USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 427 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 15 CYS SG : rot -145:sc= -2.09 USER MOD Set 1.2: A 18 HIS : no HE2:sc= -5.81! C(o=-15!,f=-20!) USER MOD Set 1.3: A 34 CYS SG : rot 164:sc= -3.05! USER MOD Set 1.4: A 37 CYS SG : rot -31:sc= -3.93! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 5 SER OG : rot 180:sc= 0.125 USER MOD Single : A 14 THR OG1 : rot -67:sc= 0.873 USER MOD Single : A 17 ASN : amide:sc= -0.225 X(o=-0.22,f=-0.025) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -179:sc= 0 (180deg=-0.00405) USER MOD Single : A 50 SER OG : rot 180:sc= -0.0321 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00558 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.289 X(o=-0.29,f=-0.63) USER MOD Single : A 59 LYS NZ :NH3+ 158:sc= -0.0465 (180deg=-0.592) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -13.901 6.223 -14.427 1.00 0.00 N ATOM 2 CA ALA A 2 -12.526 6.785 -14.438 1.00 0.00 C ATOM 3 C ALA A 2 -11.781 6.380 -15.704 1.00 0.00 C ATOM 4 O ALA A 2 -10.947 5.475 -15.685 1.00 0.00 O ATOM 5 CB ALA A 2 -11.760 6.327 -13.206 1.00 0.00 C ATOM 0 HA ALA A 2 -12.603 7.872 -14.422 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.754 6.746 -13.227 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.277 6.668 -12.309 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.700 5.239 -13.199 1.00 0.00 H new ATOM 10 N SER A 3 -12.086 7.059 -16.806 1.00 0.00 N ATOM 11 CA SER A 3 -11.444 6.771 -18.084 1.00 0.00 C ATOM 12 C SER A 3 -10.233 7.675 -18.308 1.00 0.00 C ATOM 13 O SER A 3 -9.346 7.351 -19.096 1.00 0.00 O ATOM 14 CB SER A 3 -12.442 6.945 -19.231 1.00 0.00 C ATOM 15 OG SER A 3 -13.712 6.417 -18.886 1.00 0.00 O ATOM 0 H SER A 3 -12.773 7.812 -16.839 1.00 0.00 H new ATOM 0 HA SER A 3 -11.101 5.737 -18.061 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.539 8.003 -19.476 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.066 6.444 -20.123 1.00 0.00 H new ATOM 0 HG SER A 3 -14.332 6.542 -19.634 1.00 0.00 H new ATOM 21 N THR A 4 -10.203 8.809 -17.612 1.00 0.00 N ATOM 22 CA THR A 4 -9.102 9.756 -17.739 1.00 0.00 C ATOM 23 C THR A 4 -7.757 9.071 -17.505 1.00 0.00 C ATOM 24 O THR A 4 -6.915 9.017 -18.400 1.00 0.00 O ATOM 25 CB THR A 4 -9.279 10.911 -16.749 1.00 0.00 C ATOM 26 OG1 THR A 4 -10.167 10.547 -15.705 1.00 0.00 O ATOM 27 CG2 THR A 4 -9.817 12.172 -17.389 1.00 0.00 C ATOM 0 H THR A 4 -10.929 9.093 -16.955 1.00 0.00 H new ATOM 0 HA THR A 4 -9.113 10.150 -18.755 1.00 0.00 H new ATOM 0 HB THR A 4 -8.280 11.116 -16.365 1.00 0.00 H new ATOM 0 HG1 THR A 4 -10.265 11.298 -15.083 1.00 0.00 H new ATOM 0 HG21 THR A 4 -9.918 12.950 -16.632 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.129 12.508 -18.165 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.792 11.968 -17.832 1.00 0.00 H new ATOM 35 N SER A 5 -7.565 8.548 -16.299 1.00 0.00 N ATOM 36 CA SER A 5 -6.324 7.866 -15.951 1.00 0.00 C ATOM 37 C SER A 5 -6.136 6.614 -16.802 1.00 0.00 C ATOM 38 O SER A 5 -6.895 6.367 -17.738 1.00 0.00 O ATOM 39 CB SER A 5 -6.321 7.493 -14.467 1.00 0.00 C ATOM 40 OG SER A 5 -5.059 6.985 -14.071 1.00 0.00 O ATOM 0 H SER A 5 -8.253 8.583 -15.546 1.00 0.00 H new ATOM 0 HA SER A 5 -5.496 8.547 -16.149 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.568 8.370 -13.868 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.093 6.748 -14.275 1.00 0.00 H new ATOM 0 HG SER A 5 -5.083 6.756 -13.118 1.00 0.00 H new ATOM 46 N ARG A 6 -5.116 5.828 -16.471 1.00 0.00 N ATOM 47 CA ARG A 6 -4.827 4.601 -17.205 1.00 0.00 C ATOM 48 C ARG A 6 -5.982 3.611 -17.088 1.00 0.00 C ATOM 49 O ARG A 6 -6.682 3.341 -18.063 1.00 0.00 O ATOM 50 CB ARG A 6 -3.535 3.964 -16.686 1.00 0.00 C ATOM 51 CG ARG A 6 -2.342 4.174 -17.606 1.00 0.00 C ATOM 52 CD ARG A 6 -1.373 3.002 -17.542 1.00 0.00 C ATOM 53 NE ARG A 6 -1.300 2.282 -18.810 1.00 0.00 N ATOM 54 CZ ARG A 6 -0.731 2.772 -19.909 1.00 0.00 C ATOM 55 NH1 ARG A 6 -0.185 3.981 -19.899 1.00 0.00 N ATOM 56 NH2 ARG A 6 -0.707 2.050 -21.021 1.00 0.00 N ATOM 0 H ARG A 6 -4.476 6.019 -15.700 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.700 4.857 -18.257 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.304 4.378 -15.705 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.696 2.894 -16.551 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -2.690 4.304 -18.631 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.824 5.091 -17.327 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.381 3.366 -17.274 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.685 2.317 -16.754 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.709 1.349 -18.856 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.200 4.540 -19.046 1.00 0.00 H new ATOM 0 HH12 ARG A 6 0.250 4.351 -20.744 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -1.125 1.119 -21.034 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -0.271 2.425 -21.863 1.00 0.00 H new ATOM 70 N LEU A 7 -6.175 3.075 -15.888 1.00 0.00 N ATOM 71 CA LEU A 7 -7.246 2.115 -15.642 1.00 0.00 C ATOM 72 C LEU A 7 -8.341 2.728 -14.775 1.00 0.00 C ATOM 73 O LEU A 7 -8.275 3.904 -14.415 1.00 0.00 O ATOM 74 CB LEU A 7 -6.689 0.860 -14.968 1.00 0.00 C ATOM 75 CG LEU A 7 -6.121 -0.191 -15.926 1.00 0.00 C ATOM 76 CD1 LEU A 7 -4.608 -0.070 -16.017 1.00 0.00 C ATOM 77 CD2 LEU A 7 -6.519 -1.591 -15.480 1.00 0.00 C ATOM 0 H LEU A 7 -5.604 3.289 -15.070 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.681 1.841 -16.603 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.904 1.157 -14.272 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.482 0.401 -14.377 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.539 -0.014 -16.917 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.223 -0.825 -16.702 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.344 0.922 -16.384 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.171 -0.220 -15.030 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.106 -2.325 -16.173 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.130 -1.778 -14.479 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.606 -1.674 -15.468 1.00 0.00 H new ATOM 89 N ASP A 8 -9.346 1.925 -14.445 1.00 0.00 N ATOM 90 CA ASP A 8 -10.457 2.390 -13.621 1.00 0.00 C ATOM 91 C ASP A 8 -10.165 2.173 -12.139 1.00 0.00 C ATOM 92 O ASP A 8 -10.004 3.131 -11.382 1.00 0.00 O ATOM 93 CB ASP A 8 -11.747 1.663 -14.010 1.00 0.00 C ATOM 94 CG ASP A 8 -11.971 1.644 -15.509 1.00 0.00 C ATOM 95 OD1 ASP A 8 -11.280 0.869 -16.203 1.00 0.00 O ATOM 96 OD2 ASP A 8 -12.838 2.405 -15.989 1.00 0.00 O ATOM 0 H