USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 654 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 139:sc= 0.0328 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0361 USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 7 GLN : amide:sc= -1.04 K(o=-1,f=-5.4!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -134:sc= -1.15! (180deg=-2.38!) USER MOD Single : A 28 MET CE :methyl 162:sc= -2.87! (180deg=-3.36!) USER MOD Single : A 38 SER OG : rot 63:sc= 0.26 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0297 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.185 K(o=-0.19,f=-0.92) USER MOD Single : A 52 ASN : amide:sc= -0.0298 K(o=-0.03,f=-0.72) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00239 USER MOD Single : A 81 MET CE :methyl -161:sc= -1.48! (180deg=-1.89) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 MET CE :methyl -178:sc= -4.96 (180deg=-5.07) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -24.024 11.176 -16.565 1.00 0.00 N ATOM 2 CA ALA A 1 -22.853 10.302 -16.788 1.00 0.00 C ATOM 3 C ALA A 1 -22.810 9.194 -15.701 1.00 0.00 C ATOM 4 O ALA A 1 -23.201 9.420 -14.551 1.00 0.00 O ATOM 5 CB ALA A 1 -21.565 11.145 -16.799 1.00 0.00 C ATOM 0 H1 ALA A 1 -23.754 12.167 -16.728 1.00 0.00 H new ATOM 0 H2 ALA A 1 -24.785 10.912 -17.223 1.00 0.00 H new ATOM 0 H3 ALA A 1 -24.359 11.065 -15.587 1.00 0.00 H new ATOM 0 HA ALA A 1 -22.936 9.813 -17.758 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -20.706 10.495 -16.964 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -21.620 11.883 -17.599 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -21.456 11.655 -15.842 1.00 0.00 H new ATOM 13 N SER A 2 -22.301 8.007 -16.082 1.00 0.00 N ATOM 14 CA SER A 2 -22.162 6.850 -15.159 1.00 0.00 C ATOM 15 C SER A 2 -20.825 6.111 -15.439 1.00 0.00 C ATOM 16 O SER A 2 -20.781 4.876 -15.475 1.00 0.00 O ATOM 17 CB SER A 2 -23.390 5.922 -15.309 1.00 0.00 C ATOM 18 OG SER A 2 -24.496 6.611 -15.883 1.00 0.00 O ATOM 0 H SER A 2 -21.975 7.817 -17.030 1.00 0.00 H new ATOM 0 HA SER A 2 -22.131 7.193 -14.125 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.128 5.068 -15.933 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.672 5.529 -14.332 1.00 0.00 H new ATOM 0 HG SER A 2 -25.256 5.998 -15.966 1.00 0.00 H new ATOM 24 N MET A 3 -19.745 6.889 -15.640 1.00 0.00 N ATOM 25 CA MET A 3 -18.386 6.342 -15.896 1.00 0.00 C ATOM 26 C MET A 3 -17.713 5.987 -14.542 1.00 0.00 C ATOM 27 O MET A 3 -18.184 6.398 -13.475 1.00 0.00 O ATOM 28 CB MET A 3 -17.555 7.365 -16.718 1.00 0.00 C ATOM 29 CG MET A 3 -17.768 7.325 -18.244 1.00 0.00 C ATOM 30 SD MET A 3 -16.352 6.569 -19.077 1.00 0.00 S ATOM 31 CE MET A 3 -16.436 7.334 -20.709 1.00 0.00 C ATOM 0 H MET A 3 -19.782 7.908 -15.631 1.00 0.00 H new ATOM 0 HA MET A 3 -18.448 5.428 -16.486 1.00 0.00 H new ATOM 0 HB2 MET A 3 -17.792 8.368 -16.362 1.00 0.00 H new ATOM 0 HB3 MET A 3 -16.498 7.196 -16.512 1.00 0.00 H new ATOM 0 HG2 MET A 3 -18.673 6.762 -18.474 1.00 0.00 H new ATOM 0 HG3 MET A 3 -17.918 8.337 -18.620 1.00 0.00 H new ATOM 0 HE1 MET A 3 -15.621 6.959 -21.329 1.00 0.00 H new ATOM 0 HE2 MET A 3 -17.390 7.090 -21.177 1.00 0.00 H new ATOM 0 HE3 MET A 3 -16.348 8.416 -20.609 1.00 0.00 H new ATOM 41 N THR A 4 -16.623 5.201 -14.608 1.00 0.00 N ATOM 42 CA THR A 4 -15.855 4.768 -13.410 1.00 0.00 C ATOM 43 C THR A 4 -15.060 5.963 -12.818 1.00 0.00 C ATOM 44 O THR A 4 -13.957 6.283 -13.286 1.00 0.00 O ATOM 45 CB THR A 4 -14.992 3.507 -13.723 1.00 0.00 C ATOM 46 OG1 THR A 4 -15.536 2.836 -14.856 1.00 0.00 O ATOM 47 CG2 THR A 4 -14.811 2.467 -12.599 1.00 0.00 C ATOM 0 H THR A 4 -16.245 4.845 -15.486 1.00 0.00 H new ATOM 0 HA THR A 4 -16.544 4.452 -12.626 1.00 0.00 H new ATOM 0 HB THR A 4 -13.996 3.918 -13.887 1.00 0.00 H new ATOM 0 HG1 THR A 4 -14.996 2.044 -15.058 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.190 1.647 -12.959 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.330 2.938 -11.742 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.785 2.080 -12.301 1.00 0.00 H new ATOM 55 N ASP A 5 -15.612 6.600 -11.770 1.00 0.00 N ATOM 56 CA ASP A 5 -14.956 7.716 -11.039 1.00 0.00 C ATOM 57 C ASP A 5 -14.048 7.155 -9.910 1.00 0.00 C ATOM 58 O ASP A 5 -13.949 7.763 -8.832 1.00 0.00 O ATOM 59 CB ASP A 5 -16.010 8.724 -10.486 1.00 0.00 C ATOM 60 CG ASP A 5 -15.487 10.130 -10.147 1.00 0.00 C ATOM 61 OD1 ASP A 5 -14.545 10.605 -10.819 1.00 0.00 O ATOM 62 OD2 ASP A 5 -16.024 10.766 -9.213 1.00 0.00 O ATOM 0 H ASP A 5 -16.531 6.359 -11.399 1.00 0.00 H new ATOM 0 HA ASP A 5 -14.326 8.267 -11.737 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -16.809 8.823 -11.221 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -16.455 8.297 -9.587 1.00 0.00 H new ATOM 67 N GLN A 6 -13.391 6.008 -10.156 1.00 0.00 N ATOM 68 CA GLN A 6 -12.405 5.409 -9.217 1.00 0.00 C ATOM 69 C GLN A 6 -11.013 6.033 -9.513 1.00 0.00 C ATOM 70 O GLN A 6 -10.344 6.547 -8.609 1.00 0.00 O ATOM 71 CB GLN A 6 -12.403 3.860 -9.352 1.00 0.00 C ATOM 72 CG GLN A 6 -11.157 3.126 -8.798 1.00 0.00 C ATOM 73 CD GLN A 6 -11.079 1.635 -9.171 1.00 0.00 C ATOM 74 OE1 GLN A 6 -12.046 0.888 -9.024 1.00 0.00 O ATOM 75 NE2 GLN A 6 -9.939 1.172 -9.663 1.00 0.00 N ATOM 0 H GLN A 6 -13.523 5.464 -11.009 1.00 0.00 H new ATOM 0 HA GLN A 6 -12.672 5.627 -8.183 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -13.284 3.471 -8.842 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -12.508 3.608 -10.407 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -10.262 3.627 -9.166 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.150 3.217 -7.712 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -9.143 1.798 -9.781 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -9.858 0.189 -9.923 1.00 0.00 H new ATOM 84 N GLN A 7 -10.584 5.949 -10.786 1.00 0.00 N ATOM 85 CA GLN A 7 -9.234 6.393 -11.225 1.00 0.00 C ATOM 86 C GLN A 7 -9.192 7.945 -11.201 1.00 0.00 C ATOM 87 O GLN A 7 -8.171 8.543 -10.840 1.00 0.00 O ATOM 88 CB GLN A 7 -8.903 5.877 -12.655 1.00 0.00 C ATOM 89 CG GLN A 7 -9.369 4.441 -12.984 1.00 0.00 C ATOM 90 CD GLN A 7 -10.799 4.398 -13.549 1.00 0.00 C ATOM 91 OE1 GLN A 7 -11.713 3.851 -12.932 1.00 0.00 O ATOM 92 NE2 GLN A 7 -11.025 4.964 -14.725 1.00 0.00 N ATOM 0 H GLN A 7 -11.156 5.574 -11.542 1.00 0.00 H new ATOM 0 HA GLN A 7 -8.488 5.981 -10.545 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.352 6.558 -13.378 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.824 5.928 -12.797 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.684 3.997 -13.706 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.320 3.831 -12.082 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.262 5.415 -15.229 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.963 4.949 -15.126 1.00 0.00 H new ATOM 101 N ALA