USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 844 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 Single : A 1 ALA N :NH3+ -114:sc= 0.161 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -1.03 K(o=-1,f=-4.9!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 30:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -1.47 K(o=-1.5,f=-11!) USER MOD Single : A 23 TYR OH : rot -119:sc= 0.758 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0895 USER MOD Single : A 26 LYS NZ :NH3+ 178:sc= 1.22 (180deg=1.11) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.11) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 49:sc= 1.12 USER MOD Single : A 38 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00871) USER MOD Single : A 40 ASN : amide:sc= 0.0301 K(o=0.03,f=-1.6) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 1.24 K(o=1.2,f=-8.9!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN :FLIP amide:sc= -1.2 F(o=-2.1!,f=-1.2) USER MOD Single : A 77 TYR OH : rot 68:sc= 1.16 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.0497 K(o=-0.05,f=-5.1!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 121:sc= 2.05 USER MOD Single : A 91 SER OG : rot -120:sc= 0.902 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 160:sc= 0.891 (180deg=0.66) USER MOD Single : A 98 THR OG1 : rot 78:sc= 0.86 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0764 USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 TYR OH : rot -115:sc= 1.16 USER MOD Single : A 104 THR OG1 : rot -73:sc= 0.871 USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.318 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.121 -4.266 15.172 1.00 0.00 N ATOM 2 CA ALA A 1 12.166 -4.392 13.726 1.00 0.00 C ATOM 3 C ALA A 1 11.225 -3.361 13.099 1.00 0.00 C ATOM 4 O ALA A 1 10.343 -2.830 13.772 1.00 0.00 O ATOM 5 CB ALA A 1 11.808 -5.825 13.327 1.00 0.00 C ATOM 0 H1 ALA A 1 13.045 -3.939 15.521 1.00 0.00 H new ATOM 0 H2 ALA A 1 11.388 -3.578 15.438 1.00 0.00 H new ATOM 0 H3 ALA A 1 11.898 -5.190 15.594 1.00 0.00 H new ATOM 0 HA ALA A 1 13.171 -4.191 13.355 1.00 0.00 H new ATOM 0 HB1 ALA A 1 11.842 -5.920 12.242 1.00 0.00 H new ATOM 0 HB2 ALA A 1 12.522 -6.516 13.774 1.00 0.00 H new ATOM 0 HB3 ALA A 1 10.804 -6.061 13.681 1.00 0.00 H new ATOM 11 N VAL A 2 11.445 -3.108 11.817 1.00 0.00 N ATOM 12 CA VAL A 2 10.603 -2.180 11.082 1.00 0.00 C ATOM 13 C VAL A 2 9.186 -2.750 10.986 1.00 0.00 C ATOM 14 O VAL A 2 9.006 -3.964 10.900 1.00 0.00 O ATOM 15 CB VAL A 2 11.222 -1.882 9.715 1.00 0.00 C ATOM 16 CG1 VAL A 2 11.046 -3.067 8.763 1.00 0.00 C ATOM 17 CG2 VAL A 2 10.634 -0.604 9.114 1.00 0.00 C ATOM 0 H VAL A 2 12.195 -3.530 11.269 1.00 0.00 H new ATOM 0 HA VAL A 2 10.535 -1.227 11.607 1.00 0.00 H new ATOM 0 HB VAL A 2 12.291 -1.724 9.859 1.00 0.00 H new ATOM 0 HG11 VAL A 2 11.495 -2.829 7.799 1.00 0.00 H new ATOM 0 HG12 VAL A 2 11.534 -3.947 9.183 1.00 0.00 H new ATOM 0 HG13 VAL A 2 9.984 -3.271 8.628 1.00 0.00 H new ATOM 0 HG21 VAL A 2 11.091 -0.415 8.143 1.00 0.00 H new ATOM 0 HG22 VAL A 2 9.557 -0.721 8.992 1.00 0.00 H new ATOM 0 HG23 VAL A 2 10.834 0.236 9.779 1.00 0.00 H new ATOM 27 N ILE A 3 8.217 -1.847 11.003 1.00 0.00 N ATOM 28 CA ILE A 3 6.827 -2.238 10.846 1.00 0.00 C ATOM 29 C ILE A 3 6.463 -2.227 9.360 1.00 0.00 C ATOM 30 O ILE A 3 6.799 -1.287 8.642 1.00 0.00 O ATOM 31 CB ILE A 3 5.921 -1.355 11.708 1.00 0.00 C ATOM 32 CG1 ILE A 3 6.070 -1.700 13.191 1.00 0.00 C ATOM 33 CG2 ILE A 3 4.466 -1.443 11.242 1.00 0.00 C ATOM 34 CD1 ILE A 3 5.342 -0.678 14.067 1.00 0.00 C ATOM 0 H ILE A 3 8.367 -0.845 11.123 1.00 0.00 H new ATOM 0 HA ILE A 3 6.675 -3.256 11.204 1.00 0.00 H new ATOM 0 HB ILE A 3 6.236 -0.319 11.585 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.669 -2.696 13.378 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.127 -1.726 13.458 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.843 -0.807 11.871 1.00 0.00 H new ATOM 0 HG22 ILE A 3 4.395 -1.111 10.206 1.00 0.00 H new ATOM 0 HG23 ILE A 3 4.122 -2.475 11.316 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.463 -0.946 15.116 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.762 0.313 13.895 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.282 -0.672 13.814 1.00 0.00 H new ATOM 46 N ASN A 4 5.780 -3.283 8.943 1.00 0.00 N ATOM 47 CA ASN A 4 5.435 -3.446 7.541 1.00 0.00 C ATOM 48 C ASN A 4 4.259 -4.416 7.419 1.00 0.00 C ATOM 49 O ASN A 4 4.240 -5.265 6.529 1.00 0.00 O ATOM 50 CB ASN A 4 6.609 -4.023 6.748 1.00 0.00 C ATOM 51 CG ASN A 4 6.937 -5.444 7.210 1.00 0.00 C ATOM 52 OD1 ASN A 4 6.496 -5.903 8.252 1.00 0.00 O ATOM 53 ND2 ASN A 4 7.732 -6.114 6.381 1.00 0.00 N ATOM 0 H ASN A 4 5.456 -4.035 9.552 1.00 0.00 H new ATOM 0 HA ASN A 4 5.178 -2.465 7.141 1.00 0.00 H new ATOM 0 HB2 ASN A 4 6.367 -4.029 5.685 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.484 -3.385 6.872 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.008 -7.071 6.601 1.00 0.00 H new ATOM 0 HD22 ASN A 4 8.066 -5.671 5.525 1.00 0.00 H new ATOM 60 N THR A 5 3.306 -4.258 8.326 1.00 0.00 N ATOM 61 CA THR A 5 2.158 -5.148 8.368 1.00 0.00 C ATOM 62 C THR A 5 0.867 -4.365 8.119 1.00 0.00 C ATOM 63 O THR A 5 0.881 -3.136 8.074 1.00 0.00 O ATOM 64 CB THR A 5 2.176 -5.879 9.711 1.00 0.00 C ATOM 65 OG1 THR A 5 2.227 -4.832 10.676 1.00 0.00 O ATOM 66 CG2 THR A 5 3.475 -6.657 9.937 1.00 0.00 C ATOM 0 H THR A 5 3.305 -3.527 9.037 1.00 0.00 H new ATOM 0 HA THR A 5 2.206 -5.894 7.575 1.00 0.00 H new ATOM 0 HB THR A 5 1.329 -6.563 9.763 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.240 -5.218 11.577 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.436 -7.157 10.905 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.596 -7.400 9.149 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.320 -5.968 9.919 1.00 0.00 H new ATOM 74 N PHE A 6 -0.218 -5.110 7.965 1.00 0.00 N ATOM 75 CA PHE A 6 -1.498 -4.507 7.636 1.00 0.00 C ATOM 76 C PHE A 6 -1.952 -3.548 8.738 1.00 0.00 C ATOM 77 O PHE A 6 -2.281 -2.394 8.466 1.00 0.00 O ATOM 78 CB PHE A 6 -2.512 -5.647 7.518 1.00 0.00 C ATOM 79 CG PHE A 6 -2.281 -6.564 6.316 1.00 0.00 C ATOM 80 CD1 PHE A 6 -2.606 -6.140 5.065 1.00 0.00 C ATOM 81 CD2 PHE A 6 -1.750 -7.803 6.498 1.00 0.00 C ATOM 82 CE1 PHE A 6 -2.391 -6.992 3.949 1.00 0.00 C ATOM 83 CE2 PHE A 6 -1.535 -8.654 5.382 1.00 0.00 C ATOM 84 CZ PHE A 6 -1.860 -8.230 4.131 1.00 0.00 C ATOM 0 H PHE A 6 -0.237 -6.125 8.062 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.415 -3.939 6.709 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.479 -6.244 8.429 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.514 -5.223 7.451 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.027 -5.156 4.920 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.492 -8.139 7.491 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -2.649 -6.656 2.956 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.113 -9.638 5.526 1.00 0.00 H new ATOM 0 HZ PHE A 6 -1.696 -8.877 3.282 1.00 0.00 H new ATOM 94 N ASP A 7 -1.957 -4.061 9.960 1.00 0.00 N ATOM 95 CA ASP A 7 -2.510 -3.320 11.081 1.00 0.00 C ATOM 96 C ASP A 7 -1.522 -2.232 11.506 1.00 0.00 C ATOM 97 O ASP A 7 -1.920 -1.213 12.068 1.00 0.00 O ATOM 98 CB ASP A 7 -2.750 -4.237 12.282 1.00 0.00 C ATOM 99 CG ASP A 7 -3.661 -5.435 12.010 1.00 0.00 C ATOM 100 OD1 ASP A 7 -4.227 -5.476 10.896 1.00 0.00 O ATOM 101 OD2 ASP A 7 -3.772 -6.283 12.922 1.00 0.00 O ATOM 0 H ASP A 7 -1.587 -4.981 10.198 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.458 -2.886 10.763 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.787 -4.605 12.637 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.183 -3.647 13.090 1.00 0.00 H new ATOM 106 N GLY A 8 -0.254 -2.485 11.220 1.00 0.00 N ATOM 107 CA GLY A 8 0.803 -1.581 11.641 1.00 0.00 C ATOM 108 C GLY A 8 0.860 -0.346 10.740 1.00 0.00 C ATOM 109 O GLY A 8 0.866 0.783 11.228 1.00 0.00 O ATOM 0 H GLY A 8 0.066 -3.303 10.702 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.635 -1.275 12.673 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.762 -2.099 11.615 1.00 0.00 H new ATOM 113 N VAL A 9 0.900 -0.602 9.440 1.00 0.00 N ATOM 114 CA VAL A 9 0.860 0.473 8.464 1.00 0.00 C ATOM 115 C VAL A 9 -0.436 1.268 8.640 1.00 0.00 C ATOM 116 O VAL A 9 -0.435 2.493 8.534 1.00 0.00 O ATOM 117 CB VAL A 9 1.025 -0.095 7.053 1.00 0.00 C ATOM 118 CG1 VAL A 9 0.722 0.968 5.995 1.00 0.00 C ATOM 119 CG2 VAL A 9 2.426 -0.679 6.858 1.00 0.00 C ATOM 0 H VAL A 9 0.960 -1.539 9.041 1.00 0.00 H new ATOM 0 HA VAL A 9 1.689 1.163 8.622 1.00 0.00 H new ATOM 0 HB VAL A 9 0.305 -0.904 6.931 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.847 0.538 5.001 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.304 1.317 6.113 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.407 1.807 6.116 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.517 -1.076 5.847 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.170 0.103 7.009 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.590 -1.480 7.579 1.00 0.00 H new ATOM 129 N ALA A 10 -1.509 0.538 8.907 1.00 0.00 N ATOM 130 CA ALA A 10 -2.816 1.155 9.052 1.00 0.00 C ATOM 131 C ALA A 10 -2.768 2.183 10.184 1.00 0.00 C ATOM 132 O ALA A 10 -3.401 3.234 10.100 1.00 0.00 O ATOM 133 CB ALA A 10 -3.868 0.071 9.294 1.00 0.00 C ATOM 0 H ALA A 10 -1.500 -0.475 9.027 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.094 1.682 8.140 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.849 0.534 9.403 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.883 -0.617 8.448 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.623 -0.478 10.203 1.00 0.00 H new ATOM 139 N ASP A 11 -2.009 1.844 11.216 1.00 0.00 N ATOM 140 CA ASP A 11 -1.953 2.674 12.407 1.00 0.00 C ATOM 141 C ASP A 11 -1.271 4.001 12.068 1.00 0.00 C ATOM 142 O ASP A 11 -1.731 5.063 12.484 1.00 0.00 O ATOM 143 CB ASP A 11 -1.142 1.995 13.513 1.00 0.00 C ATOM 144 CG ASP A 11 -1.965 1.478 14.694 1.00 0.00 C ATOM 145 OD1 ASP A 11 -2.749 0.530 14.468 1.00 0.00 O ATOM 146 OD2 ASP A 11 -1.792 2.041 15.796 1.00 0.00 O ATOM 0 H ASP A 11 -1.428 1.006 11.252 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.974 2.835 12.754 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.593 1.160 13.079 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.402 2.703 13.887 1.00 0.00 H new ATOM 151 N TYR A 12 -0.185 3.897 11.316 1.00 0.00 N ATOM 152 CA TYR A 12 0.591 5.071 10.957 1.00 0.00 C ATOM 153 C TYR A 12 -0.244 6.048 10.127 1.00 0.00 C ATOM 154 O TYR A 12 -0.143 7.261 10.304 1.00 0.00 O ATOM 155 CB TYR A 12 1.755 4.561 10.103 1.00 0.00 C ATOM 156 CG TYR A 12 2.977 4.125 10.914 1.00 0.00 C ATOM 157 CD1 TYR A 12 3.539 4.987 11.833 1.00 0.00 C ATOM 158 CD2 TYR A 12 3.516 2.868 10.727 1.00 0.00 C ATOM 159 CE1 TYR A 12 4.689 4.577 12.596 1.00 0.00 C ATOM 160 CE2 TYR A 12 4.666 2.457 11.490 1.00 0.00 C ATOM 161 CZ TYR A 12 5.196 3.332 12.387 1.00 0.00 C ATOM 162 OH TYR A 12 6.282 2.944 13.108 1.00 0.00 O ATOM 0 H TYR A 12 0.176 3.018 10.946 1.00 0.00 H new ATOM 0 HA TYR A 12 0.926 5.598 11.851 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.410 3.719 9.503 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.054 5.346 9.408 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.116 5.970 11.980 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.075 2.193 10.008 1.00 0.00 H new ATOM 0 HE1 TYR A 12 5.139 5.243 13.318 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.098 1.477 11.353 1.00 0.00 H new ATOM 0 HH TYR A 12 6.273 3.392 13.979 1.00 0.00 H new ATOM 172 N LEU A 13 -1.050 5.483 9.240 1.00 0.00 N ATOM 173 CA LEU A 13 -1.953 6.285 8.433 1.00 0.00 C ATOM 174 C LEU A 13 -2.833 7.135 9.351 1.00 0.00 C ATOM 175 O LEU A 13 -2.868 8.358 9.226 1.00 0.00 O ATOM 176 CB LEU A 13 -2.745 5.396 7.472 1.00 0.00 C ATOM 177 CG LEU A 13 -2.030 5.003 6.178 1.00 0.00 C ATOM 178 CD1 LEU A 13 -2.299 3.539 5.826 1.00 0.00 C ATOM 179 CD2 LEU A 13 -2.409 5.946 5.034 1.00 0.00 C ATOM 0 H LEU A 13 -1.096 4.480 9.063 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.391 6.974 7.803 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.026 4.485 8.000 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.670 5.911 7.211 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.956 5.104 6.337 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.779 3.286 4.902 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.940 2.899 6.632 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.370 3.388 5.693 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.887 5.644 4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.485 5.900 4.866 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.125 6.966 5.294 1.00 0.00 H new ATOM 191 N ILE A 14 -3.522 6.454 10.255 1.00 0.00 N ATOM 192 CA ILE A 14 -4.418 7.128 11.178 1.00 0.00 C ATOM 193 C ILE A 14 -3.647 8.217 11.927 1.00 0.00 C ATOM 194 O ILE A 14 -4.127 9.343 12.059 1.00 0.00 O ATOM 195 CB ILE A 14 -5.101 6.115 12.099 1.00 0.00 C ATOM 196 CG1 ILE A 14 -6.071 5.228 11.315 