ASP A 8 -9.415 0.949 -14.735 1.00 0.00 H new ATOM 0 HA ASP A 8 -10.583 3.459 -13.795 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -11.710 0.639 -13.638 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.594 2.148 -13.525 1.00 0.00 H new ATOM 101 N ALA A 9 -10.098 0.909 -11.730 1.00 0.00 N ATOM 102 CA ALA A 9 -9.825 0.570 -10.339 1.00 0.00 C ATOM 103 C ALA A 9 -8.400 0.059 -10.166 1.00 0.00 C ATOM 104 O ALA A 9 -7.873 -0.645 -11.027 1.00 0.00 O ATOM 105 CB ALA A 9 -10.824 -0.466 -9.844 1.00 0.00 C ATOM 0 H ALA A 9 -10.229 0.104 -12.343 1.00 0.00 H new ATOM 0 HA ALA A 9 -9.931 1.476 -9.743 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.609 -0.711 -8.804 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.834 -0.063 -9.921 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.745 -1.367 -10.452 1.00 0.00 H new ATOM 111 N LEU A 10 -7.778 0.422 -9.048 1.00 0.00 N ATOM 112 CA LEU A 10 -6.410 0.003 -8.764 1.00 0.00 C ATOM 113 C LEU A 10 -6.372 -1.137 -7.742 1.00 0.00 C ATOM 114 O LEU A 10 -5.989 -2.258 -8.077 1.00 0.00 O ATOM 115 CB LEU A 10 -5.583 1.191 -8.262 1.00 0.00 C ATOM 116 CG LEU A 10 -4.814 1.946 -9.347 1.00 0.00 C ATOM 117 CD1 LEU A 10 -4.350 3.298 -8.830 1.00 0.00 C ATOM 118 CD2 LEU A 10 -3.629 1.123 -9.829 1.00 0.00 C ATOM 0 H LEU A 10 -8.199 1.005 -8.325 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.977 -0.367 -9.693 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.249 1.890 -7.756 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.873 0.832 -7.517 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.483 2.113 -10.191 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.805 3.820 -9.616 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.215 3.891 -8.533 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.697 3.154 -7.970 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.093 1.675 -10.601 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.959 0.925 -8.992 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.985 0.178 -10.240 1.00 0.00 H new ATOM 130 N PRO A 11 -6.759 -0.872 -6.479 1.00 0.00 N ATOM 131 CA PRO A 11 -6.751 -1.893 -5.426 1.00 0.00 C ATOM 132 C PRO A 11 -7.794 -2.982 -5.659 1.00 0.00 C ATOM 133 O PRO A 11 -8.937 -2.698 -6.014 1.00 0.00 O ATOM 134 CB PRO A 11 -7.076 -1.106 -4.155 1.00 0.00 C ATOM 135 CG PRO A 11 -7.806 0.102 -4.629 1.00 0.00 C ATOM 136 CD PRO A 11 -7.225 0.435 -5.975 1.00 0.00 C ATOM 0 HA PRO A 11 -5.797 -2.419 -5.384 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -7.688 -1.695 -3.471 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.169 -0.833 -3.616 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.876 -0.093 -4.703 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.680 0.932 -3.934 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.970 0.878 -6.636 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.406 1.150 -5.894 1.00 0.00 H new ATOM 144 N ARG A 12 -7.388 -4.232 -5.452 1.00 0.00 N ATOM 145 CA ARG A 12 -8.281 -5.370 -5.634 1.00 0.00 C ATOM 146 C ARG A 12 -8.651 -5.982 -4.285 1.00 0.00 C ATOM 147 O ARG A 12 -8.410 -5.385 -3.237 1.00 0.00 O ATOM 148 CB ARG A 12 -7.619 -6.424 -6.531 1.00 0.00 C ATOM 149 CG ARG A 12 -8.557 -7.051 -7.556 1.00 0.00 C ATOM 150 CD ARG A 12 -9.361 -6.001 -8.308 1.00 0.00 C ATOM 151 NE ARG A 12 -10.732 -5.904 -7.809 1.00 0.00 N ATOM 152 CZ ARG A 12 -11.620 -6.894 -7.882 1.00 0.00 C ATOM 153 NH1 ARG A 12 -11.291 -8.051 -8.442 1.00 0.00 N ATOM 154 NH2 ARG A 12 -12.841 -6.725 -7.394 1.00 0.00 N ATOM 0 H ARG A 12 -6.444 -4.482 -5.157 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.194 -5.020 -6.116 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.781 -5.964 -7.055 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.207 -7.213 -5.902 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.977 -7.641 -8.266 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.238 -7.737 -7.053 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.871 -5.032 -8.214 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.378 -6.248 -9.370 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.026 -5.027 -7.380 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.353 -8.186 -8.820 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.976 -8.805 -8.495 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.100 -5.837 -6.963 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.522 -7.483 -7.449 1.00 0.00 H new ATOM 168 N VAL A 13 -9.240 -7.174 -4.317 1.00 0.00 N ATOM 169 CA VAL A 13 -9.643 -7.860 -3.096 1.00 0.00 C ATOM 170 C VAL A 13 -8.834 -9.134 -2.879 1.00 0.00 C ATOM 171 O VAL A 13 -9.147 -10.184 -3.439 1.00 0.00 O ATOM 172 CB VAL A 13 -11.142 -8.216 -3.121 1.00 0.00 C ATOM 173 CG1 VAL A 13 -11.991 -6.976 -2.892 1.00 0.00 C ATOM 174 CG2 VAL A 13 -11.507 -8.888 -4.435 1.00 0.00 C ATOM 0 H VAL A 13 -9.448 -7.684 -5.176 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.451 -7.171 -2.273 1.00 0.00 H new ATOM 0 HB VAL A 13 -11.344 -8.918 -2.312 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -13.046 -7.248 -2.913 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.748 -6.543 -1.922 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -11.789 -6.247 -3.676 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -12.569 -9.133 -4.436 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.290 -8.212 -5.262 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.924 -9.802 -4.551 1.00 0.00 H new ATOM 184 N THR A 14 -7.793 -9.032 -2.059 1.00 0.00 N ATOM 185 CA THR A 14 -6.936 -10.175 -1.757 1.00 0.00 C ATOM 186 C THR A 14 -6.332 -10.770 -3.024 1.00 0.00 C ATOM 187 O THR A 14 -6.541 -10.265 -4.127 1.00 0.00 O ATOM 188 CB THR A 14 -7.726 -11.251 -1.006 1.00 0.00 C ATOM 189 OG1 THR A 14 -8.500 -12.025 -1.905 1.00 0.00 O ATOM 190 CG2 THR A 14 -8.663 -10.690 0.043 1.00 0.00 C ATOM 0 H THR A 14 -7.521 -8.168 -1.590 1.00 0.00 H new ATOM 0 HA THR A 14 -6.122 -9.818 -1.126 1.00 0.00 H new ATOM 0 HB THR A 14 -6.974 -11.861 -0.505 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.199 -11.464 -2.301 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.190 -11.508 0.535 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.089 -10.131 0.782 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.386 -10.027 -0.432 1.00 0.00 H new ATOM 198 N CYS A 15 -5.576 -11.850 -2.849 1.00 0.00 N ATOM 199 CA CYS A 15 -4.927 -12.535 -3.963 1.00 0.00 C ATOM 200 C CYS A 15 -5.953 -13.256 -4.835 1.00 0.00 C ATOM 201 O CYS A 15 -6.868 -13.899 -4.320 1.00 0.00 O ATOM 202 CB CYS A 15 -3.914 -13.544 -3.422 1.00 0.00 C ATOM 203 SG CYS A 15 -2.855 -14.298 -4.680 1.00 0.00 S ATOM 0 H CYS A 15 -5.397 -12.273 -1.938 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.418 -11.791 -4.576 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.283 -13.046 -2.686 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.452 -14.334 -2.898 1.00 0.00 H new ATOM 0 HG CYS A 15 -2.606 -15.532 -4.355 1.00 0.00 H new ATOM 209 N PRO A 16 -5.810 -13.176 -6.170 1.00 0.00 N ATOM 210 CA PRO A 16 -6.730 -13.842 -7.098 1.00 0.00 C ATOM 211 C PRO A 16 -6.676 -15.361 -6.958 1.00 0.00 C ATOM 212 O PRO A 16 -7.597 -16.066 -7.371 1.00 0.00 O ATOM 213 CB PRO A 16 -6.224 -13.412 -8.479 1.00 0.00 C ATOM 214 CG PRO A 16 -4.800 -13.035 -8.262 1.00 0.00 C ATOM 215 CD PRO A 16 -4.747 -12.445 -6.881 1.00 0.00 C ATOM 0 HA PRO A 16 -7.769 -13.569 -6.913 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.313 -14.222 -9.203 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.801 -12.573 -8.868 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.147 -13.904 -8.343 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.466 -12.315 -9.009 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.773 -12.594 -6.415 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.934 -11.371 -6.893 1.00 0.00 H new ATOM 223 N ASN A 17 -5.592 -15.859 -6.366 1.00 0.00 N ATOM 224 CA ASN A 17 -5.414 -17.293 -6.162 1.00 0.00 C ATOM 225 C ASN A 17 -5.420 -17.640 -4.672 1.00 0.00 C ATOM 226 O ASN A 17 -5.536 -18.807 -4.298 1.00 0.00 O ATOM 227 CB ASN A 17 -4.108 -17.764 -6.807 1.00 0.00 C ATOM 228 CG ASN A 17 -4.346 -18.575 -8.066 1.00 0.00 C ATOM 229 OD1 ASN A 17 -3.790 -18.278 -9.123 1.00 0.00 O ATOM 230 ND2 ASN A 17 -5.177 -19.605 -7.957 1.00 0.00 N ATOM 0 H ASN A 17 -4.822 -15.287 -6.019 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.250 -17.808 -6.636 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.491 -16.898 -7.047 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.548 -18.365 -6.091 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.377 -20.187 -8.770 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.615 -19.814 -7.060 1.00 0.00 H new ATOM 237 N HIS A 18 -5.310 -16.619 -3.823 1.00 0.00 N ATOM 238 CA HIS A 18 -5.318 -16.821 -2.380 1.00 0.00 C ATOM 239 C HIS A 18 -6.306 -15.864 -1.717 1.00 0.00 C ATOM 240 O HIS A 18 -5.934 -14.767 -1.301 1.00 0.00 O ATOM 241 CB HIS A 18 -3.925 -16.610 -1.788 1.00 0.00 C ATOM 242 CG HIS A 18 -2.905 -17.621 -2.211 1.00 0.00 C ATOM 243 ND1 HIS A 18 -1.693 -17.267 -2.759 1.00 0.00 N ATOM 244 CD2 HIS A 18 -2.888 -18.970 -2.107 1.00 0.00 C ATOM 245 CE1 HIS A 18 -0.969 -18.349 -2.968 1.00 0.00 C ATOM 246 NE2 HIS A 18 -1.670 -19.399 -2.584 1.00 0.00 N ATOM 0 H HIS A 18 -5.214 -15.645 -4.112 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.625 -17.849 -2.188 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.572 -15.618 -2.070 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.001 -16.624 -0.701 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -1.400 -16.313 -2.971 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.681 -19.593 -1.722 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.028 -18.372 -3.383 1.00 0.00 H new ATOM 255 N PRO A 19 -7.584 -16.265 -1.609 1.00 0.00 N ATOM 256 CA PRO A 19 -8.620 -15.432 -0.993 1.00 0.00 C ATOM 257 C PRO A 19 -8.295 -15.100 0.457 1.00 0.00 C ATOM 258 O PRO A 19 -8.599 -14.008 0.938 1.00 0.00 O ATOM 259 CB PRO A 19 -9.888 -16.291 -1.078 1.00 0.00 C ATOM 260 CG PRO A 19 -9.409 -17.683 -1.321 1.00 0.00 C ATOM 261 CD PRO A 19 -8.116 -17.556 -2.073 1.00 0.00 C ATOM 0 HA PRO A 19 -8.719 -14.470 -1.496 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.466 -16.230 -0.156 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.538 -15.953 -1.885 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.262 -18.214 -0.380 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.140 -18.251 -1.896 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.436 -18.377 -1.846 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.275 -17.562 -3.151 1.00 0.00 H new ATOM 269 N ASP A 20 -7.674 -16.048 1.147 1.00 0.00 N ATOM 270 CA ASP A 20 -7.304 -15.859 2.544 1.00 0.00 C ATOM 271 C ASP A 20 -6.031 -15.026 2.666 1.00 0.00 C ATOM 272 O ASP A 20 -5.831 -14.326 3.660 1.00 0.00 O ATOM 273 CB ASP A 20 -7.110 -17.212 3.229 1.00 0.00 C ATOM 274 CG ASP A 20 -8.415 -17.806 3.718 1.00 0.00 C ATOM 275 OD1 ASP A 20 -8.861 -17.434 4.823 1.00 0.00 O ATOM 276 OD2 ASP A 20 -8.993 -18.646 2.995 1.00 0.00 O ATOM 0 H ASP A 20 -7.416 -16.956 0.762 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.114 -15.322 3.037 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.638 -17.904 2.532 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.429 -17.095 4.072 1.00 0.00 H new ATOM 281 N ALA A 21 -5.172 -15.108 1.655 1.00 0.00 N ATOM 282 CA ALA A 21 -3.918 -14.363 1.655 1.00 0.00 C ATOM 283 C ALA A 21 -4.140 -12.909 1.249 1.00 0.00 C ATOM 284 O ALA A 21 -4.074 -12.561 0.068 1.00 0.00 O ATOM 285 CB ALA A 21 -2.913 -15.025 0.736 1.00 0.00 C ATOM 0 H ALA A 21 -5.321 -15.683 0.826 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.521 -14.369 2.670 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.982 -14.458 0.746 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.722 -16.042 1.078 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.310 -15.052 -0.279 1.00 0.00 H new ATOM 291 N ILE A 22 -4.433 -12.087 2.244 1.00 0.00 N ATOM 292 CA ILE A 22 -4.705 -10.671 2.028 1.00 0.00 C ATOM 293 C ILE A 22 -3.439 -9.862 1.734 1.00 0.00 C ATOM 294 O ILE A 22 -2.985 -9.085 2.575 1.00 0.00 O ATOM 295 CB ILE A 22 -5.431 -10.046 3.233 1.00 0.00 C ATOM 296 CG1 ILE A 22 -6.603 -10.926 3.672 1.00 0.00 C ATOM 297 CG2 ILE A 22 -5.918 -8.653 2.878 1.00 0.00 C ATOM 298 CD1 ILE A 22 -7.116 -10.603 5.058 1.00 0.00 C ATOM 0 H ILE A 22 -4.489 -12.378 3.220 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.349 -10.627 1.150 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.730 -9.974 4.064 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.418 -10.815 2.957 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.293 -11.971 3.642 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.431 -8.217 3.736 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.067 -8.028 2.608 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.607 -8.712 2.035 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.946 -11.266 5.302 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.315 -10.742 5.784 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.457 -9.568 5.088 1.00 0.00 H new ATOM 310 N LEU A 23 -2.885 -10.055 