0.254 1.00 0.00 O ATOM 68 CB PRO A 5 7.336 11.451 0.317 1.00 0.00 C ATOM 69 CG PRO A 5 7.579 12.750 -0.371 1.00 0.00 C ATOM 70 CD PRO A 5 6.400 12.967 -1.277 1.00 0.00 C ATOM 0 HA PRO A 5 7.207 9.913 -1.260 1.00 0.00 H new ATOM 0 HB2 PRO A 5 6.756 11.590 1.229 1.00 0.00 H new ATOM 0 HB3 PRO A 5 8.273 10.975 0.605 1.00 0.00 H new ATOM 0 HG2 PRO A 5 7.671 13.562 0.350 1.00 0.00 H new ATOM 0 HG3 PRO A 5 8.508 12.722 -0.940 1.00 0.00 H new ATOM 0 HD2 PRO A 5 5.620 13.551 -0.789 1.00 0.00 H new ATOM 0 HD3 PRO A 5 6.682 13.505 -2.182 1.00 0.00 H new ATOM 78 N SER A 6 4.397 10.304 0.325 1.00 0.00 N ATOM 79 CA SER A 6 3.335 9.574 1.007 1.00 0.00 C ATOM 80 C SER A 6 2.769 8.474 0.116 1.00 0.00 C ATOM 81 O SER A 6 1.667 8.599 -0.418 1.00 0.00 O ATOM 82 CB SER A 6 2.218 10.532 1.425 1.00 0.00 C ATOM 83 OG SER A 6 2.189 10.701 2.831 1.00 0.00 O ATOM 0 H SER A 6 4.177 11.280 0.125 1.00 0.00 H new ATOM 0 HA SER A 6 3.761 9.111 1.897 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.364 11.498 0.943 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.258 10.147 1.082 1.00 0.00 H new ATOM 0 HG SER A 6 1.467 11.319 3.071 1.00 0.00 H new ATOM 89 N LEU A 7 3.529 7.394 -0.039 1.00 0.00 N ATOM 90 CA LEU A 7 3.099 6.270 -0.862 1.00 0.00 C ATOM 91 C LEU A 7 4.068 5.099 -0.739 1.00 0.00 C ATOM 92 O LEU A 7 3.717 4.045 -0.210 1.00 0.00 O ATOM 93 CB LEU A 7 2.979 6.698 -2.326 1.00 0.00 C ATOM 94 CG LEU A 7 2.659 5.569 -3.312 1.00 0.00 C ATOM 95 CD1 LEU A 7 3.916 4.783 -3.649 1.00 0.00 C ATOM 96 CD2 LEU A 7 1.588 4.646 -2.748 1.00 0.00 C ATOM 0 H LEU A 7 4.445 7.274 0.394 1.00 0.00 H new ATOM 0 HA LEU A 7 2.122 5.946 -0.504 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.201 7.457 -2.403 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.915 7.168 -2.628 1.00 0.00 H new ATOM 0 HG LEU A 7 2.275 6.017 -4.229 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.670 3.986 -4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.651 5.449 -4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.330 4.350 -2.738 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.377 3.852 -3.465 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.940 4.207 -1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.678 5.216 -2.560 1.00 0.00 H new ATOM 108 N VAL A 8 5.286 5.287 -1.237 1.00 0.00 N ATOM 109 CA VAL A 8 6.301 4.241 -1.185 1.00 0.00 C ATOM 110 C VAL A 8 6.601 3.836 0.254 1.00 0.00 C ATOM 111 O VAL A 8 6.723 2.650 0.562 1.00 0.00 O ATOM 112 CB VAL A 8 7.610 4.693 -1.862 1.00 0.00 C ATOM 113 CG1 VAL A 8 7.357 5.079 -3.311 1.00 0.00 C ATOM 114 CG2 VAL A 8 8.237 5.847 -1.096 1.00 0.00 C ATOM 0 H VAL A 8 5.594 6.152 -1.680 1.00 0.00 H new ATOM 0 HA VAL A 8 5.898 3.384 -1.725 1.00 0.00 H new ATOM 0 HB VAL A 8 8.310 3.858 -1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.293 5.395 -3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.958 4.221 -3.852 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.639 5.898 -3.349 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.160 6.152 -1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.543 6.687 -1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.458 5.530 -0.077 1.00 0.00 H new ATOM 124 N SER A 9 6.721 4.828 1.130 1.00 0.00 N ATOM 125 CA SER A 9 7.008 4.575 2.536 1.00 0.00 C ATOM 126 C SER A 9 5.948 3.671 3.157 1.00 0.00 C ATOM 127 O SER A 9 6.247 2.852 4.025 1.00 0.00 O ATOM 128 CB SER A 9 7.086 5.895 3.305 1.00 0.00 C ATOM 129 OG SER A 9 6.751 5.716 4.670 1.00 0.00 O ATOM 0 H SER A 9 6.624 5.815 0.890 1.00 0.00 H new ATOM 0 HA SER A 9 7.970 4.067 2.599 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.093 6.305 3.226 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.410 6.621 2.855 1.00 0.00 H new ATOM 0 HG SER A 9 6.811 6.576 5.137 1.00 0.00 H new ATOM 135 N PHE A 10 4.706 3.829 2.709 1.00 0.00 N ATOM 136 CA PHE A 10 3.601 3.031 3.226 1.00 0.00 C ATOM 137 C PHE A 10 3.530 1.678 2.528 1.00 0.00 C ATOM 138 O PHE A 10 3.347 0.646 3.172 1.00 0.00 O ATOM 139 CB PHE A 10 2.278 3.779 3.048 1.00 0.00 C ATOM 140 CG PHE A 10 1.451 3.847 4.300 1.00 0.00 C ATOM 141 CD1 PHE A 10 1.406 2.773 5.175 1.00 0.00 C ATOM 142 CD2 PHE A 10 0.718 4.983 4.600 1.00 0.00 C ATOM 143 CE1 PHE A 10 0.645 2.833 6.327 1.00 0.00 C ATOM 144 CE2 PHE A 10 -0.045 5.049 5.751 1.00 0.00 C ATOM 145 CZ PHE A 10 -0.081 3.973 6.616 1.00 0.00 C ATOM 0 H PHE A 10 4.441 4.502 1.990 1.00 0.00 H new ATOM 0 HA PHE A 10 3.776 2.861 4.288 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.487 4.792 2.705 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.697 3.291 2.265 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.972 1.880 4.954 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.743 5.827 3.927 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.618 1.990 7.001 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.612 5.941 5.973 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.675 4.022 7.516 1.00 0.00 H new ATOM 155 N LEU A 11 3.683 1.687 1.205 1.00 0.00 N ATOM 156 CA LEU A 11 3.639 0.459 0.417 1.00 0.00 C ATOM 157 C LEU A 11 4.509 -0.623 1.041 1.00 0.00 C ATOM 158 O LEU A 11 4.043 -1.726 1.326 1.00 0.00 O ATOM 159 CB LEU A 11 4.106 0.737 -1.013 1.00 0.00 C ATOM 160 CG LEU A 11 3.690 -0.312 -2.046 1.00 0.00 C ATOM 161 CD1 LEU A 11 4.483 -1.595 -1.851 1.00 0.00 C ATOM 162 CD2 LEU A 11 2.197 -0.583 -1.956 1.00 0.00 C ATOM 0 H LEU A 11 3.839 2.533 0.657 1.00 0.00 H new ATOM 0 HA LEU A 11 2.608 0.104 0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.716 1.706 -1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.193 0.816 -1.015 1.00 0.00 H new ATOM 0 HG LEU A 11 3.908 0.076 -3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.174 -2.330 -2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.547 -1.387 -1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.297 -1.989 -0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.918 -1.331 -2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.953 -0.951 -0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.648 0.339 -2.146 1.00 0.00 H new ATOM 174 N THR A 12 5.776 -0.295 1.255 1.00 0.00 N ATOM 175 CA THR A 12 6.717 -1.230 1.855 1.00 0.00 C ATOM 176 C THR A 12 6.432 -1.404 3.341 1.00 0.00 C ATOM 177 O THR A 12 6.337 -2.528 3.838 1.00 0.00 O ATOM 178 CB THR A 12 8.152 -0.736 1.655 1.00 0.00 C ATOM 179 OG1 THR A 12 8.443 -0.591 0.276 1.00 0.00 O ATOM 180 CG2 THR A 12 9.193 -1.656 2.251 1.00 0.00 C ATOM 0 H THR A 12 6.176 0.614 1.021 1.00 0.00 H new ATOM 0 HA THR A 12 6.599 -2.196 1.364 1.00 0.00 H new ATOM 0 HB THR A 12 8.202 0.222 2.173 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.364 -0.273 0.168 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.187 -1.245 2.073 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.026 -1.748 3.324 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.118 -2.639 1.787 1.00 0.00 H new ATOM 188 N GLY A 13 6.291 -0.283 4.044 1.00 0.00 N ATOM 189 CA GLY A 13 6.015 -0.327 5.469 1.00 0.00 C ATOM 190 C GLY A 13 4.852 -1.237 5.802 1.00 0.00 C ATOM 191 O GLY A 13 4.798 -1.821 6.885 1.00 0.00 O ATOM 0 H GLY A 13 6.363 0.656 3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 13 6.904 -0.669 5.998 1.00 0.00 H new ATOM 0 HA3 GLY A 13 5.799 0.680 5.826 1.00 0.00 H new ATOM 195 N LEU A 14 3.919 -1.356 4.867 1.00 0.00 N ATOM 196 CA LEU A 14 2.756 -2.207 5.044 1.00 0.00 C ATOM 197 C LEU A 14 3.157 -3.675 5.166 1.00 0.00 C ATOM 198 O LEU A 14 2.356 -4.513 5.579 1.00 0.00 O ATOM 199 CB LEU A 14 1.817 -2.021 3.853 1.00 0.00 C ATOM 200 CG LEU A 14 0.361 -1.714 4.199 1.00 0.00 C ATOM 201 CD1 LEU A 14 0.277 -0.685 5.315 1.00 0.00 