1.00 0.00 C ATOM 197 CG2 ILE A 14 -5.787 6.816 13.273 1.00 0.00 C ATOM 198 CD1 ILE A 14 -7.243 6.046 10.769 1.00 0.00 C ATOM 0 H ILE A 14 -3.477 5.441 10.368 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.223 7.623 10.634 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.334 5.463 12.517 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.544 4.746 10.491 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.446 4.434 11.961 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.264 6.073 13.912 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.046 7.368 13.850 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.540 7.507 12.894 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.917 5.392 10.216 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -7.782 6.507 11.597 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.866 6.823 10.105 1.00 0.00 H new ATOM 210 N ARG A 15 -2.466 7.845 12.396 1.00 0.00 N ATOM 211 CA ARG A 15 -1.730 8.687 13.324 1.00 0.00 C ATOM 212 C ARG A 15 -1.289 9.979 12.633 1.00 0.00 C ATOM 213 O ARG A 15 -1.764 11.062 12.971 1.00 0.00 O ATOM 214 CB ARG A 15 -0.498 7.961 13.868 1.00 0.00 C ATOM 215 CG ARG A 15 -0.217 8.368 15.316 1.00 0.00 C ATOM 216 CD ARG A 15 1.040 7.675 15.846 1.00 0.00 C ATOM 217 NE ARG A 15 1.128 7.841 17.314 1.00 0.00 N ATOM 218 CZ ARG A 15 0.504 7.051 18.199 1.00 0.00 C ATOM 219 NH1 ARG A 15 -0.358 6.118 17.772 1.00 0.00 N ATOM 220 NH2 ARG A 15 0.743 7.193 19.509 1.00 0.00 N ATOM 0 H ARG A 15 -2.000 6.972 12.151 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.394 8.924 14.155 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.653 6.883 13.813 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.368 8.191 13.247 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.093 9.449 15.376 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.071 8.110 15.942 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.015 6.615 15.592 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.926 8.096 15.370 1.00 0.00 H new ATOM 0 HE ARG A 15 1.700 8.605 17.675 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.539 6.009 16.774 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.833 5.517 18.445 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.400 7.902 19.834 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.268 6.592 20.182 1.00 0.00 H new ATOM 234 N TYR A 16 -0.385 9.821 11.676 1.00 0.00 N ATOM 235 CA TYR A 16 0.329 10.961 11.127 1.00 0.00 C ATOM 236 C TYR A 16 -0.342 11.462 9.845 1.00 0.00 C ATOM 237 O TYR A 16 0.068 12.476 9.282 1.00 0.00 O ATOM 238 CB TYR A 16 1.733 10.457 10.790 1.00 0.00 C ATOM 239 CG TYR A 16 2.583 10.118 12.016 1.00 0.00 C ATOM 240 CD1 TYR A 16 2.782 11.064 13.001 1.00 0.00 C ATOM 241 CD2 TYR A 16 3.151 8.866 12.137 1.00 0.00 C ATOM 242 CE1 TYR A 16 3.582 10.745 14.155 1.00 0.00 C ATOM 243 CE2 TYR A 16 3.951 8.547 13.291 1.00 0.00 C ATOM 244 CZ TYR A 16 4.127 9.502 14.243 1.00 0.00 C ATOM 245 OH TYR A 16 4.883 9.201 15.333 1.00 0.00 O ATOM 0 H TYR A 16 -0.131 8.921 11.268 1.00 0.00 H new ATOM 0 HA TYR A 16 0.341 11.786 11.839 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.649 9.570 10.163 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.249 11.216 10.201 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.338 12.044 12.906 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.995 8.126 11.366 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.746 11.476 14.933 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.401 7.571 13.398 1.00 0.00 H new ATOM 0 HH TYR A 16 5.207 8.279 15.262 1.00 0.00 H new ATOM 255 N LYS A 17 -1.360 10.728 9.423 1.00 0.00 N ATOM 256 CA LYS A 17 -2.155 11.138 8.277 1.00 0.00 C ATOM 257 C LYS A 17 -1.351 10.909 6.996 1.00 0.00 C ATOM 258 O LYS A 17 -1.513 11.637 6.018 1.00 0.00 O ATOM 259 CB LYS A 17 -2.638 12.580 8.450 1.00 0.00 C ATOM 260 CG LYS A 17 -3.946 12.813 7.691 1.00 0.00 C ATOM 261 CD LYS A 17 -4.358 14.286 7.749 1.00 0.00 C ATOM 262 CE LYS A 17 -5.720 14.501 7.087 1.00 0.00 C ATOM 263 NZ LYS A 17 -6.059 15.941 7.053 1.00 0.00 N ATOM 0 H LYS A 17 -1.653 9.851 9.854 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.057 10.530 8.201 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.784 12.794 9.509 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.875 13.269 8.088 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.828 12.505 6.652 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.734 12.194 8.119 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.398 14.615 8.787 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.606 14.897 7.250 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.705 14.101 6.073 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.487 13.954 7.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.987 16.069 6.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.093 16.313 8.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.336 16.455 6.511 1.00 0.00 H new ATOM 277 N ARG A 18 -0.500 9.894 7.043 1.00 0.00 N ATOM 278 CA ARG A 18 0.270 9.509 5.873 1.00 0.00 C ATOM 279 C ARG A 18 0.927 8.145 6.095 1.00 0.00 C ATOM 280 O ARG A 18 0.892 7.608 7.201 1.00 0.00 O ATOM 281 CB ARG A 18 1.353 10.544 5.561 1.00 0.00 C ATOM 282 CG ARG A 18 2.139 10.911 6.822 1.00 0.00 C ATOM 283 CD ARG A 18 3.321 11.822 6.485 1.00 0.00 C ATOM 284 NE ARG A 18 4.073 12.152 7.716 1.00 0.00 N ATOM 285 CZ ARG A 18 3.670 13.051 8.624 1.00 0.00 C ATOM 286 NH1 ARG A 18 2.537 13.738 8.429 1.00 0.00 N ATOM 287 NH2 ARG A 18 4.400 13.262 9.728 1.00 0.00 N ATOM 0 H ARG A 18 -0.327 9.327 7.873 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.417 9.452 5.028 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.033 10.148 4.806 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.895 11.439 5.140 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.481 11.411 7.533 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.501 10.004 7.306 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.978 11.329 5.769 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.963 12.736 6.012 1.00 0.00 H new ATOM 0 HE ARG A 18 4.953 11.665 7.884 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.981 13.577 7.589 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.230 14.422 9.120 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.262 12.738 9.877 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.093 13.946 10.419 1.00 0.00 H new ATOM 301 N LEU A 19 1.511 7.623 5.026 1.00 0.00 N ATOM 302 CA LEU A 19 2.233 6.365 5.106 1.00 0.00 C ATOM 303 C LEU A 19 3.492 6.557 5.954 1.00 0.00 C ATOM 304 O LEU A 19 3.897 7.687 6.222 1.00 0.00 O ATOM 305 CB LEU A 19 2.513 5.817 3.705 1.00 0.00 C ATOM 306 CG LEU A 19 1.331 5.155 2.995 1.00 0.00 C ATOM 307 CD1 LEU A 19 1.635 4.936 1.512 1.00 0.00 C ATOM 308 CD2 LEU A 19 0.929 3.855 3.696 1.00 0.00 C ATOM 0 H LEU A 19 1.499 8.049 4.099 1.00 0.00 H new ATOM 0 HA LEU A 19 1.625 5.609 5.603 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.873 6.635 3.082 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.322 5.090 3.776 1.00 0.00 H new ATOM 0 HG LEU A 19 0.477 5.829 3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.778 4.464 1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.835 5.896 1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.508 4.292 1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.087 3.404 3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.772 3.163 3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.642 4.070 4.725 1.00 0.00 H new ATOM 320 N PRO A 20 4.090 5.407 6.364 1.00 0.00 N ATOM 321 CA PRO A 20 5.423 5.422 6.942 1.00 0.00 C ATOM 322 C PRO A 20 6.487 5.632 5.862 1.00 0.00 C ATOM 323 O PRO A 20 6.207 5.487 4.673 1.00 0.00 O ATOM 324 CB PRO A 20 5.557 4.087 7.656 1.00 0.00 C ATOM 325 CG PRO A 20 4.483 3.188 7.065 1.00 0.00 C ATOM 326 CD PRO A 20 3.516 4.067 6.288 1.00 0.00 C ATOM 0 HA PRO A 20 5.570 6.248 7.638 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.549 3.661 7.505 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.420 4.204 8.731 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.929 2.440 6.410 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.959 2.649 7.854 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.422 3.735 5.254 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.517 4.039 6.724 1.00 0.00 H new ATOM 334 N ASP A 21 7.685 5.970 6.315 1.00 0.00 N ATOM 335 CA ASP A 21 8.711 6.470 5.416 1.00 0.00 C ATOM 336 C ASP A 21 9.537 5.296 4.888 1.00 0.00 C ATOM 337 O ASP A 21 10.505 5.493 4.154 1.00 0.00 O ATOM 338 CB ASP A 21 9.659 7.428 6.140 1.00 0.00 C ATOM 339 CG ASP A 21 10.654 8.159 5.237 1.00 0.00 C ATOM 340 OD1 ASP A 21 10.187 9.009 4.449 1.00 0.00 O ATOM 341 OD2 ASP A 21 11.860 7.852 5.356 1.00 0.00 O ATOM 0 H ASP A 21 7.968 5.907 7.293 1.00 0.00 H new ATOM 0 HA ASP A 21 8.216 6.999 4.602 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.064 8.169 6.674 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.217 6.866 6.889 1.00 0.00 H new ATOM 346 N ASN A 22 9.126 4.100 5.281 1.00 0.00 N ATOM 347 CA ASN A 22 9.793 2.892 4.827 1.00 0.00 C ATOM 348 C ASN A 22 9.292 2.533 3.426 1.00 0.00 C ATOM 349 O ASN A 22 9.914 1.736 2.726 1.00 0.00 O ATOM 350 CB ASN A 22 9.490 1.713 5.754 1.00 0.00 C ATOM 351 CG ASN A 22 7.985 1.449 5.830 1.00 0.00 C ATOM 352 OD1 ASN A 22 7.164 2.266 5.445 1.00 0.00 O ATOM 353 ND2 ASN A 22 7.669 0.264 6.346 1.00 0.00 N ATOM 0 H ASN A 22 8.338 3.941 5.910 1.00 0.00 H new ATOM 0 HA ASN A 22 10.866 3.081 4.824 1.00 0.00 H new ATOM 0 HB2 ASN A 22 10.002 0.821 5.393 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.877 1.921 6.751 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.690 -0.007 6.439 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.406 -0.373 6.649 1.00 0.00 H new ATOM 360 N TYR A 23 8.173 3.140 3.060 1.00 0.00 N ATOM 361 CA TYR A 23 7.610 2.936 1.736 1.00 0.00 C ATOM 362 C TYR A 23 7.927 4.118 0.818 1.00 0.00 C ATOM 363 O TYR A 23 7.467 5.234 1.055 1.00 0.00 O ATOM 364 CB TYR A 23 6.096 2.848 1.930 1.00 0.00 C ATOM 365 CG TYR A 23 5.632 1.571 2.635 1.00 0.00 C ATOM 366 CD1 TYR A 23 6.554 0.612 3.001 1.00 0.00 C ATOM 367 CD2 TYR A 23 4.292 1.380 2.904 1.00 0.00 C ATOM 368 CE1 TYR A 23 6.117 -0.589 3.665 1.00 0.00 C ATOM 369 CE2 TYR A 23 3.856 0.179 3.568 1.00 0.00 C ATOM 370 CZ TYR A 23 4.790 -0.747 3.915 1.00 0.00 C ATOM 371 OH TYR A 23 4.378 -1.881 4.542 1.00 0.00 O ATOM 0 H TYR A 23 7.641 3.773 3.657 1.00 0.00 H new ATOM 0 HA TYR A 23 8.025 2.039 1.277 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.763 3.711 2.507 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.611 2.910 0.956 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.602 0.762 2.790 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.571 2.131 2.617 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.828 -1.347 3.958 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.811 0.017 3.786 1.00 0.00 H new ATOM 0 HH TYR A 23 3.759 -2.370 3.961 1.00 0.00 H new ATOM 381 N ILE A 24 8.710 3.834 -0.212 1.00 0.00 N ATOM 382 CA ILE A 24 8.972 4.819 -1.248 1.00 0.00 C ATOM 383 C ILE A 24 7.954 4.648 -2.377 1.00 0.00 C ATOM 384 O ILE A 24 7.126 3.739 -2.339 1.00 0.00 O ATOM 385 CB ILE A 24 10.427 4.732 -1.713 1.00 0.00 C ATOM 386 CG1 ILE A 24 10.769 3.318 -2.187 1.00 0.00 C ATOM 387 CG2 ILE A 24 11.382 5.217 -0.621 1.00 0.00 C ATOM 388 CD1 ILE A 24 11.944 3.337 -3.166 1.00 0.00 C ATOM 0 H ILE A 24 9.172 2.935 -0.352 1.00 0.00 H new ATOM 0 HA ILE A 24 8.846 5.828 -0.856 1.00 0.00 H new ATOM 0 HB ILE A 24 10.552 5.396 -2.568 1.00 0.00 H new ATOM 0 HG12 ILE A 24 11.016 2.693 -1.329 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.898 2.871 -2.667 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.409 5.145 -0.978 1.00 0.00 H new ATOM 0 HG22 ILE A 24 11.156 6.254 -0.374 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.262 4.598 0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.166 2.319 -3.487 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.685 3.943 -4.034 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.820 3.762 -2.675 1.00 0.00 H new ATOM 400 N THR A 25 8.050 5.536 -3.356 1.00 0.00 N ATOM 401 CA THR A 25 7.158 5.485 -4.502 1.00 0.00 C ATOM 402 C THR A 25 7.798 4.689 -5.641 1.00 0.00 C ATOM 403 O THR A 25 8.967 4.315 -5.561 1.00 0.00 O ATOM 404 CB THR A 25 6.804 6.922 -4.890 1.00 0.00 C ATOM 405 OG1 THR A 25 8.011 7.648 -4.672 1.00 0.00 O ATOM 406 CG2 THR A 25 5.806 7.561 -3.922 1.00 0.00 C ATOM 0 H THR A 25 8.732 6.295 -3.379 1.00 0.00 H new ATOM 0 HA THR A 25 6.233 4.961 -4.260 1.00 0.00 H new ATOM 0 HB THR A 25 6.391 6.934 -5.898 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.872 8.591 -4.901 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.589 8.580 -4.243 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.884 6.979 -3.913 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.233 7.580 -2.919 1.00 0.00 H new ATOM 414 N LYS A 26 7.003 4.452 -6.674 1.00 0.00 N ATOM 415 CA LYS A 26 7.508 3.808 -7.875 1.00 0.00 C ATOM 416 C LYS A 26 8.709 4.596 -8.404 1.00 0.00 C ATOM 417 O LYS A 26 9.761 4.021 -8.679 1.00 0.00 O ATOM 418 CB LYS A 26 6.387 3.633 -8.901 1.00 0.00 C ATOM 419 CG LYS A 26 5.376 2.584 -8.434 1.00 0.00 C ATOM 420 CD LYS A 26 5.907 1.168 -8.666 1.00 0.00 C ATOM 421 CE LYS A 26 4.775 0.214 -9.048 1.00 0.00 C ATOM 422 NZ LYS A 26 3.932 -0.088 -7.869 1.00 0.00 N ATOM 0 H LYS A 26 6.013 4.694 -6.704 1.00 0.00 H new ATOM 0 HA LYS A 26 7.861 2.802 -7.648 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.881 4.586 -9.059 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.810 3.334 -9.860 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.162 2.727 -7.375 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.436 2.716 -8.970 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.658 1.182 -9.456 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.401 0.809 -7.763 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.165 0.660 -9.834 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.190 -0.709 -9.