0.525 1.00 0.00 N ATOM 311 CA LEU A 23 -1.670 -9.346 0.083 1.00 0.00 C ATOM 312 C LEU A 23 -1.361 -8.168 0.998 1.00 0.00 C ATOM 313 O LEU A 23 -2.013 -7.132 0.940 1.00 0.00 O ATOM 314 CB LEU A 23 -1.819 -8.844 -1.356 1.00 0.00 C ATOM 315 CG LEU A 23 -1.323 -9.806 -2.436 1.00 0.00 C ATOM 316 CD1 LEU A 23 -2.487 -10.610 -2.993 1.00 0.00 C ATOM 317 CD2 LEU A 23 -0.598 -9.047 -3.544 1.00 0.00 C ATOM 0 H LEU A 23 -3.262 -10.701 -0.169 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.846 -10.058 0.128 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.871 -8.627 -1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.277 -7.903 -1.454 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.610 -10.499 -1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.123 -11.292 -3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.951 -11.182 -2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.222 -9.933 -3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.253 -9.751 -4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.280 -8.329 -3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.258 -8.519 -3.123 1.00 0.00 H new ATOM 329 N VAL A 24 -0.389 -8.351 1.861 1.00 0.00 N ATOM 330 CA VAL A 24 -0.023 -7.318 2.810 1.00 0.00 C ATOM 331 C VAL A 24 0.756 -6.193 2.143 1.00 0.00 C ATOM 332 O VAL A 24 1.214 -6.323 1.011 1.00 0.00 O ATOM 333 CB VAL A 24 0.774 -7.923 3.974 1.00 0.00 C ATOM 334 CG1 VAL A 24 0.793 -6.981 5.169 1.00 0.00 C ATOM 335 CG2 VAL A 24 0.169 -9.270 4.346 1.00 0.00 C ATOM 0 H VAL A 24 0.165 -9.205 1.928 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.942 -6.884 3.205 1.00 0.00 H new ATOM 0 HB VAL A 24 1.808 -8.070 3.664 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.364 -7.433 5.980 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.257 -6.037 4.881 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.228 -6.797 5.503 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.731 -9.705 5.173 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.870 -9.132 4.646 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.212 -9.938 3.486 1.00 0.00 H new ATOM 345 N GLU A 25 0.885 -5.085 2.858 1.00 0.00 N ATOM 346 CA GLU A 25 1.581 -3.925 2.356 1.00 0.00 C ATOM 347 C GLU A 25 3.059 -4.053 2.629 1.00 0.00 C ATOM 348 O GLU A 25 3.488 -4.232 3.768 1.00 0.00 O ATOM 349 CB GLU A 25 1.026 -2.647 2.986 1.00 0.00 C ATOM 350 CG GLU A 25 -0.140 -2.052 2.213 1.00 0.00 C ATOM 351 CD GLU A 25 0.123 -0.629 1.760 1.00 0.00 C ATOM 352 OE1 GLU A 25 0.939 0.059 2.408 1.00 0.00 O ATOM 353 OE2 GLU A 25 -0.488 -0.203 0.757 1.00 0.00 O ATOM 0 H GLU A 25 0.509 -4.972 3.799 1.00 0.00 H new ATOM 0 HA GLU A 25 1.427 -3.864 1.279 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.705 -2.863 4.005 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.824 -1.907 3.053 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.348 -2.674 1.342 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.032 -2.071 2.838 1.00 0.00 H new ATOM 360 N ASP A 26 3.819 -3.948 1.564 1.00 0.00 N ATOM 361 CA ASP A 26 5.263 -4.037 1.603 1.00 0.00 C ATOM 362 C ASP A 26 5.771 -5.222 2.428 1.00 0.00 C ATOM 363 O ASP A 26 5.419 -5.398 3.591 1.00 0.00 O ATOM 364 CB ASP A 26 5.881 -2.731 2.111 1.00 0.00 C ATOM 365 CG ASP A 26 4.954 -1.535 1.966 1.00 0.00 C ATOM 366 OD1 ASP A 26 4.191 -1.488 0.979 1.00 0.00 O ATOM 367 OD2 ASP A 26 4.994 -0.646 2.843 1.00 0.00 O ATOM 0 H ASP A 26 3.445 -3.795 0.627 1.00 0.00 H new ATOM 0 HA ASP A 26 5.583 -4.208 0.575 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.151 -2.848 3.160 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.804 -2.536 1.564 1.00 0.00 H new ATOM 372 N TYR A 27 6.633 -6.023 1.815 1.00 0.00 N ATOM 373 CA TYR A 27 7.214 -7.176 2.490 1.00 0.00 C ATOM 374 C TYR A 27 8.131 -7.954 1.559 1.00 0.00 C ATOM 375 O TYR A 27 9.269 -8.243 1.914 1.00 0.00 O ATOM 376 CB TYR A 27 6.124 -8.098 3.034 1.00 0.00 C ATOM 377 CG TYR A 27 6.397 -8.601 4.434 1.00 0.00 C ATOM 378 CD1 TYR A 27 7.261 -9.666 4.656 1.00 0.00 C ATOM 379 CD2 TYR A 27 5.791 -8.008 5.535 1.00 0.00 C ATOM 380 CE1 TYR A 27 7.511 -10.126 5.935 1.00 0.00 C ATOM 381 CE2 TYR A 27 6.037 -8.462 6.816 1.00 0.00 C ATOM 382 CZ TYR A 27 6.897 -9.522 7.011 1.00 0.00 C ATOM 383 OH TYR A 27 7.145 -9.977 8.286 1.00 0.00 O ATOM 0 H TYR A 27 6.945 -5.896 0.852 1.00 0.00 H new ATOM 0 HA TYR A 27 7.805 -6.800 3.325 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.173 -7.565 3.028 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.015 -8.952 2.365 1.00 0.00 H new ATOM 0 HD1 TYR A 27 7.745 -10.142 3.816 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.116 -7.178 5.386 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.185 -10.956 6.091 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.558 -7.989 7.661 1.00 0.00 H new ATOM 0 HH TYR A 27 6.635 -9.442 8.929 1.00 0.00 H new ATOM 393 N ARG A 28 7.637 -8.292 0.378 1.00 0.00 N ATOM 394 CA ARG A 28 8.433 -9.039 -0.585 1.00 0.00 C ATOM 395 C ARG A 28 9.262 -8.099 -1.456 1.00 0.00 C ATOM 396 O ARG A 28 10.483 -8.231 -1.538 1.00 0.00 O ATOM 397 CB ARG A 28 7.530 -9.914 -1.453 1.00 0.00 C ATOM 398 CG ARG A 28 7.577 -11.387 -1.077 1.00 0.00 C ATOM 399 CD ARG A 28 8.881 -12.035 -1.518 1.00 0.00 C ATOM 400 NE ARG A 28 9.601 -12.632 -0.397 1.00 0.00 N ATOM 401 CZ ARG A 28 9.248 -13.773 0.187 1.00 0.00 C ATOM 402 NH1 ARG A 28 8.185 -14.446 -0.240 1.00 0.00 N ATOM 403 NH2 ARG A 28 9.960 -14.246 1.202 1.00 0.00 N ATOM 0 H ARG A 28 6.694 -8.063 0.064 1.00 0.00 H new ATOM 0 HA ARG A 28 9.120 -9.681 -0.034 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.503 -9.558 -1.371 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.823 -9.803 -2.497 1.00 0.00 H new ATOM 0 HG2 ARG A 28 7.465 -11.492 0.002 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.737 -11.908 -1.537 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.671 -12.802 -2.264 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.513 -11.288 -1.998 1.00 0.00 H new ATOM 0 HE ARG A 28 10.423 -12.145 -0.041 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.634 -14.088 -1.020 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.920 -15.321 0.212 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.778 -13.734 1.534 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.690 -15.121 1.650 1.00 0.00 H new ATOM 417 N ALA A 29 8.594 -7.148 -2.101 1.00 0.00 N ATOM 418 CA ALA A 29 9.278 -6.185 -2.958 1.00 0.00 C ATOM 419 C ALA A 29 8.862 -4.752 -2.628 1.00 0.00 C ATOM 420 O ALA A 29 9.128 -3.827 -3.396 1.00 0.00 O ATOM 421 CB ALA A 29 9.004 -6.490 -4.424 1.00 0.00 C ATOM 0 H ALA