A 8 -10.312 8.583 -11.590 1.00 0.00 N ATOM 102 CA ALA A 8 -10.431 10.065 -11.624 1.00 0.00 C ATOM 103 C ALA A 8 -10.318 10.638 -10.184 1.00 0.00 C ATOM 104 O ALA A 8 -9.784 11.735 -9.982 1.00 0.00 O ATOM 105 CB ALA A 8 -11.763 10.450 -12.295 1.00 0.00 C ATOM 0 H ALA A 8 -11.157 8.096 -11.889 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.619 10.496 -12.210 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.856 11.536 -12.323 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.785 10.058 -13.312 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.592 10.029 -11.726 1.00 0.00 H new ATOM 111 N GLU A 9 -10.807 9.866 -9.196 1.00 0.00 N ATOM 112 CA GLU A 9 -10.855 10.294 -7.772 1.00 0.00 C ATOM 113 C GLU A 9 -9.405 10.429 -7.232 1.00 0.00 C ATOM 114 O GLU A 9 -9.104 11.342 -6.453 1.00 0.00 O ATOM 115 CB GLU A 9 -11.704 9.320 -6.905 1.00 0.00 C ATOM 116 CG GLU A 9 -13.048 9.868 -6.370 1.00 0.00 C ATOM 117 CD GLU A 9 -13.228 9.652 -4.865 1.00 0.00 C ATOM 118 OE1 GLU A 9 -12.228 9.723 -4.119 1.00 0.00 O ATOM 119 OE2 GLU A 9 -14.372 9.406 -4.422 1.00 0.00 O ATOM 0 H GLU A 9 -11.180 8.930 -9.354 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.348 11.264 -7.711 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.910 8.428 -7.496 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.100 9.006 -6.054 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.112 10.934 -6.588 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -13.868 9.385 -6.901 1.00 0.00 H new ATOM 126 N ALA A 10 -8.527 9.491 -7.632 1.00 0.00 N ATOM 127 CA ALA A 10 -7.132 9.414 -7.121 1.00 0.00 C ATOM 128 C ALA A 10 -6.284 10.570 -7.720 1.00 0.00 C ATOM 129 O ALA A 10 -5.392 11.108 -7.054 1.00 0.00 O ATOM 130 CB ALA A 10 -6.544 8.031 -7.464 1.00 0.00 C ATOM 0 H ALA A 10 -8.755 8.767 -8.313 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.120 9.530 -6.037 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.521 7.968 -7.092 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.148 7.253 -6.998 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.546 7.893 -8.545 1.00 0.00 H new ATOM 136 N ARG A 11 -6.584 10.935 -8.980 1.00 0.00 N ATOM 137 CA ARG A 11 -5.809 11.947 -9.745 1.00 0.00 C ATOM 138 C ARG A 11 -6.107 13.344 -9.134 1.00 0.00 C ATOM 139 O ARG A 11 -5.226 14.210 -9.080 1.00 0.00 O ATOM 140 CB ARG A 11 -6.180 11.898 -11.254 1.00 0.00 C ATOM 141 CG ARG A 11 -5.039 12.290 -12.222 1.00 0.00 C ATOM 142 CD ARG A 11 -5.179 13.729 -12.755 1.00 0.00 C ATOM 143 NE ARG A 11 -6.215 13.826 -13.814 1.00 0.00 N ATOM 144 CZ ARG A 11 -5.962 13.804 -15.139 1.00 0.00 C ATOM 145 NH1 ARG A 11 -4.953 13.100 -15.633 1.00 0.00 N ATOM 146 NH2 ARG A 11 -6.745 14.448 -15.994 1.00 0.00 N ATOM 0 H ARG A 11 -7.367 10.542 -9.501 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.742 11.737 -9.675 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.512 10.889 -11.498 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.026 12.563 -11.426 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.082 12.188 -11.710 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.026 11.595 -13.062 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.435 14.398 -11.933 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.221 14.065 -13.152 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.187 13.916 -13.519 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.352 12.562 -15.008 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.778 13.096 -16.638 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.552 14.970 -15.653 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.540 14.421 -16.993 1.00 0.00 H new ATOM 160 N ALA A 12 -7.368 13.551 -8.706 1.00 0.00 N ATOM 161 CA ALA A 12 -7.810 14.822 -8.074 1.00 0.00 C ATOM 162 C ALA A 12 -7.143 14.981 -6.680 1.00 0.00 C ATOM 163 O ALA A 12 -6.911 16.103 -6.215 1.00 0.00 O ATOM 164 CB ALA A 12 -9.349 14.836 -7.979 1.00 0.00 C ATOM 0 H ALA A 12 -8.107 12.852 -8.785 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.500 15.671 -8.683 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.676 15.767 -7.516 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.776 14.758 -8.979 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.684 13.993 -7.375 1.00 0.00 H new ATOM 170 N PHE A 13 -6.864 13.843 -6.016 1.00 0.00 N ATOM 171 CA PHE A 13 -6.250 13.826 -4.662 1.00 0.00 C ATOM 172 C PHE A 13 -4.882 14.561 -4.702 1.00 0.00 C ATOM 173 O PHE A 13 -4.619 15.450 -3.884 1.00 0.00 O ATOM 174 CB PHE A 13 -6.140 12.352 -4.172 1.00 0.00 C ATOM 175 CG PHE A 13 -5.797 12.184 -2.679 1.00 0.00 C ATOM 176 CD1 PHE A 13 -6.582 12.801 -1.697 1.00 0.00 C ATOM 177 CD2 PHE A 13 -4.687 11.425 -2.289 1.00 0.00 C ATOM 178 CE1 PHE A 13 -6.262 12.659 -0.349 1.00 0.00 C ATOM 179 CE2 PHE A 13 -4.368 11.285 -0.941 1.00 0.00 C ATOM 180 CZ PHE A 13 -5.155 11.902 0.028 1.00 0.00 C ATOM 0 H PHE A 13 -7.053 12.914 -6.393 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.872 14.360 -3.944 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.086 11.848 -4.371 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.378 11.845 -4.763 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -7.440 13.390 -1.986 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.075 10.945 -3.038 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.872 13.136 0.404 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.510 10.698 -0.647 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.907 11.793 1.073 1.00 0.00 H new ATOM 190 N LEU A 14 -4.034 14.184 -5.678 1.00 0.00 N ATOM 191 CA LEU A 14 -2.661 14.734 -5.822 1.00 0.00 C ATOM 192 C LEU A 14 -2.687 15.797 -6.954 1.00 0.00 C ATOM 193 O LEU A 14 -3.686 15.934 -7.669 1.00 0.00 O ATOM 194 CB LEU A 14 -1.634 13.599 -6.116 1.00 0.00 C ATOM 195 CG LEU A 14 -2.169 12.137 -6.141 1.00 0.00 C ATOM 196 CD1 LEU A 14 -2.692 11.722 -7.531 1.00 0.00 C ATOM 197 CD2 LEU A 14 -1.092 11.141 -5.667 1.00 0.00 C ATOM 0 H LEU A 14 -4.274 13.493 -6.389 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.342 15.203 -4.892 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.172 13.805 -7.081 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.845 13.656 -5.366 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.011 12.109 -5.449 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.053 10.694 -7.492 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.508 12.382 -7.825 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.885 11.796 -8.260 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.495 10.129 -5.695 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.224 11.204 -6.323 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.795 11.385 -4.647 1.00 0.00 H new ATOM 209 N SER A 15 -1.564 16.521 -7.117 1.00 0.00 N ATOM 210 CA SER A 15 -1.422 17.580 -8.151 1.00 0.00 C ATOM 211 C SER A 15 -0.611 17.033 -9.357 1.00 0.00 C ATOM 212 O SER A 15 -0.476 15.816 -9.528 1.00 0.00 O ATOM 213 CB SER A 15 -0.766 18.830 -7.520 1.00 0.00 C ATOM 214 OG SER A 15 -1.116 18.964 -6.146 1.00 0.00 O ATOM 0 H SER A 15 -0.730 16.395 -6.543 1.00 0.00 H new ATOM 0 HA SER A 15 -2.402 17.875 -8.527 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.318 18.761 -7.616 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.078 19.721 -8.065 1.00 0.00 H new ATOM 0 HG SER A 15 -0.685 19.762 -5.775 1.00 0.00 H new ATOM 220 N GLU A 16 -0.091 17.952 -10.192 1.00 0.00 N ATOM 221 CA GLU A 16 0.698 17.598 -11.402 1.00 0.00 C ATOM 222 C GLU A 16 2.142 17.226 -10.964 1.00 0.00 C ATOM 223 O GLU A 16 2.758 16.323 -11.543 1.00 0.00 O ATOM 224 CB GLU A 16 0.642 18.756 -12.439 1.00 0.00 C ATOM 225 CG GLU A 16 1.495 18.580 -13.718 1.00 0.00 C ATOM 226 CD GLU A 16 1.032 19.431 -14.904 1.00 0.00 C ATOM 227 OE1 GLU A 16 1.282 20.657 -14.905 1.00 0.00 O ATOM 228 OE2 GLU A 16 0.419 18.877 -15.844 1.00 0.00 O ATOM 0 H GLU A 16 -0.201 18.957 -10.054 1.00 0.00 H new ATOM 0 HA GLU A 16 0.274 16.728 -11.904 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.397 18.896 -12.738 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.957 19.674 -11.943 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.531 18.831 -13.488 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.479 17.530 -14.010 1.00 0.00 H new ATOM 235 N GLU A 17 2.655 17.939 -9.937 1.00 0.00 N ATOM 236 CA GLU A 17 4.062 17.774 -9.476 1.00 0.00 C ATOM 237 C GLU A 17 4.196 16.370 -8.826 1.00 0.00 C ATOM 238 O GLU A 17 5.237 15.714 -8.948 1.00 0.00 O ATOM 239 CB GLU A 17 4.488 18.936 -8.533 1.00 0.00 C ATOM 240 CG GLU A 17 5.915 18.857 -7.942 1.00 0.00 C ATOM 241 CD GLU A 17 6.318 20.078 -7.109 1.00 0.00 C ATOM 242 OE1 GLU A 17 6.794 21.077 -7.693 1.00 0.00 O ATOM 243 OE2 GLU A 17 6.157 20.046 -5.869 1.00 0.00 O ATOM 0 H GLU A 17 2.123 18.632 -9.410 1.00 0.00 H new ATOM 0 HA GLU A 17 4.751 17.829 -10.319 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.398 19.873 -9.083 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.779 18.982 -7.707 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.989 17.966 -7.319 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.628 18.736 -8.758 1.00 0.00 H new ATOM 250 N MET A 18 3.118 15.912 -8.162 1.00 0.00 N ATOM 251 CA MET A 18 3.094 14.604 -7.456 1.00 0.00 C ATOM 252 C MET A 18 3.124 13.483 -8.531 1.00 0.00 C ATOM 253 O MET A 18 3.766 12.442 -8.339 1.00 0.00 O ATOM 254 CB MET A 18 1.861 14.486 -6.516 1.00 0.00 C ATOM 255 CG MET A 18 2.072 14.967 -5.068 1.00 0.00 C ATOM 256 SD MET A 18 2.806 16.618 -5.065 1.00 0.00 S ATOM 257 CE MET A 18 2.366 17.197 -3.413 1.00 0.00 C ATOM 0 H MET A 18 2.242 16.430 -8.096 1.00 0.00 H new ATOM 0 HA MET A 18 3.966 14.509 -6.809 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.040 15.055 -6.952 1.00 0.00 H new ATOM 0 HB3 MET A 18 1.547 13.443 -6.490 1.00 0.00 H new ATOM 0 HG2 MET A 18 1.119 14.983 -4.539 1.00 0.00 H new ATOM 0 HG3 MET A 18 2.720 14.271 -4.536 1.00 0.00 H new ATOM 0 HE1 MET A 18 2.753 18.205 -3.266 1.00 0.00 H new ATOM 0 HE2 MET A 18 1.281 17.206 -3.307 1.00 0.00 H new ATOM 0 HE3 MET A 18 2.798 16.530 -2.667 1.00 0.00 H new ATOM 267 N ILE A 19 2.422 13.714 -9.656 1.00 0.00 N ATOM 268 CA ILE A 19 2.255 12.705 -10.736 1.00 0.00 C ATOM 269 C ILE A 19 3.676 12.423 -11.295 1.00 0.00 C ATOM 270 O ILE A 19 3.985 11.290 -11.684 1.00 0.00 O ATOM 271 CB ILE A 19 1.199 13.164 -11.811 1.00 0.00 C ATOM 272 CG1 ILE A 19 -0.274 12.981 -11.326 1.00 0.00 C ATOM 273 CG2 ILE A 19 1.398 12.458 -13.181 1.00 0.00 C ATOM 274 CD1 ILE A 19 -1.331 12.825 -12.432 1.00 0.00 C ATOM 0 H ILE A 19 1.954 14.600 -9.848 1.00 0.00 H new ATOM 0 HA ILE A 19 1.833 11.772 -10.362 1.00 0.00 H new ATOM 0 HB ILE A 19 1.378 14.230 -11.949 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.318 12.103 -10.682 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.543 13.840 -10.712 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.644 12.811 -13.885 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.391 12.687 -13.568 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.299 11.380 -13.053 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.316 12.705 -11.980 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.328 13.712 -13.066 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.099 11.947 -13.036 1.00 0.00 H new ATOM 286 N ALA A 20 4.520 13.470 -11.360 1.00 0.00 N ATOM 287 CA ALA A 20 5.883 13.380 -11.949 1.00 0.00 C ATOM 288 C ALA A 20 6.776 12.442 -11.092 1.00 0.00 C ATOM 289 O ALA A 20 7.623 11.715 -11.626 1.00 0.00 O ATOM 290 CB ALA A 20 6.479 14.798 -12.058 1.00 0.00 C ATOM 0 H ALA A 20 4.285 14.399 -11.010 1.00 0.00 H new ATOM 0 HA ALA A 20 5.831 12.951 -12.950 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.478 14.740 -12.489 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.843 15.412 -12.696 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.537 15.246 -11.066 1.00 0.00 H new ATOM 296 N GLU A 21 6.593 12.496 -9.760 1.00 0.00 N ATOM 297 CA GLU A 21 7.353 11.650 -8.801 1.00 0.00 C ATOM 298 C GLU A 21 7.209 10.166 -9.238 1.00 0.00 C ATOM 299 O GLU A 21 8.158 9.379 -9.141 1.00 0.00 O ATOM 300 CB GLU A 21 6.873 11.920 -7.346 1.00 0.00 C ATOM 301 CG GLU A 21 7.867 11.576 -6.213 1.00 0.00 C ATOM 302 CD GLU A 21 7.510 12.193 -4.857 1.00 0.00 C ATOM 303 OE1 GLU A 21 6.764 11.557 -4.080 1.00 0.00 O ATOM 304 OE2 GLU A 21 7.971 13.319 -4.564 1.00 0.00 O ATOM 0 H GLU A 21 5.921 13.120 -9.313 1.00 0.00 H new ATOM 0 HA GLU A 21 8.414 11.898 -8.812 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.614 12.976 -7.263 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.957 11.353 -7.179 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.917 10.493 -6.105 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.862 11.914 -6.503 1.00 0.00 H new ATOM 311 N PHE A 22 5.997 9.797 -9.693 1.00 0.00 N ATOM 312 CA PHE A 22 5.646 8.398 -10.050 1.00 0.00 C ATOM 313 C PHE A 22 6.027 8.134 -11.533 1.00 0.00 C ATOM 314 O PHE A 22 6.174 6.971 -11.934 1.00 0.00 O ATOM 315 CB PHE A 22 4.134 8.130 -9.779 1.00 0.00 C ATOM 316 CG PHE A 22 3.644 8.506 -8.365 1.00 0.00 C ATOM 317 CD1 PHE A 22 4.419 8.193 -7.243 1.00 0.00 C ATOM 318 CD2 PHE A 22 2.432 9.185 -8.192 1.00 0.00 C ATOM 319 CE1 PHE A 22 3.997 8.567 -5.969 1.00 0.00 C ATOM 320 CE2 PHE A 22 2.012 9.560 -6.918 1.00 0.00 C ATOM 321 CZ PHE A 22 2.800 9.260 -5.809 1.00 0.00 C ATOM 0 H PHE A 22 5.230 10.456 -9.826 1.00 0.00 H new ATOM 0 HA PHE A 22 6.210 7.705 -9.426 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.546 8.686 -10.510 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.933 7.072 -9.946 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.349 