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.148 -0.710 -8.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.506 -0.564 -7.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.548 0.797 -7.481 1.00 0.00 H new ATOM 436 N SER A 27 8.511 5.900 -8.531 1.00 0.00 N ATOM 437 CA SER A 27 9.480 6.741 -9.213 1.00 0.00 C ATOM 438 C SER A 27 10.846 6.622 -8.534 1.00 0.00 C ATOM 439 O SER A 27 11.880 6.678 -9.198 1.00 0.00 O ATOM 440 CB SER A 27 9.023 8.201 -9.235 1.00 0.00 C ATOM 441 OG SER A 27 7.726 8.346 -9.805 1.00 0.00 O ATOM 0 H SER A 27 7.694 6.395 -8.173 1.00 0.00 H new ATOM 0 HA SER A 27 9.564 6.399 -10.245 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.018 8.595 -8.219 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.738 8.796 -9.804 1.00 0.00 H new ATOM 0 HG SER A 27 7.470 9.292 -9.799 1.00 0.00 H new ATOM 447 N GLN A 28 10.806 6.460 -7.220 1.00 0.00 N ATOM 448 CA GLN A 28 12.028 6.389 -6.437 1.00 0.00 C ATOM 449 C GLN A 28 12.769 5.082 -6.727 1.00 0.00 C ATOM 450 O GLN A 28 13.973 5.090 -6.980 1.00 0.00 O ATOM 451 CB GLN A 28 11.731 6.531 -4.943 1.00 0.00 C ATOM 452 CG GLN A 28 11.262 7.949 -4.609 1.00 0.00 C ATOM 453 CD GLN A 28 12.437 8.929 -4.609 1.00 0.00 C ATOM 454 OE1 GLN A 28 12.659 9.671 -5.552 1.00 0.00 O ATOM 455 NE2 GLN A 28 13.174 8.890 -3.503 1.00 0.00 N ATOM 0 H GLN A 28 9.946 6.376 -6.677 1.00 0.00 H new ATOM 0 HA GLN A 28 12.671 7.220 -6.727 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.965 5.813 -4.651 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.626 6.295 -4.367 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.516 8.270 -5.336 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.778 7.955 -3.632 1.00 0.00 H new ATOM 0 HE21 GLN A 28 12.932 8.244 -2.751 1.00 0.00 H new ATOM 0 HE22 GLN A 28 13.981 9.506 -3.406 1.00 0.00 H new ATOM 464 N ALA A 29 12.019 3.991 -6.681 1.00 0.00 N ATOM 465 CA ALA A 29 12.585 2.681 -6.956 1.00 0.00 C ATOM 466 C ALA A 29 13.208 2.683 -8.354 1.00 0.00 C ATOM 467 O ALA A 29 14.330 2.214 -8.538 1.00 0.00 O ATOM 468 CB ALA A 29 11.500 1.614 -6.803 1.00 0.00 C ATOM 0 H ALA A 29 11.024 3.987 -6.457 1.00 0.00 H new ATOM 0 HA ALA A 29 13.375 2.447 -6.243 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.924 0.631 -7.009 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.110 1.635 -5.785 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.691 1.814 -7.505 1.00 0.00 H new ATOM 474 N SER A 30 12.452 3.217 -9.303 1.00 0.00 N ATOM 475 CA SER A 30 12.869 3.189 -10.694 1.00 0.00 C ATOM 476 C SER A 30 14.158 3.993 -10.871 1.00 0.00 C ATOM 477 O SER A 30 15.057 3.579 -11.602 1.00 0.00 O ATOM 478 CB SER A 30 11.772 3.738 -11.609 1.00 0.00 C ATOM 479 OG SER A 30 10.994 2.697 -12.194 1.00 0.00 O ATOM 0 H SER A 30 11.554 3.671 -9.135 1.00 0.00 H new ATOM 0 HA SER A 30 13.054 2.152 -10.974 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.121 4.400 -11.038 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.225 4.339 -12.398 1.00 0.00 H new ATOM 0 HG SER A 30 10.304 3.088 -12.769 1.00 0.00 H new ATOM 485 N ALA A 31 14.209 5.127 -10.189 1.00 0.00 N ATOM 486 CA ALA A 31 15.365 6.003 -10.277 1.00 0.00 C ATOM 487 C ALA A 31 16.594 5.274 -9.730 1.00 0.00 C ATOM 488 O ALA A 31 17.696 5.426 -10.256 1.00 0.00 O ATOM 489 CB ALA A 31 15.078 7.305 -9.527 1.00 0.00 C ATOM 0 H ALA A 31 13.468 5.460 -9.572 1.00 0.00 H new ATOM 0 HA ALA A 31 15.571 6.264 -11.315 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.945 7.962 -9.593 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.214 7.799 -9.972 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.870 7.084 -8.480 1.00 0.00 H new ATOM 495 N LEU A 32 16.364 4.498 -8.682 1.00 0.00 N ATOM 496 CA LEU A 32 17.443 3.760 -8.046 1.00 0.00 C ATOM 497 C LEU A 32 17.883 2.617 -8.963 1.00 0.00 C ATOM 498 O LEU A 32 18.989 2.097 -8.824 1.00 0.00 O ATOM 499 CB LEU A 32 17.025 3.300 -6.647 1.00 0.00 C ATOM 500 CG LEU A 32 16.866 4.403 -5.598 1.00 0.00 C ATOM 501 CD1 LEU A 32 16.012 3.922 -4.423 1.00 0.00 C ATOM 502 CD2 LEU A 32 18.229 4.925 -5.141 1.00 0.00 C ATOM 0 H LEU A 32 15.447 4.364 -8.257 1.00 0.00 H new ATOM 0 HA LEU A 32 18.310 4.404 -7.899 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.079 2.765 -6.730 1.00 0.00 H new ATOM 0 HB3 LEU A 32 17.764 2.586 -6.285 1.00 0.00 H new ATOM 0 HG LEU A 32 16.339 5.239 -6.058 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.914 4.724 -3.692 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.024 3.638 -4.784 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.489 3.061 -3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 32 18.088 5.708 -4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.804 4.108 -4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 32 18.768 5.332 -5.996 1.00 0.00 H new ATOM 514 N GLY A 33 16.995 2.261 -9.880 1.00 0.00 N ATOM 515 CA GLY A 33 17.362 1.375 -10.971 1.00 0.00 C ATOM 516 C GLY A 33 16.609 0.046 -10.875 1.00 0.00 C ATOM 517 O GLY A 33 16.936 -0.909 -11.578 1.00 0.00 O ATOM 0 H GLY A 33 16.023 2.570 -9.890 1.00 0.00 H new ATOM 0 HA2 GLY A 33 17.140 1.855 -11.924 1.00 0.00 H new ATOM 0 HA3 GLY A 33 18.436 1.191 -10.949 1.00 0.00 H new ATOM 521 N TRP A 34 15.616 0.027 -9.999 1.00 0.00 N ATOM 522 CA TRP A 34 14.717 -1.111 -9.911 1.00 0.00 C ATOM 523 C TRP A 34 14.033 -1.279 -11.269 1.00 0.00 C ATOM 524 O TRP A 34 13.710 -0.295 -11.931 1.00 0.00 O ATOM 525 CB TRP A 34 13.725 -0.938 -8.759 1.00 0.00 C ATOM 526 CG TRP A 34 12.502 -1.854 -8.848 1.00 0.00 C ATOM 527 CD1 TRP A 34 12.448 -3.178 -8.652 1.00 0.00 C ATOM 528 CD2 TRP A 34 11.152 -1.456 -9.166 1.00 0.00 C ATOM 529 NE1 TRP A 34 11.166 -3.662 -8.819 1.00 0.00 N ATOM 530 CE2 TRP A 34 10.353 -2.581 -9.142 1.00 0.00 C ATOM 531 CE3 TRP A 34 10.623 -0.188 -9.464 1.00 0.00 C ATOM 532 CZ2 TRP A 34 8.979 -2.552 -9.407 1.00 0.00 C ATOM 533 CZ3 TRP A 34 9.248 -0.175 -9.727 1.00 0.00 C ATOM 534 CH2 TRP A 34 8.430 -1.299 -9.707 1.00 0.00 C ATOM 0 H TRP A 34 15.414 0.782 -9.343 1.00 0.00 H new ATOM 0 HA TRP A 34 15.270 -2.023 -9.685 1.00 0.00 H new ATOM 0 HB2 TRP A 34 14.241 -1.128 -7.818 1.00 0.00 H new ATOM 0 HB3 TRP A 34 13.389 0.099 -8.735 1.00 0.00 H new ATOM 0 HD1 TRP A 34 13.300 -3.790 -8.396 1.00 0.00 H new ATOM 0 HE1 TRP A 34 10.870 -4.633 -8.723 1.00 0.00 H new ATOM 0 HE3 TRP A 34 11.229 0.705 -9.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 8.375 -3.447 -9.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 8.791 0.775 -9.962 1.00 0.00 H new ATOM 0 HH2 TRP A 34 7.376 -1.206 -9.922 1.00 0.00 H new ATOM 545 N VAL A 35 13.832 -2.534 -11.643 1.00 0.00 N ATOM 546 CA VAL A 35 13.034 -2.847 -12.815 1.00 0.00 C ATOM 547 C VAL A 35 11.993 -3.908 -12.450 1.00 0.00 C ATOM 548 O VAL A 35 12.301 -4.869 -11.748 1.00 0.00 O ATOM 549 CB VAL A 35 13.943 -3.274 -13.969 1.00 0.00 C ATOM 550 CG1 VAL A 35 13.147 -3.428 -15.267 1.00 0.00 C ATOM 551 CG2 VAL A 35 15.100 -2.289 -14.149 1.00 0.00 C ATOM 0 H VAL A 35 14.209 -3.346 -11.154 1.00 0.00 H new ATOM 0 HA VAL A 35 12.493 -1.964 -13.155 1.00 0.00 H new ATOM 0 HB VAL A 35 14.367 -4.247 -13.719 1.00 0.00 H new ATOM 0 HG11 VAL A 35 13.817 -3.732 -16.071 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.375 -4.185 -15.132 1.00 0.00 H new ATOM 0 HG13 VAL A 35 12.681 -2.476 -15.523 1.00 0.00 H new ATOM 0 HG21 VAL A 35 15.731 -2.616 -14.976 1.00 0.00 H new ATOM 0 HG22 VAL A 35 14.703 -1.297 -14.366 1.00 0.00 H new ATOM 0 HG23 VAL A 35 15.691 -2.251 -13.234 1.00 0.00 H new ATOM 561 N ALA A 36 10.782 -3.697 -12.944 1.00 0.00 N ATOM 562 CA ALA A 36 9.674 -4.576 -12.610 1.00 0.00 C ATOM 563 C ALA A 36 9.656 -5.758 -13.581 1.00 0.00 C ATOM 564 O ALA A 36 8.658 -5.995 -14.258 1.00 0.00 O ATOM 565 CB ALA A 36 8.366 -3.782 -12.635 1.00 0.00 C ATOM 0 H ALA A 36 10.544 -2.930 -13.573 1.00 0.00 H new ATOM 0 HA ALA A 36 9.793 -4.977 -11.603 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.535 -4.442 -12.384 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.418 -2.972 -11.908 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.212 -3.366 -13.631 1.00 0.00 H new ATOM 571 N SER A 37 10.774 -6.470 -13.617 1.00 0.00 N ATOM 572 CA SER A 37 10.951 -7.535 -14.589 1.00 0.00 C ATOM 573 C SER A 37 12.314 -8.202 -14.390 1.00 0.00 C ATOM 574 O SER A 37 12.403 -9.426 -14.300 1.00 0.00 O ATOM 575 CB SER A 37 10.823 -7.004 -16.018 1.00 0.00 C ATOM 576 OG SER A 37 9.499 -7.146 -16.523 1.00 0.00 O ATOM 0 H SER A 37 11.565 -6.330 -12.989 1.00 0.00 H new ATOM 0 HA SER A 37 10.165 -8.274 -14.434 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.109 -5.952 -16.041 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.518 -7.538 -16.667 1.00 0.00 H new ATOM 0 HG SER A 37 8.859 -6.802 -15.865 1.00 0.00 H new ATOM 582 N LYS A 38 13.342 -7.369 -14.329 1.00 0.00 N ATOM 583 CA LYS A 38 14.708 -7.863 -14.338 1.00 0.00 C ATOM 584 C LYS A 38 15.117 -8.246 -12.915 1.00 0.00 C ATOM 585 O LYS A 38 15.504 -9.386 -12.662 1.00 0.00 O ATOM 586 CB LYS A 38 15.642 -6.844 -14.993 1.00 0.00 C ATOM 587 CG LYS A 38 17.004 -7.468 -15.304 1.00 0.00 C ATOM 588 CD LYS A 38 17.187 -7.663 -16.810 1.00 0.00 C ATOM 589 CE LYS A 38 16.448 -8.911 -17.296 1.00 0.00 C ATOM 590 NZ LYS A 38 15.151 -8.541 -17.906 1.00 0.00 N ATOM 0 H LYS A 38 13.256 -6.354 -14.273 1.00 0.00 H new ATOM 0 HA LYS A 38 14.782 -8.765 -14.945 1.00 0.00 H new ATOM 0 HB2 LYS A 38 15.191 -6.470 -15.912 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.773 -5.988 -14.331 1.00 0.00 H new ATOM 0 HG2 LYS A 38 17.798 -6.829 -14.917 1.00 0.00 H new ATOM 0 HG3 LYS A 38 17.092 -8.428 -14.796 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.816 -6.787 -17.341 1.00 0.00 H new ATOM 0 HD3 LYS A 38 18.248 -7.751 -17.042 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.060 -9.443 -18.024 1.00 0.00 H new ATOM 0 HE3 LYS A 38 16.283 -9.591 -16.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.685 -9.394 -18.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.543 -8.099 -17.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 15.312 -7.870 -18.684 1.00 0.00 H new ATOM 604 N GLY A 39 15.018 -7.272 -12.022 1.00 0.00 N ATOM 605 CA GLY A 39 15.585 -7.415 -10.692 1.00 0.00 C ATOM 606 C GLY A 39 14.543 -7.103 -9.615 1.00 0.00 C ATOM 607 O GLY A 39 13.744 -6.181 -9.769 1.00 0.00 O ATOM 0 H GLY A 39 14.553 -6.380 -12.194 1.00 0.00 H new ATOM 0 HA2 GLY A 39 15.958 -8.431 -10.559 1.00 0.00 H new ATOM 0 HA3 GLY A 39 16.438 -6.745 -10.583 1.00 0.00 H new ATOM 611 N ASN A 40 14.586 -7.889 -8.550 1.00 0.00 N ATOM 612 CA ASN A 40 13.654 -7.710 -7.450 1.00 0.00 C ATOM 613 C ASN A 40 13.994 -6.418 -6.704 1.00 0.00 C ATOM 614 O ASN A 40 15.063 -5.845 -6.904 1.00 0.00 O ATOM 615 CB ASN A 40 13.747 -8.869 -6.455 1.00 0.00 C ATOM 616 CG ASN A 40 15.144 -8.951 -5.837 1.00 0.00 C ATOM 617 OD1 ASN A 40 16.105 -9.367 -6.464 1.00 0.00 O ATOM 618 ND2 ASN A 40 15.203 -8.531 -4.577 1.00 0.00 N ATOM 0 H ASN A 40 15.252 -8.652 -8.425 1.00 0.00 H new ATOM 0 HA ASN A 40 12.647 -7.671 -7.865 1.00 0.00 H new ATOM 0 HB2 ASN A 40 13.005 -8.738 -5.668 1.00 0.00 H new ATOM 0 HB3 ASN A 40 13.513 -9.806 -6.960 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.091 -8.545 -4.076 1.00 0.00 H new ATOM 0 HD22 ASN A 40 14.360 -8.195 -4.111 1.00 0.00 H new ATOM 625 N LEU A 41 13.063 -5.998 -5.860 1.00 0.00 N ATOM 626 CA LEU A 41 13.101 -4.652 -5.314 1.00 0.00 C ATOM 627 C LEU A 41 14.289 -4.528 -4.357 1.00 0.00 C ATOM 628 O LEU A 41 15.167 -3.689 -4.558 1.00 0.00 O ATOM 629 CB LEU A 41 11.758 -4.295 -4.675 1.00 0.00 C ATOM 630 CG LEU A 41 11.506 -2.805 -4.431 1.00 0.00 C ATOM 631 CD1 LEU A 41 11.590 -2.014 -5.737 1.00 0.00 C ATOM 632 CD2 LEU A 41 10.174 -2.585 -3.711 1.00 0.00 C ATOM 0 H LEU A 41 12.278 -6.566 -5.541 1.00 0.00 H new ATOM 0 HA LEU A 41 13.254 -3.923 -6.109 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.961 -4.678 -5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.682 -4.817 -3.721 1.00 0.00 H new ATOM 0 HG