USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 890 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.00264) USER MOD Set 1.2: A 59 THR OG1 : rot -170:sc= -0.193 USER MOD Set 2.1: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 38 CYS SG : rot -152:sc= 0.648 USER MOD Set 2.3: A 41 CYS SG : rot 180:sc= -1.21 USER MOD Set 3.1: A 9 CYS SG : rot 62:sc= -1.27! USER MOD Set 3.2: A 14 THR OG1 : rot 101:sc= 1.01 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= -0.127 X(o=-0.13,f=-0.58) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0136 X(o=-0.014,f=-0.014) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.16 X(o=-0.16,f=-0.64) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 MET CE :methyl 154:sc= -0.748 (180deg=-2.37) USER MOD Single : A 82 THR OG1 : rot 94:sc= -0.031 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -140:sc=-0.00457 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 79:sc= 0.0957 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS :FLIP no HD1:sc= -0.0686 F(o=-0.6,f=-0.069) USER MOD Single : A 112 THR OG1 : rot 86:sc= 0.435 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.738 11.097 16.018 1.00 0.00 N ATOM 2 CA ALA A 1 -11.789 9.929 15.957 1.00 0.00 C ATOM 3 C ALA A 1 -12.139 9.030 14.745 1.00 0.00 C ATOM 4 O ALA A 1 -13.095 8.283 14.757 1.00 0.00 O ATOM 5 CB ALA A 1 -11.915 9.206 17.331 1.00 0.00 C ATOM 0 H1 ALA A 1 -12.498 11.697 16.833 1.00 0.00 H new ATOM 0 H2 ALA A 1 -12.660 11.654 15.143 1.00 0.00 H new ATOM 0 H3 ALA A 1 -13.712 10.748 16.120 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.752 10.227 15.802 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -11.248 8.344 17.351 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -11.643 9.895 18.131 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.943 8.872 17.474 1.00 0.00 H new ATOM 12 N GLU A 2 -11.196 9.162 13.790 1.00 0.00 N ATOM 13 CA GLU A 2 -11.241 8.503 12.485 1.00 0.00 C ATOM 14 C GLU A 2 -9.824 8.363 11.900 1.00 0.00 C ATOM 15 O GLU A 2 -8.999 9.279 12.052 1.00 0.00 O ATOM 16 CB GLU A 2 -12.116 9.431 11.615 1.00 0.00 C ATOM 17 CG GLU A 2 -12.797 8.602 10.509 1.00 0.00 C ATOM 18 CD GLU A 2 -13.763 9.418 9.608 1.00 0.00 C ATOM 19 OE1 GLU A 2 -13.466 10.281 8.798 1.00 0.00 O ATOM 20 OE2 GLU A 2 -15.093 9.036 9.804 1.00 0.00 O ATOM 0 H GLU A 2 -10.368 9.744 13.915 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.646 7.492 12.539 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -12.868 9.923 12.231 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -11.504 10.216 11.172 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -12.028 8.150 9.883 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -13.351 7.785 10.971 1.00 0.00 H new ATOM 28 N GLU A 3 -9.519 7.220 11.251 1.00 0.00 N ATOM 29 CA GLU A 3 -8.129 6.882 10.801 1.00 0.00 C ATOM 30 C GLU A 3 -8.117 5.779 9.721 1.00 0.00 C ATOM 31 O GLU A 3 -8.994 4.926 9.449 1.00 0.00 O ATOM 32 CB GLU A 3 -7.218 6.589 12.048 1.00 0.00 C ATOM 33 CG GLU A 3 -7.511 5.282 12.834 1.00 0.00 C ATOM 34 CD GLU A 3 -6.365 4.944 13.766 1.00 0.00 C ATOM 35 OE1 GLU A 3 -6.171 5.638 14.757 1.00 0.00 O ATOM 36 OE2 GLU A 3 -5.627 3.836 13.400 1.00 0.00 O ATOM 0 H GLU A 3 -10.210 6.506 11.021 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.695 7.746 10.297 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.181 6.559 11.713 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.306 7.428 12.738 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.430 5.396 13.408 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.671 4.461 12.135 1.00 0.00 H new ATOM 44 N GLY A 4 -6.941 5.766 9.075 1.00 0.00 N ATOM 45 CA GLY A 4 -6.458 4.659 8.219 1.00 0.00 C ATOM 46 C GLY A 4 -6.102 3.459 9.112 1.00 0.00 C ATOM 47 O GLY A 4 -5.603 3.583 10.221 1.00 0.00 O ATOM 0 H GLY A 4 -6.280 6.541 9.131 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.225 4.378 7.498 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.585 4.977 7.649 1.00 0.00 H new ATOM 51 N GLN A 5 -5.972 2.355 8.374 1.00 0.00 N ATOM 52 CA GLN A 5 -6.026 1.011 8.965 1.00 0.00 C ATOM 53 C GLN A 5 -5.013 0.127 8.119 1.00 0.00 C ATOM 54 O GLN A 5 -5.225 -0.101 6.920 1.00 0.00 O ATOM 55 CB GLN A 5 -7.521 0.505 9.044 1.00 0.00 C ATOM 56 CG GLN A 5 -8.147 0.104 7.684 1.00 0.00 C ATOM 57 CD GLN A 5 -9.676 0.286 7.698 1.00 0.00 C ATOM 58 OE1 GLN A 5 -10.433 -0.683 7.812 1.00 0.00 O ATOM 59 NE2 GLN A 5 -10.074 1.517 7.251 1.00 0.00 N ATOM 0 H GLN A 5 -5.828 2.362 7.364 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.706 0.966 10.006 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.564 -0.353 9.714 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.132 1.289 9.491 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.714 0.710 6.889 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.904 -0.935 7.461 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.397 2.277 7.180 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.047 1.674 6.989 1.00 0.00 H new ATOM 68 N VAL A 6 -3.916 -0.277 8.697 1.00 0.00 N ATOM 69 CA VAL A 6 -2.959 -1.317 8.209 1.00 0.00 C ATOM 70 C VAL A 6 -3.440 -2.760 8.605 1.00 0.00 C ATOM 71 O VAL A 6 -3.685 -3.118 9.777 1.00 0.00 O ATOM 72 CB VAL A 6 -1.578 -0.908 8.801 1.00 0.00 C ATOM 73 CG1 VAL A 6 -0.419 -1.948 8.474 1.00 0.00 C ATOM 74 CG2 VAL A 6 -0.978 0.493 8.407 1.00 0.00 C ATOM 0 H VAL A 6 -3.616 0.120 9.587 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.892 -1.363 7.122 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.858 -0.875 9.854 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.516 -1.602 8.916 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.677 -2.923 8.888 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.300 -2.033 7.394 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.015 0.628 8.900 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.842 0.540 7.326 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.660 1.283 8.722 1.00 0.00 H new ATOM 84 N ILE A 7 -3.409 -3.613 7.552 1.00 0.00 N ATOM 85 CA ILE A 7 -3.965 -4.944 7.506 1.00 0.00 C ATOM 86 C ILE A 7 -2.780 -5.795 6.854 1.00 0.00 C ATOM 87 O ILE A 7 -2.335 -5.484 5.747 1.00 0.00 O ATOM 88 CB ILE A 7 -5.332 -5.082 6.840 1.00 0.00 C ATOM 89 CG1 ILE A 7 -6.285 -6.210 7.308 1.00 0.00 C ATOM 90 CG2 ILE A 7 -5.387 -4.908 5.292 1.00 0.00 C ATOM 91 CD1 ILE A 7 -5.807 -7.629 7.053 1.00 0.00 C ATOM 0 H ILE A 7 -2.964 -3.354 6.672 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.247 -5.308 8.494 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.753 -4.177 7.278 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.459 -6.092 8.378 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.246 -6.076 6.812 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -6.414 -5.030 4.948 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.031 -3.913 5.025 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.754 -5.659 4.819 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.551 -8.335 7.420 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.663 -7.778 5.983 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.863 -7.794 7.573 1.00 0.00 H new ATOM 103 N ALA A 8 -2.197 -6.770 7.519 1.00 0.00 N ATOM 104 CA ALA A 8 -1.331 -7.816 6.965 1.00 0.00 C ATOM 105 C ALA A 8 -2.044 -8.767 6.005 1.00 0.00 C ATOM 106 O ALA A 8 -3.184 -9.137 6.254 1.00 0.00 O ATOM 107 CB ALA A 8 -0.754 -8.604 8.190 1.00 0.00 C ATOM 0 H ALA A 8 -2.317 -6.869 8.527 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.551 -7.349 6.363 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -0.099 -9.399 7.835 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -0.188 -7.924 8.826 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.574 -9.038 8.762 1.00 0.00 H new ATOM 113 N CYS A 9 -1.386 -9.123 4.874 1.00 0.00 N ATOM 114 CA CYS A 9 -1.923 -9.684 3.612 1.00 0.00 C ATOM 115 C CYS A 9 -0.943 -10.743 3.089 1.00 0.00 C ATOM 116 O CYS A 9 0.227 -10.706 3.289 1.00 0.00 O ATOM 117 CB CYS A 9 -2.070 -8.567 2.540 1.00 0.00 C ATOM 118 SG CYS A 9 -3.205 -7.239 3.078 1.00 0.00 S ATOM 0 H CYS A 9 -0.373 -9.014 4.818 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.902 -10.123 3.805 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.090 -8.140 2.325 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.438 -9.003 1.611 1.00 0.00 H new ATOM 0 HG CYS A 9 -2.730 -6.668 4.145 1.00 0.00 H new ATOM 124 N HIS A 10 -1.505 -11.824 2.402 1.00 0.00 N ATOM 125 CA HIS A 10 -0.829 -13.179 2.276 1.00 0.00 C ATOM 126 C HIS A 10 -1.165 -13.899 0.895 1.00 0.00 C ATOM 127 O HIS A 10 -0.267 -14.474 0.281 1.00 0.00 O ATOM 128 CB HIS A 10 -1.121 -14.067 3.573 1.00 0.00 C ATOM 129 CG HIS A 10 -0.445 -13.733 4.905 1.00 0.00 C ATOM 130 ND1 HIS A 10 -1.229 -13.208 5.968 1.00 0.00 N ATOM 131 CD2 HIS A 10 0.930 -13.626 5.194 1.00 0.00 C ATOM 132 CE1 HIS A 10 -0.193 -12.853 6.852 1.00 0.00 C ATOM 133 NE2 HIS A 10 1.106 -13.051 6.482 1.00 0.00 N ATOM 0 H HIS A 10 -2.411 -11.776 1.937 1.00 0.00 H new ATOM 0 HA HIS A 10 0.250 -13.030 2.241 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -2.197 -14.046 3.743 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -0.857 -15.095 3.326 1.00 0.00 H new ATOM 0 HD2 HIS A 10 1.729 -13.934 4.536 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -0.424 -12.427 7.817 1.00 0.00 H new ATOM 0 HE2 HIS A 10 1.966 -12.844 6.990 1.00 0.00 H new ATOM 141 N THR A 11 -2.458 -14.020 0.561 1.00 0.00 N ATOM 142 CA THR A 11 -3.068 -15.030 -0.334 1.00 0.00 C ATOM 143 C THR A 11 -4.144 -14.369 -1.302 1.00 0.00 C ATOM 144 O THR A 11 -4.241 -13.157 -1.442 1.00 0.00 O ATOM 145 CB THR A 11 -3.553 -16.215 0.621 1.00 0.00 C ATOM 146 OG1 THR A 11 -4.594 -15.766 1.547 1.00 0.00 O ATOM 147 CG2 THR A 11 -2.510 -16.988 1.491 1.00 0.00 C ATOM 0 H THR A 11 -3.157 -13.375 0.930 1.00 0.00 H new ATOM 0 HA THR A 11 -2.377 -15.463 -1.057 1.00 0.00 H new ATOM 0 HB THR A 11 -3.886 -16.925 -0.137 1.00 0.00 H new ATOM 0 HG1 THR A 11 -4.870 -16.514 2.116 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.020 -17.755 2.074 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.771 -17.457 0.842 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.011 -16.292 2.165 1.00 0.00 H new ATOM 155 N VAL A 12 -4.988 -15.183 -1.982 1.00 0.00 N ATOM 156 CA VAL A 12 -6.275 -14.691 -2.562 1.00 0.00 C ATOM 157 C VAL A 12 -7.313 -13.951 -1.591 1.00 0.00 C ATOM 158 O VAL A 12 -8.210 -13.198 -2.031 1.00 0.00 O ATOM 159 CB VAL A 12 -6.936 -15.892 -3.342 1.00 0.00 C ATOM 160 CG1 VAL A 12 -7.656 -16.869 -2.470 1.00 0.00 C ATOM 161 CG2 VAL A 12 -7.948 -15.359 -4.377 1.00 0.00 C ATOM 0 H VAL A 12 -4.809 -16.174 -2.145 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.004 -13.864 -3.219 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.104 -16.416 -3.813 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.080 -17.662 -3.086 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.957 -17.300 -1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.456 -16.358 -1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.399 -16.196 -4.910 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.727 -14.793 -3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.435 -14.711 -5.087 1.00 0.00 H new ATOM 171 N ASP A 13 -7.240 -14.120 -0.286 1.00 0.00 N ATOM 172 CA ASP A 13 -7.921 -13.253 0.706 1.00 0.00 C ATOM 173 C ASP A 13 -7.636 -11.725 0.673 1.00 0.00 C ATOM 174 O ASP A 13 -8.567 -10.932 0.832 1.00 0.00 O ATOM 175 CB ASP A 13 -7.619 -13.741 2.112 1.00 0.00 C ATOM 176 CG ASP A 13 -8.111 -15.112 2.560 1.00 0.00 C ATOM 177 OD1 ASP A 13 -7.441 -15.984 3.140 1.00 0.00 O ATOM 178 OD2 ASP A 13 -9.465 -15.250 2.244 1.00 0.00 O ATOM 0 H ASP A 13 -6.700 -14.872 0.142 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.967 -13.349 0.413 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.536 -13.728 2.235 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.027 -13.006 2.806 1.00 0.00 H new ATOM 184 N THR A 14 -6.399 -11.297 0.434 1.00 0.00 N ATOM 185 CA THR A 14 -6.060 -9.927 -0.075 1.00 0.00 C ATOM 186 C THR A 14 -6.640 -9.478 -1.473 1.00 0.00 C ATOM 187 O THR A 14 -6.869 -8.253 -1.580 1.00 0.00 O ATOM 188 CB THR A 14 -4.552 -9.552 0.181 1.00 0.00 C ATOM 189 OG1 THR A 14 -4.488 -8.226 0.483 1.00 0.00 O ATOM 190 CG2 THR A 14 -3.624 -9.808 -1.027 1.00 0.00 C ATOM 0 H THR A 14 -5.578 -11.883 0.583 1.00 0.00 H new ATOM 0 HA THR A 14 -6.664 -9.280 0.561 1.00 0.00 H new ATOM 0 HB THR A 14 -4.204 -10.192 0.992 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.400 -8.115 1.453 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.604 -9.524 -0.769 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.651 -10.866 -1.289 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.961 -9.215 -1.877 1.00 0.00 H new ATOM 198 N TRP A 15 -6.666 -10.418 -2.445 1.00 0.00 N ATOM 199 CA TRP A 15 -7.362 -10.182 -3.735 1.00 0.00 C ATOM 200 C TRP A 15 -8.851 -9.670 -3.640 1.00 0.00 C ATOM 201 O TRP A 15 -9.119 -8.627 -4.256 1.00 0.00 O ATOM 202 CB TRP A 15 -7.286 -11.441 -4.646 1.00 0.00 C ATOM 203 CG TRP A 15 -6.136 -11.526 -5.711 1.00 0.00 C ATOM 204 CD1 TRP A 15 -4.834 -12.050 -5.546 1.00 0.00 C ATOM 205 CD2 TRP A 15 -6.225 -11.158 -6.997 1.00 0.00 C ATOM 206 NE1 TRP A 15 -4.055 -11.905 -6.661 1.00 0.00 N ATOM 207 CE2 TRP A 15 -4.980 -11.348 -7.584 1.00 0.00 C ATOM 208 CE3 TRP A 15 -7.284 -10.569 -7.706 1.00 0.00 C ATOM 209 CZ2 TRP A 15 -4.821 -11.036 -8.948 1.00 0.00 C ATOM 210 CZ3 TRP A 15 -7.161 -10.268 -9.054 1.00 0.00 C ATOM 211 CH2 TRP A 15 -5.922 -10.490 -9.663 1.00 0.00 C ATOM 0 H TRP A 15 -6.222 -11.333 -2.366 1.00 0.00 H new ATOM 0 HA TRP A 15 -6.812 -9.352 -4.178 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.204 -12.314 -3.999 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -8.235 -11.525 -5.175 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.490 -12.516 -4.635 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -3.070 -12.136 -6.794 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -8.208 -10.347 -7.