C ATOM 202 CD2 LEU A 14 -0.375 -1.220 2.965 1.00 0.00 C ATOM 0 H LEU A 14 3.948 -0.868 3.972 1.00 0.00 H new ATOM 0 HA LEU A 14 2.251 -1.922 5.967 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.202 -1.212 3.233 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.844 -2.927 3.247 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.113 -2.632 4.548 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.769 -0.482 5.545 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.775 -1.071 6.204 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.764 0.237 4.997 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.412 -1.004 3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.104 -0.313 2.595 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.345 -1.988 2.192 1.00 0.00 H new ATOM 214 N GLY A 15 4.399 -3.983 4.798 1.00 0.00 N ATOM 215 CA GLY A 15 4.870 -5.350 4.852 1.00 0.00 C ATOM 216 C GLY A 15 5.228 -5.890 3.480 1.00 0.00 C ATOM 217 O GLY A 15 5.419 -7.096 3.314 1.00 0.00 O ATOM 0 H GLY A 15 5.085 -3.307 4.464 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.744 -5.406 5.501 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.101 -5.980 5.299 1.00 0.00 H new ATOM 221 N CYS A 16 5.320 -5.000 2.492 1.00 0.00 N ATOM 222 CA CYS A 16 5.654 -5.407 1.131 1.00 0.00 C ATOM 223 C CYS A 16 7.008 -4.844 0.707 1.00 0.00 C ATOM 224 O CYS A 16 7.089 -4.033 -0.216 1.00 0.00 O ATOM 225 CB CYS A 16 4.569 -4.943 0.158 1.00 0.00 C ATOM 226 SG CYS A 16 3.202 -6.110 -0.034 1.00 0.00 S ATOM 0 H CYS A 16 5.169 -3.998 2.609 1.00 0.00 H new ATOM 0 HA CYS A 16 5.713 -6.495 1.110 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.172 -3.988 0.502 1.00 0.00 H new ATOM 0 HB3 CYS A 16 5.022 -4.767 -0.818 1.00 0.00 H new ATOM 0 HG CYS A 16 3.451 -7.187 0.650 1.00 0.00 H new ATOM 232 N PRO A 17 8.094 -5.275 1.371 1.00 0.00 N ATOM 233 CA PRO A 17 9.449 -4.812 1.050 1.00 0.00 C ATOM 234 C PRO A 17 9.958 -5.379 -0.270 1.00 0.00 C ATOM 235 O PRO A 17 10.893 -4.844 -0.866 1.00 0.00 O ATOM 236 CB PRO A 17 10.286 -5.337 2.217 1.00 0.00 C ATOM 237 CG PRO A 17 9.548 -6.538 2.698 1.00 0.00 C ATOM 238 CD PRO A 17 8.089 -6.243 2.483 1.00 0.00 C ATOM 0 HA PRO A 17 9.493 -3.730 0.928 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.296 -5.594 1.897 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.382 -4.589 3.004 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.851 -7.428 2.147 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.756 -6.728 3.751 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.531 -7.144 2.228 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.628 -5.824 3.378 1.00 0.00 H new ATOM 246 N ASN A 18 9.343 -6.469 -0.720 1.00 0.00 N ATOM 247 CA ASN A 18 9.731 -7.102 -1.972 1.00 0.00 C ATOM 248 C ASN A 18 8.518 -7.326 -2.867 1.00 0.00 C ATOM 249 O ASN A 18 8.536 -8.183 -3.751 1.00 0.00 O ATOM 250 CB ASN A 18 10.431 -8.434 -1.698 1.00 0.00 C ATOM 251 CG ASN A 18 11.933 -8.345 -1.878 1.00 0.00 C ATOM 252 OD1 ASN A 18 12.698 -8.622 -0.954 1.00 0.00 O ATOM 253 ND2 ASN A 18 12.364 -7.957 -3.072 1.00 0.00 N ATOM 0 H ASN A 18 8.574 -6.931 -0.235 1.00 0.00 H new ATOM 0 HA ASN A 18 10.422 -6.436 -2.488 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.208 -8.756 -0.681 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.032 -9.196 -2.368 1.00 0.00 H new ATOM 0 HD21 ASN A 18 13.365 -7.879 -3.252 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.694 -7.737 -3.809 1.00 0.00 H new ATOM 260 N CYS A 19 7.461 -6.553 -2.631 1.00 0.00 N ATOM 261 CA CYS A 19 6.241 -6.670 -3.417 1.00 0.00 C ATOM 262 C CYS A 19 6.031 -5.427 -4.275 1.00 0.00 C ATOM 263 O CYS A 19 5.442 -5.498 -5.354 1.00 0.00 O ATOM 264 CB CYS A 19 5.036 -6.882 -2.500 1.00 0.00 C ATOM 265 SG CYS A 19 4.036 -8.329 -2.916 1.00 0.00 S ATOM 0 H CYS A 19 7.427 -5.840 -1.902 1.00 0.00 H new ATOM 0 HA CYS A 19 6.341 -7.533 -4.075 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.388 -6.980 -1.473 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.404 -5.994 -2.537 1.00 0.00 H new ATOM 0 HG CYS A 19 4.460 -9.357 -2.243 1.00 0.00 H new ATOM 271 N ILE A 20 6.524 -4.293 -3.791 1.00 0.00 N ATOM 272 CA ILE A 20 6.398 -3.034 -4.516 1.00 0.00 C ATOM 273 C ILE A 20 6.834 -3.193 -5.969 1.00 0.00 C ATOM 274 O ILE A 20 6.255 -2.588 -6.871 1.00 0.00 O ATOM 275 CB ILE A 20 7.244 -1.927 -3.861 1.00 0.00 C ATOM 276 CG1 ILE A 20 7.086 -0.611 -4.627 1.00 0.00 C ATOM 277 CG2 ILE A 20 8.703 -2.348 -3.814 1.00 0.00 C ATOM 278 CD1 ILE A 20 6.790 0.579 -3.739 1.00 0.00 C ATOM 0 H ILE A 20 7.015 -4.219 -2.900 1.00 0.00 H new ATOM 0 HA ILE A 20 5.346 -2.750 -4.482 1.00 0.00 H new ATOM 0 HB ILE A 20 6.893 -1.771 -2.841 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.000 -0.416 -5.188 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.282 -0.719 -5.355 1.00 0.00 H new ATOM 0 HG21 ILE A 20 9.295 -1.559 -3.349 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.799 -3.264 -3.232 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.064 -2.523 -4.827 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.691 1.475 -4.352 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.860 0.406 -3.197 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.605 0.714 -3.028 1.00 0.00 H new ATOM 290 N GLU A 21 7.862 -4.005 -6.188 1.00 0.00 N ATOM 291 CA GLU A 21 8.370 -4.245 -7.532 1.00 0.00 C ATOM 292 C GLU A 21 7.260 -4.763 -8.441 1.00 0.00 C ATOM 293 O GLU A 21 7.119 -4.319 -9.581 1.00 0.00 O ATOM 294 CB GLU A 21 9.524 -5.247 -7.494 1.00 0.00 C ATOM 295 CG GLU A 21 9.228 -6.484 -6.661 1.00 0.00 C ATOM 296 CD GLU A 21 10.360 -6.838 -5.718 1.00 0.00 C ATOM 297 OE1 GLU A 21 10.499 -6.161 -4.678 1.00 0.00 O ATOM 298 OE2 GLU A 21 11.105 -7.795 -6.017 1.00 0.00 O ATOM 0 H GLU A 21 8.359 -4.507 -5.452 1.00 0.00 H new ATOM 0 HA GLU A 21 8.736 -3.300 -7.932 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.762 -5.553 -8.513 1.00 0.00 H new ATOM 0 HB3 GLU A 21 10.410 -4.753 -7.094 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.318 -6.319 -6.084 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.036 -7.327 -7.325 1.00 0.00 H new ATOM 305 N TYR A 22 6.473 -5.700 -7.925 1.00 0.00 N ATOM 306 CA TYR A 22 5.364 -6.266 -8.681 1.00 0.00 C ATOM 307 C TYR A 22 4.229 -5.256 -8.802 1.00 0.00 C ATOM 308 O TYR A 22 3.563 -5.171 -9.834 1.00 0.00 O ATOM 309 CB TYR A 22 4.857 -7.544 -8.007 1.00 0.00 C ATOM 310 CG TYR A 22 5.932 -8.583 -7.782 1.00 0.00 C ATOM 311 CD1 TYR A 22 6.792 -8.496 -6.695 1.00 0.00 C ATOM 312 CD2 TYR A 22 6.085 -9.654 -8.655 1.00 0.00 C ATOM 313 CE1 TYR A 22 7.775 -9.444 -6.484 1.00 0.00 C ATOM 314 CE2 TYR A 22 7.065 -10.606 -8.450 1.00 0.00 C ATOM 315 CZ TYR A 22 7.907 -10.497 -7.365 1.00 0.00 C ATOM 316 OH TYR A 22 8.885 -11.443 -7.159 1.00 0.00 O ATOM 0 H TYR A 22 6.583 -6.083 -6.986 1.00 0.00 H new ATOM 0 HA TYR A 22 5.721 -6.512 -9.681 1.00 0.00 H new ATOM 0 HB2 TYR A 22 4.409 -7.285 -7.048 1.00 0.00 H new ATOM 0 HB3 TYR A 22 4.068 -7.978 -8.620 1.00 0.00 H new ATOM 0 HD1 TYR A 22 6.691 -7.673 -6.003 1.00 0.00 H new ATOM 0 HD2 TYR A 22 5.427 -9.743 -9.507 1.00 0.00 H new ATOM 0 HE1 TYR A 22 8.436 -9.361 -5.634 1.00 0.00 H new ATOM 0 HE2 TYR A 22 7.171 -11.432 -9.137 1.00 0.00 H new ATOM 0 HH TYR A 22 8.842 -12.117 -7.869 1.00 0.00 H new ATOM 326 N PHE A 23 4.024 -4.484 -7.740 1.00 0.00 N ATOM 327 CA PHE A 23 2.979 -3.471 -7.719 1.00 0.00 C ATOM 328 C PHE A 23 3.317 -2.319 -8.659 1.00 0.00 C ATOM 329 O PHE A 23 2.497 -1.918 -9.485 1.00 0.00 O ATOM 330 CB PHE A 23 2.786 -2.947 -6.293 1.00 0.00 C ATOM 331 CG PHE A 23 1.923 -3.834 -5.441 1.00 0.00 C ATOM 332 CD1 PHE A 23 0.552 -3.878 -5.632 