LEU A 41 12.291 -2.428 -3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.407 -0.959 -5.536 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.582 -2.134 -6.172 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.840 -2.385 -6.436 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.019 -1.518 -3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.361 -2.982 -4.320 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.191 -3.098 -2.750 1.00 0.00 H new ATOM 644 N ALA A 42 14.279 -5.375 -3.339 1.00 0.00 N ATOM 645 CA ALA A 42 15.178 -5.199 -2.210 1.00 0.00 C ATOM 646 C ALA A 42 16.617 -5.100 -2.720 1.00 0.00 C ATOM 647 O ALA A 42 17.459 -4.460 -2.093 1.00 0.00 O ATOM 648 CB ALA A 42 14.987 -6.350 -1.221 1.00 0.00 C ATOM 0 H ALA A 42 13.663 -6.185 -3.272 1.00 0.00 H new ATOM 0 HA ALA A 42 14.952 -4.274 -1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 42 15.661 -6.218 -0.375 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.956 -6.358 -0.866 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.207 -7.296 -1.716 1.00 0.00 H new ATOM 654 N GLU A 43 16.855 -5.745 -3.853 1.00 0.00 N ATOM 655 CA GLU A 43 18.194 -5.801 -4.415 1.00 0.00 C ATOM 656 C GLU A 43 18.719 -4.388 -4.677 1.00 0.00 C ATOM 657 O GLU A 43 19.835 -4.054 -4.282 1.00 0.00 O ATOM 658 CB GLU A 43 18.217 -6.640 -5.694 1.00 0.00 C ATOM 659 CG GLU A 43 19.652 -6.882 -6.165 1.00 0.00 C ATOM 660 CD GLU A 43 20.055 -5.867 -7.237 1.00 0.00 C ATOM 661 OE1 GLU A 43 19.584 -6.034 -8.383 1.00 0.00 O ATOM 662 OE2 GLU A 43 20.825 -4.947 -6.887 1.00 0.00 O ATOM 0 H GLU A 43 16.143 -6.233 -4.397 1.00 0.00 H new ATOM 0 HA GLU A 43 18.851 -6.283 -3.691 1.00 0.00 H new ATOM 0 HB2 GLU A 43 17.723 -7.595 -5.516 1.00 0.00 H new ATOM 0 HB3 GLU A 43 17.654 -6.132 -6.477 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.334 -6.811 -5.317 1.00 0.00 H new ATOM 0 HG3 GLU A 43 19.742 -7.893 -6.563 1.00 0.00 H new ATOM 669 N VAL A 44 17.890 -3.596 -5.341 1.00 0.00 N ATOM 670 CA VAL A 44 18.328 -2.305 -5.842 1.00 0.00 C ATOM 671 C VAL A 44 17.980 -1.221 -4.819 1.00 0.00 C ATOM 672 O VAL A 44 18.723 -0.255 -4.655 1.00 0.00 O ATOM 673 CB VAL A 44 17.718 -2.044 -7.220 1.00 0.00 C ATOM 674 CG1 VAL A 44 18.153 -0.681 -7.763 1.00 0.00 C ATOM 675 CG2 VAL A 44 18.077 -3.163 -8.199 1.00 0.00 C ATOM 0 H VAL A 44 16.917 -3.824 -5.544 1.00 0.00 H new ATOM 0 HA VAL A 44 19.410 -2.293 -5.973 1.00 0.00 H new ATOM 0 HB VAL A 44 16.634 -2.030 -7.109 1.00 0.00 H new ATOM 0 HG11 VAL A 44 17.705 -0.520 -8.744 1.00 0.00 H new ATOM 0 HG12 VAL A 44 17.825 0.104 -7.081 1.00 0.00 H new ATOM 0 HG13 VAL A 44 19.239 -0.654 -7.851 1.00 0.00 H new ATOM 0 HG21 VAL A 44 17.631 -2.953 -9.171 1.00 0.00 H new ATOM 0 HG22 VAL A 44 19.160 -3.222 -8.302 1.00 0.00 H new ATOM 0 HG23 VAL A 44 17.696 -4.112 -7.822 1.00 0.00 H new ATOM 685 N ALA A 45 16.849 -1.418 -4.158 1.00 0.00 N ATOM 686 CA ALA A 45 16.407 -0.485 -3.136 1.00 0.00 C ATOM 687 C ALA A 45 16.046 -1.259 -1.866 1.00 0.00 C ATOM 688 O ALA A 45 14.886 -1.609 -1.656 1.00 0.00 O ATOM 689 CB ALA A 45 15.233 0.339 -3.669 1.00 0.00 C ATOM 0 H ALA A 45 16.225 -2.210 -4.310 1.00 0.00 H new ATOM 0 HA ALA A 45 17.206 0.212 -2.882 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.902 1.039 -2.902 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.549 0.893 -4.553 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.411 -0.327 -3.932 1.00 0.00 H new ATOM 695 N PRO A 46 17.090 -1.509 -1.030 1.00 0.00 N ATOM 696 CA PRO A 46 16.917 -2.328 0.158 1.00 0.00 C ATOM 697 C PRO A 46 16.179 -1.556 1.254 1.00 0.00 C ATOM 698 O PRO A 46 16.184 -0.326 1.263 1.00 0.00 O ATOM 699 CB PRO A 46 18.324 -2.736 0.563 1.00 0.00 C ATOM 700 CG PRO A 46 19.257 -1.757 -0.131 1.00 0.00 C ATOM 701 CD PRO A 46 18.456 -1.021 -1.192 1.00 0.00 C ATOM 0 HA PRO A 46 16.299 -3.207 -0.024 1.00 0.00 H new ATOM 0 HB2 PRO A 46 18.447 -2.693 1.645 1.00 0.00 H new ATOM 0 HB3 PRO A 46 18.536 -3.761 0.259 1.00 0.00 H new ATOM 0 HG2 PRO A 46 19.675 -1.053 0.588 1.00 0.00 H new ATOM 0 HG3 PRO A 46 20.096 -2.285 -0.584 1.00 0.00 H new ATOM 0 HD2 PRO A 46 18.510 0.059 -1.051 1.00 0.00 H new ATOM 0 HD3 PRO A 46 18.836 -1.231 -2.192 1.00 0.00 H new ATOM 709 N GLY A 47 15.562 -2.311 2.151 1.00 0.00 N ATOM 710 CA GLY A 47 14.928 -1.719 3.317 1.00 0.00 C ATOM 711 C GLY A 47 13.580 -1.094 2.951 1.00 0.00 C ATOM 712 O GLY A 47 12.896 -0.538 3.808 1.00 0.00 O ATOM 0 H GLY A 47 15.488 -3.327 2.094 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.783 -2.481 4.083 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.582 -0.958 3.744 1.00 0.00 H new ATOM 716 N LYS A 48 13.239 -1.207 1.675 1.00 0.00 N ATOM 717 CA LYS A 48 12.248 -0.324 1.085 1.00 0.00 C ATOM 718 C LYS A 48 11.185 -1.162 0.371 1.00 0.00 C ATOM 719 O LYS A 48 11.513 -2.111 -0.340 1.00 0.00 O ATOM 720 CB LYS A 48 12.922 0.712 0.183 1.00 0.00 C ATOM 721 CG LYS A 48 12.735 2.126 0.737 1.00 0.00 C ATOM 722 CD LYS A 48 13.573 2.336 1.999 1.00 0.00 C ATOM 723 CE LYS A 48 13.466 3.779 2.495 1.00 0.00 C ATOM 724 NZ LYS A 48 14.181 3.941 3.780 1.00 0.00 N ATOM 0 H LYS A 48 13.632 -1.897 1.034 1.00 0.00 H new ATOM 0 HA LYS A 48 11.737 0.247 1.860 1.00 0.00 H new ATOM 0 HB2 LYS A 48 13.985 0.489 0.098 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.503 0.653 -0.821 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.021 2.857 -0.019 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.682 2.296 0.963 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.238 1.654 2.780 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.616 2.095 1.792 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.885 4.457 1.751 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.418 4.050 2.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.098 4.926 4.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.763 3.308 4.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.185 3.703 3.651 1.00 0.00 H new ATOM 738 N SER A 49 9.934 -0.782 0.586 1.00 0.00 N ATOM 739 CA SER A 49 8.852 -1.257 -0.259 1.00 0.00 C ATOM 740 C SER A 49 8.242 -0.088 -1.035 1.00 0.00 C ATOM 741 O SER A 49 8.681 1.052 -0.894 1.00 0.00 O ATOM 742 CB SER A 49 7.777 -1.963 0.570 1.00 0.00 C ATOM 743 OG SER A 49 8.341 -2.829 1.551 1.00 0.00 O ATOM 0 H SER A 49 9.646 -0.150 1.333 1.00 0.00 H new ATOM 0 HA SER A 49 9.261 -1.979 -0.966 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.151 -1.218 1.061 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.129 -2.538 -0.091 1.00 0.00 H new ATOM 0 HG SER A 49 7.622 -3.259 2.060 1.00 0.00 H new ATOM 749 N ILE A 50 7.239 -0.412 -1.838 1.00 0.00 N ATOM 750 CA ILE A 50 6.454 0.612 -2.506 1.00 0.00 C ATOM 751 C ILE A 50 5.257 0.984 -1.629 1.00 0.00 C ATOM 752 O ILE A 50 4.770 0.161 -0.855 1.00 0.00 O ATOM 753 CB ILE A 50 6.068 0.157 -3.914 1.00 0.00 C ATOM 754 CG1 ILE A 50 7.288 -0.361 -4.678 1.00 0.00 C ATOM 755 CG2 ILE A 50 5.349 1.275 -4.674 1.00 0.00 C ATOM 756 CD1 ILE A 50 8.375 0.712 -4.769 1.00 0.00 C ATOM 0 H ILE A 50 6.952 -1.369 -2.041 1.00 0.00 H new ATOM 0 HA ILE A 50 7.044 1.518 -2.640 1.00 0.00 H new ATOM 0 HB ILE A 50 5.368 -0.674 -3.824 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.685 -1.245 -4.179 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.990 -0.668 -5.681 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.086 0.925 -5.672 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.443 1.556 -4.137 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.006 2.141 -4.755 1.00 0.00 H new ATOM 0 HD11 ILE A 50 9.231 0.317 -5.317 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.982 1.585 -5.290 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.688 0.999 -3.765 1.00 0.00 H new ATOM 768 N GLY A 51 4.816 2.224 -1.780 1.00 0.00 N ATOM 769 CA GLY A 51 3.479 2.600 -1.350 1.00 0.00 C ATOM 770 C GLY A 51 3.175 4.054 -1.718 1.00 0.00 C ATOM 771 O GLY A 51 4.077 4.810 -2.073 1.00 0.00 O ATOM 0 H GLY A 51 5.360 2.981 -2.194 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.745 1.942 -1.815 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.389 2.467 -0.272 1.00 0.00 H new ATOM 775 N GLY A 52 1.900 4.400 -1.621 1.00 0.00 N ATOM 776 CA GLY A 52 1.457 5.736 -1.983 1.00 0.00 C ATOM 777 C GLY A 52 1.004 5.786 -3.444 1.00 0.00 C ATOM 778 O GLY A 52 0.761 6.863 -3.986 1.00 0.00 O ATOM 0 H GLY A 52 1.159 3.778 -1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.636 6.039 -1.333 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.268 6.447 -1.825 1.00 0.00 H new ATOM 782 N ASP A 53 0.904 4.607 -4.040 1.00 0.00 N ATOM 783 CA ASP A 53 0.425 4.497 -5.407 1.00 0.00 C ATOM 784 C ASP A 53 -1.105 4.463 -5.405 1.00 0.00 C ATOM 785 O ASP A 53 -1.720 4.118 -4.397 1.00 0.00 O ATOM 786 CB ASP A 53 0.925 3.210 -6.065 1.00 0.00 C ATOM 787 CG ASP A 53 2.447 3.053 -6.105 1.00 0.00 C ATOM 788 OD1 ASP A 53 3.128 4.093 -5.968 1.00 0.00 O ATOM 789 OD2 ASP A 53 2.894 1.898 -6.272 1.00 0.00 O ATOM 0 H ASP A 53 1.147 3.719 -3.601 1.00 0.00 H new ATOM 0 HA ASP A 53 0.799 5.355 -5.965 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.501 2.359 -5.532 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.544 3.170 -7.085 1.00 0.00 H new ATOM 794 N VAL A 54 -1.675 4.825 -6.545 1.00 0.00 N ATOM 795 CA VAL A 54 -3.119 4.943 -6.656 1.00 0.00 C ATOM 796 C VAL A 54 -3.725 3.554 -6.863 1.00 0.00 C ATOM 797 O VAL A 54 -3.139 2.711 -7.541 1.00 0.00 O ATOM 798 CB VAL A 54 -3.479 5.925 -7.772 1.00 0.00 C ATOM 799 CG1 VAL A 54 -4.993 5.977 -7.989 1.00 0.00 C ATOM 800 CG2 VAL A 54 -2.920 7.318 -7.478 1.00 0.00 C ATOM 0 H VAL A 54 -1.163 5.041 -7.400 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.541 5.348 -5.736 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.020 5.567 -8.694 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.222 6.683 -8.788 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.355 4.987 -8.265 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.482 6.299 -7.069 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.190 7.997 -8.287 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.336 7.687 -6.541 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.834 7.265 -7.397 1.00 0.00 H new ATOM 810 N PHE A 55 -4.891 3.357 -6.266 1.00 0.00 N ATOM 811 CA PHE A 55 -5.517 2.045 -6.259 1.00 0.00 C ATOM 812 C PHE A 55 -6.366 1.836 -7.514 1.00 0.00 C ATOM 813 O PHE A 55 -6.440 0.727 -8.040 1.00 0.00 O ATOM 814 CB PHE A 55 -6.424 1.989 -5.028 1.00 0.00 C ATOM 815 CG PHE A 55 -7.347 0.770 -4.991 1.00 0.00 C ATOM 816 CD1 PHE A 55 -6.840 -0.459 -4.701 1.00 0.00 C ATOM 817 CD2 PHE A 55 -8.675 0.914 -5.248 1.00 0.00 C ATOM 818 CE1 PHE A 55 -7.697 -1.590 -4.666 1.00 0.00 C ATOM 819 CE2 PHE A 55 -9.532 -0.218 -5.213 1.00 0.00 C ATOM 820 CZ PHE A 55 -9.025 -1.446 -4.923 1.00 0.00 C ATOM 0 H PHE A 55 -5.419 4.084 -5.783 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.753 1.268 -6.237 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.804 1.990 -4.132 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -7.032 2.893 -4.996 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.786 -0.574 -4.497 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.078 1.889 -5.479 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.295 -2.565 -4.435 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -10.586 -0.104 -5.417 1.00 0.00 H new ATOM 0 HZ PHE A 55 -9.677 -2.307 -4.897 1.00 0.00 H new ATOM 830 N SER A 56 -6.986 2.920 -7.958 1.00 0.00 N ATOM 831 CA SER A 56 -7.796 2.878 -9.163 1.00 0.00 C ATOM 832 C SER A 56 -8.972 1.918 -8.971 1.00 0.00 C ATOM 833 O SER A 56 -8.911 0.764 -9.392 1.00 0.00 O ATOM 834 CB SER A 56 -6.960 2.458 -10.374 1.00 0.00 C ATOM 835 OG SER A 56 -5.768 3.229 -10.493 1.00 0.00 O ATOM 0 H SER A 56 -6.943 3.833 -7.504 1.00 0.00 H new ATOM 0 HA SER A 56 -8.181 3.880 -9.351 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.702 1.402 -10.288 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.555 2.568 -11.281 1.00 0.00 H new ATOM 0 HG SER A 56 -5.261 2.929 -11.277 1.00 0.00 H new ATOM 841 N ASN A 57 -10.015 2.431 -8.335 1.00 0.00 N ATOM 842 CA ASN A 57 -11.170 1.612 -8.010 1.00 0.00 C ATOM 843 C ASN A 57 -12.059 1.476 -9.248 1.00 0.00 C ATOM 844 O ASN A 57 -13.030 2.215 -9.403 1.00 0.00 O ATOM 845 CB ASN A 57 -12.003 2.251 -6.897 1.00 0.00 C ATOM 846 CG ASN A 57 -13.078 1.286 -6.394 1.00 0.00 C ATOM 847 OD1 ASN A 57 -13.458 0.336 -7.059 1.00 0.00 O ATOM 848 ND2 ASN A 57 -13.545 1.580 -5.184 1.00 0.00 N ATOM 0 H ASN A 57 -10.084 3.404 -8.036 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.810 0.639 -7.677 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.353 2.539 -6.071 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -12.472 3.163 -7.267 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.265 0.995 -4.759 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.184 2.390 -4.681 1.00 0.00 H new ATOM 855 N ARG A 58 -11.694 0.528 -10.098 1.00 0.00 N ATOM 856 CA ARG A 58 -12.523 0.189 -11.242 1.00 0.00 C ATOM 857 C ARG A 58 -13.639 -0.771 -10.824 1.00 0.00 C