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -3.877 -11.209 -9.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -7.995 -9.875 -9.616 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -5.798 -10.240 -10.706 1.00 0.00 H new ATOM 222 N LYS A 16 -9.560 -10.268 -2.710 1.00 0.00 N ATOM 223 CA LYS A 16 -10.822 -9.675 -2.157 1.00 0.00 C ATOM 224 C LYS A 16 -10.828 -8.319 -1.342 1.00 0.00 C ATOM 225 O LYS A 16 -11.764 -7.510 -1.496 1.00 0.00 O ATOM 226 CB LYS A 16 -11.529 -10.772 -1.297 1.00 0.00 C ATOM 227 CG LYS A 16 -12.367 -11.797 -2.100 1.00 0.00 C ATOM 228 CD LYS A 16 -13.102 -12.916 -1.345 1.00 0.00 C ATOM 229 CE LYS A 16 -12.284 -13.923 -0.570 1.00 0.00 C ATOM 230 NZ LYS A 16 -12.968 -15.140 -0.113 1.00 0.00 N ATOM 0 H LYS A 16 -9.309 -11.168 -2.300 1.00 0.00 H new ATOM 0 HA LYS A 16 -11.327 -9.360 -3.070 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.771 -11.311 -0.729 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.180 -10.281 -0.574 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -13.112 -11.240 -2.668 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.703 -12.270 -2.823 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.795 -12.445 -0.648 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.703 -13.465 -2.070 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.441 -14.224 -1.193 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.871 -13.420 0.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.296 -15.743 0.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.755 -14.881 0.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.338 -15.659 -0.934 1.00 0.00 H new ATOM 243 N GLU A 17 -9.809 -8.149 -0.459 1.00 0.00 N ATOM 244 CA GLU A 17 -9.526 -6.853 0.221 1.00 0.00 C ATOM 245 C GLU A 17 -9.233 -5.599 -0.717 1.00 0.00 C ATOM 246 O GLU A 17 -9.898 -4.552 -0.702 1.00 0.00 O ATOM 247 CB GLU A 17 -8.417 -7.006 1.325 1.00 0.00 C ATOM 248 CG GLU A 17 -8.777 -7.902 2.544 1.00 0.00 C ATOM 249 CD GLU A 17 -7.619 -8.282 3.464 1.00 0.00 C ATOM 250 OE1 GLU A 17 -7.020 -9.326 3.502 1.00 0.00 O ATOM 251 OE2 GLU A 17 -7.227 -7.232 4.262 1.00 0.00 O ATOM 0 H GLU A 17 -9.166 -8.897 -0.199 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.480 -6.608 0.688 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.521 -7.411 0.856 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.162 -6.013 1.694 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.532 -7.386 3.138 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.235 -8.819 2.173 1.00 0.00 H new ATOM 259 N HIS A 18 -8.206 -5.742 -1.533 1.00 0.00 N ATOM 260 CA HIS A 18 -7.588 -4.827 -2.496 1.00 0.00 C ATOM 261 C HIS A 18 -8.517 -4.284 -3.617 1.00 0.00 C ATOM 262 O HIS A 18 -8.720 -3.112 -3.781 1.00 0.00 O ATOM 263 CB HIS A 18 -6.243 -5.457 -3.043 1.00 0.00 C ATOM 264 CG HIS A 18 -5.437 -4.690 -4.134 1.00 0.00 C ATOM 265 ND1 HIS A 18 -5.721 -4.705 -5.478 1.00 0.00 N ATOM 266 CD2 HIS A 18 -4.176 -4.089 -3.915 1.00 0.00 C ATOM 267 CE1 HIS A 18 -4.588 -4.128 -5.996 1.00 0.00 C ATOM 268 NE2 HIS A 18 -3.603 -3.663 -5.136 1.00 0.00 N ATOM 0 H HIS A 18 -7.708 -6.632 -1.541 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.358 -3.917 -1.942 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.581 -5.609 -2.191 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.480 -6.443 -3.442 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -6.550 -5.051 -5.961 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.713 -3.971 -2.946 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.464 -4.037 -7.065 1.00 0.00 H new ATOM 276 N PHE A 19 -9.044 -5.231 -4.374 1.00 0.00 N ATOM 277 CA PHE A 19 -10.107 -4.945 -5.425 1.00 0.00 C ATOM 278 C PHE A 19 -11.453 -4.261 -5.021 1.00 0.00 C ATOM 279 O PHE A 19 -11.711 -3.204 -5.535 1.00 0.00 O ATOM 280 CB PHE A 19 -10.222 -6.152 -6.406 1.00 0.00 C ATOM 281 CG PHE A 19 -11.207 -6.034 -7.575 1.00 0.00 C ATOM 282 CD1 PHE A 19 -10.931 -5.316 -8.770 1.00 0.00 C ATOM 283 CD2 PHE A 19 -12.362 -6.837 -7.512 1.00 0.00 C ATOM 284 CE1 PHE A 19 -11.837 -5.342 -9.828 1.00 0.00 C ATOM 285 CE2 PHE A 19 -13.250 -6.960 -8.614 1.00 0.00 C ATOM 286 CZ PHE A 19 -12.952 -6.201 -9.746 1.00 0.00 C ATOM 0 H PHE A 19 -8.779 -6.214 -4.310 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.715 -4.077 -5.955 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.232 -6.342 -6.821 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.498 -7.031 -5.824 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -10.016 -4.749 -8.858 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.579 -7.374 -6.601 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.688 -4.716 -10.695 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -14.113 -7.609 -8.577 1.00 0.00 H new ATOM 0 HZ PHE A 19 -13.607 -6.275 -10.601 1.00 0.00 H new ATOM 296 N GLU A 20 -12.168 -4.877 -4.050 1.00 0.00 N ATOM 297 CA GLU A 20 -13.404 -4.345 -3.356 1.00 0.00 C ATOM 298 C GLU A 20 -13.199 -2.950 -2.656 1.00 0.00 C ATOM 299 O GLU A 20 -14.054 -2.068 -2.888 1.00 0.00 O ATOM 300 CB GLU A 20 -14.006 -5.322 -2.334 1.00 0.00 C ATOM 301 CG GLU A 20 -14.461 -6.671 -2.878 1.00 0.00 C ATOM 302 CD GLU A 20 -15.706 -6.651 -3.778 1.00 0.00 C ATOM 303 OE1 GLU A 20 -15.760 -6.918 -4.986 1.00 0.00 O ATOM 304 OE2 GLU A 20 -16.797 -6.342 -2.975 1.00 0.00 O ATOM 0 H GLU A 20 -11.903 -5.798 -3.701 1.00 0.00 H new ATOM 0 HA GLU A 20 -14.106 -4.217 -4.180 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.266 -5.500 -1.553 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.860 -4.838 -1.860 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.637 -7.109 -3.441 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.658 -7.333 -2.034 1.00 0.00 H new ATOM 312 N LYS A 21 -12.228 -2.715 -1.775 1.00 0.00 N ATOM 313 CA LYS A 21 -11.852 -1.327 -1.314 1.00 0.00 C ATOM 314 C LYS A 21 -11.524 -0.379 -2.490 1.00 0.00 C ATOM 315 O LYS A 21 -12.265 0.623 -2.731 1.00 0.00 O ATOM 316 CB LYS A 21 -10.843 -1.299 -0.174 1.00 0.00 C ATOM 317 CG LYS A 21 -11.100 -2.160 1.051 1.00 0.00 C ATOM 318 CD LYS A 21 -12.223 -1.559 1.917 1.00 0.00 C ATOM 319 CE LYS A 21 -12.562 -2.353 3.231 1.00 0.00 C ATOM 320 NZ LYS A 21 -11.352 -2.777 4.013 1.00 0.00 N ATOM 0 H LYS A 21 -11.669 -3.454 -1.349 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.752 -0.914 -0.858 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.875 -1.587 -0.583 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.752 -0.266 0.162 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.374 -3.168 0.741 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.187 -2.245 1.640 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.943 -0.542 2.190 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.127 -1.489 1.312 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.194 -1.733 3.866 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.143 -3.238 2.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.652 -3.294 4.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.757 -3.395 3.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.807 -1.936 4.293 1.00 0.00 H new ATOM 333 N GLY A 22 -10.454 -0.686 -3.312 1.00 0.00 N ATOM 334 CA GLY A 22 -10.002 0.004 -4.503 1.00 0.00 C ATOM 335 C GLY A 22 -11.194 0.556 -5.394 1.00 0.00 C ATOM 336 O GLY A 22 -11.732 1.610 -5.078 1.00 0.00 O ATOM 0 H GLY A 22 -9.864 -1.493 -3.109 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.359 0.835 -4.212 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.394 -0.675 -5.101 1.00 0.00 H new ATOM 340 N LYS A 23 -11.556 -0.214 -6.382 1.00 0.00 N ATOM 341 CA LYS A 23 -12.825 -0.093 -7.074 1.00 0.00 C ATOM 342 C LYS A 23 -13.957 -0.661 -6.169 1.00 0.00 C ATOM 343 O LYS A 23 -14.247 -1.859 -6.114 1.00 0.00 O ATOM 344 CB LYS A 23 -12.843 -0.806 -8.456 1.00 0.00 C ATOM 345 CG LYS A 23 -14.069 -0.400 -9.340 1.00 0.00 C ATOM 346 CD LYS A 23 -14.745 -1.556 -10.099 1.00 0.00 C ATOM 347 CE LYS A 23 -14.000 -2.263 -11.251 1.00 0.00 C ATOM 348 NZ LYS A 23 -13.633 -1.323 -12.340 1.00 0.00 N ATOM 0 H LYS A 23 -10.967 -0.965 -6.743 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.984 0.967 -7.273 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.923 -0.571 -8.991 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.855 -1.885 -8.301 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.813 0.078 -8.703 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.742 0.346 -10.064 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -15.004 -2.318 -9.364 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.681 -1.173 -10.505 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.098 -2.736 -10.862 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.628 -3.057 -11.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.135 -1.841 -13.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.494 -0.890 -12.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.012 -0.579 -11.962 1.00 0.00 H new ATOM 361 N GLY A 24 -14.668 0.223 -5.490 1.00 0.00 N ATOM 362 CA GLY A 24 -15.982 -0.047 -4.968 1.00 0.00 C ATOM 363 C GLY A 24 -16.469 0.853 -3.759 1.00 0.00 C ATOM 364 O GLY A 24 -17.623 0.923 -3.320 1.00 0.00 O ATOM 0 H GLY A 24 -14.335 1.165 -5.286 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -16.699 0.060 -5.782 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.014 -1.089 -4.650 1.00 0.00 H new ATOM 368 N SER A 25 -15.439 1.348 -3.011 1.00 0.00 N ATOM 369 CA SER A 25 -15.423 2.211 -1.829 1.00 0.00 C ATOM 370 C SER A 25 -14.545 3.468 -2.173 1.00 0.00 C ATOM 371 O SER A 25 -13.366 3.427 -2.566 1.00 0.00 O ATOM 372 CB SER A 25 -14.828 1.431 -0.579 1.00 0.00 C ATOM 373 OG SER A 25 -15.522 0.223 -0.258 1.00 0.00 O ATOM 0 H SER A 25 -14.483 1.108 -3.273 1.00 0.00 H new ATOM 0 HA SER A 25 -16.435 2.519 -1.566 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.782 1.195 -0.776 1.00 0.00 H new ATOM 0 HB3 SER A 25 -14.848 2.090 0.289 1.00 0.00 H new ATOM 0 HG SER A 25 -15.099 -0.201 0.518 1.00 0.00 H new ATOM 379 N GLN A 26 -15.308 4.613 -2.097 1.00 0.00 N ATOM 380 CA GLN A 26 -14.847 6.071 -2.271 1.00 0.00 C ATOM 381 C GLN A 26 -13.724 6.517 -1.235 1.00 0.00 C ATOM 382 O GLN A 26 -13.878 7.400 -0.404 1.00 0.00 O ATOM 383 CB GLN A 26 -15.969 7.073 -2.399 1.00 0.00 C ATOM 384 CG GLN A 26 -16.891 6.956 -3.644 1.00 0.00 C ATOM 385 CD GLN A 26 -17.738 5.699 -3.903 1.00 0.00 C ATOM 386 OE1 GLN A 26 -18.870 5.579 -3.413 1.00 0.00 O ATOM 387 NE2 GLN A 26 -17.282 4.726 -4.674 1.00 0.00 N ATOM 0 H GLN A 26 -16.308 4.560 -1.905 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.362 6.076 -3.247 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -16.593 6.996 -1.509 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -15.532 8.071 -2.396 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -17.580 7.800 -3.608 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -16.259 7.098 -4.521 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -16.354 4.798 -5.091 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -17.859 3.904 -4.852 1.00 0.00 H new ATOM 396 N LYS A 27 -12.577 5.966 -1.444 1.00 0.00 N ATOM 397 CA LYS A 27 -11.398 6.151 -0.610 1.00 0.00 C ATOM 398 C LYS A 27 -10.178 5.781 -1.537 1.00 0.00 C ATOM 399 O LYS A 27 -10.252 5.098 -2.602 1.00 0.00 O ATOM 400 CB LYS A 27 -11.449 5.350 0.734 1.00 0.00 C ATOM 401 CG LYS A 27 -11.227 3.836 0.686 1.00 0.00 C ATOM 402 CD LYS A 27 -11.147 3.185 2.030 1.00 0.00 C ATOM 403 CE LYS A 27 -12.328 3.234 3.013 1.00 0.00 C ATOM 404 NZ LYS A 27 -12.404 2.025 3.958 1.00 0.00 N ATOM 0 H LYS A 27 -12.409 5.342 -2.233 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.318 7.178 -0.254 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.700 5.775 1.403 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.422 5.529 1.191 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.039 3.379 0.121 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.305 3.632 0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.918 2.133 1.860 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.289 3.619 2.543 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.254 4.144 3.609 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.257 3.298 2.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.398 1.831 4.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.991 1.193 3.