A 29 7.583 -7.023 -2.047 1.00 0.00 H new ATOM 0 HA ALA A 29 10.348 -6.275 -2.772 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.521 -5.763 -5.050 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.362 -7.492 -4.660 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.932 -6.434 -4.613 1.00 0.00 H new ATOM 427 N GLY A 30 8.214 -4.574 -1.479 1.00 0.00 N ATOM 428 CA GLY A 30 7.780 -3.251 -1.069 1.00 0.00 C ATOM 429 C GLY A 30 6.340 -2.955 -1.450 1.00 0.00 C ATOM 430 O GLY A 30 5.715 -2.062 -0.879 1.00 0.00 O ATOM 0 H GLY A 30 7.982 -5.322 -0.826 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.891 -3.157 0.011 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.431 -2.504 -1.523 1.00 0.00 H new ATOM 434 N ASP A 31 5.809 -3.707 -2.409 1.00 0.00 N ATOM 435 CA ASP A 31 4.430 -3.521 -2.853 1.00 0.00 C ATOM 436 C ASP A 31 3.491 -4.401 -2.030 1.00 0.00 C ATOM 437 O ASP A 31 3.696 -4.574 -0.833 1.00 0.00 O ATOM 438 CB ASP A 31 4.305 -3.814 -4.355 1.00 0.00 C ATOM 439 CG ASP A 31 5.555 -3.449 -5.134 1.00 0.00 C ATOM 440 OD1 ASP A 31 6.314 -2.572 -4.665 1.00 0.00 O ATOM 441 OD2 ASP A 31 5.776 -4.035 -6.215 1.00 0.00 O ATOM 0 H ASP A 31 6.311 -4.451 -2.894 1.00 0.00 H new ATOM 0 HA ASP A 31 4.142 -2.482 -2.696 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.091 -4.873 -4.497 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.457 -3.261 -4.759 1.00 0.00 H new ATOM 446 N MET A 32 2.473 -4.967 -2.664 1.00 0.00 N ATOM 447 CA MET A 32 1.525 -5.827 -1.976 1.00 0.00 C ATOM 448 C MET A 32 1.964 -7.284 -2.070 1.00 0.00 C ATOM 449 O MET A 32 1.963 -7.876 -3.146 1.00 0.00 O ATOM 450 CB MET A 32 0.157 -5.646 -2.600 1.00 0.00 C ATOM 451 CG MET A 32 -0.497 -4.318 -2.254 1.00 0.00 C ATOM 452 SD MET A 32 -2.280 -4.462 -2.025 1.00 0.00 S ATOM 453 CE MET A 32 -2.444 -3.970 -0.310 1.00 0.00 C ATOM 0 H MET A 32 2.284 -4.844 -3.659 1.00 0.00 H new ATOM 0 HA MET A 32 1.484 -5.555 -0.921 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.247 -5.726 -3.683 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.493 -6.458 -2.273 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.048 -3.923 -1.343 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.293 -3.599 -3.048 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.492 -4.025 -0.014 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.854 -4.637 0.318 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.086 -2.947 -0.189 1.00 0.00 H new ATOM 463 N ILE A 33 2.377 -7.830 -0.940 1.00 0.00 N ATOM 464 CA ILE A 33 2.877 -9.191 -0.866 1.00 0.00 C ATOM 465 C ILE A 33 1.829 -10.158 -0.351 1.00 0.00 C ATOM 466 O ILE A 33 1.284 -9.986 0.739 1.00 0.00 O ATOM 467 CB ILE A 33 4.114 -9.217 0.059 1.00 0.00 C ATOM 468 CG1 ILE A 33 4.778 -10.599 0.116 1.00 0.00 C ATOM 469 CG2 ILE A 33 3.724 -8.748 1.452 1.00 0.00 C ATOM 470 CD1 ILE A 33 4.053 -11.603 0.990 1.00 0.00 C ATOM 0 H ILE A 33 2.375 -7.340 -0.045 1.00 0.00 H new ATOM 0 HA ILE A 33 3.144 -9.512 -1.873 1.00 0.00 H new ATOM 0 HB ILE A 33 4.854 -8.535 -0.361 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.847 -10.998 -0.896 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.798 -10.484 0.483 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.599 -8.768 2.101 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.335 -7.731 1.398 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.957 -9.408 1.857 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.588 -12.552 0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.007 -11.229 2.013 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.041 -11.751 0.612 1.00 0.00 H new ATOM 482 N CYS A 34 1.575 -11.194 -1.128 1.00 0.00 N ATOM 483 CA CYS A 34 0.625 -12.211 -0.732 1.00 0.00 C ATOM 484 C CYS A 34 1.354 -13.258 0.092 1.00 0.00 C ATOM 485 O CYS A 34 1.966 -14.153 -0.470 1.00 0.00 O ATOM 486 CB CYS A 34 0.003 -12.866 -1.961 1.00 0.00 C ATOM 487 SG CYS A 34 -1.051 -14.282 -1.597 1.00 0.00 S ATOM 0 H CYS A 34 2.014 -11.352 -2.035 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.172 -11.756 -0.145 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.584 -12.120 -2.497 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.801 -13.185 -2.631 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.795 -14.546 -2.630 1.00 0.00 H new ATOM 493 N PRO A 35 1.296 -13.171 1.432 1.00 0.00 N ATOM 494 CA PRO A 35 1.973 -14.109 2.336 1.00 0.00 C ATOM 495 C PRO A 35 1.906 -15.564 1.881 1.00 0.00 C ATOM 496 O PRO A 35 2.660 -16.404 2.371 1.00 0.00 O ATOM 497 CB PRO A 35 1.230 -13.929 3.671 1.00 0.00 C ATOM 498 CG PRO A 35 0.132 -12.948 3.400 1.00 0.00 C ATOM 499 CD PRO A 35 0.559 -12.165 2.194 1.00 0.00 C ATOM 0 HA PRO A 35 3.041 -13.895 2.386 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.827 -14.878 4.025 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.902 -13.559 4.445 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.812 -13.461 3.217 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.023 -12.291 4.256 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.293 -11.773 1.638 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.185 -11.313 2.460 1.00 0.00 H new ATOM 507 N GLU A 36 0.996 -15.869 0.973 1.00 0.00 N ATOM 508 CA GLU A 36 0.830 -17.225 0.495 1.00 0.00 C ATOM 509 C GLU A 36 1.763 -17.506 -0.674 1.00 0.00 C ATOM 510 O GLU A 36 2.713 -18.274 -0.545 1.00 0.00 O ATOM 511 CB GLU A 36 -0.626 -17.450 0.099 1.00 0.00 C ATOM 512 CG GLU A 36 -1.455 -18.120 1.184 1.00 0.00 C ATOM 513 CD GLU A 36 -0.857 -19.436 1.642 1.00 0.00 C ATOM 514 OE1 GLU A 36 -1.024 -20.446 0.927 1.00 0.00 O ATOM 515 OE2 GLU A 36 -0.222 -19.455 2.718 1.00 0.00 O ATOM 0 H GLU A 36 0.360 -15.192 0.552 1.00 0.00 H new ATOM 0 HA GLU A 36 1.090 -17.918 1.295 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.078 -16.490 -0.152 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.658 -18.063 -0.802 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.542 -17.448 2.037 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.464 -18.294 0.811 1.00 0.00 H new ATOM 522 N CYS A 37 1.543 -16.832 -1.792 1.00 0.00 N ATOM 523 CA CYS A 37 2.428 -16.994 -2.941 1.00 0.00 C ATOM 524 C CYS A 37 3.535 -15.973 -2.826 1.00 0.00 C ATOM 525 O CYS A 37 4.582 -16.085 -3.456 1.00 0.00 O ATOM 526 CB CYS A 37 1.688 -16.804 -4.272 1.00 0.00 C ATOM 527 SG CYS A 37 0.576 -15.381 -4.319 1.00 0.00 S ATOM 0 H CYS A 37 0.773 -16.177 -1.931 1.00 0.00 H new ATOM 0 HA CYS A 37 2.824 -18.009 -2.937 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.423 -16.700 -5.070 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.113 -17.705 -4.484 1.00 