ATOM 858 O ARG A 58 -13.626 -1.297 -9.712 1.00 0.00 O ATOM 859 CB ARG A 58 -11.692 -0.458 -12.352 1.00 0.00 C ATOM 860 CG ARG A 58 -11.086 0.603 -13.273 1.00 0.00 C ATOM 861 CD ARG A 58 -10.018 1.419 -12.541 1.00 0.00 C ATOM 862 NE ARG A 58 -9.243 2.224 -13.511 1.00 0.00 N ATOM 863 CZ ARG A 58 -8.182 1.766 -14.189 1.00 0.00 C ATOM 864 NH1 ARG A 58 -7.856 0.468 -14.127 1.00 0.00 N ATOM 865 NH2 ARG A 58 -7.448 2.607 -14.931 1.00 0.00 N ATOM 0 H ARG A 58 -10.835 -0.016 -10.017 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.958 1.114 -11.621 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.897 -1.060 -11.912 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -12.319 -1.134 -12.933 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -10.646 0.123 -14.147 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -11.871 1.267 -13.635 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.488 2.073 -11.807 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -9.351 0.753 -11.994 1.00 0.00 H new ATOM 0 HE ARG A 58 -9.535 3.188 -13.674 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -8.416 -0.172 -13.563 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.048 0.120 -14.643 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.697 3.595 -14.979 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.640 2.259 -15.447 1.00 0.00 H new ATOM 879 N GLU A 59 -14.577 -0.971 -11.738 1.00 0.00 N ATOM 880 CA GLU A 59 -15.770 -1.740 -11.429 1.00 0.00 C ATOM 881 C GLU A 59 -16.535 -1.092 -10.273 1.00 0.00 C ATOM 882 O GLU A 59 -17.466 -0.321 -10.495 1.00 0.00 O ATOM 883 CB GLU A 59 -15.418 -3.194 -11.107 1.00 0.00 C ATOM 884 CG GLU A 59 -15.104 -3.977 -12.383 1.00 0.00 C ATOM 885 CD GLU A 59 -13.728 -3.599 -12.935 1.00 0.00 C ATOM 886 OE1 GLU A 59 -12.734 -3.921 -12.250 1.00 0.00 O ATOM 887 OE2 GLU A 59 -13.702 -2.996 -14.029 1.00 0.00 O ATOM 0 H GLU A 59 -14.535 -0.614 -12.692 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.414 -1.743 -12.309 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.559 -3.224 -10.437 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -16.249 -3.665 -10.582 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.135 -5.046 -12.174 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.868 -3.777 -13.134 1.00 0.00 H new ATOM 894 N GLY A 60 -16.113 -1.431 -9.063 1.00 0.00 N ATOM 895 CA GLY A 60 -16.886 -1.094 -7.880 1.00 0.00 C ATOM 896 C GLY A 60 -16.456 -1.946 -6.684 1.00 0.00 C ATOM 897 O GLY A 60 -17.280 -2.625 -6.072 1.00 0.00 O ATOM 0 H GLY A 60 -15.246 -1.935 -8.877 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.756 -0.038 -7.644 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -17.947 -1.248 -8.078 1.00 0.00 H new ATOM 901 N ARG A 61 -15.167 -1.883 -6.385 1.00 0.00 N ATOM 902 CA ARG A 61 -14.564 -2.832 -5.464 1.00 0.00 C ATOM 903 C ARG A 61 -14.859 -2.427 -4.018 1.00 0.00 C ATOM 904 O ARG A 61 -15.681 -3.052 -3.351 1.00 0.00 O ATOM 905 CB ARG A 61 -13.050 -2.910 -5.666 1.00 0.00 C ATOM 906 CG ARG A 61 -12.708 -3.601 -6.988 1.00 0.00 C ATOM 907 CD ARG A 61 -11.438 -3.009 -7.603 1.00 0.00 C ATOM 908 NE ARG A 61 -11.265 -3.510 -8.985 1.00 0.00 N ATOM 909 CZ ARG A 61 -10.320 -3.073 -9.829 1.00 0.00 C ATOM 910 NH1 ARG A 61 -9.416 -2.174 -9.416 1.00 0.00 N ATOM 911 NH2 ARG A 61 -10.280 -3.534 -11.087 1.00 0.00 N ATOM 0 H ARG A 61 -14.523 -1.189 -6.764 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.996 -3.812 -5.667 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.626 -1.906 -5.656 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.597 -3.456 -4.838 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.571 -4.669 -6.819 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.539 -3.492 -7.685 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.499 -1.921 -7.607 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.572 -3.278 -6.999 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.905 -4.233 -9.316 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.447 -1.822 -8.459 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.697 -1.842 -10.059 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.969 -4.217 -11.402 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.561 -3.201 -11.729 1.00 0.00 H new ATOM 925 N LEU A 62 -14.171 -1.385 -3.577 1.00 0.00 N ATOM 926 CA LEU A 62 -14.467 -0.784 -2.288 1.00 0.00 C ATOM 927 C LEU A 62 -15.541 0.291 -2.465 1.00 0.00 C ATOM 928 O LEU A 62 -15.702 0.839 -3.554 1.00 0.00 O ATOM 929 CB LEU A 62 -13.185 -0.269 -1.630 1.00 0.00 C ATOM 930 CG LEU A 62 -12.060 -1.292 -1.461 1.00 0.00 C ATOM 931 CD1 LEU A 62 -10.713 -0.700 -1.879 1.00 0.00 C ATOM 932 CD2 LEU A 62 -12.026 -1.839 -0.032 1.00 0.00 C ATOM 0 H LEU A 62 -13.409 -0.941 -4.090 1.00 0.00 H new ATOM 0 HA LEU A 62 -14.872 -1.530 -1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -12.806 0.564 -2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -13.439 0.128 -0.647 1.00 0.00 H new ATOM 0 HG LEU A 62 -12.262 -2.134 -2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.931 -1.448 -1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.757 -0.399 -2.926 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.490 0.169 -1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.217 -2.564 0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.861 -1.019 0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -12.976 -2.324 0.195 1.00 0.00 H new ATOM 944 N PRO A 63 -16.269 0.566 -1.349 1.00 0.00 N ATOM 945 CA PRO A 63 -17.376 1.505 -1.391 1.00 0.00 C ATOM 946 C PRO A 63 -16.869 2.947 -1.458 1.00 0.00 C ATOM 947 O PRO A 63 -15.666 3.191 -1.381 1.00 0.00 O ATOM 948 CB PRO A 63 -18.183 1.217 -0.136 1.00 0.00 C ATOM 949 CG PRO A 63 -17.253 0.453 0.792 1.00 0.00 C ATOM 950 CD PRO A 63 -16.057 -0.008 -0.024 1.00 0.00 C ATOM 0 HA PRO A 63 -17.994 1.388 -2.281 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -18.525 2.142 0.329 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -19.071 0.630 -0.369 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.930 1.088 1.617 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -17.768 -0.402 1.230 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -15.121 0.340 0.413 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -16.003 -1.096 -0.068 1.00 0.00 H new ATOM 958 N SER A 64 -17.813 3.866 -1.601 1.00 0.00 N ATOM 959 CA SER A 64 -17.495 5.283 -1.535 1.00 0.00 C ATOM 960 C SER A 64 -16.379 5.615 -2.527 1.00 0.00 C ATOM 961 O SER A 64 -15.226 5.789 -2.134 1.00 0.00 O ATOM 962 CB SER A 64 -17.084 5.689 -0.118 1.00 0.00 C ATOM 963 OG SER A 64 -18.064 5.320 0.849 1.00 0.00 O ATOM 0 H SER A 64 -18.798 3.657 -1.762 1.00 0.00 H new ATOM 0 HA SER A 64 -18.389 5.848 -1.801 1.00 0.00 H new ATOM 0 HB2 SER A 64 -16.133 5.219 0.132 1.00 0.00 H new ATOM 0 HB3 SER A 64 -16.926 6.767 -0.081 1.00 0.00 H new ATOM 0 HG SER A 64 -17.764 5.595 1.740 1.00 0.00 H new ATOM 969 N ALA A 65 -16.760 5.694 -3.793 1.00 0.00 N ATOM 970 CA ALA A 65 -15.805 5.999 -4.845 1.00 0.00 C ATOM 971 C ALA A 65 -16.457 6.937 -5.863 1.00 0.00 C ATOM 972 O ALA A 65 -16.509 6.627 -7.052 1.00 0.00 O ATOM 973 CB ALA A 65 -15.313 4.698 -5.481 1.00 0.00 C ATOM 0 H ALA A 65 -17.718 5.552 -4.115 1.00 0.00 H new ATOM 0 HA ALA A 65 -14.934 6.511 -4.436 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -14.597 4.927 -6.270 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -14.832 4.081 -4.722 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -16.159 4.157 -5.905 1.00 0.00 H new ATOM 979 N SER A 66 -16.937 8.064 -5.359 1.00 0.00 N ATOM 980 CA SER A 66 -17.522 9.078 -6.219 1.00 0.00 C ATOM 981 C SER A 66 -17.122 10.472 -5.731 1.00 0.00 C ATOM 982 O SER A 66 -17.917 11.164 -5.096 1.00 0.00 O ATOM 983 CB SER A 66 -19.046 8.950 -6.265 1.00 0.00 C ATOM 984 OG SER A 66 -19.460 7.697 -6.803 1.00 0.00 O ATOM 0 H SER A 66 -16.933 8.297 -4.366 1.00 0.00 H new ATOM 0 HA SER A 66 -17.141 8.930 -7.230 1.00 0.00 H new ATOM 0 HB2 SER A 66 -19.450 9.064 -5.259 1.00 0.00 H new ATOM 0 HB3 SER A 66 -19.460 9.758 -6.868 1.00 0.00 H new ATOM 0 HG SER A 66 -20.439 7.653 -6.814 1.00 0.00 H new ATOM 990 N GLY A 67 -15.890 10.843 -6.047 1.00 0.00 N ATOM 991 CA GLY A 67 -15.300 12.042 -5.476 1.00 0.00 C ATOM 992 C GLY A 67 -14.316 11.690 -4.358 1.00 0.00 C ATOM 993 O GLY A 67 -13.563 12.547 -3.897 1.00 0.00 O ATOM 0 H GLY A 67 -15.284 10.335 -6.691 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.785 12.605 -6.255 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -16.086 12.687 -5.084 1.00 0.00 H new ATOM 997 N ARG A 68 -14.354 10.429 -3.955 1.00 0.00 N ATOM 998 CA ARG A 68 -13.449 9.944 -2.927 1.00 0.00 C ATOM 999 C ARG A 68 -12.409 9.002 -3.537 1.00 0.00 C ATOM 1000 O ARG A 68 -12.752 8.116 -4.318 1.00 0.00 O ATOM 1001 CB ARG A 68 -14.212 9.206 -1.825 1.00 0.00 C ATOM 1002 CG ARG A 68 -13.287 8.857 -0.657 1.00 0.00 C ATOM 1003 CD ARG A 68 -14.063 8.175 0.471 1.00 0.00 C ATOM 1004 NE ARG A 68 -14.922 9.161 1.164 1.00 0.00 N ATOM 1005 CZ ARG A 68 -15.762 8.856 2.162 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -15.856 7.591 2.596 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -16.508 9.815 2.728 1.00 0.00 N ATOM 0 H ARG A 68 -14.998 9.728 -4.322 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.949 10.809 -2.490 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -15.035 9.826 -1.469 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.652 8.295 -2.230 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -12.489 8.200 -1.004 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -12.812 9.763 -0.281 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -14.675 7.369 0.067 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -13.369 7.724 1.180 1.00 0.00 H new ATOM 0 HE ARG A 68 -14.871 10.134 0.863 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -15.288 6.861 2.166 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -16.496 7.359 3.356 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -16.436 10.778 2.399 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -17.147 9.582 3.488 1.00 0.00 H new ATOM 1021 N THR A 69 -11.160 9.225 -3.157 1.00 0.00 N ATOM 1022 CA THR A 69 -10.049 8.538 -3.794 1.00 0.00 C ATOM 1023 C THR A 69 -9.578 7.369 -2.927 1.00 0.00 C ATOM 1024 O THR A 69 -9.830 7.342 -1.724 1.00 0.00 O ATOM 1025 CB THR A 69 -8.953 9.569 -4.073 1.00 0.00 C ATOM 1026 OG1 THR A 69 -9.668 10.739 -4.462 1.00 0.00 O ATOM 1027 CG2 THR A 69 -8.118 9.216 -5.305 1.00 0.00 C ATOM 0 H THR A 69 -10.892 9.872 -2.415 1.00 0.00 H new ATOM 0 HA THR A 69 -10.349 8.096 -4.744 1.00 0.00 H new ATOM 0 HB THR A 69 -8.301 9.650 -3.203 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.034 11.459 -4.660 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.355 9.979 -5.458 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.639 8.249 -5.155 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.765 9.168 -6.181 1.00 0.00 H new ATOM 1035 N TRP A 70 -8.901 6.431 -3.573 1.00 0.00 N ATOM 1036 CA TRP A 70 -8.314 5.308 -2.862 1.00 0.00 C ATOM 1037 C TRP A 70 -6.841 5.213 -3.262 1.00 0.00 C ATOM 1038 O TRP A 70 -6.482 5.512 -4.400 1.00 0.00 O ATOM 1039 CB TRP A 70 -9.092 4.019 -3.135 1.00 0.00 C ATOM 1040 CG TRP A 70 -10.474 3.975 -2.481 1.00 0.00 C ATOM 1041 CD1 TRP A 70 -11.603 4.564 -2.897 1.00 0.00 C ATOM 1042 CD2 TRP A 70 -10.829 3.277 -1.268 1.00 0.00 C ATOM 1043 NE1 TRP A 70 -12.656 4.299 -2.045 1.00 0.00 N ATOM 1044 CE2 TRP A 70 -12.170 3.491 -1.023 1.00 0.00 C ATOM 1045 CE3 TRP A 70 -10.043 2.492 -0.407 1.00 0.00 C ATOM 1046 CZ2 TRP A 70 -12.843 2.954 0.081 1.00 0.00 C ATOM 1047 CZ3 TRP A 70 -10.730 1.962 0.692 1.00 0.00 C ATOM 1048 CH2 TRP A 70 -12.080 2.168 0.953 1.00 0.00 C ATOM 0 H TRP A 70 -8.746 6.426 -4.581 1.00 0.00 H new ATOM 0 HA TRP A 70 -8.373 5.461 -1.784 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -9.207 3.898 -4.212 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -8.506 3.171 -2.780 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -11.680 5.170 -3.787 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -13.614 4.634 -2.146 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -8.992 2.312 -0.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -13.894 3.136 0.