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.875 2.231 4.829 1.00 0.00 H new ATOM 417 N LEU A 28 -9.006 6.336 -1.185 1.00 0.00 N ATOM 418 CA LEU A 28 -7.642 5.814 -1.493 1.00 0.00 C ATOM 419 C LEU A 28 -7.343 4.541 -0.656 1.00 0.00 C ATOM 420 O LEU A 28 -7.825 4.362 0.425 1.00 0.00 O ATOM 421 CB LEU A 28 -6.671 6.953 -1.204 1.00 0.00 C ATOM 422 CG LEU A 28 -5.144 6.868 -1.650 1.00 0.00 C ATOM 423 CD1 LEU A 28 -4.971 6.716 -3.178 1.00 0.00 C ATOM 424 CD2 LEU A 28 -4.526 8.180 -1.192 1.00 0.00 C ATOM 0 H LEU A 28 -8.970 7.204 -0.651 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.548 5.506 -2.534 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.087 7.850 -1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.679 7.113 -0.126 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.671 5.989 -1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.910 6.663 -3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.465 5.803 -3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.416 7.574 -3.682 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.470 8.199 -1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.040 9.012 -1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.624 8.270 -0.110 1.00 0.00 H new ATOM 436 N ILE A 29 -6.490 3.691 -1.287 1.00 0.00 N ATOM 437 CA ILE A 29 -5.985 2.371 -0.808 1.00 0.00 C ATOM 438 C ILE A 29 -4.514 2.408 -1.314 1.00 0.00 C ATOM 439 O ILE A 29 -4.168 2.668 -2.503 1.00 0.00 O ATOM 440 CB ILE A 29 -6.792 1.091 -1.138 1.00 0.00 C ATOM 441 CG1 ILE A 29 -6.522 0.417 -2.498 1.00 0.00 C ATOM 442 CG2 ILE A 29 -8.330 1.297 -1.027 1.00 0.00 C ATOM 443 CD1 ILE A 29 -6.784 -1.078 -2.563 1.00 0.00 C ATOM 0 H ILE A 29 -6.110 3.923 -2.205 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.093 2.268 0.272 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.415 0.418 -0.367 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.137 0.907 -3.253 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.482 0.596 -2.770 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.840 0.365 -1.270 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.585 1.596 -0.010 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.644 2.075 -1.723 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.560 -1.443 -3.565 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.149 -1.590 -1.840 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.831 -1.274 -2.330 1.00 0.00 H new ATOM 455 N VAL A 30 -3.597 2.079 -0.481 1.00 0.00 N ATOM 456 CA VAL A 30 -2.076 2.281 -0.610 1.00 0.00 C ATOM 457 C VAL A 30 -1.499 0.937 -0.074 1.00 0.00 C ATOM 458 O VAL A 30 -1.846 0.439 0.985 1.00 0.00 O ATOM 459 CB VAL A 30 -1.406 3.515 0.109 1.00 0.00 C ATOM 460 CG1 VAL A 30 0.054 3.674 -0.319 1.00 0.00 C ATOM 461 CG2 VAL A 30 -2.108 4.808 -0.179 1.00 0.00 C ATOM 0 H VAL A 30 -3.836 1.622 0.399 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.850 2.529 -1.647 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.477 3.303 1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.491 4.532 0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.610 2.774 -0.057 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.102 3.830 -1.397 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.602 5.621 0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.092 5.000 -1.252 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.141 4.745 0.163 1.00 0.00 H new ATOM 471 N VAL A 31 -0.601 0.332 -0.841 1.00 0.00 N ATOM 472 CA VAL A 31 -0.219 -1.088 -0.795 1.00 0.00 C ATOM 473 C VAL A 31 1.366 -1.242 -1.013 1.00 0.00 C ATOM 474 O VAL A 31 1.967 -1.036 -2.084 1.00 0.00 O ATOM 475 CB VAL A 31 -1.165 -2.029 -1.616 1.00 0.00 C ATOM 476 CG1 VAL A 31 -1.418 -1.558 -3.013 1.00 0.00 C ATOM 477 CG2 VAL A 31 -1.025 -3.520 -1.381 1.00 0.00 C ATOM 0 H VAL A 31 -0.085 0.843 -1.557 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.397 -1.478 0.207 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.140 -1.903 -1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.081 -2.260 -3.519 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.884 -0.573 -2.986 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.473 -1.497 -3.553 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.736 -4.056 -2.010 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.011 -3.834 -1.630 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.227 -3.744 -0.333 1.00 0.00 H new ATOM 487 N ASP A 32 1.953 -1.650 0.074 1.00 0.00 N ATOM 488 CA ASP A 32 3.350 -2.163 0.254 1.00 0.00 C ATOM 489 C ASP A 32 3.489 -3.617 -0.255 1.00 0.00 C ATOM 490 O ASP A 32 2.872 -4.505 0.367 1.00 0.00 O ATOM 491 CB ASP A 32 3.760 -2.005 1.749 1.00 0.00 C ATOM 492 CG ASP A 32 5.240 -1.821 2.088 1.00 0.00 C ATOM 493 OD1 ASP A 32 5.603 -1.461 3.217 1.00 0.00 O ATOM 494 OD2 ASP A 32 6.061 -2.019 1.048 1.00 0.00 O ATOM 0 H ASP A 32 1.449 -1.646 0.961 1.00 0.00 H new ATOM 0 HA ASP A 32 4.038 -1.573 -0.352 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.220 -1.148 2.151 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.405 -2.886 2.284 1.00 0.00 H new ATOM 500 N PHE A 33 4.167 -3.787 -1.369 1.00 0.00 N ATOM 501 CA PHE A 33 4.860 -5.055 -1.803 1.00 0.00 C ATOM 502 C PHE A 33 6.285 -5.073 -1.216 1.00 0.00 C ATOM 503 O PHE A 33 7.112 -4.275 -1.496 1.00 0.00 O ATOM 504 CB PHE A 33 4.852 -5.193 -3.302 1.00 0.00 C ATOM 505 CG PHE A 33 3.432 -5.414 -3.821 1.00 0.00 C ATOM 506 CD1 PHE A 33 2.672 -6.542 -3.511 1.00 0.00 C ATOM 507 CD2 PHE A 33 2.722 -4.281 -4.368 1.00 0.00 C ATOM 508 CE1 PHE A 33 1.401 -6.682 -3.954 1.00 0.00 C ATOM 509 CE2 PHE A 33 1.396 -4.389 -4.707 1.00 0.00 C ATOM 510 CZ PHE A 33 0.713 -5.574 -4.440 1.00 0.00 C ATOM 0 H PHE A 33 4.276 -3.035 -2.049 1.00 0.00 H new ATOM 0 HA PHE A 33 4.320 -5.920 -1.419 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.274 -4.297 -3.756 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.486 -6.029 -3.598 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.108 -7.321 -2.904 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.238 -3.343 -4.511 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.922 -7.650 -3.931 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.886 -3.561 -5.177 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.352 -5.633 -4.610 1.00 0.00 H new ATOM 520 N THR A 34 6.434 -6.051 -0.327 1.00 0.00 N ATOM 521 CA THR A 34 7.665 -6.238 0.463 1.00 0.00 C ATOM 522 C THR A 34 7.680 -7.761 0.802 1.00 0.00 C ATOM 523 O THR A 34 6.665 -8.477 0.831 1.00 0.00 O ATOM 524 CB THR A 34 7.507 -5.387 1.788 1.00 0.00 C ATOM 525 OG1 THR A 34 8.761 -5.345 2.393 1.00 0.00 O ATOM 526 CG2 THR A 34 6.370 -5.762 2.813 1.00 0.00 C ATOM 0 H THR A 34 5.709 -6.741 -0.128 1.00 0.00 H new ATOM 0 HA THR A 34 8.577 -5.931 -0.049 1.00 0.00 H new ATOM 0 HB THR A 34 7.143 -4.412 1.464 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.708 -4.823 3.221 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.405 -5.079 3.661 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.399 -5.684 2.324 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.519 -6.783 3.164 1.00 0.00 H new ATOM 534 N ALA A 35 8.827 -8.208 1.025 1.00 0.00 N ATOM 535 CA ALA A 35 9.253 -9.564 1.498 1.00 0.00 C ATOM 536 C ALA A 35 9.498 -9.505 3.014 1.00 0.00 C ATOM 537 O ALA A 35 9.972 -8.496 3.545 1.00 0.00 O ATOM 538 CB ALA A 35 10.487 -9.972 0.711 1.00 0.00 C ATOM 0 H ALA A 35 9.640 -7.608 0.882 1.00 0.00 H new ATOM 0 HA ALA A 35 8.485 -10.318 1.327 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.817 -10.958 1.038 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.247 -10.003 -0.352 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.283 -9.248 0.882 1.00 0.00 H new ATOM 544 N SER A 36 9.215 -10.597 3.725 1.00 0.00 N ATOM 545 CA SER A 36 9.597 -10.764 5.242 1.00 0.00 C ATOM 546 C SER A 36 11.023 -10.271 5.644 1.00 0.00 C ATOM 547 O SER A 36 11.213 -9.679 6.675 1.00 0.00 O ATOM 548 CB SER A 36 9.327 -12.172 5.784 1.00 0.00 C ATOM 549 OG SER A 36 9.030 -12.201 7.166 1.00 0.00 O ATOM 0 H SER A 36 8.729 -11.405 3.335 1.00 0.00 H new ATOM 0 HA SER A 36 8.910 -10.074 5.733 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.495 -12.611 5.233 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.199 -12.798 5.595 1.00 0.00 H new ATOM 0 HG SER A 36 8.867 -13.126 7.446 1.00 0.00 H new ATOM 555 N TRP A 37 11.989 -10.672 4.818 1.00 0.00 N ATOM 556 CA TRP A 37 13.348 -10.167 4.763 1.00 0.00 C ATOM 557 C TRP A 37 13.444 -8.748 4.160 1.00 0.00 C ATOM 558 O TRP A 37 13.581 -8.593 2.954 1.00 0.00 O ATOM 559 CB TRP A 37 14.265 -11.184 3.910 1.00 0.00 C ATOM 560 CG TRP A 37 13.842 -11.523 2.432 1.00 0.00 C ATOM 561 CD1 TRP A 37 12.829 -12.385 2.088 1.00 0.00 C ATOM 562 CD2 TRP A 37 14.389 -11.080 1.191 1.00 0.00 C ATOM 563 NE1 TRP A 37 12.681 -12.514 0.707 1.00 0.00 N ATOM 564 CE2 TRP A 37 13.675 -11.683 0.160 1.00 0.00 C ATOM 565 CE3 TRP A 37 15.494 -10.202 0.919 1.00 0.00 C ATOM 566 CZ2 TRP A 37 14.091 -11.440 -1.202 1.00 0.00 C ATOM 567 CZ3 TRP A 37 15.927 -9.970 -0.383 1.00 0.00 C ATOM 568 CH2 TRP A 37 15.216 -10.568 -1.426 1.00 0.00 C ATOM 0 H TRP A 37 11.826 -11.405 4.128 1.00 0.00 H new ATOM 0 HA TRP A 37 13.705 -10.097 5.791 1.00 0.00 H new ATOM 0 HB2 TRP A 37 15.274 -10.773 3.879 1.00 0.00 H new ATOM 0 HB3 TRP A 37 14.320 -12.122 4.462 1.00 0.00 H new ATOM 0 HD1 TRP A 37 12.215 -12.906 2.808 1.00 0.00 H new ATOM 0 HE1 TRP A 37 12.002 -13.085 0.205 1.00 0.00 H new ATOM 0 HE3 TRP A 37 15.997 -9.713 1.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 13.572 -11.900 -2.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 16.786 -9.347 -0.581 1.00 0.00 H new ATOM 0 HH2 TRP A 37 15.522 -10.369 -2.442 1.00 0.00 H new ATOM 579 N CYS A 38 13.340 -7.672 5.000 1.00 0.00 N ATOM 580 CA CYS A 38 13.442 -6.226 4.662 1.00 0.00 C ATOM 581 C CYS A 38 13.621 -5.407 5.975 1.00 0.00 C ATOM 582 O CYS A 38 12.591 -4.815 6.380 1.00 0.00 O ATOM 583 CB CYS A 38 12.311 -5.783 3.687 1.00 0.00 C ATOM 584 SG CYS A 38 12.731 -4.099 3.296 1.00 0.00 S ATOM 0 H CYS A 38 13.171 -7.808 5.997 1.00 0.00 H new ATOM 0 HA CYS A 38 14.337 -6.014 4.077 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.284 -6.407 2.794 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.329 -5.853 4.154 1.00 0.00 H new ATOM 0 HG CYS A 38 11.650 -3.439 3.001 1.00 0.00 H new ATOM 590 N PRO A 39 14.840 -5.285 6.548 1.00 0.00 N ATOM 591 CA PRO A 39 15.145 -4.329 7.629 1.00 0.00 C ATOM 592 C PRO A 39 14.812 -2.826 7.419 1.00 0.00 C ATOM 593 O PRO A 39 14.293 -2.190 8.352 1.00 0.00 O ATOM 594 CB PRO A 39 16.610 -4.602 7.951 1.00 0.00 C ATOM 595 CG PRO A 39 16.989 -5.978 7.400 1.00 0.00 C ATOM 596 CD PRO A 39 15.968 -6.226 6.283 1.00 0.00 C ATOM 0 HA PRO A 39 14.462 -4.506 8.460 1.00 0.00 H new ATOM 0 HB2 PRO A 39 17.243 -3.832 7.510 1.00 0.00 H new ATOM 0 HB3 PRO A 39 16.772 -4.569 9.028 1.00 0.00 H new ATOM 0 HG2 PRO A 39 18.009 -5.987 7.017 1.00 0.00 H new ATOM 0 HG3 PRO A 39 16.931 -6.746 8.171 1.00 0.00 H new ATOM 0 HD2 PRO A 39 16.408 -6.043 5.303 1.00 0.00 H new ATOM 0 HD3 PRO A 39 15.624 -7.260 6.290 1.00 0.00 H new ATOM 604 N PRO A 40 15.063 -2.125 6.214 1.00 0.00 N ATOM 605 CA PRO A 40 14.465 -0.801 5.842 1.00 0.00 C ATOM 606 C PRO A 40 12.926 -0.793 5.990 1.00 0.00 C ATOM 607 O PRO A 40 12.475 -0.039 6.829 1.00 0.00 O ATOM 608 CB PRO A 40 15.002 -0.430 4.443 1.00 0.00 C ATOM 609 CG PRO A 40 16.299 -1.255 4.371 1.00 0.00 C ATOM 610 CD PRO A 40 16.106 -2.530 5.288 1.00 0.00 C ATOM 0 HA PRO A 40 14.771 -0.017 6.534 1.00 0.00 H new ATOM 0 HB2 PRO A 40 14.302 -0.700 3.652 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.192 0.639 4.349 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.508 -1.551 3.343 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.149 -0.663 4.712 1.00 0.00 H new ATOM 0 HD2 PRO A 40 15.810 -3.402 4.706 1.00 0.00 H new ATOM 0 HD3 PRO A 40 17.026 -2.793 5.810 1.00 0.00 H new ATOM 618 N CYS A 41 12.108 -1.664 5.306 1.00 0.00 N ATOM 619 CA CYS A 41 10.706 -1.962 5.646 1.00 0.00 C ATOM 620 C CYS A 41 10.321 -2.461 7.046 1.00 0.00 C ATOM 621 O CYS A 41 9.122 -2.342 7.453 1.00 0.00 O ATOM 622 CB CYS A 41 9.971 -2.788 4.606 1.00 0.00 C ATOM 623 SG CYS A 41 9.979 -2.018 2.962 1.00 0.00 S ATOM 0 H CYS A 41 12.431 -2.180 4.488 1.00 0.00 H new ATOM 0 HA CYS A 41 10.369 -0.925 5.652 1.00 0.00 H new ATOM 0 HB2 CYS A 41 10.429 -3.775 4.542 1.00 0.00 H new ATOM 0 HB3 CYS A 41 8.940 -2.936 4.928 1.00 0.00 H new ATOM 0 HG CYS A 41 9.337 -2.777 2.124 1.00 0.00 H new ATOM 629 N LYS A 42 11.167 -3.038 7.861 1.00 0.00 N ATOM 630 CA LYS A 42 11.065 -3.254 9.313 1.00 0.00 C ATOM 631 C LYS A 42 10.780 -1.911 10.062 1.00 0.00 C ATOM 632 O LYS A 42 9.799 -1.825 10.823 1.00 0.00 O ATOM 633 CB LYS A 42 12.284 -3.902 10.052 1.00 0.00 C ATOM 634 CG LYS A 42 11.930 -4.566 11.413 1.00 0.00 C ATOM 635 CD LYS A 42 13.138 -4.879 12.287 1.00 0.00 C ATOM 636 CE LYS A 42 12.677 -5.594 13.602 1.00 0.00 C ATOM 637 NZ LYS A 42 12.528 -7.013 13.325 1.00 0.00 N ATOM 0 H LYS A 42 12.044 -3.414 7.501 1.00 0.00 H new ATOM 0 HA LYS A 42 10.251 -3.978 9.357 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.731 -4.653 9.401 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.040 -3.136 10.221 1.00 0.00 H new ATOM 0 HG2 LYS A 42 11.259 -3.906 11.963 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.384 -5.490 11.223 1.00 0.00 H new ATOM 0 HD2 LYS A 42 13.836 -5.515 11.743 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.669 -3.959 12.531 1.00 0.00 H new ATOM 0 HE2 LYS A 42 13.408 -5.437 14.395 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.733 -5.175 13.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 12.222 -7.505 14.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.816 -7.148 12.