1.00 0.00 C ATOM 333 CD2 PHE A 23 2.484 -4.621 -4.448 1.00 0.00 C ATOM 334 CE1 PHE A 23 -0.245 -4.692 -4.850 1.00 0.00 C ATOM 335 CE2 PHE A 23 1.692 -5.437 -3.663 1.00 0.00 C ATOM 336 CZ PHE A 23 0.326 -5.474 -3.864 1.00 0.00 C ATOM 0 H PHE A 23 4.571 -4.542 -6.881 1.00 0.00 H new ATOM 0 HA PHE A 23 2.051 -3.929 -8.061 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.762 -2.839 -5.819 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.341 -1.953 -6.337 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.101 -3.269 -6.401 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.551 -4.596 -4.286 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.313 -4.717 -5.009 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.141 -6.046 -2.892 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.294 -6.112 -3.252 1.00 0.00 H new ATOM 346 N THR A 24 4.533 -1.794 -8.535 1.00 0.00 N ATOM 347 CA THR A 24 4.980 -0.688 -9.378 1.00 0.00 C ATOM 348 C THR A 24 4.716 -0.978 -10.851 1.00 0.00 C ATOM 349 O THR A 24 4.333 -0.086 -11.610 1.00 0.00 O ATOM 350 CB THR A 24 6.470 -0.424 -9.161 1.00 0.00 C ATOM 351 OG1 THR A 24 7.232 -1.583 -9.455 1.00 0.00 O ATOM 352 CG2 THR A 24 6.805 0.000 -7.749 1.00 0.00 C ATOM 0 H THR A 24 5.226 -2.116 -7.860 1.00 0.00 H new ATOM 0 HA THR A 24 4.413 0.199 -9.095 1.00 0.00 H new ATOM 0 HB THR A 24 6.719 0.395 -9.836 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.662 -2.377 -9.381 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.878 0.171 -7.665 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.271 0.920 -7.509 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.507 -0.784 -7.053 1.00 0.00 H new ATOM 360 N SER A 25 4.922 -2.229 -11.253 1.00 0.00 N ATOM 361 CA SER A 25 4.710 -2.632 -12.639 1.00 0.00 C ATOM 362 C SER A 25 3.314 -2.243 -13.119 1.00 0.00 C ATOM 363 O SER A 25 3.077 -2.109 -14.319 1.00 0.00 O ATOM 364 CB SER A 25 4.906 -4.142 -12.788 1.00 0.00 C ATOM 365 OG SER A 25 5.718 -4.442 -13.910 1.00 0.00 O ATOM 0 H SER A 25 5.235 -2.981 -10.639 1.00 0.00 H new ATOM 0 HA SER A 25 5.443 -2.111 -13.255 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.366 -4.543 -11.885 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.937 -4.629 -12.896 1.00 0.00 H new ATOM 0 HG SER A 25 5.830 -5.413 -13.983 1.00 0.00 H new ATOM 371 N GLN A 26 2.397 -2.053 -12.177 1.00 0.00 N ATOM 372 CA GLN A 26 1.026 -1.681 -12.509 1.00 0.00 C ATOM 373 C GLN A 26 0.813 -0.181 -12.334 1.00 0.00 C ATOM 374 O GLN A 26 -0.085 0.403 -12.940 1.00 0.00 O ATOM 375 CB GLN A 26 0.029 -2.446 -11.630 1.00 0.00 C ATOM 376 CG GLN A 26 0.515 -3.818 -11.184 1.00 0.00 C ATOM 377 CD GLN A 26 0.367 -4.869 -12.266 1.00 0.00 C ATOM 378 OE1 GLN A 26 -0.383 -4.689 -13.226 1.00 0.00 O ATOM 379 NE2 GLN A 26 1.081 -5.978 -12.113 1.00 0.00 N ATOM 0 H GLN A 26 2.578 -2.150 -11.178 1.00 0.00 H new ATOM 0 HA GLN A 26 0.855 -1.943 -13.553 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.194 -1.847 -10.747 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.905 -2.565 -12.179 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.562 -3.750 -10.889 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.045 -4.129 -10.302 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.690 -6.085 -11.302 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.021 -6.723 -12.807 1.00 0.00 H new ATOM 388 N GLY A 27 1.644 0.438 -11.501 1.00 0.00 N ATOM 389 CA GLY A 27 1.521 1.860 -11.253 1.00 0.00 C ATOM 390 C GLY A 27 1.196 2.161 -9.805 1.00 0.00 C ATOM 391 O GLY A 27 0.327 2.984 -9.514 1.00 0.00 O ATOM 0 H GLY A 27 2.400 -0.022 -10.994 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.452 2.357 -11.526 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.741 2.273 -11.892 1.00 0.00 H new ATOM 395 N LEU A 28 1.895 1.493 -8.894 1.00 0.00 N ATOM 396 CA LEU A 28 1.675 1.688 -7.467 1.00 0.00 C ATOM 397 C LEU A 28 2.725 2.621 -6.877 1.00 0.00 C ATOM 398 O LEU A 28 3.189 2.425 -5.754 1.00 0.00 O ATOM 399 CB LEU A 28 1.695 0.342 -6.738 1.00 0.00 C ATOM 400 CG LEU A 28 0.364 -0.070 -6.105 1.00 0.00 C ATOM 401 CD1 LEU A 28 0.115 0.713 -4.823 1.00 0.00 C ATOM 402 CD2 LEU A 28 -0.779 0.135 -7.088 1.00 0.00 C ATOM 0 H LEU A 28 2.619 0.811 -9.119 1.00 0.00 H new ATOM 0 HA LEU A 28 0.696 2.148 -7.334 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.000 -0.432 -7.443 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.455 0.380 -5.958 1.00 0.00 H new ATOM 0 HG LEU A 28 0.416 -1.129 -5.854 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.836 0.406 -4.388 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.919 0.515 -4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.084 1.779 -5.048 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.718 -0.163 -6.621 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.832 1.186 -7.370 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.607 -0.471 -7.977 1.00 0.00 H new ATOM 414 N GLN A 29 3.081 3.651 -7.637 1.00 0.00 N ATOM 415 CA GLN A 29 4.052 4.638 -7.183 1.00 0.00 C ATOM 416 C GLN A 29 3.335 5.880 -6.662 1.00 0.00 C ATOM 417 O GLN A 29 3.848 6.593 -5.801 1.00 0.00 O ATOM 418 CB GLN A 29 5.003 5.016 -8.319 1.00 0.00 C ATOM 419 CG GLN A 29 4.349 5.853 -9.407 1.00 0.00 C ATOM 420 CD GLN A 29 5.157 5.875 -10.690 1.00 0.00 C ATOM 421 OE1 GLN A 29 6.320 6.278 -10.697 1.00 0.00 O ATOM 422 NE2 GLN A 29 4.543 5.439 -11.783 1.00 0.00 N ATOM 0 H GLN A 29 2.711 3.824 -8.572 1.00 0.00 H new ATOM 0 HA GLN A 29 4.636 4.202 -6.373 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.848 5.568 -7.906 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.404 4.105 -8.764 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.354 5.459 -9.615 1.00 0.00 H new ATOM 0 HG3 GLN A 29 4.219 6.873 -9.046 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.578 5.114 -11.730 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.037 5.429 -12.676 1.00 0.00 H new ATOM 431 N SER A 30 2.133 6.118 -7.181 1.00 0.00 N ATOM 432 CA SER A 30 1.317 7.244 -6.749 1.00 0.00 C ATOM 433 C SER A 30 0.095 6.746 -5.994 1.00 0.00 C ATOM 434 O SER A 30 -0.825 6.190 -6.591 1.00 0.00 O ATOM 435 CB SER A 30 0.885 8.086 -7.952 1.00 0.00 C ATOM 436 OG SER A 30 1.742 7.872 -9.059 1.00 0.00 O ATOM 0 H SER A 30 1.703 5.542 -7.905 1.00 0.00 H new ATOM 0 HA SER A 30 1.913 7.869 -6.084 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.139 7.834 -8.227 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.892 9.142 -7.682 1.00 0.00 H new ATOM 0 HG SER A 30 1.443 8.420 -9.815 1.00 0.00 H new ATOM 442 N ILE A 31 0.095 6.930 -4.675 1.00 0.00 N ATOM 443 CA ILE A 31 -1.011 6.469 -3.841 1.00 0.00 C ATOM 444 C ILE A 31 -2.361 6.816 -4.472 1.00 0.00 C ATOM 445 O ILE A 31 -3.348 6.103 -4.288 1.00 0.00 O ATOM 446 CB ILE A 31 -0.927 7.041 -2.408 1.00 0.00 C ATOM 447 CG1 ILE A 31 -1.749 6.173 -1.454 1.00 0.00 C ATOM 448 CG2 ILE A 31 -1.397 8.490 -2.356 1.00 0.00 C ATOM 449 CD1 ILE A 31 -0.925 5.531 -0.361 1.00 0.00 C ATOM 0 H ILE A 31 0.846 7.393 -4.163 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.927 5.384 -3.774 1.00 0.00 H new ATOM 0 HB ILE A 31 0.117 7.026 -2.095 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.528 6.785 -0.999 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.250 5.392 -2.026 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.324 8.860 -1.333 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.771 9.099 -3.007 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.433 8.549 -2.690 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.573 4.930 0.278 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.163 4.893 -0.807 