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -10.172 1.350 1.386 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -12.538 1.724 1.824 1.00 0.00 H new ATOM 1059 N ARG A 71 -6.026 4.795 -2.304 1.00 0.00 N ATOM 1060 CA ARG A 71 -4.623 4.535 -2.576 1.00 0.00 C ATOM 1061 C ARG A 71 -4.181 3.239 -1.893 1.00 0.00 C ATOM 1062 O ARG A 71 -4.727 2.862 -0.857 1.00 0.00 O ATOM 1063 CB ARG A 71 -3.744 5.688 -2.085 1.00 0.00 C ATOM 1064 CG ARG A 71 -3.943 6.935 -2.948 1.00 0.00 C ATOM 1065 CD ARG A 71 -2.615 7.656 -3.184 1.00 0.00 C ATOM 1066 NE ARG A 71 -2.839 8.879 -3.987 1.00 0.00 N ATOM 1067 CZ ARG A 71 -1.855 9.644 -4.481 1.00 0.00 C ATOM 1068 NH1 ARG A 71 -0.575 9.316 -4.258 1.00 0.00 N ATOM 1069 NH2 ARG A 71 -2.152 10.736 -5.198 1.00 0.00 N ATOM 0 H ARG A 71 -6.311 4.630 -1.339 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.507 4.439 -3.655 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.985 5.917 -1.047 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.697 5.388 -2.110 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.383 6.653 -3.905 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.646 7.611 -2.461 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.158 7.916 -2.229 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.919 6.994 -3.700 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.802 9.157 -4.176 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.349 8.484 -3.712 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.174 9.898 -4.634 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.126 10.985 -5.368 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.404 11.318 -5.574 1.00 0.00 H new ATOM 1083 N GLU A 72 -3.197 2.593 -2.500 1.00 0.00 N ATOM 1084 CA GLU A 72 -2.726 1.311 -2.005 1.00 0.00 C ATOM 1085 C GLU A 72 -1.298 1.441 -1.470 1.00 0.00 C ATOM 1086 O GLU A 72 -0.642 2.459 -1.682 1.00 0.00 O ATOM 1087 CB GLU A 72 -2.808 0.239 -3.094 1.00 0.00 C ATOM 1088 CG GLU A 72 -1.945 0.616 -4.300 1.00 0.00 C ATOM 1089 CD GLU A 72 -1.411 -0.634 -5.003 1.00 0.00 C ATOM 1090 OE1 GLU A 72 -2.256 -1.424 -5.476 1.00 0.00 O ATOM 1091 OE2 GLU A 72 -0.169 -0.771 -5.052 1.00 0.00 O ATOM 0 H GLU A 72 -2.713 2.934 -3.331 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.374 1.000 -1.185 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.479 -0.719 -2.692 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.844 0.113 -3.409 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.532 1.209 -5.001 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.112 1.239 -3.975 1.00 0.00 H new ATOM 1098 N ALA A 73 -0.859 0.393 -0.788 1.00 0.00 N ATOM 1099 CA ALA A 73 0.514 0.330 -0.316 1.00 0.00 C ATOM 1100 C ALA A 73 0.885 -1.128 -0.033 1.00 0.00 C ATOM 1101 O ALA A 73 0.016 -1.945 0.268 1.00 0.00 O ATOM 1102 CB ALA A 73 0.673 1.222 0.916 1.00 0.00 C ATOM 0 H ALA A 73 -1.429 -0.419 -0.551 1.00 0.00 H new ATOM 0 HA ALA A 73 1.199 0.703 -1.078 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.703 1.174 1.269 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.427 2.251 0.654 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.003 0.877 1.704 1.00 0.00 H new ATOM 1108 N ASP A 74 2.175 -1.408 -0.139 1.00 0.00 N ATOM 1109 CA ASP A 74 2.655 -2.775 -0.030 1.00 0.00 C ATOM 1110 C ASP A 74 2.631 -3.203 1.439 1.00 0.00 C ATOM 1111 O ASP A 74 2.898 -2.397 2.329 1.00 0.00 O ATOM 1112 CB ASP A 74 4.094 -2.896 -0.534 1.00 0.00 C ATOM 1113 CG ASP A 74 4.287 -2.585 -2.020 1.00 0.00 C ATOM 1114 OD1 ASP A 74 3.275 -2.232 -2.662 1.00 0.00 O ATOM 1115 OD2 ASP A 74 5.443 -2.709 -2.480 1.00 0.00 O ATOM 0 H ASP A 74 2.903 -0.712 -0.299 1.00 0.00 H new ATOM 0 HA ASP A 74 2.007 -3.409 -0.635 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.724 -2.223 0.047 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.447 -3.909 -0.341 1.00 0.00 H new ATOM 1120 N ILE A 75 2.309 -4.471 1.648 1.00 0.00 N ATOM 1121 CA ILE A 75 2.370 -5.050 2.979 1.00 0.00 C ATOM 1122 C ILE A 75 3.345 -6.229 2.975 1.00 0.00 C ATOM 1123 O ILE A 75 3.217 -7.142 2.161 1.00 0.00 O ATOM 1124 CB ILE A 75 0.967 -5.414 3.470 1.00 0.00 C ATOM 1125 CG1 ILE A 75 0.082 -4.170 3.574 1.00 0.00 C ATOM 1126 CG2 ILE A 75 1.030 -6.184 4.790 1.00 0.00 C ATOM 1127 CD1 ILE A 75 0.631 -3.192 4.615 1.00 0.00 C ATOM 0 H ILE A 75 2.005 -5.114 0.917 1.00 0.00 H new ATOM 0 HA ILE A 75 2.754 -4.322 3.693 1.00 0.00 H new ATOM 0 HB ILE A 75 0.509 -6.074 2.734 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.024 -3.678 2.603 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.933 -4.463 3.844 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.020 -6.430 5.116 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.599 -7.103 4.649 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.516 -5.569 5.547 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.016 -2.317 4.669 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.665 -3.679 5.590 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.636 -2.883 4.329 1.00 0.00 H new ATOM 1139 N ASN A 76 4.298 -6.170 3.893 1.00 0.00 N ATOM 1140 CA ASN A 76 5.365 -7.157 3.929 1.00 0.00 C ATOM 1141 C ASN A 76 6.290 -6.945 2.729 1.00 0.00 C ATOM 1142 O ASN A 76 7.426 -6.501 2.887 1.00 0.00 O ATOM 1143 CB ASN A 76 4.803 -8.578 3.848 1.00 0.00 C ATOM 1144 CG ASN A 76 3.652 -8.770 4.837 1.00 0.00 C ATOM 1145 OD1 ASN A 76 2.513 -9.160 4.272 1.00 0.00 O flip ATOM 1146 ND2 ASN A 76 3.788 -8.576 6.033 1.00 0.00 N flip ATOM 0 H ASN A 76 4.354 -5.454 4.618 1.00 0.00 H new ATOM 0 HA ASN A 76 5.906 -7.036 4.868 1.00 0.00 H new ATOM 0 HB2 ASN A 76 4.454 -8.777 2.835 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.593 -9.298 4.060 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.691 -8.277 6.402 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.999 -8.713 6.665 1.00 0.00 H new ATOM 1153 N TYR A 77 5.769 -7.272 1.555 1.00 0.00 N ATOM 1154 CA TYR A 77 6.616 -7.489 0.395 1.00 0.00 C ATOM 1155 C TYR A 77 7.849 -8.317 0.764 1.00 0.00 C ATOM 1156 O TYR A 77 8.899 -7.763 1.086 1.00 0.00 O ATOM 1157 CB TYR A 77 7.067 -6.101 -0.064 1.00 0.00 C ATOM 1158 CG TYR A 77 7.467 -6.033 -1.539 1.00 0.00 C ATOM 1159 CD1 TYR A 77 8.740 -6.399 -1.926 1.00 0.00 C ATOM 1160 CD2 TYR A 77 6.555 -5.605 -2.482 1.00 0.00 C ATOM 1161 CE1 TYR A 77 9.117 -6.335 -3.315 1.00 0.00 C ATOM 1162 CE2 TYR A 77 6.932 -5.541 -3.871 1.00 0.00 C ATOM 1163 CZ TYR A 77 8.194 -5.909 -4.218 1.00 0.00 C ATOM 1164 OH TYR A 77 8.550 -5.848 -5.530 1.00 0.00 O ATOM 0 H TYR A 77 4.771 -7.392 1.383 1.00 0.00 H new ATOM 0 HA TYR A 77 6.073 -8.030 -0.381 1.00 0.00 H new ATOM 0 HB2 TYR A 77 6.261 -5.390 0.116 1.00 0.00 H new ATOM 0 HB3 TYR A 77 7.913 -5.785 0.546 1.00 0.00 H new ATOM 0 HD1 TYR A 77 9.454 -6.733 -1.188 1.00 0.00 H new ATOM 0 HD2 TYR A 77 5.559 -5.318 -2.179 1.00 0.00 H new ATOM 0 HE1 TYR A 77 10.110 -6.619 -3.632 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.228 -5.208 -4.620 1.00 0.00 H new ATOM 0 HH TYR A 77 8.695 -6.755 -5.872 1.00 0.00 H new ATOM 1174 N VAL A 78 7.681 -9.630 0.704 1.00 0.00 N ATOM 1175 CA VAL A 78 8.813 -10.535 0.805 1.00 0.00 C ATOM 1176 C VAL A 78 9.094 -11.147 -0.569 1.00 0.00 C ATOM 1177 O VAL A 78 10.251 -11.301 -0.959 1.00 0.00 O ATOM 1178 CB VAL A 78 8.549 -11.585 1.885 1.00 0.00 C ATOM 1179 CG1 VAL A 78 9.686 -12.607 1.946 1.00 0.00 C ATOM 1180 CG2 VAL A 78 8.330 -10.926 3.249 1.00 0.00 C ATOM 0 H VAL A 78 6.778 -10.089 0.587 1.00 0.00 H new ATOM 0 HA VAL A 78 9.709 -9.994 1.110 1.00 0.00 H new ATOM 0 HB VAL A 78 7.635 -12.116 1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.473 -13.342 2.722 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.774 -13.111 0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 78 10.622 -12.097 2.176 1.00 0.00 H new ATOM 0 HG21 VAL A 78 8.144 -11.695 3.999 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.218 -10.357 3.525 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.472 -10.256 3.196 1.00 0.00 H new ATOM 1190 N SER A 79 8.017 -11.481 -1.264 1.00 0.00 N ATOM 1191 CA SER A 79 8.127 -11.947 -2.636 1.00 0.00 C ATOM 1192 C SER A 79 8.865 -10.909 -3.484 1.00 0.00 C ATOM 1193 O SER A 79 8.984 -9.750 -3.088 1.00 0.00 O ATOM 1194 CB SER A 79 6.747 -12.234 -3.232 1.00 0.00 C ATOM 1195 OG SER A 79 5.911 -11.080 -3.225 1.00 0.00 O ATOM 0 H SER A 79 7.064 -11.438 -0.903 1.00 0.00 H new ATOM 0 HA SER A 79 8.695 -12.877 -2.637 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.862 -12.592 -4.255 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.267 -13.033 -2.666 1.00 0.00 H new ATOM 0 HG SER A 79 5.040 -11.304 -3.615 1.00 0.00 H new ATOM 1201 N GLY A 80 9.341 -11.362 -4.634 1.00 0.00 N ATOM 1202 CA GLY A 80 10.133 -10.509 -5.504 1.00 0.00 C ATOM 1203 C GLY A 80 9.267 -9.420 -6.141 1.00 0.00 C ATOM 1204 O GLY A 80 8.822 -8.498 -5.459 1.00 0.00 O ATOM 0 H GLY A 80 9.194 -12.309 -4.984 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.939 -10.049 -4.933 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.598 -11.111 -6.284 1.00 0.00 H new ATOM 1208 N PHE A 81 9.055 -9.562 -7.441 1.00 0.00 N ATOM 1209 CA PHE A 81 8.223 -8.621 -8.171 1.00 0.00 C ATOM 1210 C PHE A 81 6.808 -8.576 -7.590 1.00 0.00 C ATOM 1211 O PHE A 81 6.506 -9.279 -6.627 1.00 0.00 O ATOM 1212 CB PHE A 81 8.152 -9.115 -9.617 1.00 0.00 C ATOM 1213 CG PHE A 81 9.519 -9.390 -10.248 1.00 0.00 C ATOM 1214 CD1 PHE A 81 10.377 -8.363 -10.488 1.00 0.00 C ATOM 1215 CD2 PHE A 81 9.875 -10.663 -10.569 1.00 0.00 C ATOM 1216 CE1 PHE A 81 11.645 -8.619 -11.073 1.00 0.00 C ATOM 1217 CE2 PHE A 81 11.143 -10.919 -11.155 1.00 0.00 C ATOM 1218 CZ PHE A 81 12.001 -9.891 -11.394 1.00 0.00 C ATOM 0 H PHE A 81 9.445 -10.315 -8.008 1.00 0.00 H new ATOM 0 HA PHE A 81 8.647 -7.619 -8.104 1.00 0.00 H new ATOM 0 HB2 PHE A 81 7.558 -10.028 -9.650 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.628 -8.372 -10.219 1.00 0.00 H new ATOM 0 HD1 PHE A 81 10.094 -7.352 -10.234 1.00 0.00 H new ATOM 0 HD2 PHE A 81 9.194 -11.479 -10.378 1.00 0.00 H new ATOM 0 HE1 PHE A 81 12.327 -7.803 -11.263 1.00 0.00 H new ATOM 0 HE2 PHE A 81 11.426 -11.929 -11.411 1.00 0.00 H new ATOM 0 HZ PHE A 81 12.966 -10.085 -11.839 1.00 0.00 H new ATOM 1228 N ARG A 82 5.979 -7.742 -8.201 1.00 0.00 N ATOM 1229 CA ARG A 82 4.964 -7.017 -7.456 1.00 0.00 C ATOM 1230 C ARG A 82 4.082 -7.992 -6.673 1.00 0.00 C ATOM 1231 O ARG A 82 3.694 -9.037 -7.191 1.00 0.00 O ATOM 1232 CB ARG A 82 4.085 -6.183 -8.390 1.00 0.00 C ATOM 1233 CG ARG A 82 4.895 -5.066 -9.052 1.00 0.00 C ATOM 1234 CD ARG A 82 5.286 -3.994 -8.033 1.00 0.00 C ATOM 1235 NE ARG A 82 4.084 -3.520 -7.311 1.00 0.00 N ATOM 1236 CZ ARG A 82 4.076 -3.165 -6.019 1.00 0.00 C ATOM 1237 NH1 ARG A 82 5.232 -2.956 -5.374 1.00 0.00 N ATOM 1238 NH2 ARG A 82 2.912 -3.019 -5.372 1.00 0.00 N ATOM 0 H ARG A 82 5.990 -7.552 -9.203 1.00 0.00 H new ATOM 0 HA ARG A 82 5.476 -6.348 -6.764 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.650 -6.825 -9.156 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.257 -5.752 -7.828 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.793 -5.484 -9.508 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.311 -4.615 -9.854 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.009 -4.400 -7.325 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.769 -3.158 -8.539 1.00 0.00 H new ATOM 0 HE ARG A 82 3.207 -3.460 -7.829 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.118 -3.067 -5.867 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.226 -2.686 -4.390 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.032 -3.178 -5.863 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.906 -2.749 -4.388 1.00 0.00 H new ATOM 1252 N ASN A 83 3.790 -7.614 -5.437 1.00 0.00 N ATOM 1253 CA ASN A 83 3.266 -8.562 -4.469 1.00 0.00 C ATOM 1254 C ASN A 83 1.742 -8.439 -4.414 1.00 0.00 C ATOM 1255 O ASN A 83 1.176 -7.472 -4.921 1.00 0.00 O ATOM 1256 CB ASN A 83 3.814 -8.279 -3.068 1.00 0.00 C ATOM 1257 CG ASN A 83 3.356 -6.908 -2.567 1.00 0.00 C ATOM 1258 OD1 ASN A 83 3.104 -5.991 -3.331 1.00 0.00 O ATOM 1259 ND2 ASN A 83 3.263 -6.820 -1.243 1.00 0.00 N ATOM 0 H ASN A 83 3.906 -6.664 -5.084 1.00 0.00 H new ATOM 0 HA ASN A 83 3.568 -9.562 -4.779 1.00 0.00 H new ATOM 0 HB2 ASN A 83 3.477 -9.053 -2.379 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.903 -8.319 -3.085 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.966 -5.946 -0.810 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.489 -7.627 -0.661 1.00 0.00 H new ATOM 1266 N ALA A 84 1.122 -9.432 -3.793 1.00 0.00 N ATOM 1267 CA ALA A 84 -0.328 -9.491 -3.740 1.00 0.00 C ATOM 1268 C ALA A 84 -0.816 -8.802 -2.464 1.00 0.00 C ATOM 1269 O ALA A 84 -1.873 -8.173 -2.460 1.00 0.00 O ATOM 1270 CB ALA A 84 -0.783 -10.950 -3.826 1.00 0.00 C ATOM 0 H ALA A 84 1.598 -10.202 -3.322 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.765 -8.963 -4.587 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.871 -10.995 -3.786 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -0.436 -11.385 -4.763 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.366 -11.511 -2.990 1.00 0.00 H new ATOM 1276 N ASP A 85 -0.023 -8.944 -1.413 1.00 0.00 N ATOM 1277 CA ASP A 85 -0.438 -8.492 -0.096 1.00 0.00 C ATOM 1278 C ASP A 85 -0.320 -6.968 -0.024 1.00 0.00 C ATOM 1279 O ASP A 85 0.778 -6.422 -0.123 1.00 0.00 O ATOM 1280 CB ASP A 85 0.452 -9.087 0.997 1.00 0.00 C ATOM 1281 CG ASP A 85 0.349 -10.605 1.160 1.00 0.00 C ATOM 1282 OD1 ASP A 85 0.705 -11.306 0.188 1.00 0.00 O ATOM 1283 OD2 ASP A 85 -0.085 -11.030 2.252 1.00 0.00 O ATOM 0 H ASP A 85 0.905 -9.366 -1.446 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.467 -8.814 0.062 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.489 -8.830 0.780 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.198 -8.617 1.947 