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 13.439 -7.403 13.009 1.00 0.00 H new ATOM 650 N MET A 43 11.646 -0.900 9.881 1.00 0.00 N ATOM 651 CA MET A 43 11.350 0.577 10.174 1.00 0.00 C ATOM 652 C MET A 43 10.240 1.296 9.343 1.00 0.00 C ATOM 653 O MET A 43 9.480 2.075 9.878 1.00 0.00 O ATOM 654 CB MET A 43 12.638 1.435 10.386 1.00 0.00 C ATOM 655 CG MET A 43 13.374 2.034 9.165 1.00 0.00 C ATOM 656 SD MET A 43 14.969 2.747 9.772 1.00 0.00 S ATOM 657 CE MET A 43 16.017 2.378 8.396 1.00 0.00 C ATOM 0 H MET A 43 12.590 -1.050 9.525 1.00 0.00 H new ATOM 0 HA MET A 43 10.847 0.500 11.138 1.00 0.00 H new ATOM 0 HB2 MET A 43 12.372 2.263 11.043 1.00 0.00 H new ATOM 0 HB3 MET A 43 13.355 0.817 10.926 1.00 0.00 H new ATOM 0 HG2 MET A 43 13.559 1.266 8.414 1.00 0.00 H new ATOM 0 HG3 MET A 43 12.766 2.804 8.691 1.00 0.00 H new ATOM 0 HE1 MET A 43 17.024 2.743 8.598 1.00 0.00 H new ATOM 0 HE2 MET A 43 16.046 1.300 8.240 1.00 0.00 H new ATOM 0 HE3 MET A 43 15.628 2.864 7.501 1.00 0.00 H new ATOM 667 N ILE A 44 10.094 1.088 7.988 1.00 0.00 N ATOM 668 CA ILE A 44 8.902 1.566 7.151 1.00 0.00 C ATOM 669 C ILE A 44 7.537 1.095 7.597 1.00 0.00 C ATOM 670 O ILE A 44 6.611 1.862 7.545 1.00 0.00 O ATOM 671 CB ILE A 44 9.040 1.469 5.577 1.00 0.00 C ATOM 672 CG1 ILE A 44 8.826 2.836 4.904 1.00 0.00 C ATOM 673 CG2 ILE A 44 8.095 0.423 4.880 1.00 0.00 C ATOM 674 CD1 ILE A 44 9.881 3.833 5.412 1.00 0.00 C ATOM 0 H ILE A 44 10.790 0.587 7.436 1.00 0.00 H new ATOM 0 HA ILE A 44 8.962 2.628 7.389 1.00 0.00 H new ATOM 0 HB ILE A 44 10.062 1.117 5.437 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.899 2.735 3.821 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.825 3.208 5.123 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.269 0.436 3.804 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.305 -0.573 5.270 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.055 0.680 5.083 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.727 4.800 4.934 1.00 0.00 H new ATOM 0 HD12 ILE A 44 9.787 3.943 6.492 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.877 3.463 5.170 1.00 0.00 H new ATOM 686 N ALA A 45 7.343 -0.164 8.135 1.00 0.00 N ATOM 687 CA ALA A 45 6.111 -0.613 8.849 1.00 0.00 C ATOM 688 C ALA A 45 5.610 0.330 9.984 1.00 0.00 C ATOM 689 O ALA A 45 4.519 0.865 9.819 1.00 0.00 O ATOM 690 CB ALA A 45 6.154 -2.116 9.103 1.00 0.00 C ATOM 0 H ALA A 45 8.053 -0.894 8.077 1.00 0.00 H new ATOM 0 HA ALA A 45 5.259 -0.485 8.181 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.247 -2.423 9.624 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.222 -2.644 8.152 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.023 -2.357 9.715 1.00 0.00 H new ATOM 696 N PRO A 46 6.393 0.700 11.075 1.00 0.00 N ATOM 697 CA PRO A 46 6.102 1.894 11.985 1.00 0.00 C ATOM 698 C PRO A 46 5.794 3.317 11.274 1.00 0.00 C ATOM 699 O PRO A 46 4.766 3.941 11.629 1.00 0.00 O ATOM 700 CB PRO A 46 7.242 1.853 12.976 1.00 0.00 C ATOM 701 CG PRO A 46 7.750 0.395 13.038 1.00 0.00 C ATOM 702 CD PRO A 46 7.512 -0.056 11.594 1.00 0.00 C ATOM 0 HA PRO A 46 5.131 1.804 12.472 1.00 0.00 H new ATOM 0 HB2 PRO A 46 8.043 2.525 12.668 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.908 2.185 13.959 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.801 0.336 13.321 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.192 -0.206 13.756 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.402 0.115 10.989 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.301 -1.125 11.557 1.00 0.00 H new ATOM 710 N ILE A 47 6.566 3.657 10.275 1.00 0.00 N ATOM 711 CA ILE A 47 6.143 4.762 9.285 1.00 0.00 C ATOM 712 C ILE A 47 4.742 4.652 8.677 1.00 0.00 C ATOM 713 O ILE A 47 3.929 5.530 8.977 1.00 0.00 O ATOM 714 CB ILE A 47 7.262 5.142 8.273 1.00 0.00 C ATOM 715 CG1 ILE A 47 8.591 5.519 8.957 1.00 0.00 C ATOM 716 CG2 ILE A 47 6.885 6.207 7.244 1.00 0.00 C ATOM 717 CD1 ILE A 47 8.595 6.789 9.795 1.00 0.00 C ATOM 0 H ILE A 47 7.473 3.234 10.080 1.00 0.00 H new ATOM 0 HA ILE A 47 6.018 5.630 9.933 1.00 0.00 H new ATOM 0 HB ILE A 47 7.400 4.216 7.714 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.891 4.689 9.597 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.354 5.619 8.185 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.735 6.397 6.589 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.040 5.857 6.651 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.610 7.128 7.758 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.587 6.941 10.220 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.335 7.641 9.166 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.866 6.696 10.600 1.00 0.00 H new ATOM 729 N PHE A 48 4.470 3.611 7.893 1.00 0.00 N ATOM 730 CA PHE A 48 3.123 3.214 7.403 1.00 0.00 C ATOM 731 C PHE A 48 1.943 3.294 8.435 1.00 0.00 C ATOM 732 O PHE A 48 1.025 4.026 8.047 1.00 0.00 O ATOM 733 CB PHE A 48 3.440 1.810 6.711 1.00 0.00 C ATOM 734 CG PHE A 48 2.599 1.420 5.507 1.00 0.00 C ATOM 735 CD1 PHE A 48 2.639 2.117 4.295 1.00 0.00 C ATOM 736 CD2 PHE A 48 1.810 0.288 5.624 1.00 0.00 C ATOM 737 CE1 PHE A 48 1.771 1.802 3.275 1.00 0.00 C ATOM 738 CE2 PHE A 48 1.033 -0.150 4.560 1.00 0.00 C ATOM 739 CZ PHE A 48 1.011 0.633 3.401 1.00 0.00 C ATOM 0 H PHE A 48 5.203 2.985 7.560 1.00 0.00 H new ATOM 0 HA PHE A 48 2.678 3.922 6.704 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.486 1.814 6.405 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.331 1.030 7.465 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.359 2.911 4.158 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.799 -0.261 6.554 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.679 2.436 2.405 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.464 -1.066 4.625 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.387 0.325 2.575 1.00 0.00 H new ATOM 749 N ALA A 49 2.059 2.738 9.659 1.00 0.00 N ATOM 750 CA ALA A 49 1.251 3.081 10.796 1.00 0.00 C ATOM 751 C ALA A 49 1.088 4.537 11.345 1.00 0.00 C ATOM 752 O ALA A 49 -0.077 4.929 11.564 1.00 0.00 O ATOM 753 CB ALA A 49 1.543 2.126 11.959 1.00 0.00 C ATOM 0 H ALA A 49 2.748 2.015 9.866 1.00 0.00 H new ATOM 0 HA ALA A 49 0.277 2.978 10.318 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.925 2.396 12.815 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.317 1.104 11.656 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.595 2.199 12.234 1.00 0.00 H new ATOM 759 N GLU A 50 2.210 5.288 11.625 1.00 0.00 N ATOM 760 CA GLU A 50 2.080 6.787 11.974 1.00 0.00 C ATOM 761 C GLU A 50 1.234 7.647 10.977 1.00 0.00 C ATOM 762 O GLU A 50 0.398 8.485 11.337 1.00 0.00 O ATOM 763 CB GLU A 50 3.390 7.379 12.467 1.00 0.00 C ATOM 764 CG GLU A 50 3.260 8.661 13.344 1.00 0.00 C ATOM 765 CD GLU A 50 4.556 9.026 14.120 1.00 0.00 C ATOM 766 OE1 GLU A 50 4.533 9.131 15.325 1.00 0.00 O ATOM 767 OE2 GLU A 50 5.655 9.193 13.303 1.00 0.00 O ATOM 0 H GLU A 50 3.164 4.927 11.623 1.00 0.00 H new ATOM 0 HA GLU A 50 1.425 6.838 12.844 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.918 6.619 13.042 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.011 7.613 11.602 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.982 9.500 12.706 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.448 8.521 14.058 1.00 0.00 H new ATOM 775 N LEU A 51 1.641 7.603 9.756 1.00 0.00 N ATOM 776 CA LEU A 51 0.910 8.135 8.610 1.00 0.00 C ATOM 777 C LEU A 51 -0.577 7.639 8.373 1.00 0.00 C ATOM 778 O LEU A 51 -1.448 8.474 8.188 1.00 0.00 O ATOM 779 CB LEU A 51 1.895 7.997 7.451 1.00 0.00 C ATOM 780 CG LEU A 51 1.490 8.350 6.029 1.00 0.00 C ATOM 781 CD1 LEU A 51 0.782 7.150 5.312 1.00 0.00 C ATOM 782 CD2 LEU A 51 0.627 9.598 5.926 1.00 0.00 C ATOM 0 H LEU A 51 2.532 7.180 9.495 1.00 0.00 H new ATOM 0 HA LEU A 51 0.629 9.175 8.777 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.763 8.609 7.696 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.229 6.960 7.439 1.00 0.00 H new ATOM 0 HG LEU A 51 2.427 8.571 5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.508 7.442 4.298 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.460 6.298 5.273 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.116 6.874 5.865 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.379 9.784 4.881 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.291 9.454 6.496 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.173 10.452 6.327 1.00 0.00 H new ATOM 794 N ALA A 52 -0.940 6.359 8.513 1.00 0.00 N ATOM 795 CA ALA A 52 -2.363 5.915 8.684 1.00 0.00 C ATOM 796 C ALA A 52 -3.127 6.737 9.788 1.00 0.00 C ATOM 797 O ALA A 52 -4.247 7.134 9.515 1.00 0.00 O ATOM 798 CB ALA A 52 -2.370 4.403 8.996 1.00 0.00 C ATOM 0 H ALA A 52 -0.271 5.589 8.513 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.902 6.105 7.756 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.398 4.063 9.124 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.907 3.859 8.172 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.810 4.218 9.913 1.00 0.00 H new ATOM 804 N LYS A 53 -2.543 6.782 10.941 1.00 0.00 N ATOM 805 CA LYS A 53 -3.044 7.734 12.028 1.00 0.00 C ATOM 806 C LYS A 53 -3.179 9.268 11.750 1.00 0.00 C ATOM 807 O LYS A 53 -3.980 9.947 12.347 1.00 0.00 O ATOM 808 CB LYS A 53 -2.127 7.439 13.267 1.00 0.00 C ATOM 809 CG LYS A 53 -2.223 5.945 13.926 1.00 0.00 C ATOM 810 CD LYS A 53 -1.206 5.891 15.085 1.00 0.00 C ATOM 811 CE LYS A 53 -1.103 4.483 15.652 1.00 0.00 C ATOM 812 NZ LYS A 53 0.076 4.449 16.584 1.00 0.00 N ATOM 0 H LYS A 53 -1.739 6.212 11.205 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.104 7.516 12.155 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.092 7.612 12.971 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.363 8.167 14.043 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.232 5.749 14.290 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.999 5.181 13.182 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.228 6.217 14.731 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.508 6.583 15.871 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.017 4.217 16.182 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.977 3.756 14.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.172 3.496 16.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.941 4.691 16.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.067 5.137 17.351 1.00 0.00 H new ATOM 825 N LYS A 54 -2.207 9.814 10.989 1.00 0.00 N ATOM 826 CA LYS A 54 -2.237 11.192 10.522 1.00 0.00 C ATOM 827 C LYS A 54 -3.464 11.604 9.554 1.00 0.00 C ATOM 828 O LYS A 54 -3.846 12.776 9.481 1.00 0.00 O ATOM 829 CB LYS A 54 -0.770 11.397 10.037 1.00 0.00 C ATOM 830 CG LYS A 54 -0.366 12.818 9.729 1.00 0.00 C ATOM 831 CD LYS A 54 0.993 12.983 8.966 1.00 0.00 C ATOM 832 CE LYS A 54 2.275 12.445 9.691 1.00 0.00 C ATOM 833 NZ LYS A 54 3.483 12.605 8.839 1.00 0.00 N ATOM 0 H LYS A 54 -1.381 9.298 10.687 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.501 11.921 11.288 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.098 11.007 10.802 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.617 10.795 9.141 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.154 13.281 9.135 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.306 13.371 10.666 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.908 12.477 8.005 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.140 14.043 8.756 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.416 12.980 10.630 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.140 11.393 9.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.315 12.240 9.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.356 12.074 7.