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.445 6.306 0.236 1.00 0.00 H new ATOM 461 N TYR A 32 -2.383 7.904 -5.234 1.00 0.00 N ATOM 462 CA TYR A 32 -3.594 8.333 -5.920 1.00 0.00 C ATOM 463 C TYR A 32 -4.147 7.207 -6.789 1.00 0.00 C ATOM 464 O TYR A 32 -5.331 7.196 -7.129 1.00 0.00 O ATOM 465 CB TYR A 32 -3.309 9.562 -6.785 1.00 0.00 C ATOM 466 CG TYR A 32 -3.058 10.822 -5.989 1.00 0.00 C ATOM 467 CD1 TYR A 32 -4.113 11.612 -5.551 1.00 0.00 C ATOM 468 CD2 TYR A 32 -1.764 11.226 -5.681 1.00 0.00 C ATOM 469 CE1 TYR A 32 -3.888 12.766 -4.826 1.00 0.00 C ATOM 470 CE2 TYR A 32 -1.531 12.379 -4.956 1.00 0.00 C ATOM 471 CZ TYR A 32 -2.596 13.145 -4.531 1.00 0.00 C ATOM 472 OH TYR A 32 -2.367 14.293 -3.808 1.00 0.00 O ATOM 0 H TYR A 32 -1.574 8.505 -5.392 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.338 8.593 -5.167 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.441 9.360 -7.412 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -4.153 9.728 -7.454 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -5.127 11.319 -5.781 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.928 10.629 -6.014 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.720 13.368 -4.492 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.520 12.679 -4.723 1.00 0.00 H new ATOM 0 HH TYR A 32 -1.402 14.416 -3.686 1.00 0.00 H new ATOM 482 N HIS A 33 -3.280 6.265 -7.155 1.00 0.00 N ATOM 483 CA HIS A 33 -3.682 5.137 -7.985 1.00 0.00 C ATOM 484 C HIS A 33 -4.287 4.027 -7.133 1.00 0.00 C ATOM 485 O HIS A 33 -5.089 3.227 -7.616 1.00 0.00 O ATOM 486 CB HIS A 33 -2.481 4.600 -8.763 1.00 0.00 C ATOM 487 CG HIS A 33 -2.831 4.079 -10.122 1.00 0.00 C ATOM 488 ND1 HIS A 33 -3.137 4.900 -11.188 1.00 0.00 N ATOM 489 CD2 HIS A 33 -2.922 2.811 -10.589 1.00 0.00 C ATOM 490 CE1 HIS A 33 -3.402 4.160 -12.251 1.00 0.00 C ATOM 491 NE2 HIS A 33 -3.278 2.890 -11.913 1.00 0.00 N ATOM 0 H HIS A 33 -2.295 6.263 -6.889 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.438 5.484 -8.689 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.742 5.394 -8.867 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.013 3.802 -8.187 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.747 1.906 -10.025 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -3.673 4.531 -13.228 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -3.423 2.095 -12.535 1.00 0.00 H new ATOM 500 N LEU A 34 -3.894 3.982 -5.865 1.00 0.00 N ATOM 501 CA LEU A 34 -4.405 2.976 -4.944 1.00 0.00 C ATOM 502 C LEU A 34 -5.364 3.590 -3.930 1.00 0.00 C ATOM 503 O LEU A 34 -5.629 3.010 -2.877 1.00 0.00 O ATOM 504 CB LEU A 34 -3.251 2.303 -4.216 1.00 0.00 C ATOM 505 CG LEU A 34 -2.075 3.224 -3.882 1.00 0.00 C ATOM 506 CD1 LEU A 34 -1.296 2.683 -2.692 1.00 0.00 C ATOM 507 CD2 LEU A 34 -1.163 3.386 -5.089 1.00 0.00 C ATOM 0 H LEU A 34 -3.223 4.630 -5.452 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.952 2.235 -5.526 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.628 1.869 -3.290 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.886 1.479 -4.828 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.470 4.205 -3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.464 3.350 -2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.954 2.620 -1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.912 1.691 -2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.333 4.044 -4.832 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.775 2.411 -5.385 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.727 3.819 -5.915 1.00 0.00 H new ATOM 519 N GLN A 35 -5.872 4.768 -4.256 1.00 0.00 N ATOM 520 CA GLN A 35 -6.807 5.473 -3.393 1.00 0.00 C ATOM 521 C GLN A 35 -8.057 4.650 -3.156 1.00 0.00 C ATOM 522 O GLN A 35 -8.580 4.581 -2.043 1.00 0.00 O ATOM 523 CB GLN A 35 -7.206 6.788 -4.057 1.00 0.00 C ATOM 524 CG GLN A 35 -6.365 7.965 -3.626 1.00 0.00 C ATOM 525 CD GLN A 35 -7.062 8.843 -2.606 1.00 0.00 C ATOM 526 OE1 GLN A 35 -7.722 9.821 -2.958 1.00 0.00 O ATOM 527 NE2 GLN A 35 -6.920 8.498 -1.331 1.00 0.00 N ATOM 0 H GLN A 35 -5.650 5.260 -5.121 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.320 5.656 -2.435 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.131 6.676 -5.139 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.251 6.997 -3.830 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.428 7.601 -3.205 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.111 8.564 -4.501 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.364 7.680 -1.083 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.367 9.052 -0.600 1.00 0.00 H new ATOM 536 N ASN A 36 -8.552 4.076 -4.234 1.00 0.00 N ATOM 537 CA ASN A 36 -9.790 3.303 -4.204 1.00 0.00 C ATOM 538 C ASN A 36 -9.533 1.804 -4.247 1.00 0.00 C ATOM 539 O ASN A 36 -10.409 1.007 -3.915 1.00 0.00 O ATOM 540 CB ASN A 36 -10.681 3.710 -5.376 1.00 0.00 C ATOM 541 CG ASN A 36 -9.903 4.017 -6.634 1.00 0.00 C ATOM 542 OD1 ASN A 36 -9.790 3.188 -7.538 1.00 0.00 O ATOM 543 ND2 ASN A 36 -9.353 5.221 -6.684 1.00 0.00 N ATOM 0 H ASN A 36 -8.115 4.128 -5.154 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.291 3.522 -3.261 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -11.390 2.908 -5.581 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -11.264 4.586 -5.094 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.806 5.498 -7.499 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -9.477 5.871 -5.908 1.00 0.00 H new ATOM 550 N LEU A 37 -8.325 1.425 -4.637 1.00 0.00 N ATOM 551 CA LEU A 37 -7.964 0.009 -4.740 1.00 0.00 C ATOM 552 C LEU A 37 -8.449 -0.784 -3.529 1.00 0.00 C ATOM 553 O LEU A 37 -8.612 -0.238 -2.438 1.00 0.00 O ATOM 554 CB LEU A 37 -6.450 -0.158 -4.878 1.00 0.00 C ATOM 555 CG LEU A 37 -6.016 -1.447 -5.579 1.00 0.00 C ATOM 556 CD1 LEU A 37 -6.540 -1.483 -7.005 1.00 0.00 C ATOM 557 CD2 LEU A 37 -4.503 -1.588 -5.557 1.00 0.00 C ATOM 0 H LEU A 37 -7.577 2.071 -4.888 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.455 -0.381 -5.632 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.052 0.693 -5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.002 -0.131 -3.885 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.443 -2.291 -5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.221 -2.407 -7.487 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.629 -1.437 -6.994 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.147 -0.631 -7.559 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.216 -2.511 -6.061 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.051 -0.739 -6.070 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.155 -1.615 -4.524 1.00 0.00 H new ATOM 569 N THR A 38 -8.673 -2.078 -3.735 1.00 0.00 N ATOM 570 CA THR A 38 -9.133 -2.959 -2.667 1.00 0.00 C ATOM 571 C THR A 38 -8.441 -4.310 -2.747 1.00 0.00 C ATOM 572 O THR A 38 -7.662 -4.565 -3.665 1.00 0.00 O ATOM 573 CB THR A 38 -10.645 -3.170 -2.764 1.00 0.00 C ATOM 574 OG1 THR A 38 -11.222 -2.252 -3.677 1.00 0.00 O ATOM 575 CG2 THR A 38 -11.355 -3.014 -1.439 1.00 0.00 C ATOM 0 H THR A 38 -8.543 -2.541 -4.635 1.00 0.00 H new ATOM 0 HA THR A 38 -8.889 -2.485 -1.716 1.00 0.00 H new ATOM 0 HB THR A 38 -10.774 -4.197 -3.106 1.00 0.00 H new ATOM 0 HG1 THR A 38 -12.189 -2.404 -3.726 1.00 0.00 H new ATOM 0 HG21 THR A 38 -12.424 -3.176 -1.578 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.966 -3.745 -0.730 1.00 0.00 H new ATOM 0 HG23 THR A 38 -11.188 -2.009 -1.053 1.00 0.00 H new ATOM 583 N ILE A 39 -8.762 -5.186 -1.805 1.00 0.00 N ATOM 584 CA ILE A 39 -8.224 -6.534 -1.819 1.00 0.00 C ATOM 585 C ILE A 39 -8.678 -7.246 -3.083 1.00 0.00 C ATOM 586 O ILE A 39 -7.957 -8.065 -3.652 