0.00 H new ATOM 0 HG CYS A 37 0.099 -15.163 -3.129 1.00 0.00 H new ATOM 533 N GLY A 38 3.261 -14.968 -2.006 1.00 0.00 N ATOM 534 CA GLY A 38 4.183 -13.895 -1.769 1.00 0.00 C ATOM 535 C GLY A 38 4.385 -13.053 -2.996 1.00 0.00 C ATOM 536 O GLY A 38 5.466 -12.514 -3.232 1.00 0.00 O ATOM 0 H GLY A 38 2.385 -14.885 -1.490 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.813 -13.270 -0.956 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.141 -14.303 -1.446 1.00 0.00 H new ATOM 540 N LEU A 39 3.321 -12.934 -3.771 1.00 0.00 N ATOM 541 CA LEU A 39 3.335 -12.143 -4.983 1.00 0.00 C ATOM 542 C LEU A 39 3.354 -10.665 -4.627 1.00 0.00 C ATOM 543 O LEU A 39 2.773 -10.263 -3.620 1.00 0.00 O ATOM 544 CB LEU A 39 2.091 -12.455 -5.811 1.00 0.00 C ATOM 545 CG LEU A 39 0.866 -11.612 -5.452 1.00 0.00 C ATOM 546 CD1 LEU A 39 0.693 -10.505 -6.462 1.00 0.00 C ATOM 547 CD2 LEU A 39 -0.387 -12.461 -5.364 1.00 0.00 C ATOM 0 H LEU A 39 2.426 -13.383 -3.576 1.00 0.00 H new ATOM 0 HA LEU A 39 4.225 -12.386 -5.563 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.324 -12.305 -6.865 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.841 -13.509 -5.686 1.00 0.00 H new ATOM 0 HG LEU A 39 1.029 -11.173 -4.468 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.181 -9.908 -6.201 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.579 -9.870 -6.462 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.555 -10.936 -7.454 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.237 -11.829 -5.107 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.569 -12.941 -6.325 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.257 -13.224 -4.596 1.00 0.00 H new ATOM 559 N VAL A 40 4.036 -9.867 -5.435 1.00 0.00 N ATOM 560 CA VAL A 40 4.135 -8.445 -5.177 1.00 0.00 C ATOM 561 C VAL A 40 3.451 -7.629 -6.266 1.00 0.00 C ATOM 562 O VAL A 40 3.853 -7.661 -7.428 1.00 0.00 O ATOM 563 CB VAL A 40 5.607 -8.006 -5.051 1.00 0.00 C ATOM 564 CG1 VAL A 40 5.713 -6.694 -4.292 1.00 0.00 C ATOM 565 CG2 VAL A 40 6.431 -9.087 -4.365 1.00 0.00 C ATOM 0 H VAL A 40 4.527 -10.182 -6.272 1.00 0.00 H new ATOM 0 HA VAL A 40 3.625 -8.257 -4.232 1.00 0.00 H new ATOM 0 HB VAL A 40 6.005 -7.854 -6.054 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.760 -6.402 -4.214 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.159 -5.920 -4.824 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.296 -6.817 -3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.467 -8.759 -4.285 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.031 -9.272 -3.368 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.385 -10.006 -4.950 1.00 0.00 H new ATOM 575 N VAL A 41 2.420 -6.885 -5.875 1.00 0.00 N ATOM 576 CA VAL A 41 1.685 -6.040 -6.808 1.00 0.00 C ATOM 577 C VAL A 41 1.817 -4.576 -6.415 1.00 0.00 C ATOM 578 O VAL A 41 1.708 -4.230 -5.239 1.00 0.00 O ATOM 579 CB VAL A 41 0.178 -6.372 -6.854 1.00 0.00 C ATOM 580 CG1 VAL A 41 -0.560 -5.426 -7.789 1.00 0.00 C ATOM 581 CG2 VAL A 41 -0.055 -7.809 -7.270 1.00 0.00 C ATOM 0 H VAL A 41 2.075 -6.851 -4.916 1.00 0.00 H new ATOM 0 HA VAL A 41 2.120 -6.229 -7.789 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.217 -6.241 -5.847 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.620 -5.682 -7.803 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.439 -4.401 -7.439 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.151 -5.517 -8.795 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.126 -8.012 -7.293 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.367 -7.974 -8.261 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.426 -8.477 -6.555 1.00 0.00 H new ATOM 591 N GLY A 42 2.027 -3.718 -7.400 1.00 0.00 N ATOM 592 CA GLY A 42 2.146 -2.305 -7.131 1.00 0.00 C ATOM 593 C GLY A 42 3.489 -1.753 -7.533 1.00 0.00 C ATOM 594 O GLY A 42 4.465 -2.491 -7.663 1.00 0.00 O ATOM 0 H GLY A 42 2.117 -3.977 -8.382 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.362 -1.769 -7.666 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.987 -2.126 -6.068 1.00 0.00 H new ATOM 598 N ASP A 43 3.536 -0.448 -7.718 1.00 0.00 N ATOM 599 CA ASP A 43 4.764 0.225 -8.098 1.00 0.00 C ATOM 600 C ASP A 43 4.533 1.726 -8.216 1.00 0.00 C ATOM 601 O ASP A 43 5.176 2.396 -9.021 1.00 0.00 O ATOM 602 CB ASP A 43 5.290 -0.328 -9.427 1.00 0.00 C ATOM 603 CG ASP A 43 6.802 -0.273 -9.519 1.00 0.00 C ATOM 604 OD1 ASP A 43 7.413 0.539 -8.793 1.00 0.00 O ATOM 605 OD2 ASP A 43 7.377 -1.043 -10.319 1.00 0.00 O ATOM 0 H ASP A 43 2.733 0.171 -7.611 1.00 0.00 H new ATOM 0 HA ASP A 43 5.508 0.042 -7.322 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.959 -1.360 -9.544 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.858 0.241 -10.250 1.00 0.00 H new ATOM 610 N ARG A 44 3.609 2.247 -7.403 1.00 0.00 N ATOM 611 CA ARG A 44 3.274 3.676 -7.404 1.00 0.00 C ATOM 612 C ARG A 44 3.204 4.236 -8.826 1.00 0.00 C ATOM 613 O ARG A 44 3.228 3.488 -9.804 1.00 0.00 O ATOM 614 CB ARG A 44 4.279 4.488 -6.565 1.00 0.00 C ATOM 615 CG ARG A 44 5.581 3.766 -6.242 1.00 0.00 C ATOM 616 CD ARG A 44 5.403 2.762 -5.113 1.00 0.00 C ATOM 617 NE ARG A 44 6.538 1.848 -5.011 1.00 0.00 N ATOM 618 CZ ARG A 44 6.877 1.202 -3.896 1.00 0.00 C ATOM 619 NH1 ARG A 44 6.167 1.360 -2.784 1.00 0.00 N ATOM 620 NH2 ARG A 44 7.928 0.394 -3.894 1.00 0.00 N ATOM 0 H ARG A 44 3.076 1.696 -6.730 1.00 0.00 H new ATOM 0 HA ARG A 44 2.288 3.771 -6.950 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.515 5.409 -7.099 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.799 4.776 -5.630 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.942 3.252 -7.133 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.342 4.495 -5.964 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.280 3.295 -4.170 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.490 2.190 -5.277 1.00 0.00 H new ATOM 0 HE ARG A 44 7.106 1.695 -5.844 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.356 1.979 -2.780 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.433 0.862 -1.934 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.476 0.268 -4.745 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.189 -0.101 -3.041 1.00 0.00 H new ATOM 634 N VAL A 45 3.113 5.557 -8.936 1.00 0.00 N ATOM 635 CA VAL A 45 3.045 6.212 -10.237 1.00 0.00 C ATOM 636 C VAL A 45 4.440 6.382 -10.830 1.00 0.00 C ATOM 637 O VAL A 45 4.603 6.476 -12.046 1.00 0.00 O ATOM 638 CB VAL A 45 2.365 7.591 -10.142 1.00 0.00 C ATOM 639 CG1 VAL A 45 2.172 8.189 -11.526 1.00 0.00 C ATOM 640 CG2 VAL A 45 1.037 7.485 -9.410 1.00 0.00 C ATOM 0 H VAL A 45 3.085 6.195 -8.140 1.00 0.00 H new ATOM 0 HA