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.624 13.612 8.622 1.00 0.00 H new ATOM 846 N PHE A 55 -3.857 10.599 8.707 1.00 0.00 N ATOM 847 CA PHE A 55 -4.612 10.739 7.433 1.00 0.00 C ATOM 848 C PHE A 55 -5.856 9.736 7.516 1.00 0.00 C ATOM 849 O PHE A 55 -5.699 8.563 7.181 1.00 0.00 O ATOM 850 CB PHE A 55 -3.632 10.481 6.235 1.00 0.00 C ATOM 851 CG PHE A 55 -2.829 11.655 5.707 1.00 0.00 C ATOM 852 CD1 PHE A 55 -1.729 12.113 6.426 1.00 0.00 C ATOM 853 CD2 PHE A 55 -3.366 12.386 4.691 1.00 0.00 C ATOM 854 CE1 PHE A 55 -1.143 13.311 6.001 1.00 0.00 C ATOM 855 CE2 PHE A 55 -2.824 13.569 4.291 1.00 0.00 C ATOM 856 CZ PHE A 55 -1.671 14.040 4.942 1.00 0.00 C ATOM 0 H PHE A 55 -3.641 9.624 8.912 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.013 11.739 7.269 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -2.929 9.705 6.539 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.215 10.076 5.408 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.344 11.568 7.275 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.247 12.016 4.188 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.262 13.677 6.507 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.272 14.135 3.488 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.200 14.958 4.623 1.00 0.00 H new ATOM 866 N PRO A 56 -7.129 10.172 7.825 1.00 0.00 N ATOM 867 CA PRO A 56 -8.455 9.421 7.776 1.00 0.00 C ATOM 868 C PRO A 56 -9.215 8.842 6.406 1.00 0.00 C ATOM 869 O PRO A 56 -10.131 7.982 6.456 1.00 0.00 O ATOM 870 CB PRO A 56 -9.379 10.269 8.589 1.00 0.00 C ATOM 871 CG PRO A 56 -8.987 11.700 8.249 1.00 0.00 C ATOM 872 CD PRO A 56 -7.471 11.649 7.963 1.00 0.00 C ATOM 0 HA PRO A 56 -8.171 8.425 8.117 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.421 10.073 8.337 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.266 10.070 9.655 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.539 12.064 7.382 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.209 12.376 9.075 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.226 12.195 7.052 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.904 12.109 8.772 1.00 0.00 H new ATOM 880 N ASN A 57 -8.938 9.484 5.287 1.00 0.00 N ATOM 881 CA ASN A 57 -9.478 9.222 3.911 1.00 0.00 C ATOM 882 C ASN A 57 -8.910 7.930 3.138 1.00 0.00 C ATOM 883 O ASN A 57 -9.340 7.682 1.972 1.00 0.00 O ATOM 884 CB ASN A 57 -9.285 10.575 3.159 1.00 0.00 C ATOM 885 CG ASN A 57 -7.818 11.102 2.970 1.00 0.00 C ATOM 886 OD1 ASN A 57 -7.082 10.393 2.286 1.00 0.00 O ATOM 887 ND2 ASN A 57 -7.381 12.179 3.616 1.00 0.00 N ATOM 0 H ASN A 57 -8.283 10.266 5.286 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.525 8.923 3.968 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.736 10.477 2.172 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.850 11.339 3.693 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.399 12.446 3.555 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.028 12.738 4.172 1.00 0.00 H new ATOM 894 N VAL A 58 -8.077 7.195 3.777 1.00 0.00 N ATOM 895 CA VAL A 58 -7.136 6.320 3.046 1.00 0.00 C ATOM 896 C VAL A 58 -6.868 4.990 3.916 1.00 0.00 C ATOM 897 O VAL A 58 -6.306 4.979 5.023 1.00 0.00 O ATOM 898 CB VAL A 58 -5.834 7.206 2.784 1.00 0.00 C ATOM 899 CG1 VAL A 58 -5.234 8.130 3.924 1.00 0.00 C ATOM 900 CG2 VAL A 58 -4.707 6.446 2.114 1.00 0.00 C ATOM 0 H VAL A 58 -8.000 7.157 4.793 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.516 5.966 2.088 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.301 7.927 2.113 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.352 8.648 3.546 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.981 8.862 4.230 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.955 7.516 4.781 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.856 7.111 1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.408 5.608 2.744 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.045 6.071 1.148 1.00 0.00 H new ATOM 910 N THR A 59 -7.308 3.830 3.344 1.00 0.00 N ATOM 911 CA THR A 59 -6.927 2.463 3.735 1.00 0.00 C ATOM 912 C THR A 59 -5.455 2.084 3.300 1.00 0.00 C ATOM 913 O THR A 59 -4.843 2.612 2.373 1.00 0.00 O ATOM 914 CB THR A 59 -7.995 1.489 3.098 1.00 0.00 C ATOM 915 OG1 THR A 59 -9.167 1.713 3.711 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.779 -0.049 2.978 1.00 0.00 C ATOM 0 H THR A 59 -7.966 3.837 2.565 1.00 0.00 H new ATOM 0 HA THR A 59 -6.922 2.380 4.822 1.00 0.00 H new ATOM 0 HB THR A 59 -7.916 1.763 2.046 1.00 0.00 H new ATOM 0 HG1 THR A 59 -9.810 1.020 3.451 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.651 -0.503 2.507 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.895 -0.246 2.372 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.640 -0.475 3.971 1.00 0.00 H new ATOM 924 N PHE A 60 -4.890 1.123 4.016 1.00 0.00 N ATOM 925 CA PHE A 60 -3.479 0.751 3.970 1.00 0.00 C ATOM 926 C PHE A 60 -3.300 -0.790 4.184 1.00 0.00 C ATOM 927 O PHE A 60 -3.755 -1.407 5.132 1.00 0.00 O ATOM 928 CB PHE A 60 -2.646 1.558 5.088 1.00 0.00 C ATOM 929 CG PHE A 60 -2.492 3.031 4.794 1.00 0.00 C ATOM 930 CD1 PHE A 60 -1.592 3.552 3.841 1.00 0.00 C ATOM 931 CD2 PHE A 60 -3.371 3.908 5.472 1.00 0.00 C ATOM 932 CE1 PHE A 60 -1.468 4.976 3.683 1.00 0.00 C ATOM 933 CE2 PHE A 60 -3.247 5.298 5.315 1.00 0.00 C ATOM 934 CZ PHE A 60 -2.326 5.803 4.394 1.00 0.00 C ATOM 0 H PHE A 60 -5.424 0.555 4.674 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.096 1.012 2.984 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.142 1.440 6.052 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.656 1.111 5.182 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -0.999 2.885 3.233 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -4.141 3.506 6.114 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.722 5.394 3.024 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.857 5.970 5.900 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.280 6.870 4.230 1.00 0.00 H new ATOM 944 N LEU A 61 -2.532 -1.419 3.293 1.00 0.00 N ATOM 945 CA LEU A 61 -2.378 -2.961 3.164 1.00 0.00 C ATOM 946 C LEU A 61 -0.987 -3.301 2.689 1.00 0.00 C ATOM 947 O LEU A 61 -0.202 -2.545 2.127 1.00 0.00 O ATOM 948 CB LEU A 61 -3.701 -3.551 2.531 1.00 0.00 C ATOM 949 CG LEU A 61 -3.765 -3.798 0.998 1.00 0.00 C ATOM 950 CD1 LEU A 61 -3.233 -5.183 0.553 1.00 0.00 C ATOM 951 CD2 LEU A 61 -5.225 -3.831 0.540 1.00 0.00 C ATOM 0 H LEU A 61 -1.972 -0.911 2.609 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.358 -3.536 4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.905 -4.501 3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.517 -2.876 2.789 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.161 -2.996 0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.314 -5.273 -0.530 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.189 -5.284 0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.822 -5.968 1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.265 -4.004 -0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.750 -4.634 1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.701 -2.878 0.772 1.00 0.00 H new ATOM 963 N LYS A 62 -0.553 -4.457 3.256 1.00 0.00 N ATOM 964 CA LYS A 62 0.883 -4.878 3.314 1.00 0.00 C ATOM 965 C LYS A 62 0.995 -6.386 3.182 1.00 0.00 C ATOM 966 O LYS A 62 0.547 -7.235 3.975 1.00 0.00 O ATOM 967 CB LYS A 62 1.706 -4.239 4.493 1.00 0.00 C ATOM 968 CG LYS A 62 1.242 -4.537 5.925 1.00 0.00 C ATOM 969 CD LYS A 62 2.212 -4.068 7.081 1.00 0.00 C ATOM 970 CE LYS A 62 3.540 -4.881 7.235 1.00 0.00 C ATOM 971 NZ LYS A 62 3.334 -6.205 7.871 1.00 0.00 N ATOM 0 H LYS A 62 -1.187 -5.129 3.689 1.00 0.00 H new ATOM 0 HA LYS A 62 1.387 -4.452 2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.740 -4.570 4.399 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.704 -3.158 4.357 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.272 -4.063 6.077 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.090 -5.612 6.020 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.467 -3.022 6.912 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.669 -4.115 8.025 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.990 -5.021 6.252 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.247 -4.303 7.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.246 -6.699 7.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.930 -6.075 8.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.681 -6.771 7.292 1.00 0.00 H new ATOM 984 N VAL A 63 1.716 -6.734 2.119 1.00 0.00 N ATOM 985 CA VAL A 63 1.765 -7.987 1.406 1.00 0.00 C ATOM 986 C VAL A 63 3.197 -8.609 1.353 1.00 0.00 C ATOM 987 O VAL A 63 4.118 -8.038 0.736 1.00 0.00 O ATOM 988 CB VAL A 63 1.171 -7.747 -0.037 1.00 0.00 C ATOM 989 CG1 VAL A 63 0.906 -8.997 -0.776 1.00 0.00 C ATOM 990 CG2 VAL A 63 -0.126 -6.933 -0.097 1.00 0.00 C ATOM 0 H VAL A 63 2.351 -6.057 1.695 1.00 0.00 H new ATOM 0 HA VAL A 63 1.166 -8.723 1.942 1.00 0.00 H new ATOM 0 HB VAL A 63 1.972 -7.170 -0.499 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.499 -8.759 -1.759 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.835 -9.555 -0.893 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.187 -9.602 -0.223 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.443 -6.830 -1.135 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.903 -7.444 0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.045 -5.945 0.330 1.00 0.00 H new ATOM 1000 N ASP A 64 3.297 -9.853 1.902 1.00 0.00 N ATOM 1001 CA ASP A 64 4.345 -10.817 1.550 1.00 0.00 C ATOM 1002 C ASP A 64 4.303 -11.156 0.039 1.00 0.00 C ATOM 1003 O ASP A 64 3.519 -11.984 -0.394 1.00 0.00 O ATOM 1004 CB ASP A 64 4.107 -12.110 2.384 1.00 0.00 C ATOM 1005 CG ASP A 64 5.293 -13.144 2.398 1.00 0.00 C ATOM 1006 OD1 ASP A 64 5.344 -14.003 1.544 1.00 0.00 O ATOM 1007 OD2 ASP A 64 6.254 -12.883 3.304 1.00 0.00 O ATOM 0 H ASP A 64 2.643 -10.203 2.603 1.00 0.00 H new ATOM 0 HA ASP A 64 5.323 -10.388 1.768 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.889 -11.821 3.412 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.219 -12.610 1.998 1.00 0.00 H new ATOM 1013 N VAL A 65 5.243 -10.525 -0.710 1.00 0.00 N ATOM 1014 CA VAL A 65 5.663 -10.717 -2.159 1.00 0.00 C ATOM 1015 C VAL A 65 6.216 -12.152 -2.582 1.00 0.00 C ATOM 1016 O VAL A 65 5.955 -12.653 -3.695 1.00 0.00 O ATOM 1017 CB VAL A 65 6.498 -9.563 -2.547 1.00 0.00 C ATOM 1018 CG1 VAL A 65 8.030 -9.795 -2.138 1.00 0.00 C ATOM 1019 CG2 VAL A 65 6.508 -9.338 -4.027 1.00 0.00 C ATOM 0 H VAL A 65 5.798 -9.783 -0.284 1.00 0.00 H new ATOM 0 HA VAL A 65 4.757 -10.729 -2.764 1.00 0.00 H new ATOM 0 HB VAL A 65 6.061 -8.709 -2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.621 -8.929 -2.436 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.102 -9.930 -1.059 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.410 -10.684 -2.641 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.136 -8.478 -4.260 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.903 -10.222 -4.527 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.492 -9.149 -4.373 1.00 0.00 H new ATOM 1029 N ASP A 66 6.956 -12.891 -1.775 1.00 0.00 N ATOM 1030 CA ASP A 66 7.162 -14.360 -2.030 1.00 0.00 C ATOM 1031 C ASP A 66 5.911 -15.269 -2.383 1.00 0.00 C ATOM 1032 O ASP A 66 5.788 -16.005 -3.356 1.00 0.00 O ATOM 1033 CB ASP A 66 8.164 -14.956 -0.945 1.00 0.00 C ATOM 1034 CG ASP A 66 9.496 -14.175 -0.626 1.00 0.00 C ATOM 1035 OD1 ASP A 66 9.546 -13.136 0.045 1.00 0.00 O ATOM 1036 OD2 ASP A 66 10.580 -14.923 -0.987 1.00 0.00 O ATOM 0 H ASP A 66 7.429 -12.534 -0.945 1.00 0.00 H new ATOM 0 HA ASP A 66 7.627 -14.405 -3.015 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.613 -15.062 -0.011 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.440 -15.960 -1.268 1.00 0.00 H new ATOM 1042 N GLU A 67 4.852 -15.097 -1.584 1.00 0.00 N ATOM 1043 CA GLU A 67 3.492 -15.620 -1.782 1.00 0.00 C ATOM 1044 C GLU A 67 2.670 -15.093 -2.921 1.00 0.00 C ATOM 1045 O GLU A 67 1.729 -15.693 -3.420 1.00 0.00 O ATOM 1046 CB GLU A 67 2.716 -15.494 -0.391 1.00 0.00 C ATOM 1047 CG GLU A 67 3.265 -16.328 0.741 1.00 0.00 C ATOM 1048 CD GLU A 67 2.452 -16.261 2.000 1.00 0.00 C ATOM 1049 OE1 GLU A 67 2.568 -15.421 2.825 1.00 0.00 O ATOM 1050 OE2 GLU A 67 1.426 -17.179 2.040 1.00 0.00 O ATOM 0 H GLU A 67 4.925 -14.553 -0.724 1.00 0.00 H new ATOM 0 HA GLU A 67 3.635 -16.651 -2.105 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.724 -14.448 -0.085 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.674 -15.771 -0.551 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.327 -17.367 0.416 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.282 -16.001 0.960 1.00 0.00 H new ATOM 1058 N LEU A 68 2.994 -13.866 -3.417 1.00 0.00 N ATOM 1059 CA LEU A 68 2.203 -13.028 -4.358 1.00 0.00 C ATOM 1060 C LEU A 68 3.088 -12.133 -5.279 1.00 0.00 C ATOM 1061 O LEU A 68 2.949 -10.905 -5.387 1.00 0.00 O ATOM 1062 CB LEU A 68 1.157 -12.202 -3.587 1.00 0.00 C ATOM 1063 CG LEU A 68 -0.089 -12.872 -2.925 1.00 0.00 C ATOM 1064 CD1 LEU A 68 -0.927 -11.756 -2.297 1.00 0.00 C ATOM 1065 CD2 LEU A 68 -1.081 -13.651 -3.854 1.00 0.00 C ATOM 0 H LEU A 68 3.867 -13.410 -3.153 1.00 0.00 H new ATOM 0 HA LEU A 68 1.682 -13.708 -5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.691 -11.675 -2.796 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.781 -11.446 -4.276 1.00 0.00 H new ATOM 0 HG LEU A 68 0.339 -13.611 -2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.809 -12.186 -1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.333 -11.232 -1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.237 -11.054 -3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.895 -14.060 -3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.488 -12.971 -4.603 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.552 -14.464 -4.351 1.00 0.00 H new ATOM 1077 N LYS A 69 3.961 -12.826 -5.979 1.00 0.00 N ATOM 1078 CA LYS A 69 4.908 -12.332 -6.986 1.00 0.00 C ATOM 1079 C LYS A 69 4.196 -12.125 -8.421 1.00 0.00 C ATOM 1080 O LYS A 69 4.348 -11.037 -8.981 1.00 0.00 O ATOM 1081 CB LYS A 69 6.253 -13.074 -6.941 1.00 0.00 C ATOM 1082 CG LYS A 69 6.277 -14.602 -7.262 1.00 0.00 C ATOM 1083 CD LYS A 69 7.639 -15.340 -7.288 1.00 0.00 C ATOM 1084 CE LYS A 69 8.007 -15.819 -5.889 1.00 0.00 C ATOM 1085 NZ LYS A 69 9.467 -15.698 -5.544 1.00 0.00 N ATOM 0 H LYS A 69 4.042 -13.835 -5.856 1.00 0.00 H new ATOM 0 HA LYS A 69 5.217 -11.318 -6.732 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.927 -12.579 -7.640 1.00 0.00 H new ATOM 0 HB3 LYS A 69 6.672 -12.939 -5.944 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.645 -15.103 -6.529 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.808 -14.742 -8.236 1.00 0.00 H new ATOM 0 HD2 LYS A 69 7.587 -16.190 -7.969 1.00 0.00 H new ATOM 0 HD3 LYS A 69 8.414 -14.674 -7.668 1.00 0.00 H new ATOM 0 HE2 LYS A 69 7.428 -15.250 -5.161 1.00 0.00 H new ATOM 0 HE3 LYS A 69 7.709 -16.863 -5.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 9.625 -16.046 -4.