7.659 -7.365 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.820 9.419 -9.050 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.598 8.320 -5.106 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.076 10.083 -6.790 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.482 9.566 -4.823 1.00 0.00 H new ATOM 331 N LYS A 23 6.150 9.204 -12.339 1.00 0.00 N ATOM 332 CA LYS A 23 6.494 9.109 -13.784 1.00 0.00 C ATOM 333 C LYS A 23 7.848 8.361 -13.910 1.00 0.00 C ATOM 334 O LYS A 23 7.972 7.406 -14.688 1.00 0.00 O ATOM 335 CB LYS A 23 6.570 10.518 -14.445 1.00 0.00 C ATOM 336 CG LYS A 23 5.296 11.031 -15.157 1.00 0.00 C ATOM 337 CD LYS A 23 5.495 12.297 -16.017 1.00 0.00 C ATOM 338 CE LYS A 23 6.979 12.607 -16.285 1.00 0.00 C ATOM 339 NZ LYS A 23 7.588 11.607 -17.179 1.00 0.00 N ATOM 0 H LYS A 23 6.015 10.162 -12.015 1.00 0.00 H new ATOM 0 HA LYS A 23 5.714 8.559 -14.310 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.841 11.239 -13.674 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.383 10.508 -15.171 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.908 10.235 -15.793 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.535 11.237 -14.404 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.977 12.170 -16.968 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.035 13.148 -15.515 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.070 13.598 -16.730 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.523 12.631 -15.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.508 11.312 -16.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.962 10.780 -17.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.724 12.022 -18.123 1.00 0.00 H new ATOM 353 N ALA A 24 8.864 8.827 -13.160 1.00 0.00 N ATOM 354 CA ALA A 24 10.249 8.292 -13.247 1.00 0.00 C ATOM 355 C ALA A 24 10.231 6.745 -13.108 1.00 0.00 C ATOM 356 O ALA A 24 10.595 6.017 -14.040 1.00 0.00 O ATOM 357 CB ALA A 24 11.115 8.957 -12.160 1.00 0.00 C ATOM 0 H ALA A 24 8.757 9.579 -12.479 1.00 0.00 H new ATOM 0 HA ALA A 24 10.683 8.525 -14.219 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.132 8.570 -12.218 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.128 10.036 -12.315 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.698 8.737 -11.177 1.00 0.00 H new ATOM 363 N ALA A 25 9.831 6.260 -11.918 1.00 0.00 N ATOM 364 CA ALA A 25 9.802 4.809 -11.597 1.00 0.00 C ATOM 365 C ALA A 25 8.899 4.043 -12.603 1.00 0.00 C ATOM 366 O ALA A 25 9.102 2.846 -12.841 1.00 0.00 O ATOM 367 CB ALA A 25 9.322 4.627 -10.144 1.00 0.00 C ATOM 0 H ALA A 25 9.519 6.855 -11.150 1.00 0.00 H new ATOM 0 HA ALA A 25 10.804 4.390 -11.688 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.297 3.565 -9.899 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.006 5.140 -9.468 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.322 5.047 -10.036 1.00 0.00 H new ATOM 373 N PHE A 26 7.887 4.742 -13.158 1.00 0.00 N ATOM 374 CA PHE A 26 6.873 4.119 -14.052 1.00 0.00 C ATOM 375 C PHE A 26 7.626 3.346 -15.170 1.00 0.00 C ATOM 376 O PHE A 26 7.360 2.162 -15.409 1.00 0.00 O ATOM 377 CB PHE A 26 5.892 5.179 -14.638 1.00 0.00 C ATOM 378 CG PHE A 26 4.688 4.591 -15.411 1.00 0.00 C ATOM 379 CD1 PHE A 26 4.900 3.799 -16.545 1.00 0.00 C ATOM 380 CD2 PHE A 26 3.380 4.839 -14.983 1.00 0.00 C ATOM 381 CE1 PHE A 26 3.819 3.260 -17.239 1.00 0.00 C ATOM 382 CE2 PHE A 26 2.300 4.299 -15.678 1.00 0.00 C ATOM 383 CZ PHE A 26 2.520 3.514 -16.807 1.00 0.00 C ATOM 0 H PHE A 26 7.745 5.741 -13.006 1.00 0.00 H new ATOM 0 HA PHE A 26 6.255 3.426 -13.482 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.516 5.796 -13.822 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.448 5.838 -15.305 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.907 3.605 -16.884 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.206 5.451 -14.111 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.988 2.646 -18.111 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.292 4.489 -15.341 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.682 3.101 -17.348 1.00 0.00 H new ATOM 393 N ASP A 27 8.543 4.046 -15.864 1.00 0.00 N ATOM 394 CA ASP A 27 9.293 3.480 -17.016 1.00 0.00 C ATOM 395 C ASP A 27 10.065 2.220 -16.537 1.00 0.00 C ATOM 396 O ASP A 27 10.238 1.262 -17.300 1.00 0.00 O ATOM 397 CB ASP A 27 10.223 4.541 -17.673 1.00 0.00 C ATOM 398 CG ASP A 27 9.705 5.990 -17.670 1.00 0.00 C ATOM 399 OD1 ASP A 27 8.472 6.192 -17.733 1.00 0.00 O ATOM 400 OD2 ASP A 27 10.530 6.927 -17.597 1.00 0.00 O ATOM 0 H ASP A 27 8.788 5.013 -15.649 1.00 0.00 H new ATOM 0 HA ASP A 27 8.595 3.183 -17.798 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.184 4.519 -17.160 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.406 4.244 -18.706 1.00 0.00 H new ATOM 405 N MET A 28 10.520 2.241 -15.267 1.00 0.00 N ATOM 406 CA MET A 28 11.309 1.127 -14.674 1.00 0.00 C ATOM 407 C MET A 28 10.425 -0.150 -14.713 1.00 0.00 C ATOM 408 O MET A 28 10.903 -1.240 -15.047 1.00 0.00 O ATOM 409 CB MET A 28 11.798 1.456 -13.234 1.00 0.00 C ATOM 410 CG MET A 28 13.192 0.918 -12.860 1.00 0.00 C ATOM 411 SD MET A 28 13.900 1.909 -11.525 1.00 0.00 S ATOM 412 CE MET A 28 12.425 2.319 -10.569 1.00 0.00 C ATOM 0 H MET A 28 10.357 3.017 -14.626 1.00 0.00 H new ATOM 0 HA MET A 28 12.217 0.967 -15.255 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.802 2.539 -13.111 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.073 1.057 -12.524 1.00 0.00 H new ATOM 0 HG2 MET A 28 13.117 -0.124 -12.550 1.00 0.00 H new ATOM 0 HG3 MET A 28 13.847 0.945 -13.731 1.00 0.00 H new ATOM 0 HE1 MET A 28 12.717 2.641 -9.570 1.00 0.00 H new ATOM 0 HE2 MET A 28 11.882 3.123 -11.065 1.00 0.00 H new ATOM 0 HE3 MET A 28 11.784 1.441 -10.494 1.00 0.00 H new ATOM 422 N PHE A 29 9.139 0.002 -14.339 1.00 0.00 N ATOM 423 CA PHE A 29 8.171 -1.126 -14.297 1.00 0.00 C ATOM 424 C PHE A 29 7.944 -1.634 -15.747 1.00 0.00 C ATOM 425 O PHE A 29 7.765 -2.837 -15.974 1.00 0.00 O ATOM 426 CB PHE A 29 6.841 -0.691 -13.614 1.00 0.00 C ATOM 427 CG PHE A 29 6.786 -0.892 -12.087 1.00 0.00 C ATOM 428 CD1 PHE A 29 7.967 -0.983 -11.340 1.00 0.00 C ATOM 429 CD2 PHE A 29 5.553 -0.976 -11.429 1.00 0.00 C ATOM 430 CE1 PHE A 29 7.914 -1.165 -9.960 1.00 0.00 C ATOM 431 CE2 PHE A 29 5.503 -1.159 -10.049 1.00 0.00 C ATOM 432 CZ PHE A 29 6.683 -1.254 -9.316 1.00 0.00 C ATOM 0 H PHE A 29 8.740 0.898 -14.059 1.00 0.00 H new ATOM 0 HA PHE A 29 8.572 -1.942 -13.696 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.669 0.363 -13.831 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.021 -1.248 -14.067 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.924 -0.912 -11.836 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.636 -0.899 -11.994 1.00 0.00 H new ATOM 0 HE1 PHE A 29 