VAL A 45 2.448 5.572 -10.886 1.00 0.00 H new ATOM 0 HB VAL A 45 3.015 8.255 -9.572 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.690 9.163 -11.438 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.142 8.306 -12.010 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.546 7.527 -12.124 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.573 8.470 -9.354 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.378 6.804 -9.948 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.206 7.106 -8.402 1.00 0.00 H new ATOM 650 N ILE A 46 5.443 6.420 -9.958 1.00 0.00 N ATOM 651 CA ILE A 46 6.828 6.577 -10.383 1.00 0.00 C ATOM 652 C ILE A 46 7.765 6.504 -9.177 1.00 0.00 C ATOM 653 O ILE A 46 7.316 6.294 -8.051 1.00 0.00 O ATOM 654 CB ILE A 46 7.030 7.912 -11.141 1.00 0.00 C ATOM 655 CG1 ILE A 46 8.155 7.780 -12.169 1.00 0.00 C ATOM 656 CG2 ILE A 46 7.315 9.058 -10.176 1.00 0.00 C ATOM 657 CD1 ILE A 46 7.836 8.422 -13.501 1.00 0.00 C ATOM 0 H ILE A 46 5.320 6.344 -8.948 1.00 0.00 H new ATOM 0 HA ILE A 46 7.067 5.761 -11.065 1.00 0.00 H new ATOM 0 HB ILE A 46 6.104 8.142 -11.668 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.060 8.232 -11.765 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.370 6.723 -12.327 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.452 9.982 -10.738 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.476 9.172 -9.489 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.221 8.840 -9.610 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.678 8.289 -14.180 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.949 7.954 -13.928 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.650 9.486 -13.357 1.00 0.00 H new ATOM 669 N ASP A 47 9.062 6.678 -9.414 1.00 0.00 N ATOM 670 CA ASP A 47 10.046 6.629 -8.338 1.00 0.00 C ATOM 671 C ASP A 47 9.702 7.635 -7.242 1.00 0.00 C ATOM 672 O ASP A 47 10.145 8.783 -7.278 1.00 0.00 O ATOM 673 CB ASP A 47 11.445 6.911 -8.885 1.00 0.00 C ATOM 674 CG ASP A 47 11.529 8.245 -9.598 1.00 0.00 C ATOM 675 OD1 ASP A 47 11.141 8.311 -10.783 1.00 0.00 O ATOM 676 OD2 ASP A 47 11.984 9.226 -8.971 1.00 0.00 O ATOM 0 H ASP A 47 9.455 6.854 -10.339 1.00 0.00 H new ATOM 0 HA ASP A 47 10.028 5.628 -7.907 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.163 6.895 -8.065 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.730 6.116 -9.574 1.00 0.00 H new ATOM 681 N VAL A 48 8.910 7.194 -6.270 1.00 0.00 N ATOM 682 CA VAL A 48 8.502 8.055 -5.165 1.00 0.00 C ATOM 683 C VAL A 48 8.866 7.431 -3.821 1.00 0.00 C ATOM 684 O VAL A 48 9.102 6.226 -3.729 1.00 0.00 O ATOM 685 CB VAL A 48 6.985 8.331 -5.195 1.00 0.00 C ATOM 686 CG1 VAL A 48 6.626 9.454 -4.234 1.00 0.00 C ATOM 687 CG2 VAL A 48 6.527 8.662 -6.608 1.00 0.00 C ATOM 0 H VAL A 48 8.538 6.245 -6.225 1.00 0.00 H new ATOM 0 HA VAL A 48 9.037 8.997 -5.285 1.00 0.00 H new ATOM 0 HB VAL A 48 6.466 7.428 -4.873 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.552 9.634 -4.270 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.913 9.172 -3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.156 10.362 -4.522 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.454 8.853 -6.607 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.053 9.548 -6.963 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.745 7.822 -7.267 1.00 0.00 H new ATOM 697 N GLY A 49 8.909 8.258 -2.781 1.00 0.00 N ATOM 698 CA GLY A 49 9.244 7.769 -1.457 1.00 0.00 C ATOM 699 C GLY A 49 10.355 8.571 -0.808 1.00 0.00 C ATOM 700 O GLY A 49 11.494 8.109 -0.720 1.00 0.00 O ATOM 0 H GLY A 49 8.718 9.259 -2.832 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.357 7.804 -0.825 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.546 6.724 -1.524 1.00 0.00 H new ATOM 704 N SER A 50 10.025 9.776 -0.357 1.00 0.00 N ATOM 705 CA SER A 50 11.005 10.646 0.284 1.00 0.00 C ATOM 706 C SER A 50 10.824 10.649 1.798 1.00 0.00 C ATOM 707 O SER A 50 9.941 9.978 2.331 1.00 0.00 O ATOM 708 CB SER A 50 10.883 12.070 -0.259 1.00 0.00 C ATOM 709 OG SER A 50 11.927 12.893 0.232 1.00 0.00 O ATOM 0 H SER A 50 9.088 10.173 -0.423 1.00 0.00 H new ATOM 0 HA SER A 50 11.999 10.261 0.057 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.912 12.051 -1.348 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.919 12.490 0.027 1.00 0.00 H new ATOM 0 HG SER A 50 11.828 13.798 -0.131 1.00 0.00 H new ATOM 715 N GLU A 51 11.669 11.411 2.485 1.00 0.00 N ATOM 716 CA GLU A 51 11.607 11.505 3.939 1.00 0.00 C ATOM 717 C GLU A 51 12.646 12.494 4.460 1.00 0.00 C ATOM 718 O GLU A 51 12.305 13.584 4.921 1.00 0.00 O ATOM 719 CB GLU A 51 11.829 10.129 4.572 1.00 0.00 C ATOM 720 CG GLU A 51 10.777 9.760 5.606 1.00 0.00 C ATOM 721 CD GLU A 51 10.702 10.760 6.743 1.00 0.00 C ATOM 722 OE1 GLU A 51 11.485 10.624 7.707 1.00 0.00 O ATOM 723 OE2 GLU A 51 9.858 11.678 6.671 1.00 0.00 O ATOM 0 H GLU A 51 12.405 11.973 2.058 1.00 0.00 H new ATOM 0 HA GLU A 51 10.616 11.865 4.215 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.836 9.373 3.786 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.812 10.109 5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.803 9.693 5.121 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.000 8.772 6.010 1.00 0.00 H new ATOM 730 N TRP A 52 13.915 12.105 4.380 1.00 0.00 N ATOM 731 CA TRP A 52 15.011 12.953 4.840 1.00 0.00 C ATOM 732 C TRP A 52 14.927 13.189 6.346 1.00 0.00 C ATOM 733 O TRP A 52 15.659 12.569 7.120 1.00 0.00 O ATOM 734 CB TRP A 52 15.001 14.289 4.089 1.00 0.00 C ATOM 735 CG TRP A 52 16.249 15.091 4.285 1.00 0.00 C ATOM 736 CD1 TRP A 52 17.505 14.610 4.520 1.00 0.00 C ATOM 737 CD2 TRP A 52 16.363 16.519 4.264 1.00 0.00 C ATOM 738 NE1 TRP A 52 18.394 15.651 4.645 1.00 0.00 N ATOM 739 CE2 TRP A 52 17.716 16.833 4.492 1.00 0.00 C ATOM 740 CE3 TRP A 52 15.453 17.563 4.073 1.00 0.00 C ATOM 741 CZ2 TRP A 52 18.180 18.146 4.534 1.00 0.00 C ATOM 742 CZ3 TRP A 52 15.914 18.865 4.115 1.00 0.00 C ATOM 743 CH2 TRP A 52 17.267 19.146 4.344 1.00 0.00 C ATOM 0 H TRP A 52 14.211 11.206 4.000 1.00 0.00 H new ATOM 0 HA TRP A 52 15.949 12.439 4.631 1.00 0.00 H new ATOM 0 HB2 TRP A 52 14.864 14.098 3.025 1.00 0.00 H new ATOM 0 HB3 TRP A 52 14.145 14.877 4.420 1.00 0.00 H new ATOM 0 HD1 TRP A 52 17.763 13.564 4.597 1.00 0.00 H new ATOM 0 HE1 TRP A 52 19.394 15.559 4.823 1.00 0.00 H new ATOM 0 HE3 TRP A 52 14.408 17.356 3.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 19.223 18.366 4.