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.029 -16.263 -6.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 9.757 -14.701 -5.605 1.00 0.00 H new ATOM 1098 N ALA A 70 3.481 -13.075 -8.961 1.00 0.00 N ATOM 1099 CA ALA A 70 2.732 -12.846 -10.256 1.00 0.00 C ATOM 1100 C ALA A 70 1.848 -11.569 -10.388 1.00 0.00 C ATOM 1101 O ALA A 70 1.883 -10.800 -11.370 1.00 0.00 O ATOM 1102 CB ALA A 70 2.046 -14.179 -10.676 1.00 0.00 C ATOM 0 H ALA A 70 3.376 -14.010 -8.567 1.00 0.00 H new ATOM 0 HA ALA A 70 3.486 -12.569 -10.993 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.502 -14.030 -11.608 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.804 -14.949 -10.817 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.351 -14.492 -9.896 1.00 0.00 H new ATOM 1108 N VAL A 71 0.961 -11.392 -9.347 1.00 0.00 N ATOM 1109 CA VAL A 71 0.160 -10.123 -9.054 1.00 0.00 C ATOM 1110 C VAL A 71 1.005 -8.893 -8.621 1.00 0.00 C ATOM 1111 O VAL A 71 0.607 -7.792 -9.064 1.00 0.00 O ATOM 1112 CB VAL A 71 -0.950 -10.506 -8.033 1.00 0.00 C ATOM 1113 CG1 VAL A 71 -0.401 -10.739 -6.599 1.00 0.00 C ATOM 1114 CG2 VAL A 71 -1.963 -9.411 -8.022 1.00 0.00 C ATOM 0 H VAL A 71 0.773 -12.133 -8.672 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.283 -9.767 -9.984 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.392 -11.452 -8.346 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.223 -11.003 -5.933 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.327 -11.550 -6.616 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.078 -9.828 -6.240 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.754 -9.654 -7.313 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.486 -8.477 -7.726 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.390 -9.301 -9.019 1.00 0.00 H new ATOM 1124 N ALA A 72 2.038 -8.917 -7.731 1.00 0.00 N ATOM 1125 CA ALA A 72 2.934 -7.730 -7.543 1.00 0.00 C ATOM 1126 C ALA A 72 3.405 -7.038 -8.816 1.00 0.00 C ATOM 1127 O ALA A 72 3.198 -5.806 -9.050 1.00 0.00 O ATOM 1128 CB ALA A 72 4.090 -8.001 -6.621 1.00 0.00 C ATOM 0 H ALA A 72 2.270 -9.720 -7.146 1.00 0.00 H new ATOM 0 HA ALA A 72 2.269 -7.013 -7.062 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.699 -7.102 -6.528 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.713 -8.287 -5.639 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.697 -8.810 -7.027 1.00 0.00 H new ATOM 1134 N GLU A 73 4.032 -7.914 -9.619 1.00 0.00 N ATOM 1135 CA GLU A 73 4.474 -7.594 -10.956 1.00 0.00 C ATOM 1136 C GLU A 73 3.296 -6.939 -11.771 1.00 0.00 C ATOM 1137 O GLU A 73 3.524 -5.767 -12.120 1.00 0.00 O ATOM 1138 CB GLU A 73 5.120 -8.859 -11.732 1.00 0.00 C ATOM 1139 CG GLU A 73 6.299 -9.486 -11.044 1.00 0.00 C ATOM 1140 CD GLU A 73 6.923 -10.631 -11.887 1.00 0.00 C ATOM 1141 OE1 GLU A 73 7.056 -11.756 -11.362 1.00 0.00 O ATOM 1142 OE2 GLU A 73 7.252 -10.235 -13.119 1.00 0.00 O ATOM 0 H GLU A 73 4.241 -8.872 -9.339 1.00 0.00 H new ATOM 0 HA GLU A 73 5.283 -6.869 -10.868 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.349 -9.618 -11.865 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.427 -8.538 -12.728 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.054 -8.724 -10.852 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.988 -9.877 -10.075 1.00 0.00 H new ATOM 1150 N GLU A 74 2.148 -7.648 -11.894 1.00 0.00 N ATOM 1151 CA GLU A 74 0.930 -7.097 -12.582 1.00 0.00 C ATOM 1152 C GLU A 74 0.480 -5.619 -12.279 1.00 0.00 C ATOM 1153 O GLU A 74 0.434 -4.795 -13.251 1.00 0.00 O ATOM 1154 CB GLU A 74 -0.193 -8.206 -12.611 1.00 0.00 C ATOM 1155 CG GLU A 74 -1.500 -8.172 -11.781 1.00 0.00 C ATOM 1156 CD GLU A 74 -2.613 -9.312 -12.124 1.00 0.00 C ATOM 1157 OE1 GLU A 74 -2.479 -10.489 -11.866 1.00 0.00 O ATOM 1158 OE2 GLU A 74 -3.703 -8.756 -12.732 1.00 0.00 O ATOM 0 H GLU A 74 2.029 -8.595 -11.533 1.00 0.00 H new ATOM 0 HA GLU A 74 1.234 -6.886 -13.607 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.503 -8.291 -13.653 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.303 -9.141 -12.349 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.236 -8.260 -10.727 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.962 -7.194 -11.914 1.00 0.00 H new ATOM 1166 N TRP A 75 0.339 -5.169 -11.020 1.00 0.00 N ATOM 1167 CA TRP A 75 0.193 -3.725 -10.646 1.00 0.00 C ATOM 1168 C TRP A 75 1.334 -2.670 -10.816 1.00 0.00 C ATOM 1169 O TRP A 75 1.091 -1.491 -11.137 1.00 0.00 O ATOM 1170 CB TRP A 75 -0.394 -3.533 -9.265 1.00 0.00 C ATOM 1171 CG TRP A 75 -1.466 -4.519 -8.685 1.00 0.00 C ATOM 1172 CD1 TRP A 75 -1.437 -5.249 -7.462 1.00 0.00 C ATOM 1173 CD2 TRP A 75 -2.664 -5.068 -9.316 1.00 0.00 C ATOM 1174 NE1 TRP A 75 -2.450 -6.211 -7.251 1.00 0.00 N ATOM 1175 CE2 TRP A 75 -3.189 -6.098 -8.499 1.00 0.00 C ATOM 1176 CE3 TRP A 75 -3.276 -4.787 -10.538 1.00 0.00 C ATOM 1177 CZ2 TRP A 75 -4.239 -6.899 -8.921 1.00 0.00 C ATOM 1178 CZ3 TRP A 75 -4.453 -5.425 -10.870 1.00 0.00 C ATOM 1179 CH2 TRP A 75 -4.829 -6.550 -10.149 1.00 0.00 C ATOM 0 H TRP A 75 0.321 -5.794 -10.214 1.00 0.00 H new ATOM 0 HA TRP A 75 -0.467 -3.482 -11.479 1.00 0.00 H new ATOM 0 HB2 TRP A 75 0.441 -3.525 -8.564 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -0.836 -2.537 -9.245 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -0.669 -5.074 -6.723 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -2.617 -6.816 -6.447 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -2.832 -4.076 -11.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -4.584 -7.742 -8.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -5.070 -5.056 -11.676 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -5.607 -7.184 -10.548 1.00 0.00 H new ATOM 1190 N ASN A 76 2.589 -3.148 -10.670 1.00 0.00 N ATOM 1191 CA ASN A 76 3.800 -2.601 -11.379 1.00 0.00 C ATOM 1192 C ASN A 76 5.134 -2.701 -10.500 1.00 0.00 C ATOM 1193 O ASN A 76 5.616 -1.730 -9.889 1.00 0.00 O ATOM 1194 CB ASN A 76 3.614 -1.338 -12.346 1.00 0.00 C ATOM 1195 CG ASN A 76 4.792 -1.087 -13.294 1.00 0.00 C ATOM 1196 OD1 ASN A 76 5.710 -0.299 -13.040 1.00 0.00 O ATOM 1197 ND2 ASN A 76 4.842 -1.754 -14.421 1.00 0.00 N ATOM 0 H ASN A 76 2.808 -3.931 -10.054 1.00 0.00 H new ATOM 0 HA ASN A 76 3.969 -3.309 -12.190 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.710 -1.480 -12.939 1.00 0.00 H new ATOM 0 HB3 ASN A 76 3.459 -0.448 -11.736 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.624 -1.616 -15.061 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.099 -2.411 -14.658 1.00 0.00 H new ATOM 1204 N VAL A 77 5.785 -3.933 -10.414 1.00 0.00 N ATOM 1205 CA VAL A 77 6.823 -4.316 -9.375 1.00 0.00 C ATOM 1206 C VAL A 77 7.825 -5.334 -10.004 1.00 0.00 C ATOM 1207 O VAL A 77 7.485 -6.450 -10.361 1.00 0.00 O ATOM 1208 CB VAL A 77 6.244 -5.013 -8.069 1.00 0.00 C ATOM 1209 CG1 VAL A 77 7.276 -5.211 -7.000 1.00 0.00 C ATOM 1210 CG2 VAL A 77 5.134 -4.200 -7.417 1.00 0.00 C ATOM 0 H VAL A 77 5.596 -4.688 -11.073 1.00 0.00 H new ATOM 0 HA VAL A 77 7.280 -3.373 -9.076 1.00 0.00 H new ATOM 0 HB VAL A 77 5.875 -5.972 -8.434 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.817 -5.691 -6.136 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.079 -5.842 -7.382 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.684 -4.244 -6.704 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.774 -4.721 -6.530 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.519 -3.221 -7.132 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.312 -4.075 -8.122 1.00 0.00 H new ATOM 1220 N GLU A 78 8.992 -4.818 -10.117 1.00 0.00 N ATOM 1221 CA GLU A 78 10.226 -5.495 -10.462 1.00 0.00 C ATOM 1222 C GLU A 78 11.112 -5.684 -9.126 1.00 0.00 C ATOM 1223 O GLU A 78 12.060 -6.488 -9.216 1.00 0.00 O ATOM 1224 CB GLU A 78 10.909 -4.838 -11.701 1.00 0.00 C ATOM 1225 CG GLU A 78 11.719 -3.540 -11.505 1.00 0.00 C ATOM 1226 CD GLU A 78 12.281 -2.797 -12.775 1.00 0.00 C ATOM 1227 OE1 GLU A 78 11.673 -2.389 -13.769 1.00 0.00 O ATOM 1228 OE2 GLU A 78 13.589 -2.525 -12.583 1.00 0.00 O ATOM 0 H GLU A 78 9.142 -3.821 -9.960 1.00 0.00 H new ATOM 0 HA GLU A 78 10.048 -6.509 -10.819 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.576 -5.579 -12.141 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.131 -4.633 -12.436 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.088 -2.836 -10.963 1.00 0.00 H new ATOM 0 HG3 GLU A 78 12.565 -3.773 -10.858 1.00 0.00 H new ATOM 1236 N ALA A 79 10.985 -4.867 -7.987 1.00 0.00 N ATOM 1237 CA ALA A 79 12.068 -4.664 -7.028 1.00 0.00 C ATOM 1238 C ALA A 79 11.315 -4.368 -5.683 1.00 0.00 C ATOM 1239 O ALA A 79 10.405 -3.556 -5.597 1.00 0.00 O ATOM 1240 CB ALA A 79 13.060 -3.511 -7.557 1.00 0.00 C ATOM 0 H ALA A 79 10.130 -4.362 -7.754 1.00 0.00 H new ATOM 0 HA ALA A 79 12.738 -5.512 -6.886 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.865 -3.365 -6.837 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.482 -3.806 -8.518 1.00 0.00 H new ATOM 0 HB3 ALA A 79 12.506 -2.580 -7.675 1.00 0.00 H new ATOM 1246 N MET A 80 11.969 -4.795 -4.569 1.00 0.00 N ATOM 1247 CA MET A 80 11.693 -4.446 -3.198 1.00 0.00 C ATOM 1248 C MET A 80 12.176 -2.952 -2.918 1.00 0.00 C ATOM 1249 O MET A 80 13.427 -2.813 -2.812 1.00 0.00 O ATOM 1250 CB MET A 80 12.156 -5.477 -2.236 1.00 0.00 C ATOM 1251 CG MET A 80 11.379 -6.844 -2.355 1.00 0.00 C ATOM 1252 SD MET A 80 9.618 -6.661 -1.933 1.00 0.00 S ATOM 1253 CE MET A 80 8.672 -6.334 -3.356 1.00 0.00 C ATOM 0 H MET A 80 12.757 -5.439 -4.640 1.00 0.00 H new ATOM 0 HA MET A 80 10.616 -4.446 -3.028 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.219 -5.658 -2.394 1.00 0.00 H new ATOM 0 HB3 MET A 80 12.045 -5.092 -1.222 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.471 -7.227 -3.371 1.00 0.00 H new ATOM 0 HG3 MET A 80 11.836 -7.580 -1.694 1.00 0.00 H new ATOM 0 HE1 MET A 80 7.649 -6.674 -3.199 1.00 0.00 H new ATOM 0 HE2 MET A 80 8.672 -5.262 -3.554 1.00 0.00 H new ATOM 0 HE3 MET A 80 9.102 -6.860 -4.208 1.00 0.00 H new ATOM 1263 N PRO A 81 11.395 -2.064 -2.314 1.00 0.00 N ATOM 1264 CA PRO A 81 9.914 -2.098 -2.145 1.00 0.00 C ATOM 1265 C PRO A 81 8.983 -0.859 -2.208 1.00 0.00 C ATOM 1266 O PRO A 81 9.388 0.254 -2.057 1.00 0.00 O ATOM 1267 CB PRO A 81 9.837 -2.702 -0.759 1.00 0.00 C ATOM 1268 CG PRO A 81 10.934 -1.856 -0.030 1.00 0.00 C ATOM 1269 CD PRO A 81 11.798 -1.333 -1.108 1.00 0.00 C ATOM 0 HA PRO A 81 9.515 -2.590 -3.032 1.00 0.00 H new ATOM 0 HB2 PRO A 81 8.852 -2.584 -0.308 1.00 0.00 H new ATOM 0 HB3 PRO A 81 10.063 -3.768 -0.756 1.00 0.00 H new ATOM 0 HG2 PRO A 81 10.488 -1.045 0.546 1.00 0.00 H new ATOM 0 HG3 PRO A 81 11.503 -2.468 0.669 1.00 0.00 H new ATOM 0 HD2 PRO A 81 11.662 -0.259 -1.235 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.852 -1.497 -0.882 1.00 0.00 H new ATOM 1277 N THR A 82 7.844 -1.253 -2.777 1.00 0.00 N ATOM 1278 CA THR A 82 6.994 -0.545 -3.849 1.00 0.00 C ATOM 1279 C THR A 82 5.557 -0.325 -3.325 1.00 0.00 C ATOM 1280 O THR A 82 4.985 -1.170 -2.563 1.00 0.00 O ATOM 1281 CB THR A 82 7.053 -1.179 -5.235 1.00 0.00 C ATOM 1282 OG1 THR A 82 8.377 -1.621 -5.533 1.00 0.00 O ATOM 1283 CG2 THR A 82 6.366 -0.235 -6.436 1.00 0.00 C ATOM 0 H THR A 82 7.421 -2.142 -2.509 1.00 0.00 H new ATOM 0 HA THR A 82 7.447 0.432 -4.017 1.00 0.00 H new ATOM 0 HB THR A 82 6.419 -2.065 -5.212 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.470 -2.565 -5.285 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.445 -0.750 -7.393 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.316 -0.059 -6.204 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.890 0.719 -6.493 1.00 0.00 H new ATOM 1291 N PHE A 83 5.065 0.887 -3.439 1.00 0.00 N ATOM 1292 CA PHE A 83 3.783 1.536 -2.813 1.00 0.00 C ATOM 1293 C PHE A 83 3.140 1.849 -4.208 1.00 0.00 C ATOM 1294 O PHE A 83 3.442 2.775 -4.983 1.00 0.00 O ATOM 1295 CB PHE A 83 4.206 2.804 -1.946 1.00 0.00 C ATOM 1296 CG PHE A 83 5.019 2.495 -0.688 1.00 0.00 C ATOM 1297 CD1 PHE A 83 4.393 1.858 0.388 1.00 0.00 C ATOM 1298 CD2 PHE A 83 6.387 2.842 -0.560 1.00 0.00 C ATOM 1299 CE1 PHE A 83 5.046 1.514 1.529 1.00 0.00 C ATOM 1300 CE2 PHE A 83 7.077 2.485 0.593 1.00 0.00 C ATOM 1301 CZ PHE A 83 6.442 1.786 1.559 1.00 0.00 C ATOM 0 H PHE A 83 5.553 1.569 -4.019 1.00 0.00 H new ATOM 0 HA PHE A 83 3.151 0.990 -2.113 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.786 3.478 -2.577 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.303 3.340 -1.653 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.341 1.629 0.308 1.00 0.00 H new ATOM 0 HD2 PHE A 83 6.889 3.379 -1.351 1.00 0.00 H new ATOM 0 HE1 PHE A 83 4.535 1.060 2.365 1.00 0.00 H new ATOM 0 HE2 PHE A 83 8.113 2.764 0.715 1.00 0.00 H new ATOM 0 HZ PHE A 83 7.021 1.417 2.393 1.00 0.00 H new ATOM 1311 N ILE A 84 1.951 1.243 -4.248 1.00 0.00 N ATOM 1312 CA ILE A 84 1.032 1.261 -5.402 1.00 0.00 C ATOM 1313 C ILE A 84 -0.291 1.908 -4.772 1.00 0.00 C ATOM 1314 O ILE A 84 -0.928 1.485 -3.754 1.00 0.00 O ATOM 1315 CB ILE A 84 0.970 -0.145 -6.061 1.00 0.00 C ATOM 1316 CG1 ILE A 84 2.107 -0.253 -7.131 1.00 0.00 C ATOM 1317 CG2 ILE A 84 -0.460 -0.431 -6.592 1.00 0.00 C ATOM 1318 CD1 ILE A 84 3.015 -1.444 -6.878 1.00 0.00 C ATOM 0 H ILE A 84 1.585 0.710 -3.459 1.00 0.00 H new ATOM 0 HA ILE A 84 1.313 1.855 -6.272 1.00 0.00 H new ATOM 0 HB ILE A 84 1.158 -0.934 -5.332 1.00 0.00 H new ATOM 0 HG12 ILE A 84 1.664 -0.339 -8.123 