8.828 -1.237 -9.389 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.549 -1.227 -9.548 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.643 -1.397 -8.246 1.00 0.00 H new ATOM 442 N ASP A 30 7.936 -0.698 -16.714 1.00 0.00 N ATOM 443 CA ASP A 30 7.702 -1.013 -18.148 1.00 0.00 C ATOM 444 C ASP A 30 8.893 -1.862 -18.671 1.00 0.00 C ATOM 445 O ASP A 30 9.979 -1.860 -18.078 1.00 0.00 O ATOM 446 CB ASP A 30 7.470 0.276 -18.989 1.00 0.00 C ATOM 447 CG ASP A 30 6.680 0.097 -20.297 1.00 0.00 C ATOM 448 OD1 ASP A 30 5.917 -0.887 -20.415 1.00 0.00 O ATOM 449 OD2 ASP A 30 6.818 0.945 -21.207 1.00 0.00 O ATOM 0 H ASP A 30 8.090 0.294 -16.532 1.00 0.00 H new ATOM 0 HA ASP A 30 6.787 -1.596 -18.251 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.945 1.001 -18.368 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.441 0.707 -19.231 1.00 0.00 H new ATOM 454 N ALA A 31 8.680 -2.560 -19.803 1.00 0.00 N ATOM 455 CA ALA A 31 9.714 -3.422 -20.434 1.00 0.00 C ATOM 456 C ALA A 31 10.002 -2.935 -21.881 1.00 0.00 C ATOM 457 O ALA A 31 11.151 -2.645 -22.233 1.00 0.00 O ATOM 458 CB ALA A 31 9.235 -4.887 -20.405 1.00 0.00 C ATOM 0 H ALA A 31 7.794 -2.547 -20.308 1.00 0.00 H new ATOM 0 HA ALA A 31 10.649 -3.357 -19.878 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.989 -5.525 -20.866 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.079 -5.198 -19.372 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.299 -4.975 -20.956 1.00 0.00 H new ATOM 464 N ASP A 32 8.939 -2.856 -22.704 1.00 0.00 N ATOM 465 CA ASP A 32 9.049 -2.516 -24.148 1.00 0.00 C ATOM 466 C ASP A 32 8.700 -1.017 -24.350 1.00 0.00 C ATOM 467 O ASP A 32 8.224 -0.624 -25.426 1.00 0.00 O ATOM 468 CB ASP A 32 8.169 -3.457 -25.023 1.00 0.00 C ATOM 469 CG ASP A 32 6.811 -3.862 -24.423 1.00 0.00 C ATOM 470 OD1 ASP A 32 5.910 -3.000 -24.326 1.00 0.00 O ATOM 471 OD2 ASP A 32 6.647 -5.041 -24.041 1.00 0.00 O ATOM 0 H ASP A 32 7.981 -3.024 -22.395 1.00 0.00 H new ATOM 0 HA ASP A 32 10.075 -2.674 -24.479 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.989 -2.967 -25.980 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.737 -4.364 -25.230 1.00 0.00 H new ATOM 476 N GLY A 33 8.968 -0.183 -23.329 1.00 0.00 N ATOM 477 CA GLY A 33 8.791 1.290 -23.414 1.00 0.00 C ATOM 478 C GLY A 33 7.459 1.692 -24.100 1.00 0.00 C ATOM 479 O GLY A 33 7.361 2.756 -24.725 1.00 0.00 O ATOM 0 H GLY A 33 9.312 -0.503 -22.423 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.821 1.714 -22.410 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.625 1.721 -23.968 1.00 0.00 H new ATOM 483 N GLY A 34 6.444 0.812 -24.001 1.00 0.00 N ATOM 484 CA GLY A 34 5.146 1.002 -24.696 1.00 0.00 C ATOM 485 C GLY A 34 4.416 2.254 -24.149 1.00 0.00 C ATOM 486 O GLY A 34 4.345 3.294 -24.814 1.00 0.00 O ATOM 0 H GLY A 34 6.494 -0.042 -23.445 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.313 1.110 -25.768 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.521 0.120 -24.558 1.00 0.00 H new ATOM 490 N GLY A 35 3.847 2.128 -22.933 1.00 0.00 N ATOM 491 CA GLY A 35 3.019 3.194 -22.316 1.00 0.00 C ATOM 492 C GLY A 35 2.134 2.597 -21.192 1.00 0.00 C ATOM 493 O GLY A 35 1.883 3.247 -20.170 1.00 0.00 O ATOM 0 H GLY A 35 3.945 1.295 -22.353 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.662 3.974 -21.908 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.391 3.662 -23.074 1.00 0.00 H new ATOM 497 N ASP A 36 1.672 1.349 -21.401 1.00 0.00 N ATOM 498 CA ASP A 36 0.903 0.581 -20.386 1.00 0.00 C ATOM 499 C ASP A 36 1.747 -0.647 -19.947 1.00 0.00 C ATOM 500 O ASP A 36 2.631 -1.101 -20.683 1.00 0.00 O ATOM 501 CB ASP A 36 -0.506 0.181 -20.914 1.00 0.00 C ATOM 502 CG ASP A 36 -0.888 0.723 -22.302 1.00 0.00 C ATOM 503 OD1 ASP A 36 -0.508 0.101 -23.319 1.00 0.00 O ATOM 504 OD2 ASP A 36 -1.573 1.767 -22.378 1.00 0.00 O ATOM 0 H ASP A 36 1.817 0.841 -22.273 1.00 0.00 H new ATOM 0 HA ASP A 36 0.719 1.208 -19.513 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.565 -0.907 -20.942 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.251 0.522 -20.195 1.00 0.00 H new ATOM 509 N ILE A 37 1.482 -1.154 -18.727 1.00 0.00 N ATOM 510 CA ILE A 37 2.177 -2.334 -18.147 1.00 0.00 C ATOM 511 C ILE A 37 1.285 -3.593 -18.331 1.00 0.00 C ATOM 512 O ILE A 37 0.164 -3.507 -18.851 1.00 0.00 O ATOM 513 CB ILE A 37 2.642 -2.131 -16.656 1.00 0.00 C ATOM 514 CG1 ILE A 37 2.696 -0.649 -16.169 1.00 0.00 C ATOM 515 CG2 ILE A 37 3.974 -2.874 -16.381 1.00 0.00 C ATOM 516 CD1 ILE A 37 3.392 -0.412 -14.819 1.00 0.00 C ATOM 0 H ILE A 37 0.776 -0.758 -18.107 1.00 0.00 H new ATOM 0 HA ILE A 37 3.109 -2.474 -18.695 1.00 0.00 H new ATOM 0 HB ILE A 37 1.853 -2.581 -16.053 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.206 -0.056 -16.928 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.676 -0.271 -16.101 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.271 -2.716 -15.344 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.840 -3.940 -16.562 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.749 -2.488 -17.043 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.371 0.651 -14.580 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.873 -0.969 -14.039 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.427 -0.750 -14.879 1.00 0.00 H new ATOM 528 N SER A 38 1.782 -4.757 -17.870 1.00 0.00 N ATOM 529 CA SER A 38 1.050 -6.048 -17.979 1.00 0.00 C ATOM 530 C SER A 38 1.504 -7.011 -16.848 1.00 0.00 C ATOM 531 O SER A 38 2.035 -6.573 -15.820 1.00 0.00 O ATOM 532 CB SER A 38 1.273 -6.647 -19.387 1.00 0.00 C ATOM 533 OG SER A 38 1.567 -5.634 -20.343 1.00 0.00 O ATOM 0 H SER A 38 2.692 -4.837 -17.415 1.00 0.00 H new ATOM 0 HA SER A 38 -0.021 -5.887 -17.853 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.092 -7.365 -19.353 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.382 -7.194 -19.697 1.00 0.00 H new ATOM 0 HG SER A 38 2.407 -5.191 -20.102 1.00 0.00 H new ATOM 539 N THR A 39 1.263 -8.320 -17.050 1.00 0.00 N ATOM 540 CA THR A 39 1.622 -9.383 -16.074 1.00 0.00 C ATOM 541 C THR A 39 3.102 -9.796 -16.301 1.00 0.00 C ATOM 542 O THR A 39 3.853 -10.003 -15.338 1.00 0.00 O ATOM 543 CB THR A 39 0.642 -10.597 -16.143 1.00 0.00 C ATOM 544 OG1 THR A 39 0.198 -10.809 -17.481 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.601 -10.491 -15.241 1.00 0.00 C ATOM 0 H THR A 39 0.814 -8.677 -17.893 1.00 0.00 H new ATOM 0 HA THR A 39 1.522 -8.990 -15.062 1.00 0.00 H new ATOM 0 HB THR A 39 1.232 -11.435 -15.772 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.414 -11.574 -17.505 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.216 -11.383 -15.363 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.289 -10.404 -14.200 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.180 -9.611 -15.521 1.00 0.00 H new ATOM 553 N LYS A 