1.00 0.00 O ATOM 587 CB ILE A 39 -8.673 -7.340 -0.587 1.00 0.00 C ATOM 588 CG1 ILE A 39 -7.932 -8.677 -0.528 1.00 0.00 C ATOM 589 CG2 ILE A 39 -10.178 -7.563 -0.608 1.00 0.00 C ATOM 590 CD1 ILE A 39 -6.464 -8.541 -0.187 1.00 0.00 C ATOM 0 H ILE A 39 -9.389 -4.986 -1.026 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.137 -6.462 -1.795 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.427 -6.767 0.307 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.411 -9.316 0.214 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.028 -9.179 -1.491 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.473 -8.135 0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.689 -6.600 -0.603 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.452 -8.114 -1.508 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.003 -9.528 -0.163 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.970 -7.929 -0.942 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.360 -8.068 0.789 1.00 0.00 H new ATOM 602 N GLU A 40 -9.879 -6.891 -3.526 1.00 0.00 N ATOM 603 CA GLU A 40 -10.455 -7.461 -4.735 1.00 0.00 C ATOM 604 C GLU A 40 -9.532 -7.238 -5.929 1.00 0.00 C ATOM 605 O GLU A 40 -9.267 -8.159 -6.703 1.00 0.00 O ATOM 606 CB GLU A 40 -11.826 -6.842 -5.012 1.00 0.00 C ATOM 607 CG GLU A 40 -12.834 -7.073 -3.897 1.00 0.00 C ATOM 608 CD GLU A 40 -13.598 -8.373 -4.062 1.00 0.00 C ATOM 609 OE1 GLU A 40 -12.986 -9.447 -3.884 1.00 0.00 O ATOM 610 OE2 GLU A 40 -14.807 -8.316 -4.371 1.00 0.00 O ATOM 0 H GLU A 40 -10.475 -6.206 -3.061 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.574 -8.534 -4.583 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.707 -5.770 -5.166 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.222 -7.256 -5.940 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.315 -7.080 -2.939 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.539 -6.242 -3.872 1.00 0.00 H new ATOM 617 N ASP A 41 -9.044 -6.009 -6.070 1.00 0.00 N ATOM 618 CA ASP A 41 -8.146 -5.664 -7.166 1.00 0.00 C ATOM 619 C ASP A 41 -6.707 -6.040 -6.826 1.00 0.00 C ATOM 620 O ASP A 41 -5.921 -6.388 -7.708 1.00 0.00 O ATOM 621 CB ASP A 41 -8.235 -4.169 -7.476 1.00 0.00 C ATOM 622 CG ASP A 41 -9.123 -3.879 -8.670 1.00 0.00 C ATOM 623 OD1 ASP A 41 -9.788 -4.816 -9.157 1.00 0.00 O ATOM 624 OD2 ASP A 41 -9.152 -2.713 -9.119 1.00 0.00 O ATOM 0 H ASP A 41 -9.256 -5.236 -5.439 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.453 -6.228 -8.047 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.620 -3.642 -6.603 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.235 -3.780 -7.667 1.00 0.00 H new ATOM 629 N LEU A 42 -6.371 -5.972 -5.541 1.00 0.00 N ATOM 630 CA LEU A 42 -5.031 -6.317 -5.076 1.00 0.00 C ATOM 631 C LEU A 42 -4.610 -7.672 -5.632 1.00 0.00 C ATOM 632 O LEU A 42 -3.521 -7.819 -6.188 1.00 0.00 O ATOM 633 CB LEU A 42 -4.995 -6.355 -3.540 1.00 0.00 C ATOM 634 CG LEU A 42 -4.975 -5.000 -2.797 1.00 0.00 C ATOM 635 CD1 LEU A 42 -3.728 -4.895 -1.934 1.00 0.00 C ATOM 636 CD2 LEU A 42 -5.056 -3.807 -3.745 1.00 0.00 C ATOM 0 H LEU A 42 -7.010 -5.680 -4.801 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.336 -5.556 -5.431 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.864 -6.915 -3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.112 -6.919 -3.237 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.864 -4.970 -2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.724 -3.936 -1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.722 -5.703 -1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.842 -4.970 -2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.038 -2.882 -3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.206 -3.826 -4.427 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.982 -3.860 -4.318 1.00 0.00 H new ATOM 648 N GLY A 43 -5.490 -8.654 -5.479 1.00 0.00 N ATOM 649 CA GLY A 43 -5.217 -9.986 -5.989 1.00 0.00 C ATOM 650 C GLY A 43 -5.296 -10.053 -7.501 1.00 0.00 C ATOM 651 O GLY A 43 -4.785 -10.989 -8.114 1.00 0.00 O ATOM 0 H GLY A 43 -6.390 -8.552 -5.010 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.224 -10.300 -5.665 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.930 -10.690 -5.559 1.00 0.00 H new ATOM 655 N ALA A 44 -5.942 -9.058 -8.101 1.00 0.00 N ATOM 656 CA ALA A 44 -6.068 -8.998 -9.551 1.00 0.00 C ATOM 657 C ALA A 44 -4.696 -8.891 -10.198 1.00 0.00 C ATOM 658 O ALA A 44 -4.438 -9.489 -11.243 1.00 0.00 O ATOM 659 CB ALA A 44 -6.945 -7.825 -9.955 1.00 0.00 C ATOM 0 H ALA A 44 -6.385 -8.284 -7.606 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.540 -9.917 -9.900 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.031 -7.792 -11.041 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.936 -7.943 -9.516 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.499 -6.897 -9.598 1.00 0.00 H new ATOM 665 N LEU A 45 -3.813 -8.134 -9.557 1.00 0.00 N ATOM 666 CA LEU A 45 -2.456 -7.954 -10.044 1.00 0.00 C ATOM 667 C LEU A 45 -1.804 -9.294 -10.355 1.00 0.00 C ATOM 668 O LEU A 45 -0.923 -9.383 -11.208 1.00 0.00 O ATOM 669 CB LEU A 45 -1.636 -7.209 -8.997 1.00 0.00 C ATOM 670 CG LEU A 45 -1.870 -5.700 -8.954 1.00 0.00 C ATOM 671 CD1 LEU A 45 -3.347 -5.391 -8.760 1.00 0.00 C ATOM 672 CD2 LEU A 45 -1.045 -5.066 -7.848 1.00 0.00 C ATOM 0 H LEU A 45 -4.018 -7.633 -8.693 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.492 -7.373 -10.966 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.862 -7.626 -8.015 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.578 -7.393 -9.186 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.554 -5.277 -9.908 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.492 -4.311 -8.732 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.919 -5.813 -9.587 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.690 -5.828 -7.822 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.224 -3.991 -7.831 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.331 -5.496 -6.888 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.013 -5.255 -8.029 1.00 0.00 H new ATOM 684 N LYS A 46 -2.258 -10.327 -9.658 1.00 0.00 N ATOM 685 CA LYS A 46 -1.733 -11.684 -9.810 1.00 0.00 C ATOM 686 C LYS A 46 -0.478 -11.879 -8.956 1.00 0.00 C ATOM 687 O LYS A 46 0.309 -12.797 -9.189 1.00 0.00 O ATOM 688 CB LYS A 46 -1.481 -12.025 -11.297 1.00 0.00 C ATOM 689 CG LYS A 46 -0.052 -11.812 -11.794 1.00 0.00 C ATOM 690 CD LYS A 46 0.659 -13.135 -12.033 1.00 0.00 C ATOM 691 CE LYS A 46 0.027 -13.907 -13.180 1.00 0.00 C ATOM 692 NZ LYS A 46 0.929 -14.973 -13.697 1.00 0.00 N ATOM 0 H LYS A 46 -3.004 -10.250 -8.967 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.486 -12.384 -9.448 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.752 -13.068 -11.462 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.152 -11.421 -11.908 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.070 -11.235 -12.719 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.505 -11.226 -11.063 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.710 -12.950 -12.253 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.625 -13.737 -11.125 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.908 -14.355 -12.844 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.221 -13.218 -13.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.461 -15.476 -14.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.812 -14.544 -14.