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.699 0.662 -7.125 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.487 -1.419 -7.051 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.169 -0.395 -5.765 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.730 0.321 -7.334 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.789 -1.480 -7.644 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.480 -1.345 -5.897 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.429 -2.362 -6.911 1.00 0.00 H new ATOM 1330 N PHE A 85 -0.843 2.786 -5.551 1.00 0.00 N ATOM 1331 CA PHE A 85 -1.747 3.860 -5.218 1.00 0.00 C ATOM 1332 C PHE A 85 -2.930 3.588 -6.167 1.00 0.00 C ATOM 1333 O PHE A 85 -2.783 3.597 -7.408 1.00 0.00 O ATOM 1334 CB PHE A 85 -1.243 5.300 -5.462 1.00 0.00 C ATOM 1335 CG PHE A 85 -0.269 5.793 -4.350 1.00 0.00 C ATOM 1336 CD1 PHE A 85 1.123 5.352 -4.251 1.00 0.00 C ATOM 1337 CD2 PHE A 85 -0.774 6.751 -3.419 1.00 0.00 C ATOM 1338 CE1 PHE A 85 1.859 5.708 -3.103 1.00 0.00 C ATOM 1339 CE2 PHE A 85 -0.001 7.145 -2.336 1.00 0.00 C ATOM 1340 CZ PHE A 85 1.253 6.538 -2.191 1.00 0.00 C ATOM 0 H PHE A 85 -0.653 2.771 -6.553 1.00 0.00 H new ATOM 0 HA PHE A 85 -1.944 3.848 -4.146 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.739 5.345 -6.427 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.097 5.975 -5.517 1.00 0.00 H new ATOM 0 HD1 PHE A 85 1.575 4.768 -5.039 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.760 7.170 -3.558 1.00 0.00 H new ATOM 0 HE1 PHE A 85 2.863 5.342 -2.946 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.351 7.888 -1.635 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.793 6.741 -1.278 1.00 0.00 H new ATOM 1350 N LEU A 86 -3.971 2.987 -5.571 1.00 0.00 N ATOM 1351 CA LEU A 86 -5.169 2.471 -6.228 1.00 0.00 C ATOM 1352 C LEU A 86 -6.321 3.154 -5.340 1.00 0.00 C ATOM 1353 O LEU A 86 -6.520 2.997 -4.159 1.00 0.00 O ATOM 1354 CB LEU A 86 -5.045 0.886 -6.121 1.00 0.00 C ATOM 1355 CG LEU A 86 -5.867 -0.145 -6.911 1.00 0.00 C ATOM 1356 CD1 LEU A 86 -7.319 0.270 -7.296 1.00 0.00 C ATOM 1357 CD2 LEU A 86 -5.038 -0.894 -7.948 1.00 0.00 C ATOM 0 H LEU A 86 -3.995 2.843 -4.562 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.348 2.684 -7.282 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.002 0.658 -6.339 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.210 0.649 -5.070 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.123 -0.922 -6.190 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.794 -0.540 -7.849 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.891 0.476 -6.391 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.289 1.165 -7.917 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.672 -1.608 -8.474 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.621 -0.184 -8.662 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.227 -1.426 -7.450 1.00 0.00 H new ATOM 1369 N LYS A 87 -7.144 3.897 -6.045 1.00 0.00 N ATOM 1370 CA LYS A 87 -8.313 4.621 -5.557 1.00 0.00 C ATOM 1371 C LYS A 87 -9.593 3.844 -6.182 1.00 0.00 C ATOM 1372 O LYS A 87 -9.526 2.877 -6.977 1.00 0.00 O ATOM 1373 CB LYS A 87 -7.988 6.105 -6.077 1.00 0.00 C ATOM 1374 CG LYS A 87 -8.746 7.310 -5.390 1.00 0.00 C ATOM 1375 CD LYS A 87 -8.173 8.720 -5.491 1.00 0.00 C ATOM 1376 CE LYS A 87 -9.338 9.717 -5.297 1.00 0.00 C ATOM 1377 NZ LYS A 87 -9.903 9.692 -3.904 1.00 0.00 N ATOM 0 H LYS A 87 -7.011 4.025 -7.048 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.532 4.673 -4.491 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.917 6.273 -5.961 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.202 6.140 -7.145 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.754 7.338 -5.803 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.842 7.073 -4.330 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.406 8.876 -4.732 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.698 8.871 -6.460 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.989 10.724 -5.524 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.130 9.486 -6.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.680 10.380 -3.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.263 8.739 -3.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.157 9.940 -3.223 1.00 0.00 H new ATOM 1390 N ASP A 88 -10.730 4.474 -5.865 1.00 0.00 N ATOM 1391 CA ASP A 88 -11.913 4.385 -6.713 1.00 0.00 C ATOM 1392 C ASP A 88 -11.768 5.020 -8.150 1.00 0.00 C ATOM 1393 O ASP A 88 -12.565 5.853 -8.594 1.00 0.00 O ATOM 1394 CB ASP A 88 -13.076 4.983 -5.836 1.00 0.00 C ATOM 1395 CG ASP A 88 -13.174 6.477 -5.514 1.00 0.00 C ATOM 1396 OD1 ASP A 88 -14.009 7.182 -6.070 1.00 0.00 O ATOM 1397 OD2 ASP A 88 -12.354 6.886 -4.588 1.00 0.00 O ATOM 0 H ASP A 88 -10.851 5.047 -5.030 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.115 3.351 -6.992 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.010 4.707 -6.325 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.049 4.458 -4.881 1.00 0.00 H new ATOM 1403 N GLY A 89 -10.784 4.568 -9.007 1.00 0.00 N ATOM 1404 CA GLY A 89 -10.641 5.019 -10.366 1.00 0.00 C ATOM 1405 C GLY A 89 -9.523 4.173 -11.047 1.00 0.00 C ATOM 1406 O GLY A 89 -8.707 4.763 -11.756 1.00 0.00 O ATOM 0 H GLY A 89 -10.085 3.877 -8.733 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.582 4.908 -10.904 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.384 6.078 -10.390 1.00 0.00 H new ATOM 1410 N LYS A 90 -9.368 2.827 -10.809 1.00 0.00 N ATOM 1411 CA LYS A 90 -8.109 2.000 -11.047 1.00 0.00 C ATOM 1412 C LYS A 90 -6.661 2.475 -10.526 1.00 0.00 C ATOM 1413 O LYS A 90 -6.585 3.402 -9.670 1.00 0.00 O ATOM 1414 CB LYS A 90 -8.283 1.446 -12.482 1.00 0.00 C ATOM 1415 CG LYS A 90 -7.924 -0.048 -12.761 1.00 0.00 C ATOM 1416 CD LYS A 90 -8.571 -0.773 -13.936 1.00 0.00 C ATOM 1417 CE LYS A 90 -9.912 -1.487 -13.740 1.00 0.00 C ATOM 1418 NZ LYS A 90 -10.452 -2.057 -15.045 1.00 0.00 N ATOM 0 H LYS A 90 -10.131 2.263 -10.436 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.044 1.205 -10.305 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.324 1.594 -12.769 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.678 2.061 -13.149 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.844 -0.103 -12.899 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.160 -0.614 -11.859 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.704 -0.044 -14.736 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.857 -1.514 -14.295 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.791 -2.292 -13.015 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.637 -0.788 -13.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -11.360 -2.531 -14.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.592 -1.286 -15.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.773 -2.743 -15.431 1.00 0.00 H new ATOM 1431 N LEU A 91 -5.531 1.925 -11.039 1.00 0.00 N ATOM 1432 CA LEU A 91 -4.079 2.250 -10.810 1.00 0.00 C ATOM 1433 C LEU A 91 -3.827 3.733 -11.243 1.00 0.00 C ATOM 1434 O LEU A 91 -3.768 4.026 -12.434 1.00 0.00 O ATOM 1435 CB LEU A 91 -3.303 1.275 -11.784 1.00 0.00 C ATOM 1436 CG LEU A 91 -1.747 1.380 -11.605 1.00 0.00 C ATOM 1437 CD1 LEU A 91 -1.187 1.093 -10.220 1.00 0.00 C ATOM 1438 CD2 LEU A 91 -1.054 0.478 -12.656 1.00 0.00 C ATOM 0 H LEU A 91 -5.613 1.153 -11.701 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.768 2.136 -9.772 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.621 0.249 -11.599 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.566 1.509 -12.816 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.525 2.437 -11.754 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.102 1.201 -10.237 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.611 1.796 -9.503 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.446 0.076 -9.926 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.027 0.546 -12.538 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.370 -0.555 -12.514 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.331 0.808 -13.657 1.00 0.00 H new ATOM 1450 N VAL A 92 -3.812 4.579 -10.267 1.00 0.00 N ATOM 1451 CA VAL A 92 -3.374 6.059 -10.230 1.00 0.00 C ATOM 1452 C VAL A 92 -1.809 6.177 -10.212 1.00 0.00 C ATOM 1453 O VAL A 92 -1.437 6.987 -11.094 1.00 0.00 O ATOM 1454 CB VAL A 92 -4.210 6.937 -9.208 1.00 0.00 C ATOM 1455 CG1 VAL A 92 -5.644 7.115 -9.712 1.00 0.00 C ATOM 1456 CG2 VAL A 92 -4.151 6.526 -7.733 1.00 0.00 C ATOM 0 H VAL A 92 -4.129 4.283 -9.344 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.649 6.547 -11.165 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.702 7.902 -9.193 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.207 7.720 -9.001 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.630 7.614 -10.681 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.118 6.139 -9.813 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.764 7.206 -7.141 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.527 5.509 -7.623 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.119 6.571 -7.384 1.00 0.00 H new ATOM 1466 N ASP A 93 -0.924 5.543 -9.377 1.00 0.00 N ATOM 1467 CA ASP A 93 0.521 5.837 -9.413 1.00 0.00 C ATOM 1468 C ASP A 93 1.389 4.839 -8.463 1.00 0.00 C ATOM 1469 O ASP A 93 0.819 4.054 -7.723 1.00 0.00 O ATOM 1470 CB ASP A 93 0.873 7.349 -9.150 1.00 0.00 C ATOM 1471 CG ASP A 93 1.716 8.134 -10.182 1.00 0.00 C ATOM 1472 OD1 ASP A 93 2.977 8.011 -10.264 1.00 0.00 O ATOM 1473 OD2 ASP A 93 0.962 8.813 -11.088 1.00 0.00 O ATOM 0 H ASP A 93 -1.194 4.841 -8.689 1.00 0.00 H new ATOM 0 HA ASP A 93 0.818 5.640 -10.443 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.068 7.885 -9.024 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.398 7.399 -8.196 1.00 0.00 H new ATOM 1479 N LYS A 94 2.681 4.904 -8.671 1.00 0.00 N ATOM 1480 CA LYS A 94 3.718 3.987 -8.060 1.00 0.00 C ATOM 1481 C LYS A 94 5.079 4.736 -7.824 1.00 0.00 C ATOM 1482 O LYS A 94 5.580 5.651 -8.456 1.00 0.00 O ATOM 1483 CB LYS A 94 3.925 2.692 -8.773 1.00 0.00 C ATOM 1484 CG LYS A 94 4.305 2.621 -10.312 1.00 0.00 C ATOM 1485 CD LYS A 94 3.608 3.342 -11.492 1.00 0.00 C ATOM 1486 CE LYS A 94 2.196 2.955 -11.756 1.00 0.00 C ATOM 1487 NZ LYS A 94 1.712 3.526 -13.048 1.00 0.00 N ATOM 0 H LYS A 94 3.094 5.607 -9.285 1.00 0.00 H new ATOM 0 HA LYS A 94 3.297 3.703 -7.096 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.708 2.160 -8.233 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.007 2.118 -8.651 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.349 2.931 -10.364 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.274 1.561 -10.566 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.640 4.415 -11.305 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.188 3.159 -12.396 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.113 1.868 -11.782 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.562 3.304 -10.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.725 3.240 -13.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.770 4.564 -13.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.304 3.173 -13.827 1.00 0.00 H new ATOM 1500 N THR A 95 5.785 4.202 -6.783 1.00 0.00 N ATOM 1501 CA THR A 95 7.032 4.670 -6.207 1.00 0.00 C ATOM 1502 C THR A 95 7.680 3.462 -5.472 1.00 0.00 C ATOM 1503 O THR A 95 7.240 3.094 -4.353 1.00 0.00 O ATOM 1504 CB THR A 95 6.880 5.832 -5.228 1.00 0.00 C ATOM 1505 OG1 THR A 95 6.076 6.836 -5.767 1.00 0.00 O ATOM 1506 CG2 THR A 95 8.222 6.476 -4.864 1.00 0.00 C ATOM 0 H THR A 95 5.448 3.367 -6.304 1.00 0.00 H new ATOM 0 HA THR A 95 7.648 5.054 -7.021 1.00 0.00 H new ATOM 0 HB THR A 95 6.429 5.403 -4.334 1.00 0.00 H new ATOM 0 HG1 THR A 95 6.448 7.713 -5.535 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.055 7.296 -4.166 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.869 5.731 -4.401 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.698 6.859 -5.766 1.00 0.00 H new ATOM 1514 N VAL A 96 8.607 2.831 -6.140 1.00 0.00 N ATOM 1515 CA VAL A 96 9.567 1.915 -5.578 1.00 0.00 C ATOM 1516 C VAL A 96 10.654 2.836 -4.790 1.00 0.00 C ATOM 1517 O VAL A 96 11.448 3.448 -5.481 1.00 0.00 O ATOM 1518 CB VAL A 96 10.095 0.937 -6.729 1.00 0.00 C ATOM 1519 CG1 VAL A 96 10.125 1.461 -8.122 1.00 0.00 C ATOM 1520 CG2 VAL A 96 11.288 -0.028 -6.319 1.00 0.00 C ATOM 0 H VAL A 96 8.720 2.948 -7.147 1.00 0.00 H new ATOM 0 HA VAL A 96 9.175 1.217 -4.838 1.00 0.00 H new ATOM 0 HB VAL A 96 9.249 0.255 -6.809 1.00 0.00 H new ATOM 0 HG11 VAL A 96 10.504 0.690 -8.793 1.00 0.00 H new ATOM 0 HG12 VAL A 96 9.117 1.743 -8.426 1.00 0.00 H new ATOM 0 HG13 VAL A 96 10.776 2.334 -8.168 1.00 0.00 H new ATOM 0 HG21 VAL A 96 11.566 -0.646 -7.173 1.00 0.00 H new ATOM 0 HG22 VAL A 96 12.146 0.567 -6.006 1.00 0.00 H new ATOM 0 HG23 VAL A 96 10.971 -0.668 -5.496 1.00 0.00 H new ATOM 1530 N GLY A 97 10.526 2.941 -3.473 1.00 0.00 N ATOM 1531 CA GLY A 97 11.574 3.428 -2.648 1.00 0.00 C ATOM 1532 C GLY A 97 11.089 3.829 -1.220 1.00 0.00 C ATOM 1533 O GLY A 97 10.487 4.940 -1.171 1.00 0.00 O ATOM 0 H GLY A 97 9.680 2.684 -2.965 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.346 2.664 -2.562 1.00 0.00 H new ATOM 0 HA3 GLY A 97 12.033 4.293 -3.126 1.00 0.00 H new ATOM 1537 N ALA A 98 11.256 3.010 -0.230 1.00 0.00 N ATOM 1538 CA ALA A 98 11.140 3.296 1.210 1.00 0.00 C ATOM 1539 C ALA A 98 11.932 4.529 1.768 1.00 0.00 C ATOM 