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 15.220 19.679 3.969 1.00 0.00 H new ATOM 0 HH2 TRP A 52 17.596 20.174 4.371 1.00 0.00 H new ATOM 754 N ARG A 53 14.032 14.083 6.761 1.00 0.00 N ATOM 755 CA ARG A 53 13.850 14.397 8.177 1.00 0.00 C ATOM 756 C ARG A 53 15.191 14.602 8.879 1.00 0.00 C ATOM 757 O ARG A 53 15.808 13.648 9.353 1.00 0.00 O ATOM 758 CB ARG A 53 13.067 13.281 8.870 1.00 0.00 C ATOM 759 CG ARG A 53 12.592 13.651 10.266 1.00 0.00 C ATOM 760 CD ARG A 53 12.758 12.496 11.244 1.00 0.00 C ATOM 761 NE ARG A 53 11.476 11.909 11.621 1.00 0.00 N ATOM 762 CZ ARG A 53 10.651 12.441 12.520 1.00 0.00 C ATOM 763 NH1 ARG A 53 10.973 13.572 13.137 1.00 0.00 N ATOM 764 NH2 ARG A 53 9.503 11.842 12.803 1.00 0.00 N ATOM 0 H ARG A 53 13.419 14.605 6.134 1.00 0.00 H new ATOM 0 HA ARG A 53 13.287 15.328 8.241 1.00 0.00 H new ATOM 0 HB2 ARG A 53 12.204 13.020 8.258 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.695 12.392 8.932 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.153 14.514 10.624 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.544 13.946 10.227 1.00 0.00 H new ATOM 0 HD2 ARG A 53 13.390 11.729 10.795 1.00 0.00 H new ATOM 0 HD3 ARG A 53 13.272 12.849 12.138 1.00 0.00 H new ATOM 0 HE ARG A 53 11.195 11.039 11.168 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.855 14.037 12.923 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.338 13.976 13.825 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.251 10.973 12.332 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.871 12.250 13.492 1.00 0.00 H new ATOM 778 N THR A 54 15.634 15.855 8.946 1.00 0.00 N ATOM 779 CA THR A 54 16.899 16.180 9.594 1.00 0.00 C ATOM 780 C THR A 54 16.810 15.954 11.100 1.00 0.00 C ATOM 781 O THR A 54 15.718 15.930 11.669 1.00 0.00 O ATOM 782 CB THR A 54 17.284 17.633 9.305 1.00 0.00 C ATOM 783 OG1 THR A 54 16.179 18.495 9.511 1.00 0.00 O ATOM 784 CG2 THR A 54 17.780 17.850 7.892 1.00 0.00 C ATOM 0 H THR A 54 15.137 16.658 8.561 1.00 0.00 H new ATOM 0 HA THR A 54 17.668 15.521 9.191 1.00 0.00 H new ATOM 0 HB THR A 54 18.095 17.860 9.996 1.00 0.00 H new ATOM 0 HG1 THR A 54 16.445 19.419 9.323 1.00 0.00 H new ATOM 0 HG21 THR A 54 18.036 18.900 7.753 1.00 0.00 H new ATOM 0 HG22 THR A 54 18.663 17.235 7.718 1.00 0.00 H new ATOM 0 HG23 THR A 54 16.999 17.571 7.185 1.00 0.00 H new ATOM 792 N PHE A 55 17.962 15.790 11.739 1.00 0.00 N ATOM 793 CA PHE A 55 18.010 15.564 13.180 1.00 0.00 C ATOM 794 C PHE A 55 18.951 16.551 13.872 1.00 0.00 C ATOM 795 O PHE A 55 19.172 16.464 15.080 1.00 0.00 O ATOM 796 CB PHE A 55 18.452 14.129 13.477 1.00 0.00 C ATOM 797 CG PHE A 55 19.762 13.760 12.842 1.00 0.00 C ATOM 798 CD1 PHE A 55 19.855 13.574 11.474 1.00 0.00 C ATOM 799 CD2 PHE A 55 20.901 13.599 13.617 1.00 0.00 C ATOM 800 CE1 PHE A 55 21.060 13.234 10.886 1.00 0.00 C ATOM 801 CE2 PHE A 55 22.107 13.258 13.036 1.00 0.00 C ATOM 802 CZ PHE A 55 22.187 13.075 11.669 1.00 0.00 C ATOM 0 H PHE A 55 18.875 15.809 11.284 1.00 0.00 H new ATOM 0 HA PHE A 55 17.006 15.722 13.573 1.00 0.00 H new ATOM 0 HB2 PHE A 55 18.531 13.998 14.556 1.00 0.00 H new ATOM 0 HB3 PHE A 55 17.682 13.441 13.128 1.00 0.00 H new ATOM 0 HD1 PHE A 55 18.976 13.696 10.858 1.00 0.00 H new ATOM 0 HD2 PHE A 55 20.844 13.742 14.686 1.00 0.00 H new ATOM 0 HE1 PHE A 55 21.120 13.093 9.817 1.00 0.00 H new ATOM 0 HE2 PHE A 55 22.987 13.135 13.650 1.00 0.00 H new ATOM 0 HZ PHE A 55 23.129 12.808 11.213 1.00 0.00 H new ATOM 812 N SER A 56 19.503 17.490 13.105 1.00 0.00 N ATOM 813 CA SER A 56 20.415 18.487 13.655 1.00 0.00 C ATOM 814 C SER A 56 21.580 17.821 14.383 1.00 0.00 C ATOM 815 O SER A 56 21.684 16.595 14.419 1.00 0.00 O ATOM 816 CB SER A 56 19.667 19.418 14.612 1.00 0.00 C ATOM 817 OG SER A 56 18.882 20.358 13.898 1.00 0.00 O ATOM 0 H SER A 56 19.334 17.580 12.103 1.00 0.00 H new ATOM 0 HA SER A 56 20.816 19.071 12.827 1.00 0.00 H new ATOM 0 HB2 SER A 56 19.027 18.830 15.270 1.00 0.00 H new ATOM 0 HB3 SER A 56 20.381 19.943 15.247 1.00 0.00 H new ATOM 0 HG SER A 56 18.413 20.940 14.531 1.00 0.00 H new ATOM 823 N ASN A 57 22.454 18.639 14.962 1.00 0.00 N ATOM 824 CA ASN A 57 23.611 18.131 15.690 1.00 0.00 C ATOM 825 C ASN A 57 23.852 18.937 16.962 1.00 0.00 C ATOM 826 O ASN A 57 22.998 19.717 17.385 1.00 0.00 O ATOM 827 CB ASN A 57 24.856 18.169 14.801 1.00 0.00 C ATOM 828 CG ASN A 57 25.730 16.942 14.975 1.00 0.00 C ATOM 829 OD1 ASN A 57 25.237 15.815 15.006 1.00 0.00 O ATOM 830 ND2 ASN A 57 27.035 17.157 15.090 1.00 0.00 N ATOM 0 H ASN A 57 22.383 19.656 14.941 1.00 0.00 H new ATOM 0 HA ASN A 57 23.407 17.098 15.972 1.00 0.00 H new ATOM 0 HB2 ASN A 57 24.551 18.249 13.758 1.00 0.00 H new ATOM 0 HB3 ASN A 57 25.437 19.061 15.033 1.00 0.00 H new ATOM 0 HD21 ASN A 57 27.673 16.370 15.210 1.00 0.00 H new ATOM 0 HD22 ASN A 57 27.400 18.109 15.059 1.00 0.00 H new ATOM 837 N ASP A 58 25.019 18.744 17.569 1.00 0.00 N ATOM 838 CA ASP A 58 25.372 19.453 18.794 1.00 0.00 C ATOM 839 C ASP A 58 25.334 20.963 18.581 1.00 0.00 C ATOM 840 O ASP A 58 24.615 21.681 19.276 1.00 0.00 O ATOM 841 CB ASP A 58 26.762 19.030 19.272 1.00 0.00 C ATOM 842 CG ASP A 58 27.139 19.670 20.594 1.00 0.00 C ATOM 843 OD1 ASP A 58 26.415 19.452 21.587 1.00 0.00 O ATOM 844 OD2 ASP A 58 28.159 20.389 20.633 1.00 0.00 O ATOM 0 H ASP A 58 25.737 18.102 17.232 1.00 0.00 H new ATOM 0 HA ASP A 58 24.638 19.193 19.557 1.00 0.00 H new ATOM 0 HB2 ASP A 58 26.793 17.945 19.375 1.00 0.00 H new ATOM 0 HB3 ASP A 58 27.500 19.300 18.517 1.00 0.00 H new ATOM 849 N LYS A 59 26.112 21.439 17.614 1.00 0.00 N ATOM 850 CA LYS A 59 26.168 22.864 17.310 1.00 0.00 C ATOM 851 C LYS A 59 25.002 23.275 16.413 1.00 0.00 C ATOM 852 O LYS A 59 24.271 22.377 15.945 1.00 0.00 O ATOM 853 CB LYS A 59 27.498 23.211 16.636 1.00 0.00 C ATOM 854 CG LYS A 59 28.261 24.324 17.334 1.00 0.00 C ATOM 855 CD LYS A 59 29.763 24.120 17.229 1.00 0.00 C ATOM 856 CE LYS A 59 30.290 23.266 18.371 1.00 0.00 C ATOM 857 NZ LYS A 59 30.303 21.818 18.022 1.00 0.00 N ATOM 0 H LYS A 59 26.712 20.859 17.028 1.00 0.00 H new ATOM 0 HA LYS A 59 26.091 23.415 18.247 1.00 0.00 H new ATOM 0 HB2 LYS A 59 28.123 22.319 16.603 1.00 0.00 H new ATOM 0 HB3 LYS A 59 27.307 23.505 15.604 1.00 0.00 H new ATOM 0 HG2 LYS A 59 27.991 25.284 16.893 1.00 0.00 H new ATOM 0 HG3 LYS A 59 27.971 24.363 18.384 1.00 0.00 H new ATOM 0 HD2 LYS A 59 30.001 23.644 16.278 1.00 0.00 H new ATOM 0 HD3 LYS A 59 30.264 25.088 17.236 1.00 0.00 H new ATOM 0 HE2 LYS A 59 31.300 23.587 18.628 1.00 0.00 H new ATOM 0 HE3 LYS A 59 29.672 23.421 19.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 30.984 21.320 18.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 29.354 21.418 18.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 30.581 21.703 17.026 1.00 0.00 H new TER 871 LYS A 59