1.00 0.00 H new ATOM 1288 N ARG A 86 -1.465 -6.325 0.148 1.00 0.00 N ATOM 1289 CA ARG A 86 -1.532 -4.877 0.053 1.00 0.00 C ATOM 1290 C ARG A 86 -2.586 -4.329 1.017 1.00 0.00 C ATOM 1291 O ARG A 86 -3.572 -5.003 1.313 1.00 0.00 O ATOM 1292 CB ARG A 86 -1.874 -4.434 -1.371 1.00 0.00 C ATOM 1293 CG ARG A 86 -0.775 -4.847 -2.353 1.00 0.00 C ATOM 1294 CD ARG A 86 -1.048 -4.284 -3.749 1.00 0.00 C ATOM 1295 NE ARG A 86 -0.213 -4.986 -4.749 1.00 0.00 N ATOM 1296 CZ ARG A 86 -0.253 -4.742 -6.066 1.00 0.00 C ATOM 1297 NH1 ARG A 86 -1.004 -3.737 -6.539 1.00 0.00 N ATOM 1298 NH2 ARG A 86 0.456 -5.503 -6.911 1.00 0.00 N ATOM 0 H ARG A 86 -2.354 -6.780 0.353 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.552 -4.482 0.319 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.823 -4.876 -1.675 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.003 -3.352 -1.398 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.191 -4.490 -1.995 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.715 -5.934 -2.401 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.103 -4.401 -3.997 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.832 -3.216 -3.768 1.00 0.00 H new ATOM 0 HE ARG A 86 0.434 -5.701 -4.415 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.545 -3.158 -5.896 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.034 -3.551 -7.541 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.026 -6.268 -6.552 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.425 -5.317 -7.913 1.00 0.00 H new ATOM 1312 N LEU A 87 -2.343 -3.112 1.480 1.00 0.00 N ATOM 1313 CA LEU A 87 -3.334 -2.400 2.270 1.00 0.00 C ATOM 1314 C LEU A 87 -3.860 -1.209 1.468 1.00 0.00 C ATOM 1315 O LEU A 87 -3.081 -0.455 0.886 1.00 0.00 O ATOM 1316 CB LEU A 87 -2.755 -2.017 3.634 1.00 0.00 C ATOM 1317 CG LEU A 87 -3.707 -1.288 4.585 1.00 0.00 C ATOM 1318 CD1 LEU A 87 -4.415 -2.275 5.515 1.00 0.00 C ATOM 1319 CD2 LEU A 87 -2.974 -0.193 5.363 1.00 0.00 C ATOM 0 H LEU A 87 -1.475 -2.600 1.324 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.188 -3.043 2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.406 -2.925 4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.881 -1.386 3.472 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.477 -0.799 3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.085 -1.731 6.180 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.990 -2.985 4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.674 -2.813 6.107 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.674 0.309 6.031 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.170 -0.639 5.948 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.556 0.532 4.665 1.00 0.00 H new ATOM 1331 N VAL A 88 -5.178 -1.076 1.462 1.00 0.00 N ATOM 1332 CA VAL A 88 -5.825 -0.066 0.642 1.00 0.00 C ATOM 1333 C VAL A 88 -6.699 0.823 1.530 1.00 0.00 C ATOM 1334 O VAL A 88 -7.570 0.328 2.244 1.00 0.00 O ATOM 1335 CB VAL A 88 -6.608 -0.734 -0.490 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -6.948 0.274 -1.590 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -5.837 -1.927 -1.059 1.00 0.00 C ATOM 0 H VAL A 88 -5.816 -1.651 2.012 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.082 0.576 0.170 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.545 -1.107 -0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.504 -0.226 -2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.555 1.078 -1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.027 0.690 -2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.415 -2.384 -1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.878 -1.587 -1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.668 -2.660 -0.271 1.00 0.00 H new ATOM 1347 N TYR A 89 -6.436 2.119 1.456 1.00 0.00 N ATOM 1348 CA TYR A 89 -7.094 3.067 2.339 1.00 0.00 C ATOM 1349 C TYR A 89 -7.679 4.239 1.548 1.00 0.00 C ATOM 1350 O TYR A 89 -7.137 4.627 0.514 1.00 0.00 O ATOM 1351 CB TYR A 89 -6.006 3.594 3.277 1.00 0.00 C ATOM 1352 CG TYR A 89 -4.807 4.212 2.554 1.00 0.00 C ATOM 1353 CD1 TYR A 89 -3.733 3.422 2.199 1.00 0.00 C ATOM 1354 CD2 TYR A 89 -4.800 5.560 2.258 1.00 0.00 C ATOM 1355 CE1 TYR A 89 -2.604 4.004 1.519 1.00 0.00 C ATOM 1356 CE2 TYR A 89 -3.672 6.142 1.578 1.00 0.00 C ATOM 1357 CZ TYR A 89 -2.630 5.335 1.242 1.00 0.00 C ATOM 1358 OH TYR A 89 -1.564 5.884 0.600 1.00 0.00 O ATOM 0 H TYR A 89 -5.776 2.535 0.798 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.913 2.587 2.875 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.443 4.341 3.939 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.656 2.776 3.906 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.739 2.367 2.431 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.641 6.178 2.536 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -1.757 3.397 1.236 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -3.654 7.195 1.340 1.00 0.00 H new ATOM 0 HH TYR A 89 -1.720 6.842 0.467 1.00 0.00 H new ATOM 1368 N SER A 90 -8.778 4.769 2.063 1.00 0.00 N ATOM 1369 CA SER A 90 -9.517 5.798 1.352 1.00 0.00 C ATOM 1370 C SER A 90 -8.996 7.182 1.744 1.00 0.00 C ATOM 1371 O SER A 90 -8.082 7.297 2.560 1.00 0.00 O ATOM 1372 CB SER A 90 -11.017 5.696 1.637 1.00 0.00 C ATOM 1373 OG SER A 90 -11.341 6.127 2.955 1.00 0.00 O ATOM 0 H SER A 90 -9.175 4.505 2.965 1.00 0.00 H new ATOM 0 HA SER A 90 -9.367 5.649 0.283 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.565 6.299 0.913 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.342 4.664 1.503 1.00 0.00 H new ATOM 0 HG SER A 90 -11.980 6.869 2.909 1.00 0.00 H new ATOM 1379 N SER A 91 -9.599 8.198 1.145 1.00 0.00 N ATOM 1380 CA SER A 91 -9.187 9.568 1.398 1.00 0.00 C ATOM 1381 C SER A 91 -9.445 9.931 2.861 1.00 0.00 C ATOM 1382 O SER A 91 -8.585 10.510 3.523 1.00 0.00 O ATOM 1383 CB SER A 91 -9.917 10.544 0.472 1.00 0.00 C ATOM 1384 OG SER A 91 -9.947 10.080 -0.875 1.00 0.00 O ATOM 0 H SER A 91 -10.370 8.100 0.485 1.00 0.00 H new ATOM 0 HA SER A 91 -8.119 9.646 1.194 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.937 10.688 0.829 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.426 11.516 0.510 1.00 0.00 H new ATOM 0 HG SER A 91 -9.499 10.731 -1.455 1.00 0.00 H new ATOM 1390 N ASP A 92 -10.635 9.575 3.325 1.00 0.00 N ATOM 1391 CA ASP A 92 -11.030 9.885 4.688 1.00 0.00 C ATOM 1392 C ASP A 92 -10.703 8.695 5.592 1.00 0.00 C ATOM 1393 O ASP A 92 -11.194 8.612 6.717 1.00 0.00 O ATOM 1394 CB ASP A 92 -12.534 10.149 4.779 1.00 0.00 C ATOM 1395 CG ASP A 92 -13.422 8.930 4.516 1.00 0.00 C ATOM 1396 OD1 ASP A 92 -13.071 8.161 3.596 1.00 0.00 O ATOM 1397 OD2 ASP A 92 -14.430 8.796 5.242 1.00 0.00 O ATOM 0 H ASP A 92 -11.338 9.075 2.781 1.00 0.00 H new ATOM 0 HA ASP A 92 -10.488 10.777 5.002 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.760 10.537 5.772 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -12.794 10.930 4.065 1.00 0.00 H new ATOM 1402 N TRP A 93 -9.876 7.803 5.067 1.00 0.00 N ATOM 1403 CA TRP A 93 -9.146 6.872 5.910 1.00 0.00 C ATOM 1404 C TRP A 93 -10.134 5.822 6.422 1.00 0.00 C ATOM 1405 O TRP A 93 -10.202 5.561 7.622 1.00 0.00 O ATOM 1406 CB TRP A 93 -8.419 7.608 7.038 1.00 0.00 C ATOM 1407 CG TRP A 93 -7.731 8.901 6.595 1.00 0.00 C ATOM 1408 CD1 TRP A 93 -8.058 10.160 6.914 1.00 0.00 C ATOM 1409 CD2 TRP A 93 -6.578 9.009 5.734 1.00 0.00 C ATOM 1410 NE1 TRP A 93 -7.203 11.069 6.324 1.00 0.00 N ATOM 1411 CE2 TRP A 93 -6.275 10.347 5.584 1.00 0.00 C ATOM 1412 CE3 TRP A 93 -5.816 8.010 5.103 1.00 0.00 C ATOM 1413 CZ2 TRP A 93 -5.205 10.808 4.807 1.00 0.00 C ATOM 1414 CZ3 TRP A 93 -4.751 8.487 4.330 1.00 0.00 C ATOM 1415 CH2 TRP A 93 -4.433 9.831 4.169 1.00 0.00 C ATOM 0 H TRP A 93 -9.695 7.705 4.068 1.00 0.00 H new ATOM 0 HA TRP A 93 -8.366 6.367 5.341 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -9.135 7.841 7.826 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -7.673 6.942 7.471 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -8.886 10.430 7.552 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -7.245 12.084 6.415 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -6.035 6.958 5.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -4.987 11.861 4.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -4.133 7.760 3.823 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -3.593 10.120 3.554 1.00 0.00 H new ATOM 1426 N LEU A 94 -10.875 5.248 5.485 1.00 0.00 N ATOM 1427 CA LEU A 94 -11.497 3.954 5.711 1.00 0.00 C ATOM 1428 C LEU A 94 -10.620 2.858 5.103 1.00 0.00 C ATOM 1429 O LEU A 94 -10.327 2.884 3.909 1.00 0.00 O ATOM 1430 CB LEU A 94 -12.935 3.952 5.188 1.00 0.00 C ATOM 1431 CG LEU A 94 -13.973 4.638 6.078 1.00 0.00 C ATOM 1432 CD1 LEU A 94 -15.097 5.249 5.237 1.00 0.00 C ATOM 1433 CD2 LEU A 94 -14.510 3.675 7.138 1.00 0.00 C ATOM 0 H LEU A 94 -11.059 5.655 4.568 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.570 3.748 6.779 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -12.946 4.436 4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.243 2.918 5.035 1.00 0.00 H new ATOM 0 HG LEU A 94 -13.483 5.456 6.606 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -15.822 5.731 5.893 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -14.679 5.988 4.553 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -15.591 4.464 4.665 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -15.246 4.189 7.757 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -14.979 2.821 6.649 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -13.688 3.328 7.764 1.00 0.00 H new ATOM 1445 N ILE A 95 -10.225 1.921 5.953 1.00 0.00 N ATOM 1446 CA ILE A 95 -9.039 1.124 5.690 1.00 0.00 C ATOM 1447 C ILE A 95 -9.442 -0.342 5.522 1.00 0.00 C ATOM 1448 O ILE A 95 -10.224 -0.869 6.312 1.00 0.00 O ATOM 1449 CB ILE A 95 -7.988 1.352 6.778 1.00 0.00 C ATOM 1450 CG1 ILE A 95 -7.693 2.844 6.951 1.00 0.00 C ATOM 1451 CG2 ILE A 95 -6.719 0.547 6.492 1.00 0.00 C ATOM 1452 CD1 ILE A 95 -6.685 3.076 8.079 1.00 0.00 C ATOM 0 H ILE A 95 -10.705 1.696 6.824 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.570 1.435 4.756 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.392 0.991 7.724 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.301 3.251 6.019 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.618 3.378 7.169 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.988 0.727 7.281 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.962 -0.515 6.458 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.301 0.854 5.533 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.493 4.144 8.181 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.090 2.689 9.014 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.753 2.560 7.846 1.00 0.00 H new ATOM 1464 N TYR A 96 -8.890 -0.960 4.488 1.00 0.00 N ATOM 1465 CA TYR A 96 -9.155 -2.364 4.227 1.00 0.00 C ATOM 1466 C TYR A 96 -7.875 -3.098 3.821 1.00 0.00 C ATOM 1467 O TYR A 96 -6.975 -2.502 3.232 1.00 0.00 O ATOM 1468 CB TYR A 96 -10.141 -2.397 3.057 1.00 0.00 C ATOM 1469 CG TYR A 96 -11.558 -1.952 3.424 1.00 0.00 C ATOM 1470 CD1 TYR A 96 -11.864 -0.608 3.485 1.00 0.00 C ATOM 1471 CD2 TYR A 96 -12.529 -2.894 3.694 1.00 0.00 C ATOM 1472 CE1 TYR A 96 -13.198 -0.188 3.830 1.00 0.00 C ATOM 1473 CE2 TYR A 96 -13.863 -2.475 4.040 1.00 0.00 C ATOM 1474 CZ TYR A 96 -14.131 -1.143 4.091 1.00 0.00 C ATOM 1475 OH TYR A 96 -15.391 -0.747 4.417 1.00 0.00 O ATOM 0 H TYR A 96 -8.260 -0.514 3.821 1.00 0.00 H new ATOM 0 HA TYR A 96 -9.548 -2.852 5.119 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -9.765 -1.755 2.260 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -10.181 -3.411 2.658 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -11.103 0.129 3.274 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -12.289 -3.946 3.646 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -13.452 0.861 3.880 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -14.632 -3.202 4.254 1.00 0.00 H new ATOM 0 HH TYR A 96 -15.951 -1.535 4.576 1.00 0.00 H new ATOM 1485 N LYS A 97 -7.835 -4.380 4.152 1.00 0.00 N ATOM 1486 CA LYS A 97 -6.670 -5.194 3.853 1.00 0.00 C ATOM 1487 C LYS A 97 -7.041 -6.239 2.798 1.00 0.00 C ATOM 1488 O LYS A 97 -8.205 -6.615 2.674 1.00 0.00 O ATOM 1489 CB LYS A 97 -6.091 -5.794 5.135 1.00 0.00 C ATOM 1490 CG LYS A 97 -7.121 -6.680 5.839 1.00 0.00 C ATOM 1491 CD LYS A 97 -6.458 -7.542 6.916 1.00 0.00 C ATOM 1492 CE LYS A 97 -6.178 -6.724 8.178 1.00 0.00 C ATOM 1493 NZ LYS A 97 -5.334 -7.494 9.119 1.00 0.00 N ATOM 0 H LYS A 97 -8.591 -4.875 4.625 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.875 -4.580 3.429 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -5.203 -6.380 4.898 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.775 -4.994 5.805 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.893 -6.057 6.291 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.615 -7.321 5.108 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.104 -8.385 7.161 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.525 -7.956 6.532 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -5.679 -5.793 7.911 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -7.118 -6.455 8.