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.146 -15.645 -12.933 1.00 0.00 H new ATOM 706 N ILE A 47 -0.306 -11.015 -7.958 1.00 0.00 N ATOM 707 CA ILE A 47 0.837 -11.107 -7.055 1.00 0.00 C ATOM 708 C ILE A 47 0.547 -12.087 -5.919 1.00 0.00 C ATOM 709 O ILE A 47 -0.552 -12.092 -5.363 1.00 0.00 O ATOM 710 CB ILE A 47 1.202 -9.733 -6.455 1.00 0.00 C ATOM 711 CG1 ILE A 47 1.020 -8.624 -7.494 1.00 0.00 C ATOM 712 CG2 ILE A 47 2.632 -9.745 -5.937 1.00 0.00 C ATOM 713 CD1 ILE A 47 1.297 -7.237 -6.957 1.00 0.00 C ATOM 0 H ILE A 47 -0.943 -10.245 -7.755 1.00 0.00 H new ATOM 0 HA ILE A 47 1.681 -11.465 -7.644 1.00 0.00 H new ATOM 0 HB ILE A 47 0.530 -9.533 -5.620 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.683 -8.816 -8.338 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.000 -8.659 -7.875 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.875 -8.769 -5.517 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.733 -10.508 -5.165 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.314 -9.967 -6.758 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.148 -6.504 -7.749 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.617 -7.024 -6.132 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.326 -7.183 -6.602 1.00 0.00 H new ATOM 725 N PRO A 48 1.524 -12.939 -5.565 1.00 0.00 N ATOM 726 CA PRO A 48 1.361 -13.924 -4.495 1.00 0.00 C ATOM 727 C PRO A 48 0.633 -13.354 -3.282 1.00 0.00 C ATOM 728 O PRO A 48 0.871 -12.215 -2.881 1.00 0.00 O ATOM 729 CB PRO A 48 2.801 -14.284 -4.142 1.00 0.00 C ATOM 730 CG PRO A 48 3.544 -14.126 -5.425 1.00 0.00 C ATOM 731 CD PRO A 48 2.866 -13.007 -6.174 1.00 0.00 C ATOM 0 HA PRO A 48 0.755 -14.775 -4.805 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.198 -13.626 -3.369 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.875 -15.303 -3.762 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.592 -13.891 -5.240 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.522 -15.050 -6.003 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.405 -12.066 -6.061 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.810 -13.217 -7.242 1.00 0.00 H new ATOM 739 N GLU A 49 -0.257 -14.153 -2.704 1.00 0.00 N ATOM 740 CA GLU A 49 -1.027 -13.726 -1.541 1.00 0.00 C ATOM 741 C GLU A 49 -0.168 -13.725 -0.282 1.00 0.00 C ATOM 742 O GLU A 49 -0.454 -14.441 0.677 1.00 0.00 O ATOM 743 CB GLU A 49 -2.239 -14.638 -1.343 1.00 0.00 C ATOM 744 CG GLU A 49 -3.216 -14.130 -0.295 1.00 0.00 C ATOM 745 CD GLU A 49 -4.573 -14.799 -0.389 1.00 0.00 C ATOM 746 OE1 GLU A 49 -4.925 -15.278 -1.488 1.00 0.00 O ATOM 747 OE2 GLU A 49 -5.284 -14.846 0.636 1.00 0.00 O ATOM 0 H GLU A 49 -0.463 -15.100 -3.022 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.370 -12.707 -1.722 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.762 -14.746 -2.293 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.893 -15.631 -1.055 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.799 -14.300 0.698 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.338 -13.053 -0.409 1.00 0.00 H new ATOM 754 N GLN A 50 0.885 -12.913 -0.290 1.00 0.00 N ATOM 755 CA GLN A 50 1.777 -12.810 0.858 1.00 0.00 C ATOM 756 C GLN A 50 1.235 -11.806 1.871 1.00 0.00 C ATOM 757 O GLN A 50 1.093 -12.116 3.053 1.00 0.00 O ATOM 758 CB GLN A 50 3.179 -12.394 0.408 1.00 0.00 C ATOM 759 CG GLN A 50 3.681 -13.161 -0.803 1.00 0.00 C ATOM 760 CD GLN A 50 4.435 -12.284 -1.779 1.00 0.00 C ATOM 761 OE1 GLN A 50 4.120 -11.106 -1.946 1.00 0.00 O ATOM 762 NE2 GLN A 50 5.442 -12.857 -2.424 1.00 0.00 N ATOM 0 H GLN A 50 1.140 -12.318 -1.078 1.00 0.00 H new ATOM 0 HA GLN A 50 1.835 -13.789 1.334 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.176 -11.329 0.178 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.875 -12.540 1.234 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.331 -13.970 -0.471 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.835 -13.621 -1.313 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.666 -13.837 -2.252 1.00 0.00 H new ATOM 0 HE22 GLN A 50 5.993 -12.317 -3.092 1.00 0.00 H new ATOM 771 N TYR A 51 0.929 -10.604 1.395 1.00 0.00 N ATOM 772 CA TYR A 51 0.392 -9.554 2.251 1.00 0.00 C ATOM 773 C TYR A 51 -0.703 -8.777 1.528 1.00 0.00 C ATOM 774 O TYR A 51 -0.827 -7.564 1.690 1.00 0.00 O ATOM 775 CB TYR A 51 1.505 -8.598 2.689 1.00 0.00 C ATOM 776 CG TYR A 51 2.848 -9.267 2.872 1.00 0.00 C ATOM 777 CD1 TYR A 51 3.698 -9.468 1.790 1.00 0.00 C ATOM 778 CD2 TYR A 51 3.268 -9.697 4.125 1.00 0.00 C ATOM 779 CE1 TYR A 51 4.926 -10.079 1.953 1.00 0.00 C ATOM 780 CE2 TYR A 51 4.495 -10.308 4.294 1.00 0.00 C ATOM 781 CZ TYR A 51 5.321 -10.497 3.206 1.00 0.00 C ATOM 782 OH TYR A 51 6.544 -11.105 3.372 1.00 0.00 O ATOM 0 H TYR A 51 1.044 -10.333 0.419 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.038 -10.025 3.135 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.603 -7.805 1.947 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.215 -8.123 3.627 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.393 -9.141 0.807 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.625 -9.551 4.980 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.574 -10.229 1.102 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.806 -10.637 5.275 1.00 0.00 H new ATOM 0 HH TYR A 51 6.669 -11.337 4.316 1.00 0.00 H new ATOM 792 N ARG A 52 -1.485 -9.485 0.719 1.00 0.00 N ATOM 793 CA ARG A 52 -2.562 -8.864 -0.039 1.00 0.00 C ATOM 794 C ARG A 52 -3.575 -8.203 0.889 1.00 0.00 C ATOM 795 O ARG A 52 -3.892 -7.024 0.736 1.00 0.00 O ATOM 796 CB ARG A 52 -3.257 -9.912 -0.908 1.00 0.00 C ATOM 797 CG ARG A 52 -3.417 -9.495 -2.360 1.00 0.00 C ATOM 798 CD ARG A 52 -3.155 -10.659 -3.299 1.00 0.00 C ATOM 799 NE ARG A 52 -4.312 -11.542 -3.407 1.00 0.00 N ATOM 800 CZ ARG A 52 -4.393 -12.552 -4.267 1.00 0.00 C ATOM 801 NH1 ARG A 52 -3.388 -12.801 -5.095 1.00 0.00 N ATOM 802 NH2 ARG A 52 -5.479 -13.311 -4.301 1.00 0.00 N ATOM 0 H ARG A 52 -1.392 -10.490 0.572 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.131 -8.092 -0.677 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.687 -10.840 -0.867 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.241 -10.123 -0.490 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.425 -9.114 -2.522 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.728 -8.681 -2.585 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.896 -10.278 -4.287 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.296 -11.228 -2.942 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.104 -11.374 -2.787 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.552 -12.217 -5.072 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.451 -13.576 -5.755 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.254 -13.120 -3.666 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.539 -14.086 -4.962 1.00 0.00 H new ATOM 816 N MET A 53 -4.078 -8.968 1.851 1.00 0.00 N ATOM 817 CA MET A 53 -5.055 -8.451 2.803 1.00 0.00 C ATOM 818 C MET A 53 -4.477 -7.281 3.592 1.00 0.00 C ATOM 819 O MET A 53 -5.159 -6.285 3.833 1.00 0.00 O ATOM 820 CB MET A 53 -5.508 -9.556 3.760 1.00 0.00 C ATOM 821 CG MET A 53 -4.382 -10.475 4.211 1.00 0.00 C ATOM 822 SD MET A 53 -4.801 -11.408 5.695 1.00 0.00 S ATOM 823 CE MET A 53 -3.663 -10.690 6.877 1.00 0.00 C ATOM 0 H MET A 53 -3.826 -9.946 1.993 1.00 0.00 H new ATOM 0 HA MET A 53 -5.919 -8.096 2.241 1.00 0.00 H new ATOM 0 HB2 MET A 53 -5.966 -9.099 4.638 1.00 0.00 H new ATOM 0 HB3 MET A 53 -6.279 -10.153 3.273 1.00 0.00 H new ATOM 0 HG2 MET A 53 -4.140 -11.169 3.406 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.487 -9.882 4.400 1.00 0.00 H new ATOM 0 HE1 MET A 53 -3.800 -11.165 7.849 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.639 -10.847 6.538 1.00 0.00 H new ATOM 0 HE3 MET A 53 -3.856 -9.621 6.965 1.00 0.00 H new ATOM 833 N THR A 54 -3.214 -7.406 3.992 1.00 0.00 N ATOM 834 CA THR A 54 -2.543 -6.352 4.743 1.00 0.00 C ATOM 835 C THR A 54 -2.516 -5.057 3.941 1.00 0.00 C ATOM 836 O THR A 54 -2.832 -3.986 4.457 1.00 0.00 O ATOM 837 CB THR A 54 -1.116 -6.773 5.099 1.00 0.00 C ATOM 838 OG1 THR A 54 -1.128 -7.890 5.972 1.00 0.00 O ATOM 839 CG2 THR A 54 -0.315 -5.676 5.766 1.00 0.00 C ATOM 0 H THR A 54 -2.636 -8.226 3.808 1.00 0.00 H new ATOM 0 HA THR A 54 -3.101 -6.183 5.664 1.00 0.00 H new ATOM 0 HB THR A 54 -0.641 -7.018 4.149 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.207 -8.147 6.188 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.687 -6.042 5.991 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.246 -4.818 5.097 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.808 -5.376 6.691 1.00 0.00 H new ATOM 847 N ILE A 55 -2.134 -5.167 2.673 1.00 0.00 N ATOM 848 CA ILE A 55 -2.076 -4.009 1.793 1.00 0.00 C ATOM 849 C ILE A 55 -3.444 -3.339 1.695 1.00 0.00 C ATOM 850 O ILE A 55 -3.562 -2.122 1.838 1.00 0.00 O ATOM 851 CB ILE A 55 -1.590 -4.402 0.384 1.00 0.00 C ATOM 852 CG1 ILE A 55 -0.192 -5.018 0.458 1.00 0.00 C ATOM 853 CG2 ILE A 55 -1.590 -3.194 -0.544 1.00 0.00 C ATOM 854 CD1 ILE A 55 0.089 -6.014 -0.645 1.00 0.00 C ATOM 0 H ILE A 55 -1.861 -6.046 2.234 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.362 -3.306 2.223 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.278 -5.144 -0.022 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.550 -4.221 0.414 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.072 -5.512 1.422 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.243 -3.495 -1.533 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.601 -2.794 -0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.926 -2.428 -0.144 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.098 -6.410 -0.529 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.630 -6.831 -0.589 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.002 -5.520 -1.613 1.00 0.00 H new ATOM 866 N TRP A 56 -4.475 -4.145 1.466 1.00 0.00 N ATOM 867 CA TRP A 56 -5.839 -3.638 1.376 1.00 0.00 C ATOM 868 C TRP A 56 -6.200 -2.859 2.640 1.00 0.00 C ATOM 869 O TRP A 56 -6.516 -1.672 2.582 1.00 0.00 O ATOM 870 CB TRP A 56 -6.810 -4.810 1.161 1.00 0.00 C ATOM 871 CG TRP A 56 -8.248 -4.483 1.438 1.00 0.00 C ATOM 872 CD1 TRP A 56 -8.958 -3.425 0.952 1.00 0.00 C ATOM 873 CD2 TRP A 56 -9.146 -5.220 2.274 1.00 0.00 C ATOM 874 NE1 TRP A 56 -10.245 -3.462 1.433 1.00 0.00 N ATOM 875 CE2 TRP A 56 -10.383 -4.552 2.245 1.00 0.00 C ATOM 876 CE3 TRP A 56 -9.026 -6.380 3.044 1.00 0.00 C ATOM 877 CZ2 TRP A 56 -11.490 -5.001 2.951 1.00 0.00 C ATOM 878 CZ3 TRP A 56 -10.128 -6.829 3.748 1.00 0.00 C ATOM 879 CH2 TRP A 56 -11.348 -6.140 3.697 1.00 0.00 C ATOM 0 H TRP A 56 -4.392 -5.154 1.339 1.00 0.00 H new ATOM 0 HA TRP A 56 -5.916 -2.958 0.528 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -6.721 -5.156 0.131 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -6.508 -5.638 1.802 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -8.567 -2.669 0.287 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -10.978 -2.786 1.219 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -8.089 -6.916 3.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -12.430 -4.471 2.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -10.048 -7.724 4.347 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -12.192 -6.515 4.257 1.00 0.00 H new ATOM 890 N ARG A 57 -6.139 -3.540 3.780 1.00 0.00 N ATOM 891 CA ARG A 57 -6.460 -2.926 5.065 1.00 0.00 C ATOM 892 C ARG A 57 -5.767 -1.575 5.219 1.00 0.00 C ATOM 893 O ARG A 57 -6.348 -0.625 5.741 1.00 0.00 O ATOM 894 CB ARG A 57 -6.051 -3.854 6.211 1.00 0.00 C ATOM 895 CG ARG A 57 -6.544 -5.283 6.042 1.00 0.00 C ATOM 896 CD ARG A 57 -7.568 -5.651 7.106 1.00 0.00 C ATOM 897 NE ARG A 57 -7.249 -6.917 7.759 1.00 0.00 N ATOM 898 CZ ARG A 57 -8.135 -7.635 8.443 1.00 0.00 C ATOM 899 NH1 ARG A 57 -9.386 -7.213 8.560 1.00 0.00 N ATOM 900 NH2 ARG A 57 -7.769 -8.777 9.011 1.00 0.00 N ATOM 0 H ARG A 57 -5.869 -4.522 3.840 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.537 -2.764 5.100 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.964 -3.861 6.292 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.438 -3.453 7.148 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.987 -5.401 5.053 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.699 -5.969 6.097 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.614 -4.859 7.854 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.556 -5.717 6.650 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.295 -7.270 7.687 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.671 -6.336 8.125 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.064 -7.766 9.085 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.807 -9.105 8.923 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.449 -9.327 9.535 1.00 0.00 H new ATOM 914 N GLY A 58 -4.523 -1.500 4.764 1.00 0.00 N ATOM 915 CA GLY A 58 -3.776 -0.261 4.847 1.00 0.00 C ATOM 916 C GLY A 58 -4.230 0.746 3.810 1.00 0.00 C ATOM 917 O GLY A 58 -4.109 1.954 4.011 1.00 0.00 O ATOM 0 H GLY A 58 -4.018 -2.277 4.338 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.893 0.167 5.843 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.714 -0.468 4.711 1.00 0.00 H new ATOM 921 N LEU A 59 -4.763 0.242 2.702 1.00 0.00 N ATOM 922 CA LEU A 59 -5.252 1.097 1.632 1.00 0.00 C ATOM 923 C LEU A 59 -6.619 1.673 1.982 1.00 0.00 C ATOM 924 O LEU A 59 -6.932 2.810 1.632 1.00 0.00 O ATOM 925 CB LEU A 59 -5.331 0.309 0.322 1.00 0.00 C ATOM 926 CG LEU A 59 -4.378 0.777 -0.779 1.00 0.00 C ATOM 927 CD1 LEU A 59 -3.000 1.084 -0.208 1.00 0.00 C ATOM 928 CD2 LEU A 59 -4.278 -0.276 -1.874 1.00 0.00 C ATOM 0 H LEU A 59 -4.866 -0.757 2.523 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.553 1.924 1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.127 -0.740 0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.352 0.365 -0.056 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.778 1.694 -1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.340 1.415 -1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.084 1.871 0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.589 0.186 0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.596 0.071 -2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.902 -1.207 -1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.264 -0.446 -2.306 1.00 0.00 H new ATOM 940 N GLN A 60 -7.429 0.880 2.678 1.00 0.00 N ATOM 941 CA GLN A 60 -8.754 1.325 3.092 1.00 0.00 C ATOM 942 C GLN A 60 -8.637 2.390 4.175 1.00 0.00 C ATOM 943 O GLN A 60 -9.503 3.255 4.310 1.00 0.00 O ATOM 944 CB GLN A 60 -9.581 0.144 3.601 1.00 0.00 C ATOM 945 CG GLN A 60 -8.910 -0.626 4.725 1.00 0.00 C ATOM 946 CD GLN A 60 -9.773 -1.752 5.259 1.00 0.00 C ATOM 947 OE1 GLN A 60 -10.386 -1.630 6.319 1.00 0.00 O ATOM 948 NE2 GLN A 60 -9.825 -2.857 4.524 1.00 0.00 N ATOM 0 H GLN A 60 -7.192 -0.069 2.966 1.00 0.00 H new ATOM 0 HA GLN A 60 -9.260 1.756 2.228 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -10.547 0.510 3.948 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -9.777 -0.536 2.772 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.966 -1.036 4.366 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -8.671 0.060 5.538 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.300 -2.914 3.651 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.390 -3.648 4.832 1.00 0.00 H new ATOM 957 N ASP A 61 -7.550 2.326 4.939 1.00 0.00 N ATOM 958 CA ASP A 61 -7.300 3.293 5.999 1.00 0.00 C ATOM 