1540 O ALA A 98 13.177 4.416 1.735 1.00 0.00 O ATOM 1541 CB ALA A 98 11.519 2.063 1.990 1.00 0.00 C ATOM 0 H ALA A 98 11.499 2.034 -0.397 1.00 0.00 H new ATOM 0 HA ALA A 98 10.095 3.578 1.341 1.00 0.00 H new ATOM 0 HB1 ALA A 98 11.435 2.268 3.057 1.00 0.00 H new ATOM 0 HB2 ALA A 98 10.850 1.244 1.724 1.00 0.00 H new ATOM 0 HB3 ALA A 98 12.546 1.784 1.753 1.00 0.00 H new ATOM 1547 N ASP A 99 11.221 5.609 2.295 1.00 0.00 N ATOM 1548 CA ASP A 99 11.881 6.881 2.667 1.00 0.00 C ATOM 1549 C ASP A 99 10.864 7.597 3.663 1.00 0.00 C ATOM 1550 O ASP A 99 9.717 7.898 3.296 1.00 0.00 O ATOM 1551 CB ASP A 99 12.293 7.815 1.462 1.00 0.00 C ATOM 1552 CG ASP A 99 13.153 8.965 1.969 1.00 0.00 C ATOM 1553 OD1 ASP A 99 12.721 10.114 2.131 1.00 0.00 O ATOM 1554 OD2 ASP A 99 14.432 8.574 2.357 1.00 0.00 O ATOM 0 H ASP A 99 10.214 5.598 2.458 1.00 0.00 H new ATOM 0 HA ASP A 99 12.847 6.668 3.124 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.842 7.240 0.716 1.00 0.00 H new ATOM 0 HB3 ASP A 99 11.401 8.205 0.971 1.00 0.00 H new ATOM 1560 N LYS A 100 11.255 7.760 4.882 1.00 0.00 N ATOM 1561 CA LYS A 100 10.529 8.283 6.055 1.00 0.00 C ATOM 1562 C LYS A 100 9.721 9.599 6.001 1.00 0.00 C ATOM 1563 O LYS A 100 8.523 9.622 6.409 1.00 0.00 O ATOM 1564 CB LYS A 100 11.416 8.352 7.344 1.00 0.00 C ATOM 1565 CG LYS A 100 12.741 9.088 7.294 1.00 0.00 C ATOM 1566 CD LYS A 100 13.372 9.079 8.642 1.00 0.00 C ATOM 1567 CE LYS A 100 14.600 9.938 8.771 1.00 0.00 C ATOM 1568 NZ LYS A 100 15.140 9.941 10.158 1.00 0.00 N ATOM 0 H LYS A 100 12.208 7.506 5.141 1.00 0.00 H new ATOM 0 HA LYS A 100 9.762 7.508 6.065 1.00 0.00 H new ATOM 0 HB2 LYS A 100 10.816 8.810 8.130 1.00 0.00 H new ATOM 0 HB3 LYS A 100 11.622 7.328 7.656 1.00 0.00 H new ATOM 0 HG2 LYS A 100 13.403 8.615 6.569 1.00 0.00 H new ATOM 0 HG3 LYS A 100 12.585 10.114 6.962 1.00 0.00 H new ATOM 0 HD2 LYS A 100 12.636 9.410 9.374 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.636 8.053 8.897 1.00 0.00 H new ATOM 0 HE2 LYS A 100 15.367 9.578 8.085 1.00 0.00 H new ATOM 0 HE3 LYS A 100 14.360 10.959 8.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 15.985 10.545 10.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 14.419 10.309 10.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 15.394 8.971 10.434 1.00 0.00 H new ATOM 1581 N ASP A 101 10.321 10.647 5.396 1.00 0.00 N ATOM 1582 CA ASP A 101 9.671 11.948 4.985 1.00 0.00 C ATOM 1583 C ASP A 101 8.857 11.759 3.606 1.00 0.00 C ATOM 1584 O ASP A 101 7.735 12.217 3.503 1.00 0.00 O ATOM 1585 CB ASP A 101 10.596 13.144 5.138 1.00 0.00 C ATOM 1586 CG ASP A 101 11.706 13.265 4.129 1.00 0.00 C ATOM 1587 OD1 ASP A 101 12.836 12.757 4.263 1.00 0.00 O ATOM 1588 OD2 ASP A 101 11.311 13.952 3.003 1.00 0.00 O ATOM 0 H ASP A 101 11.314 10.627 5.163 1.00 0.00 H new ATOM 0 HA ASP A 101 8.889 12.228 5.691 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.993 14.051 5.092 1.00 0.00 H new ATOM 0 HB3 ASP A 101 11.041 13.107 6.132 1.00 0.00 H new ATOM 1594 N GLY A 102 9.519 11.142 2.560 1.00 0.00 N ATOM 1595 CA GLY A 102 8.928 10.787 1.219 1.00 0.00 C ATOM 1596 C GLY A 102 7.614 10.127 1.025 1.00 0.00 C ATOM 1597 O GLY A 102 6.752 10.681 0.346 1.00 0.00 O ATOM 0 H GLY A 102 10.500 10.874 2.633 1.00 0.00 H new ATOM 0 HA2 GLY A 102 8.884 11.718 0.653 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.661 10.149 0.726 1.00 0.00 H new ATOM 1601 N LEU A 103 7.450 8.950 1.637 1.00 0.00 N ATOM 1602 CA LEU A 103 6.108 8.334 1.732 1.00 0.00 C ATOM 1603 C LEU A 103 4.902 9.181 2.272 1.00 0.00 C ATOM 1604 O LEU A 103 3.957 9.317 1.458 1.00 0.00 O ATOM 1605 CB LEU A 103 6.410 6.946 2.486 1.00 0.00 C ATOM 1606 CG LEU A 103 5.244 5.989 2.781 1.00 0.00 C ATOM 1607 CD1 LEU A 103 4.465 5.553 1.532 1.00 0.00 C ATOM 1608 CD2 LEU A 103 5.753 4.714 3.492 1.00 0.00 C ATOM 0 H LEU A 103 8.202 8.411 2.066 1.00 0.00 H new ATOM 0 HA LEU A 103 5.675 8.211 0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.141 6.400 1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.888 7.185 3.436 1.00 0.00 H new ATOM 0 HG LEU A 103 4.566 6.557 3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.659 4.879 1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.045 6.431 1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.137 5.039 0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.913 4.049 3.692 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.475 4.205 2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.231 4.988 4.432 1.00 0.00 H new ATOM 1620 N PRO A 104 4.825 9.828 3.459 1.00 0.00 N ATOM 1621 CA PRO A 104 3.858 10.906 3.795 1.00 0.00 C ATOM 1622 C PRO A 104 3.707 12.198 2.917 1.00 0.00 C ATOM 1623 O PRO A 104 2.597 12.754 2.810 1.00 0.00 O ATOM 1624 CB PRO A 104 4.372 11.350 5.191 1.00 0.00 C ATOM 1625 CG PRO A 104 5.104 10.220 5.843 1.00 0.00 C ATOM 1626 CD PRO A 104 5.772 9.576 4.595 1.00 0.00 C ATOM 0 HA PRO A 104 2.865 10.475 3.667 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.031 12.212 5.089 1.00 0.00 H new ATOM 0 HB3 PRO A 104 3.534 11.661 5.815 1.00 0.00 H new ATOM 0 HG2 PRO A 104 5.834 10.564 6.576 1.00 0.00 H new ATOM 0 HG3 PRO A 104 4.434 9.532 6.359 1.00 0.00 H new ATOM 0 HD2 PRO A 104 6.748 10.021 4.399 1.00 0.00 H new ATOM 0 HD3 PRO A 104 5.932 8.508 4.743 1.00 0.00 H new ATOM 1634 N THR A 105 4.786 12.659 2.197 1.00 0.00 N ATOM 1635 CA THR A 105 4.727 13.619 1.021 1.00 0.00 C ATOM 1636 C THR A 105 3.762 13.185 -0.129 1.00 0.00 C ATOM 1637 O THR A 105 2.833 13.942 -0.506 1.00 0.00 O ATOM 1638 CB THR A 105 6.200 13.955 0.539 1.00 0.00 C ATOM 1639 OG1 THR A 105 6.881 14.648 1.618 1.00 0.00 O ATOM 1640 CG2 THR A 105 6.240 14.827 -0.785 1.00 0.00 C ATOM 0 H THR A 105 5.740 12.372 2.417 1.00 0.00 H new ATOM 0 HA THR A 105 4.264 14.541 1.372 1.00 0.00 H new ATOM 0 HB THR A 105 6.700 13.018 0.295 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.182 13.997 2.286 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.276 15.022 -1.061 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.745 14.286 -1.592 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.726 15.773 -0.613 1.00 0.00 H new ATOM 1648 N LEU A 106 4.007 12.007 -0.667 1.00 0.00 N ATOM 1649 CA LEU A 106 3.250 11.256 -1.653 1.00 0.00 C ATOM 1650 C LEU A 106 1.754 10.876 -1.399 1.00 0.00 C ATOM 1651 O LEU A 106 0.874 11.234 -2.170 1.00 0.00 O ATOM 1652 CB LEU A 106 4.212 10.216 -2.174 1.00 0.00 C ATOM 1653 CG LEU A 106 3.679 9.197 -3.210 1.00 0.00 C ATOM 1654 CD1 LEU A 106 3.315 9.719 -4.559 1.00 0.00 C ATOM 1655 CD2 LEU A 106 4.641 7.983 -3.294 1.00 0.00 C ATOM 0 H LEU A 106 4.842 11.490 -0.391 1.00 0.00 H new ATOM 0 HA LEU A 106 2.925 11.923 -2.451 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.059 10.737 -2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.596 9.657 -1.321 1.00 0.00 H new ATOM 0 HG LEU A 106 2.708 8.893 -2.820 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.958 8.899 -5.182 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.530 10.468 -4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.192 10.172 -5.023 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.262 7.268 -4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.631 8.323 -3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.707 7.503 -2.318 1.00 0.00 H new ATOM 1667 N VAL A 107 1.480 10.357 -0.184 1.00 0.00 N ATOM 1668 CA VAL A 107 0.148 10.239 0.447 1.00 0.00 C ATOM 1669 C VAL A 107 -0.643 11.568 0.677 1.00 0.00 C ATOM 1670 O VAL A 107 -1.805 11.656 0.372 1.00 0.00 O ATOM 1671 CB VAL A 107 0.135 9.380 1.693 1.00 0.00 C ATOM 1672 CG1 VAL A 107 -1.152 9.480 2.598 1.00 0.00 C ATOM 1673 CG2 VAL A 107 0.250 7.932 1.237 1.00 0.00 C ATOM 0 H VAL A 107 2.220 9.990 0.415 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.407 9.719 -0.334 1.00 0.00 H new ATOM 0 HB VAL A 107 0.958 9.740 2.310 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.044 8.820 3.459 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.276 10.507 2.941 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.027 9.182 2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.245 7.275 2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.593 7.686 0.591 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.181 7.797 0.686 1.00 0.00 H new ATOM 1683 N ALA A 108 -0.004 12.648 1.140 1.00 0.00 N ATOM 1684 CA ALA A 108 -0.541 14.062 1.316 1.00 0.00 C ATOM 1685 C ALA A 108 -1.051 14.720 -0.055 1.00 0.00 C ATOM 1686 O ALA A 108 -2.170 15.233 -0.211 1.00 0.00 O ATOM 1687 CB ALA A 108 0.568 14.960 1.854 1.00 0.00 C ATOM 0 H ALA A 108 0.972 12.586 1.430 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.386 13.984 2.001 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.186 15.973 1.981 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.911 14.578 2.816 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.400 14.971 1.150 1.00 0.00 H new ATOM 1693 N LYS A 109 -0.136 14.680 -1.009 1.00 0.00 N ATOM 1694 CA LYS A 109 -0.412 14.894 -2.449 1.00 0.00 C ATOM 1695 C LYS A 109 -1.479 14.083 -3.204 1.00 0.00 C ATOM 1696 O LYS A 109 -2.271 14.720 -3.931 1.00 0.00 O ATOM 1697 CB LYS A 109 0.967 14.784 -3.222 1.00 0.00 C ATOM 1698 CG LYS A 109 1.965 15.899 -2.783 1.00 0.00 C ATOM 1699 CD LYS A 109 3.377 15.758 -3.420 1.00 0.00 C ATOM 1700 CE LYS A 109 4.092 17.106 -3.469 1.00 0.00 C ATOM 1701 NZ LYS A 109 5.487 17.065 -3.851 1.00 0.00 N ATOM 0 H LYS A 109 0.848 14.494 -0.815 1.00 0.00 H new ATOM 0 HA LYS A 109 -0.891 15.873 -2.440 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.410 13.806 -3.038 1.00 0.00 H new ATOM 0 HB3 LYS A 109 0.789 14.856 -4.295 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.551 16.871 -3.050 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.062 15.881 -1.697 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.971 15.048 -2.844 1.00 0.00 H new ATOM 0 HD3 LYS A 109 3.286 15.353 -4.428 1.00 0.00 H new ATOM 0 HE2 LYS A 109 3.562 17.752 -4.169 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.017 17.572 -2.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 5.875 18.030 -3.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 6.016 16.480 -3.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 5.574 16.655 -4.803 1.00 0.00 H new ATOM 1714 N HIS A 110 -1.466 12.686 -3.080 1.00 0.00 N ATOM 1715 CA HIS A 110 -2.673 11.845 -3.429 1.00 0.00 C ATOM 1716 C HIS A 110 -4.038 12.166 -2.714 1.00 0.00 C ATOM 1717 O HIS A 110 -5.018 12.343 -3.477 1.00 0.00 O ATOM 1718 CB HIS A 110 -2.243 10.390 -3.325 1.00 0.00 C ATOM 1719 CG HIS A 110 -1.740 9.792 -4.636 1.00 0.00 C ATOM 1720 ND1 HIS A 110 -0.399 9.633 -4.840 1.00 0.00 N flip ATOM 1721 CD2 HIS A 110 -2.464 9.273 -5.737 1.00 0.00 C flip ATOM 1722 CE1 HIS A 110 -0.111 9.066 -5.989 1.00 0.00 C flip ATOM 1723 NE2 HIS A 110 -1.371 8.957 -6.489 1.00 0.00 N flip ATOM 0 H HIS A 110 -0.661 12.151 -2.754 1.00 0.00 H new ATOM 0 HA HIS A 110 -2.962 12.110 -4.446 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -1.456 10.308 -2.575 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -3.086 9.798 -2.968 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -3.523 9.164 -5.919 1.00 0.00 H new ATOM 0 HE1 HIS A 110 0.840 8.774 -6.410 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -1.501 8.632 -7.447 1.00 0.00 H new ATOM 1731 N ALA A 111 -4.053 12.219 -1.386 1.00 0.00 N ATOM 1732 CA ALA A 111 -5.255 12.676 -0.595 1.00 0.00 C ATOM 1733 C ALA A 111 -5.942 13.945 -1.090 1.00 0.00 C ATOM 1734 O ALA A 111 -7.140 13.974 -1.205 1.00 0.00 O ATOM 1735 CB ALA A 111 -4.836 12.729 0.902 1.00 0.00 C ATOM 0 H ALA A 111 -3.256 11.956 -0.807 1.00 0.00 H new ATOM 0 HA ALA A 111 -6.052 11.947 -0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.683 13.056 1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -4.521 11.737 1.227 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -4.011 13.430 1.024 1.00 0.00 H new ATOM 1741 N THR A 112 -5.196 15.044 -1.359 1.00 0.00 N ATOM 1742 CA THR A 112 -5.695 16.256 -2.031 1.00 0.00 C ATOM 1743 C THR A 112 -6.356 16.053 -3.401 1.00 0.00 C ATOM 1744 O THR A 112 -7.574 16.271 -3.569 1.00 0.00 O ATOM 1745 CB THR A 112 -4.570 17.324 -2.036 1.00 0.00 C ATOM 1746 OG1 THR A 112 -4.097 17.494 -0.702 1.00 0.00 O ATOM 1747 CG2 THR A 112 -5.099 18.702 -2.540 1.00 0.00 C ATOM 0 H THR A 112 -4.210 15.108 -1.107 1.00 0.00 H new ATOM 0 HA THR A 112 -6.541 16.612 -1.443 1.00 0.00 H new ATOM 0 HB THR A 112 -3.777 16.984 -2.702 1.00 0.00 H new ATOM 0 HG1 THR A 112 -3.404 16.827 -0.513 1.00 0.00 H new ATOM 0 HG21 THR A 112 -4.287 19.429 -2.532 1.00 0.00 H new ATOM 0 HG22 THR A 112 -5.481 18.596 -3.556 1.00 0.00 H new ATOM 0 HG23 THR A 112 -5.900 19.046 -1.886 1.00 0.00 H new ATOM 1755 N ALA A 113 -5.551 15.602 -4.360 1.00 0.00 N ATOM 1756 CA ALA A 113 -5.962 15.226 -5.732 1.00 0.00 C ATOM 1757 C ALA A 113 -7.213 14.377 -5.976 1.00 0.00 C ATOM 1758 O ALA A 113 -7.119 13.147 -6.147 1.00 0.00 O ATOM 1759 CB ALA A 113 -4.717 14.679 -6.443 1.00 0.00 C ATOM 1760 OXT ALA A 113 -8.393 15.041 -6.031 1.00 0.00 O ATOM 0 H ALA A 113 -4.550 15.479 -4.207 1.00 0.00 H new ATOM 0 HA ALA A 113 -6.345 16.152 -6.160 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -4.977 14.389 -7.461 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -3.946 15.449 -6.471 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.342 13.810 -5.903 1.00 0.00 H new TER 1767 ALA A 113