40 3.505 -9.924 -17.579 1.00 0.00 N ATOM 554 CA LYS A 40 4.888 -10.323 -17.957 1.00 0.00 C ATOM 555 C LYS A 40 5.869 -9.190 -17.550 1.00 0.00 C ATOM 556 O LYS A 40 7.019 -9.456 -17.178 1.00 0.00 O ATOM 557 CB LYS A 40 4.924 -10.667 -19.475 1.00 0.00 C ATOM 558 CG LYS A 40 6.303 -11.052 -20.068 1.00 0.00 C ATOM 559 CD LYS A 40 6.952 -12.392 -19.645 1.00 0.00 C ATOM 560 CE LYS A 40 6.494 -13.656 -20.403 1.00 0.00 C ATOM 561 NZ LYS A 40 7.373 -14.028 -21.526 1.00 0.00 N ATOM 0 H LYS A 40 2.893 -9.757 -18.378 1.00 0.00 H new ATOM 0 HA LYS A 40 5.205 -11.221 -17.427 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.234 -11.492 -19.654 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.543 -9.808 -20.028 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.204 -11.062 -21.153 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.003 -10.254 -19.820 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.032 -12.298 -19.761 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.758 -12.543 -18.583 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.443 -14.490 -19.703 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.485 -13.495 -20.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.004 -14.884 -21.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.404 -13.250 -22.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.332 -14.213 -21.169 1.00 0.00 H new ATOM 575 N GLU A 41 5.402 -7.930 -17.635 1.00 0.00 N ATOM 576 CA GLU A 41 6.250 -6.731 -17.396 1.00 0.00 C ATOM 577 C GLU A 41 6.428 -6.523 -15.867 1.00 0.00 C ATOM 578 O GLU A 41 7.506 -6.127 -15.406 1.00 0.00 O ATOM 579 CB GLU A 41 5.660 -5.478 -18.106 1.00 0.00 C ATOM 580 CG GLU A 41 4.957 -5.687 -19.470 1.00 0.00 C ATOM 581 CD GLU A 41 4.829 -4.414 -20.313 1.00 0.00 C ATOM 582 OE1 GLU A 41 5.869 -3.844 -20.711 1.00 0.00 O ATOM 583 OE2 GLU A 41 3.687 -3.980 -20.584 1.00 0.00 O ATOM 0 H GLU A 41 4.434 -7.708 -17.869 1.00 0.00 H new ATOM 0 HA GLU A 41 7.237 -6.889 -17.831 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.944 -5.014 -17.427 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.470 -4.763 -18.252 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.510 -6.433 -20.041 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.961 -6.094 -19.294 1.00 0.00 H new ATOM 590 N LEU A 42 5.357 -6.787 -15.096 1.00 0.00 N ATOM 591 CA LEU A 42 5.326 -6.528 -13.631 1.00 0.00 C ATOM 592 C LEU A 42 6.223 -7.583 -12.929 1.00 0.00 C ATOM 593 O LEU A 42 6.930 -7.271 -11.963 1.00 0.00 O ATOM 594 CB LEU A 42 3.863 -6.563 -13.093 1.00 0.00 C ATOM 595 CG LEU A 42 3.669 -6.679 -11.553 1.00 0.00 C ATOM 596 CD1 LEU A 42 3.840 -5.311 -10.864 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.304 -7.291 -11.174 1.00 0.00 C ATOM 0 H LEU A 42 4.491 -7.183 -15.461 1.00 0.00 H new ATOM 0 HA LEU A 42 5.713 -5.531 -13.418 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.359 -5.657 -13.429 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.352 -7.404 -13.561 1.00 0.00 H new ATOM 0 HG LEU A 42 4.446 -7.356 -11.198 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.699 -5.425 -9.789 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.841 -4.928 -11.060 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.101 -4.612 -11.255 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.220 -7.349 -10.089 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.503 -6.665 -11.567 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.223 -8.292 -11.598 1.00 0.00 H new ATOM 609 N GLY A 43 6.161 -8.840 -13.409 1.00 0.00 N ATOM 610 CA GLY A 43 6.864 -9.985 -12.778 1.00 0.00 C ATOM 611 C GLY A 43 8.379 -9.691 -12.627 1.00 0.00 C ATOM 612 O GLY A 43 8.975 -9.977 -11.579 1.00 0.00 O ATOM 0 H GLY A 43 5.627 -9.094 -14.240 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.430 -10.188 -11.799 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.722 -10.881 -13.382 1.00 0.00 H new ATOM 616 N THR A 44 8.991 -9.146 -13.694 1.00 0.00 N ATOM 617 CA THR A 44 10.458 -8.909 -13.759 1.00 0.00 C ATOM 618 C THR A 44 10.892 -8.084 -12.515 1.00 0.00 C ATOM 619 O THR A 44 11.809 -8.479 -11.786 1.00 0.00 O ATOM 620 CB THR A 44 10.883 -8.238 -15.103 1.00 0.00 C ATOM 621 OG1 THR A 44 11.037 -9.218 -16.127 1.00 0.00 O ATOM 622 CG2 THR A 44 12.179 -7.408 -15.040 1.00 0.00 C ATOM 0 H THR A 44 8.492 -8.856 -14.535 1.00 0.00 H new ATOM 0 HA THR A 44 10.978 -9.867 -13.739 1.00 0.00 H new ATOM 0 HB THR A 44 10.071 -7.545 -15.323 1.00 0.00 H new ATOM 0 HG1 THR A 44 11.302 -8.779 -16.962 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.388 -6.984 -16.022 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.060 -6.603 -14.315 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.007 -8.049 -14.738 1.00 0.00 H new ATOM 630 N VAL A 45 10.237 -6.926 -12.309 1.00 0.00 N ATOM 631 CA VAL A 45 10.597 -5.957 -11.241 1.00 0.00 C ATOM 632 C VAL A 45 10.382 -6.662 -9.873 1.00 0.00 C ATOM 633 O VAL A 45 11.122 -6.405 -8.913 1.00 0.00 O ATOM 634 CB VAL A 45 9.812 -4.605 -11.386 1.00 0.00 C ATOM 635 CG1 VAL A 45 9.277 -4.073 -10.034 1.00 0.00 C ATOM 636 CG2 VAL A 45 10.619 -3.470 -12.063 1.00 0.00 C ATOM 0 H VAL A 45 9.442 -6.630 -12.875 1.00 0.00 H new ATOM 0 HA VAL A 45 11.644 -5.666 -11.324 1.00 0.00 H new ATOM 0 HB VAL A 45 8.979 -4.871 -12.037 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.743 -3.137 -10.197 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.599 -4.806 -9.597 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.112 -3.901 -9.355 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.004 -2.572 -12.124 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.512 -3.259 -11.476 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.910 -3.779 -13.067 1.00 0.00 H new ATOM 646 N MET A 46 9.349 -7.521 -9.791 1.00 0.00 N ATOM 647 CA MET A 46 8.983 -8.231 -8.536 1.00 0.00 C ATOM 648 C MET A 46 10.202 -9.088 -8.100 1.00 0.00 C ATOM 649 O MET A 46 10.464 -9.246 -6.900 1.00 0.00 O ATOM 650 CB MET A 46 7.695 -9.083 -8.719 1.00 0.00 C ATOM 651 CG MET A 46 6.363 -8.338 -8.506 1.00 0.00 C ATOM 652 SD MET A 46 5.510 -8.996 -7.056 1.00 0.00 S ATOM 653 CE MET A 46 5.622 -7.601 -5.917 1.00 0.00 C ATOM 0 H MET A 46 8.745 -7.746 -10.581 1.00 0.00 H new ATOM 0 HA MET A 46 8.749 -7.512 -7.751 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.699 -9.501 -9.725 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.735 -9.922 -8.025 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.550 -7.272 -8.375 1.00 0.00 H new ATOM 0 HG3 MET A 46 5.732 -8.445 -9.388 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.137 -7.860 -4.976 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.670 -7.365 -5.732 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.127 -6.734 -6.354 1.00 0.00 H new ATOM 663 N ARG A 47 10.935 -9.638 -9.085 1.00 0.00 N ATOM 664 CA ARG A 47 12.072 -10.564 -8.846 1.00 0.00 C ATOM 665 C ARG A 47 13.393 -9.764 -8.682 1.00 0.00 C ATOM 666 O ARG A 47 14.478 -10.292 -8.977 1.00 0.00 O ATOM 667 CB ARG A 47 12.191 -11.582 -10.019 1.00 0.00 C ATOM 668 CG ARG A 47 13.059 -12.825 -9.714 1.00 0.00 C ATOM 669 CD ARG A 47 14.473 -12.744 -10.322 1.00 0.00 C ATOM 670 NE ARG A 47 14.440 -12.577 -11.798 1.00 0.00 N ATOM 671 CZ ARG A 47 15.085 -11.608 -12.481 1.00 0.00 C ATOM 672 NH1 ARG A 47 15.838 -10.668 -11.913 1.00 0.00 N ATOM 673 NH2 ARG A 47 14.962 -11.591 -13.796 1.00 0.00 N ATOM 0 H ARG A 47 10.760 -9.456 -10.073 1.00 0.00 H new ATOM 0 HA ARG A 47 11.888 -11.117 -7.925 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.190 -11.914 -10.296 1.00 0.00 H new ATOM 0 HB3 ARG A 47 12.608 -11.069 -10.886 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.142 -12.946 -8.634 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.557 -13.713 -10.097 1.00 0.00 H new ATOM 0 HD2 ARG A 47 15.011 -11.908 -9.875 1.00 0.00 H new ATOM 0 HD3 ARG A 47 15.026 -13.649 -10.073 1.00 0.00 H new ATOM 0 HE ARG A 47 13.888 -13.245 -12.336 1.00 0.00 H new ATOM 0 HH11 ARG A 47 15.955 -10.651 -10.900 1.00 0.00 H new ATOM 0 HH12 ARG A 47 16.298 -9.965 -12.491 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.393 -12.296 -14.264 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.436 -10.873 -14.343 1.00 0.00 H new ATOM 687 N MET A 48 13.306 -8.506 -8.213 1.00 0.00 N ATOM 688 CA MET A 48 14.493 -7.664 -7.901 1.00 0.00 C ATOM 689 C MET A 48 15.101 -8.177 -6.567 1.00 0.00 C ATOM 690 O MET A 48 16.324 -8.321 -6.446 1.00 0.00 O ATOM 691 CB MET A 48 14.132 -6.153 -7.839 1.00 0.00 C ATOM 692 CG MET A 48 14.334 -5.359 -9.144 1.00 0.00 C ATOM 693 SD MET A 48 15.589 -4.081 -8.903 1.00 0.00 S ATOM 694 CE MET A 48 16.209 -3.873 -10.585 1.00 0.00 C ATOM 0 H MET A 48 12.417 -8.038 -8.037 1.00 0.00 H new ATOM 0 HA MET A 48 15.231 -7.752 -8.698 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.088 -6.061 -7.538 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.732 -5.688 -7.057 1.00 0.00 H new ATOM 0 HG2 MET A 48 14.638 -6.032 -9.945 1.00 0.00 H new ATOM 0 HG3 MET A 48 13.393 -4.903 -9.451 1.00 0.00 H new ATOM 0 HE1 MET A 48 16.991 -3.114 -10.593 1.00 0.00 H new ATOM 0 HE2 MET A 48 16.617 -4.819 -10.942 1.00 0.00 H new ATOM 0 HE3 MET A 48 15.393 -3.561 -11.237 1.00 0.00 H new ATOM 704 N LEU A 49 14.231 -8.443 -5.574 1.00 0.00 N ATOM 705 CA LEU A 49 14.657 -8.832 -4.203 1.00 0.00 C ATOM 706 C LEU A 49 15.404 -10.190 -4.298 1.00 0.00 C ATOM 707 O LEU A 49 16.436 -10.396 -3.648 1.00 0.00 O ATOM 708 CB LEU A 49 13.434 -8.910 -3.239 1.00 0.00 C ATOM 709 CG LEU A 49 12.020 -9.034 -3.877 1.00 0.00 C ATOM 710 CD1 LEU A 49 11.862 -10.313 -4.724 1.00 0.00 C ATOM 711 CD2 LEU A 49 10.916 -8.980 -2.800 1.00 0.00 C ATOM 0 H LEU A 49 13.219 -8.397 -5.691 1.00 0.00 H new ATOM 0 HA LEU A 49 15.327 -8.079 -3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 49 13.581 -9.765 -2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 49 13.443 -8.018 -2.612 1.00 0.00 H new ATOM 0 HG LEU A 49 11.911 -8.179 -4.545 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.857 -10.349 -5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 49 12.594 -10.307 -5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 49 12.023 -11.188 -4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 49 9.939 -9.069 -3.275 1.00 0.00 H new ATOM 0 HD22 LEU A 49 11.053 -9.801 -2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.975 -8.032 -2.266 1.00 0.00 H new ATOM 723 N GLY A 50 14.850 -11.125 -5.095 1.00 0.00 N ATOM 724 CA GLY A 50 15.416 -12.488 -5.249 1.00 0.00 C ATOM 725 C GLY A 50 14.332 -13.559 -4.962 1.00 0.00 C ATOM 726 O GLY A 50 13.995 -13.820 -3.800 1.00 0.00 O ATOM 0 H GLY A 50 14.007 -10.964 -5.646 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.804 -12.616 -6.260 1.00 0.00 H new ATOM 0 HA3 GLY A 50 16.256 -12.619 -4.567 1.00 0.00 H new ATOM 730 N GLN A 51 13.819 -14.192 -6.034 1.00 0.00 N ATOM 731 CA GLN A 51 12.730 -15.200 -5.951 1.00 0.00 C ATOM 732 C GLN A 51 12.799 -16.093 -7.220 1.00 0.00 C ATOM 733 O GLN A 51 13.799 -16.079 -7.948 1.00 0.00 O ATOM 734 CB GLN A 51 11.353 -14.494 -5.791 1.00 0.00 C ATOM 735 CG GLN A 51 11.218 -13.518 -4.597 1.00 0.00 C ATOM 736 CD GLN A 51 11.115 -14.202 -3.223 1.00 0.00 C ATOM 737 OE1 GLN A 51 11.066 -15.428 -3.122 1.00 0.00 O ATOM 738 NE2 GLN A 51 11.077 -13.435 -2.143 1.00 0.00 N ATOM 0 H GLN A 51 14.144 -14.023 -6.986 1.00 0.00 H new ATOM 0 HA GLN A 51 12.853 -15.835 -5.074 1.00 0.00 H new ATOM 0 HB2 GLN A 51 11.142 -13.944 -6.708 1.00 0.00 H new ATOM 0 HB3 GLN A 51 10.584 -15.261 -5.695 1.00 0.00 H new ATOM 0 HG2 GLN A 51 12.078 -12.849 -4.592 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.334 -12.899 -4.748 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.118 -12.420 -2.237 1.00 0.00 H new ATOM 0 HE22 GLN A 51 11.007 -13.860 -1.218 1.00 0.00 H new ATOM 747 N ASN A 52 11.714 -16.845 -7.485 1.00 0.00 N ATOM 748 CA ASN A 52 11.576 -17.664 -8.718 1.00 0.00 C ATOM 749 C ASN A 52 10.113 -17.552 -9.286 1.00 0.00 C ATOM 750 O ASN A 52 9.266 -18.361 -8.892 1.00 0.00 O ATOM 751 CB ASN A 52 11.981 -19.130 -8.399 1.00 0.00 C ATOM 752 CG ASN A 52 12.508 -19.933 -9.607 1.00 0.00 C ATOM 753 OD1 ASN A 52 13.183 -19.395 -10.485 1.00 0.00 O ATOM 754 ND2 ASN A 52 12.221 -21.225 -9.675 1.00 0.00 N ATOM 0 H ASN A 52 10.911 -16.906 -6.860 1.00 0.00 H new ATOM 0 HA ASN A 52 12.242 -17.293 -9.497 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.748 -19.120 -7.625 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.117 -19.649 -7.985 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.560 -21.782 -10.459 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.661 -21.662 -8.943 1.00 0.00 H new ATOM 761 N PRO A 53 9.759 -16.560 -10.163 1.00 0.00 N ATOM 762 CA PRO A 53 8.371 -16.347 -10.645 1.00 0.00 C ATOM 763 C PRO A 53 7.979 -17.342 -11.771 1.00 0.00 C ATOM 764 O PRO A 53 8.750 -18.246 -12.115 1.00 0.00 O ATOM 765 CB PRO A 53 8.411 -14.872 -11.096 1.00 0.00 C ATOM 766 CG PRO A 53 9.857 -14.604 -11.524 1.00 0.00 C ATOM 767 CD PRO A 53 10.700 -15.512 -10.635 1.00 0.00 C ATOM 0 HA PRO A 53 7.603 -16.533 -9.894 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.720 -14.697 -11.921 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.114 -14.207 -10.285 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.006 -14.834 -12.579 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.123 -13.556 -11.385 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.531 -15.947 -11.189 1.00 0.00 H new ATOM 0 HD3 PRO A 53 11.129 -14.960 -9.799 1.00 0.00 H new ATOM 775 N THR A 54 6.775 -17.151 -12.342 1.00 0.00 N ATOM 776 CA THR A 54 6.246 -18.007 -13.437 1.00 