959 C ASP A 61 -7.065 4.679 5.412 1.00 0.00 C ATOM 960 O ASP A 61 -7.351 5.694 6.050 1.00 0.00 O ATOM 961 CB ASP A 61 -6.088 2.866 6.829 1.00 0.00 C ATOM 962 CG ASP A 61 -6.345 2.956 8.321 1.00 0.00 C ATOM 963 OD1 ASP A 61 -6.759 4.038 8.787 1.00 0.00 O ATOM 964 OD2 ASP A 61 -6.133 1.945 9.022 1.00 0.00 O ATOM 0 H ASP A 61 -6.828 1.612 4.842 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.177 3.331 6.645 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.818 1.842 6.571 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.236 3.495 6.572 1.00 0.00 H new ATOM 969 N LEU A 62 -6.546 4.713 4.190 1.00 0.00 N ATOM 970 CA LEU A 62 -6.278 5.971 3.505 1.00 0.00 C ATOM 971 C LEU A 62 -7.573 6.737 3.260 1.00 0.00 C ATOM 972 O LEU A 62 -7.677 7.921 3.580 1.00 0.00 O ATOM 973 CB LEU A 62 -5.568 5.708 2.176 1.00 0.00 C ATOM 974 CG LEU A 62 -4.105 5.283 2.298 1.00 0.00 C ATOM 975 CD1 LEU A 62 -3.703 4.423 1.111 1.00 0.00 C ATOM 976 CD2 LEU A 62 -3.203 6.503 2.409 1.00 0.00 C ATOM 0 H LEU A 62 -6.302 3.881 3.652 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.631 6.576 4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.112 4.932 1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.619 6.612 1.569 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.990 4.691 3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.659 4.128 1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.330 3.532 1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.832 4.991 0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.165 6.181 2.495 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.318 7.123 1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.478 7.080 3.292 1.00 0.00 H new ATOM 988 N LYS A 63 -8.559 6.049 2.696 1.00 0.00 N ATOM 989 CA LYS A 63 -9.852 6.660 2.407 1.00 0.00 C ATOM 990 C LYS A 63 -10.400 7.387 3.632 1.00 0.00 C ATOM 991 O LYS A 63 -10.890 8.512 3.531 1.00 0.00 O ATOM 992 CB LYS A 63 -10.849 5.597 1.944 1.00 0.00 C ATOM 993 CG LYS A 63 -12.241 6.145 1.678 1.00 0.00 C ATOM 994 CD LYS A 63 -12.202 7.319 0.713 1.00 0.00 C ATOM 995 CE LYS A 63 -11.631 6.913 -0.635 1.00 0.00 C ATOM 996 NZ LYS A 63 -12.570 6.046 -1.399 1.00 0.00 N ATOM 0 H LYS A 63 -8.488 5.067 2.429 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.709 7.389 1.609 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.472 5.128 1.035 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.913 4.816 2.702 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.872 5.356 1.268 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.695 6.460 2.618 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.209 7.714 0.579 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.599 8.121 1.138 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.406 7.806 -1.218 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.689 6.385 -0.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.164 5.833 -2.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.725 5.159 -0.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.477 6.539 -1.520 1.00 0.00 H new ATOM 1010 N GLN A 64 -10.320 6.733 4.786 1.00 0.00 N ATOM 1011 CA GLN A 64 -10.815 7.314 6.029 1.00 0.00 C ATOM 1012 C GLN A 64 -9.795 8.276 6.628 1.00 0.00 C ATOM 1013 O GLN A 64 -10.155 9.214 7.339 1.00 0.00 O ATOM 1014 CB GLN A 64 -11.141 6.209 7.036 1.00 0.00 C ATOM 1015 CG GLN A 64 -11.881 5.032 6.423 1.00 0.00 C ATOM 1016 CD GLN A 64 -11.712 3.756 7.223 1.00 0.00 C ATOM 1017 OE1 GLN A 64 -10.618 3.447 7.697 1.00 0.00 O ATOM 1018 NE2 GLN A 64 -12.797 3.007 7.378 1.00 0.00 N ATOM 0 H GLN A 64 -9.918 5.801 4.887 1.00 0.00 H new ATOM 0 HA GLN A 64 -11.723 7.873 5.802 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.214 5.852 7.485 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -11.744 6.628 7.841 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -12.942 5.273 6.350 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.520 4.870 5.407 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -13.683 3.302 6.968 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -12.745 2.137 7.907 1.00 0.00 H new ATOM 1027 N GLY A 65 -8.521 8.038 6.338 1.00 0.00 N ATOM 1028 CA GLY A 65 -7.470 8.890 6.860 1.00 0.00 C ATOM 1029 C GLY A 65 -6.877 9.798 5.802 1.00 0.00 C ATOM 1030 O GLY A 65 -5.868 9.463 5.180 1.00 0.00 O ATOM 0 H GLY A 65 -8.197 7.270 5.750 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.869 9.497 7.672 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.681 8.269 7.284 1.00 0.00 H new ATOM 1034 N HIS A 66 -7.502 10.954 5.597 1.00 0.00 N ATOM 1035 CA HIS A 66 -7.024 11.916 4.610 1.00 0.00 C ATOM 1036 C HIS A 66 -6.370 13.114 5.290 1.00 0.00 C ATOM 1037 O HIS A 66 -6.392 14.227 4.766 1.00 0.00 O ATOM 1038 CB HIS A 66 -8.176 12.386 3.722 1.00 0.00 C ATOM 1039 CG HIS A 66 -7.770 12.644 2.305 1.00 0.00 C ATOM 1040 ND1 HIS A 66 -8.305 13.662 1.541 1.00 0.00 N ATOM 1041 CD2 HIS A 66 -6.873 12.012 1.511 1.00 0.00 C ATOM 1042 CE1 HIS A 66 -7.753 13.643 0.340 1.00 0.00 C ATOM 1043 NE2 HIS A 66 -6.884 12.652 0.297 1.00 0.00 N ATOM 0 H HIS A 66 -8.339 11.247 6.101 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.277 11.420 3.990 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -8.964 11.633 3.735 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.599 13.298 4.142 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.263 11.163 1.782 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -7.976 14.323 -0.469 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -6.312 12.401 -0.509 1.00 0.00 H new ATOM 1052 N ASP A 67 -5.788 12.877 6.461 1.00 0.00 N ATOM 1053 CA ASP A 67 -5.125 13.934 7.215 1.00 0.00 C ATOM 1054 C ASP A 67 -4.374 13.356 8.409 1.00 0.00 C ATOM 1055 O ASP A 67 -4.941 12.613 9.210 1.00 0.00 O ATOM 1056 CB ASP A 67 -6.144 14.971 7.691 1.00 0.00 C ATOM 1057 CG ASP A 67 -7.453 14.340 8.126 1.00 0.00 C ATOM 1058 OD1 ASP A 67 -8.294 14.054 7.248 1.00 0.00 O ATOM 1059 OD2 ASP A 67 -7.636 14.130 9.344 1.00 0.00 O ATOM 0 H ASP A 67 -5.762 11.961 6.909 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.407 14.421 6.555 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.722 15.535 8.523 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.336 15.682 6.888 1.00 0.00 H new ATOM 1064 N TYR A 68 -3.096 13.698 8.517 1.00 0.00 N ATOM 1065 CA TYR A 68 -2.264 13.209 9.609 1.00 0.00 C ATOM 1066 C TYR A 68 -2.118 11.692 9.543 1.00 0.00 C ATOM 1067 O TYR A 68 -3.150 10.994 9.635 1.00 0.00 O ATOM 1068 CB TYR A 68 -2.860 13.616 10.956 1.00 0.00 C ATOM 1069 CG TYR A 68 -2.197 14.826 11.573 1.00 0.00 C ATOM 1070 CD1 TYR A 68 -0.819 14.874 11.749 1.00 0.00 C ATOM 1071 CD2 TYR A 68 -2.949 15.922 11.978 1.00 0.00 C ATOM 1072 CE1 TYR A 68 -0.211 15.979 12.313 1.00 0.00 C ATOM 1073 CE2 TYR A 68 -2.346 17.031 12.541 1.00 0.00 C ATOM 1074 CZ TYR A 68 -0.978 17.054 12.706 1.00 0.00 C ATOM 1075 OH TYR A 68 -0.375 18.156 13.268 1.00 0.00 O ATOM 1076 OXT TYR A 68 -0.973 11.214 9.397 1.00 0.00 O ATOM 0 H TYR A 68 -2.613 14.312 7.861 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.276 13.657 9.507 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.922 13.822 10.826 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.780 12.777 11.647 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -0.214 14.034 11.440 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.021 15.907 11.851 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.861 16.000 12.445 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.944 17.875 12.850 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.056 18.825 13.488 1.00 0.00 H new TER 1086 TYR A 68