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.877 -6.842 9.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.926 -8.170 9.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.605 -8.011 8.588 1.00 0.00 H new ATOM 1507 N THR A 98 -6.029 -6.677 2.064 1.00 0.00 N ATOM 1508 CA THR A 98 -6.204 -7.773 1.125 1.00 0.00 C ATOM 1509 C THR A 98 -4.895 -8.547 0.958 1.00 0.00 C ATOM 1510 O THR A 98 -3.843 -7.953 0.728 1.00 0.00 O ATOM 1511 CB THR A 98 -6.737 -7.191 -0.185 1.00 0.00 C ATOM 1512 OG1 THR A 98 -6.601 -8.258 -1.120 1.00 0.00 O ATOM 1513 CG2 THR A 98 -5.837 -6.088 -0.746 1.00 0.00 C ATOM 0 H THR A 98 -5.085 -6.293 2.100 1.00 0.00 H new ATOM 0 HA THR A 98 -6.929 -8.499 1.494 1.00 0.00 H new ATOM 0 HB THR A 98 -7.739 -6.794 -0.024 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.324 -8.905 -0.985 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.262 -5.710 -1.676 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.764 -5.275 -0.023 1.00 0.00 H new ATOM 0 HG23 THR A 98 -4.843 -6.492 -0.939 1.00 0.00 H new ATOM 1521 N THR A 99 -5.003 -9.862 1.081 1.00 0.00 N ATOM 1522 CA THR A 99 -3.868 -10.733 0.827 1.00 0.00 C ATOM 1523 C THR A 99 -3.905 -11.251 -0.612 1.00 0.00 C ATOM 1524 O THR A 99 -2.909 -11.768 -1.115 1.00 0.00 O ATOM 1525 CB THR A 99 -3.883 -11.847 1.875 1.00 0.00 C ATOM 1526 OG1 THR A 99 -5.245 -12.267 1.916 1.00 0.00 O ATOM 1527 CG2 THR A 99 -3.611 -11.326 3.288 1.00 0.00 C ATOM 0 H THR A 99 -5.859 -10.345 1.353 1.00 0.00 H new ATOM 0 HA THR A 99 -2.926 -10.193 0.920 1.00 0.00 H new ATOM 0 HB THR A 99 -3.138 -12.599 1.616 1.00 0.00 H new ATOM 0 HG1 THR A 99 -5.345 -12.990 2.570 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.633 -12.157 3.993 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.631 -10.851 3.318 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.375 -10.599 3.561 1.00 0.00 H new ATOM 1535 N ASP A 100 -5.065 -11.095 -1.233 1.00 0.00 N ATOM 1536 CA ASP A 100 -5.403 -11.894 -2.398 1.00 0.00 C ATOM 1537 C ASP A 100 -5.528 -10.981 -3.620 1.00 0.00 C ATOM 1538 O ASP A 100 -5.961 -11.418 -4.685 1.00 0.00 O ATOM 1539 CB ASP A 100 -6.741 -12.610 -2.205 1.00 0.00 C ATOM 1540 CG ASP A 100 -7.838 -11.767 -1.552 1.00 0.00 C ATOM 1541 OD1 ASP A 100 -7.833 -10.541 -1.798 1.00 0.00 O ATOM 1542 OD2 ASP A 100 -8.657 -12.367 -0.823 1.00 0.00 O ATOM 0 H ASP A 100 -5.782 -10.427 -0.951 1.00 0.00 H new ATOM 0 HA ASP A 100 -4.615 -12.633 -2.539 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -7.097 -12.952 -3.177 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -6.576 -13.499 -1.596 1.00 0.00 H new ATOM 1547 N HIS A 101 -5.140 -9.729 -3.425 1.00 0.00 N ATOM 1548 CA HIS A 101 -5.048 -8.793 -4.532 1.00 0.00 C ATOM 1549 C HIS A 101 -6.435 -8.587 -5.146 1.00 0.00 C ATOM 1550 O HIS A 101 -6.854 -9.354 -6.012 1.00 0.00 O ATOM 1551 CB HIS A 101 -4.011 -9.260 -5.554 1.00 0.00 C ATOM 1552 CG HIS A 101 -3.788 -8.291 -6.690 1.00 0.00 C ATOM 1553 ND1 HIS A 101 -2.907 -7.227 -6.607 1.00 0.00 N ATOM 1554 CD2 HIS A 101 -4.340 -8.236 -7.937 1.00 0.00 C ATOM 1555 CE1 HIS A 101 -2.936 -6.568 -7.756 1.00 0.00 C ATOM 1556 NE2 HIS A 101 -3.826 -7.195 -8.578 1.00 0.00 N ATOM 0 H HIS A 101 -4.886 -9.341 -2.516 1.00 0.00 H new ATOM 0 HA HIS A 101 -4.702 -7.826 -4.167 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -3.063 -9.429 -5.043 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -4.327 -10.219 -5.965 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -5.072 -8.924 -8.335 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -2.357 -5.689 -7.999 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -4.058 -6.910 -9.529 1.00 0.00 H new ATOM 1564 N TYR A 102 -7.108 -7.549 -4.673 1.00 0.00 N ATOM 1565 CA TYR A 102 -8.224 -6.982 -5.410 1.00 0.00 C ATOM 1566 C TYR A 102 -9.321 -8.026 -5.632 1.00 0.00 C ATOM 1567 O TYR A 102 -10.136 -7.890 -6.543 1.00 0.00 O ATOM 1568 CB TYR A 102 -7.660 -6.556 -6.767 1.00 0.00 C ATOM 1569 CG TYR A 102 -6.884 -5.238 -6.732 1.00 0.00 C ATOM 1570 CD1 TYR A 102 -5.663 -5.173 -6.091 1.00 0.00 C ATOM 1571 CD2 TYR A 102 -7.405 -4.114 -7.340 1.00 0.00 C ATOM 1572 CE1 TYR A 102 -4.933 -3.932 -6.058 1.00 0.00 C ATOM 1573 CE2 TYR A 102 -6.674 -2.873 -7.307 1.00 0.00 C ATOM 1574 CZ TYR A 102 -5.474 -2.844 -6.668 1.00 0.00 C ATOM 1575 OH TYR A 102 -4.784 -1.672 -6.636 1.00 0.00 O ATOM 0 H TYR A 102 -6.902 -7.086 -3.788 1.00 0.00 H new ATOM 0 HA TYR A 102 -8.664 -6.150 -4.860 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -7.004 -7.343 -7.139 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -8.481 -6.463 -7.478 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -5.255 -6.052 -5.615 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -8.361 -4.165 -7.841 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -3.977 -3.867 -5.560 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -7.070 -1.986 -7.779 1.00 0.00 H new ATOM 0 HH TYR A 102 -5.292 -1.007 -6.126 1.00 0.00 H new ATOM 1585 N ALA A 103 -9.305 -9.044 -4.784 1.00 0.00 N ATOM 1586 CA ALA A 103 -10.316 -10.086 -4.848 1.00 0.00 C ATOM 1587 C ALA A 103 -11.369 -9.836 -3.768 1.00 0.00 C ATOM 1588 O ALA A 103 -12.545 -9.645 -4.075 1.00 0.00 O ATOM 1589 CB ALA A 103 -9.647 -11.455 -4.704 1.00 0.00 C ATOM 0 H ALA A 103 -8.609 -9.169 -4.049 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.823 -10.070 -5.813 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.405 -12.237 -4.752 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.929 -11.596 -5.512 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.130 -11.509 -3.746 1.00 0.00 H new ATOM 1595 N THR A 104 -10.910 -9.844 -2.525 1.00 0.00 N ATOM 1596 CA THR A 104 -11.781 -9.536 -1.403 1.00 0.00 C ATOM 1597 C THR A 104 -11.078 -8.593 -0.425 1.00 0.00 C ATOM 1598 O THR A 104 -9.867 -8.394 -0.511 1.00 0.00 O ATOM 1599 CB THR A 104 -12.217 -10.857 -0.766 1.00 0.00 C ATOM 1600 OG1 THR A 104 -11.043 -11.332 -0.115 1.00 0.00 O ATOM 1601 CG2 THR A 104 -12.528 -11.934 -1.807 1.00 0.00 C ATOM 0 H THR A 104 -9.946 -10.059 -2.270 1.00 0.00 H new ATOM 0 HA THR A 104 -12.675 -9.006 -1.731 1.00 0.00 H new ATOM 0 HB THR A 104 -13.097 -10.688 -0.145 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.408 -11.660 -0.785 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.832 -12.851 -1.302 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.335 -11.592 -2.455 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.639 -12.128 -2.407 1.00 0.00 H new ATOM 1609 N PHE A 105 -11.867 -8.037 0.482 1.00 0.00 N ATOM 1610 CA PHE A 105 -11.351 -7.057 1.423 1.00 0.00 C ATOM 1611 C PHE A 105 -11.952 -7.264 2.815 1.00 0.00 C ATOM 1612 O PHE A 105 -13.029 -7.842 2.950 1.00 0.00 O ATOM 1613 CB PHE A 105 -11.763 -5.678 0.903 1.00 0.00 C ATOM 1614 CG PHE A 105 -10.946 -5.197 -0.299 1.00 0.00 C ATOM 1615 CD1 PHE A 105 -9.687 -4.717 -0.117 1.00 0.00 C ATOM 1616 CD2 PHE A 105 -11.480 -5.249 -1.548 1.00 0.00 C ATOM 1617 CE1 PHE A 105 -8.929 -4.271 -1.232 1.00 0.00 C ATOM 1618 CE2 PHE A 105 -10.722 -4.803 -2.663 1.00 0.00 C ATOM 1619 CZ PHE A 105 -9.463 -4.323 -2.481 1.00 0.00 C ATOM 0 H PHE A 105 -12.860 -8.246 0.586 1.00 0.00 H new ATOM 0 HA PHE A 105 -10.269 -7.154 1.506 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -12.817 -5.705 0.626 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -11.665 -4.952 1.710 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -9.263 -4.675 0.876 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -12.480 -5.629 -1.692 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -7.929 -3.891 -1.088 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -11.146 -4.845 -3.656 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.887 -3.983 -3.329 1.00 0.00 H new ATOM 1629 N THR A 106 -11.229 -6.779 3.814 1.00 0.00 N ATOM 1630 CA THR A 106 -11.762 -6.724 5.165 1.00 0.00 C ATOM 1631 C THR A 106 -11.333 -5.428 5.855 1.00 0.00 C ATOM 1632 O THR A 106 -10.161 -5.055 5.810 1.00 0.00 O ATOM 1633 CB THR A 106 -11.309 -7.985 5.904 1.00 0.00 C ATOM 1634 OG1 THR A 106 -11.774 -9.054 5.084 1.00 0.00 O ATOM 1635 CG2 THR A 106 -12.046 -8.185 7.229 1.00 0.00 C ATOM 0 H THR A 106 -10.279 -6.421 3.715 1.00 0.00 H new ATOM 0 HA THR A 106 -12.852 -6.707 5.160 1.00 0.00 H new ATOM 0 HB THR A 106 -10.236 -7.930 6.090 1.00 0.00 H new ATOM 0 HG1 THR A 106 -11.522 -9.910 5.488 1.00 0.00 H new ATOM 0 HG21 THR A 106 -11.686 -9.094 7.712 1.00 0.00 H new ATOM 0 HG22 THR A 106 -11.862 -7.331 7.880 1.00 0.00 H new ATOM 0 HG23 THR A 106 -13.116 -8.273 7.040 1.00 0.00 H new ATOM 1643 N ARG A 107 -12.304 -4.778 6.479 1.00 0.00 N ATOM 1644 CA ARG A 107 -12.055 -3.499 7.123 1.00 0.00 C ATOM 1645 C ARG A 107 -11.227 -3.698 8.394 1.00 0.00 C ATOM 1646 O ARG A 107 -11.463 -4.637 9.153 1.00 0.00 O ATOM 1647 CB ARG A 107 -13.367 -2.799 7.482 1.00 0.00 C ATOM 1648 CG ARG A 107 -13.164 -1.288 7.610 1.00 0.00 C ATOM 1649 CD ARG A 107 -14.452 -0.598 8.064 1.00 0.00 C ATOM 1650 NE ARG A 107 -14.657 -0.810 9.514 1.00 0.00 N ATOM 1651 CZ ARG A 107 -15.630 -0.229 10.229 1.00 0.00 C ATOM 1652 NH1 ARG A 107 -16.531 0.555 9.621 1.00 0.00 N ATOM 1653 NH2 ARG A 107 -15.702 -0.432 11.551 1.00 0.00 N ATOM 0 H ARG A 107 -13.265 -5.113 6.553 1.00 0.00 H new ATOM 0 HA ARG A 107 -11.504 -2.875 6.420 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -14.115 -3.006 6.717 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -13.752 -3.199 8.420 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -12.367 -1.084 8.325 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -12.846 -0.878 6.652 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -14.398 0.469 7.848 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -15.302 -0.993 7.507 1.00 0.00 H new ATOM 0 HE ARG A 107 -14.017 -1.438 10.000 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -16.476 0.709 8.614 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -17.272 0.997 10.165 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -15.016 -1.029 12.013 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -16.443 0.010 12.095 1.00 0.00 H new ATOM 1667 N ILE A 108 -10.273 -2.799 8.587 1.00 0.00 N ATOM 1668 CA ILE A 108 -9.452 -2.825 9.785 1.00 0.00 C ATOM 1669 C ILE A 108 -9.837 -1.651 10.688 1.00 0.00 C ATOM 1670 O ILE A 108 -9.861 -1.784 11.910 1.00 0.00 O ATOM 1671 CB ILE A 108 -7.967 -2.856 9.417 1.00 0.00 C ATOM 1672 CG1 ILE A 108 -7.360 -1.452 9.469 1.00 0.00 C ATOM 1673 CG2 ILE A 108 -7.753 -3.523 8.057 1.00 0.00 C ATOM 1674 CD1 ILE A 108 -7.189 -0.982 10.915 1.00 0.00 C ATOM 0 H ILE A 108 -10.050 -2.048 7.934 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.635 -3.738 10.352 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.444 -3.461 10.158 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -6.393 -1.451 8.966 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -8.001 -0.755 8.929 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -6.689 -3.532 7.820 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.126 -4.547 8.091 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.291 -2.966 7.290 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -6.756 0.018 10.924 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.161 -0.961 11.408 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -6.528 -1.668 11.445 1.00 0.00 H new ATOM 1686 N ARG A 109 -10.129 -0.527 10.050 1.00 0.00 N ATOM 1687 CA ARG A 109 -10.871 0.536 10.707 1.00 0.00 C ATOM 1688 C ARG A 109 -11.739 1.283 9.693 1.00 0.00 C ATOM 1689 O ARG A 109 -12.906 1.565 10.043 1.00 0.00 O ATOM 1690 CB ARG A 109 -9.926 1.527 11.388 1.00 0.00 C ATOM 1691 CG ARG A 109 -10.702 2.707 11.978 1.00 0.00 C ATOM 1692 CD ARG A 109 -9.804 3.558 12.879 1.00 0.00 C ATOM 1693 NE ARG A 109 -10.541 4.755 13.342 1.00 0.00 N ATOM 1694 CZ ARG A 109 -11.415 4.753 14.358 1.00 0.00 C ATOM 1695 NH1 ARG A 109 -11.693 3.610 15.000 1.00 0.00 N ATOM 1696 NH2 ARG A 109 -12.011 5.893 14.731 1.00 0.00 N ATOM 0 H ARG A 109 -9.865 -0.329 9.085 1.00 0.00 H new ATOM 0 HA ARG A 109 -11.506 0.078 11.465 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -9.370 1.021 12.178 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -9.195 1.892 10.667 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -11.103 3.322 11.173 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -11.553 2.338 12.551 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -9.473 2.971 13.735 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -8.909 3.860 12.334 1.00 0.00 H new ATOM 0 HE ARG A 109 -10.373 5.637 12.857 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -11.239 2.742 14.715 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -12.358 3.608 15.773 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -11.800 6.763 14.242 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -12.676 5.891 15.504 1.00 0.00 H new TER 1710 ARG A 109