0.00 C ATOM 777 C THR A 54 5.066 -17.264 -14.123 1.00 0.00 C ATOM 778 O THR A 54 4.372 -16.462 -13.487 1.00 0.00 O ATOM 779 CB THR A 54 5.852 -19.431 -12.933 1.00 0.00 C ATOM 780 OG1 THR A 54 5.992 -20.391 -13.977 1.00 0.00 O ATOM 781 CG2 THR A 54 4.426 -19.554 -12.362 1.00 0.00 C ATOM 0 H THR A 54 6.139 -16.404 -12.064 1.00 0.00 H new ATOM 0 HA THR A 54 7.030 -18.176 -14.175 1.00 0.00 H new ATOM 0 HB THR A 54 6.542 -19.622 -12.111 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.742 -21.277 -13.642 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.250 -20.580 -12.040 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.316 -18.882 -11.511 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.702 -19.286 -13.131 1.00 0.00 H new ATOM 789 N LYS A 55 4.875 -17.522 -15.430 1.00 0.00 N ATOM 790 CA LYS A 55 3.863 -16.814 -16.259 1.00 0.00 C ATOM 791 C LYS A 55 2.472 -17.009 -15.598 1.00 0.00 C ATOM 792 O LYS A 55 1.626 -16.107 -15.630 1.00 0.00 O ATOM 793 CB LYS A 55 3.908 -17.335 -17.728 1.00 0.00 C ATOM 794 CG LYS A 55 2.705 -18.179 -18.215 1.00 0.00 C ATOM 795 CD LYS A 55 3.067 -19.567 -18.791 1.00 0.00 C ATOM 796 CE LYS A 55 3.163 -20.695 -17.744 1.00 0.00 C ATOM 797 NZ LYS A 55 3.329 -22.034 -18.341 1.00 0.00 N ATOM 0 H LYS A 55 5.410 -18.221 -15.945 1.00 0.00 H new ATOM 0 HA LYS A 55 4.076 -15.746 -16.306 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.007 -16.474 -18.389 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.811 -17.934 -17.847 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.017 -18.317 -17.381 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.170 -17.614 -18.979 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.319 -19.843 -19.534 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.022 -19.491 -19.312 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.004 -20.494 -17.080 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.263 -20.688 -17.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.387 -22.746 -17.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.515 -22.244 -18.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.202 -22.057 -18.906 1.00 0.00 H new ATOM 811 N GLU A 56 2.252 -18.197 -15.005 1.00 0.00 N ATOM 812 CA GLU A 56 0.938 -18.585 -14.424 1.00 0.00 C ATOM 813 C GLU A 56 0.708 -17.760 -13.129 1.00 0.00 C ATOM 814 O GLU A 56 -0.407 -17.293 -12.868 1.00 0.00 O ATOM 815 CB GLU A 56 0.881 -20.124 -14.200 1.00 0.00 C ATOM 816 CG GLU A 56 -0.253 -20.886 -14.927 1.00 0.00 C ATOM 817 CD GLU A 56 -1.629 -20.740 -14.269 1.00 0.00 C ATOM 818 OE1 GLU A 56 -1.714 -20.812 -13.023 1.00 0.00 O ATOM 819 OE2 GLU A 56 -2.630 -20.550 -14.995 1.00 0.00 O ATOM 0 H GLU A 56 2.970 -18.916 -14.912 1.00 0.00 H new ATOM 0 HA GLU A 56 0.123 -18.355 -15.110 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.834 -20.550 -14.514 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.786 -20.310 -13.130 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.314 -20.529 -15.955 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.006 -21.944 -14.972 1.00 0.00 H new ATOM 826 N GLU A 57 1.776 -17.597 -12.326 1.00 0.00 N ATOM 827 CA GLU A 57 1.699 -16.931 -10.998 1.00 0.00 C ATOM 828 C GLU A 57 1.351 -15.432 -11.200 1.00 0.00 C ATOM 829 O GLU A 57 0.650 -14.830 -10.376 1.00 0.00 O ATOM 830 CB GLU A 57 3.011 -17.138 -10.186 1.00 0.00 C ATOM 831 CG GLU A 57 2.894 -17.252 -8.645 1.00 0.00 C ATOM 832 CD GLU A 57 3.530 -16.087 -7.879 1.00 0.00 C ATOM 833 OE1 GLU A 57 4.699 -15.744 -8.161 1.00 0.00 O ATOM 834 OE2 GLU A 57 2.863 -15.513 -6.990 1.00 0.00 O ATOM 0 H GLU A 57 2.713 -17.918 -12.570 1.00 0.00 H new ATOM 0 HA GLU A 57 0.906 -17.387 -10.405 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.494 -18.044 -10.554 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.679 -16.307 -10.411 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.840 -17.317 -8.376 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.363 -18.182 -8.324 1.00 0.00 H new ATOM 841 N LEU A 58 1.873 -14.835 -12.288 1.00 0.00 N ATOM 842 CA LEU A 58 1.726 -13.382 -12.566 1.00 0.00 C ATOM 843 C LEU A 58 0.226 -13.069 -12.819 1.00 0.00 C ATOM 844 O LEU A 58 -0.273 -12.009 -12.421 1.00 0.00 O ATOM 845 CB LEU A 58 2.657 -13.007 -13.756 1.00 0.00 C ATOM 846 CG LEU A 58 4.005 -12.317 -13.397 1.00 0.00 C ATOM 847 CD1 LEU A 58 3.819 -10.978 -12.651 1.00 0.00 C ATOM 848 CD2 LEU A 58 4.890 -13.262 -12.560 1.00 0.00 C ATOM 0 H LEU A 58 2.406 -15.337 -12.998 1.00 0.00 H new ATOM 0 HA LEU A 58 2.034 -12.770 -11.718 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.878 -13.916 -14.315 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.105 -12.348 -14.426 1.00 0.00 H new ATOM 0 HG LEU A 58 4.496 -12.092 -14.344 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.795 -10.547 -12.429 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.251 -10.289 -13.276 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.279 -11.152 -11.720 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.828 -12.763 -12.318 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.371 -13.525 -11.638 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.097 -14.167 -13.131 1.00 0.00 H new ATOM 860 N ASP A 59 -0.481 -14.019 -13.458 1.00 0.00 N ATOM 861 CA ASP A 59 -1.921 -13.876 -13.799 1.00 0.00 C ATOM 862 C ASP A 59 -2.743 -13.818 -12.483 1.00 0.00 C ATOM 863 O ASP A 59 -3.804 -13.182 -12.430 1.00 0.00 O ATOM 864 CB ASP A 59 -2.399 -15.008 -14.754 1.00 0.00 C ATOM 865 CG ASP A 59 -3.856 -14.912 -15.239 1.00 0.00 C ATOM 866 OD1 ASP A 59 -4.404 -13.789 -15.294 1.00 0.00 O ATOM 867 OD2 ASP A 59 -4.457 -15.962 -15.560 1.00 0.00 O ATOM 0 H ASP A 59 -0.078 -14.908 -13.755 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.077 -12.947 -14.347 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.746 -15.019 -15.627 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.268 -15.964 -14.246 1.00 0.00 H new ATOM 872 N ALA A 60 -2.249 -14.503 -11.435 1.00 0.00 N ATOM 873 CA ALA A 60 -2.906 -14.529 -10.100 1.00 0.00 C ATOM 874 C ALA A 60 -2.752 -13.148 -9.405 1.00 0.00 C ATOM 875 O ALA A 60 -3.710 -12.626 -8.823 1.00 0.00 O ATOM 876 CB ALA A 60 -2.295 -15.668 -9.260 1.00 0.00 C ATOM 0 H ALA A 60 -1.391 -15.052 -11.481 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.974 -14.720 -10.208 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.772 -15.693 -8.280 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.455 -16.620 -9.766 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.225 -15.497 -9.139 1.00 0.00 H new ATOM 882 N ILE A 61 -1.532 -12.583 -9.470 1.00 0.00 N ATOM 883 CA ILE A 61 -1.180 -11.319 -8.770 1.00 0.00 C ATOM 884 C ILE A 61 -2.196 -10.252 -9.265 1.00 0.00 C ATOM 885 O ILE A 61 -2.784 -9.522 -8.456 1.00 0.00 O ATOM 886 CB ILE A 61 0.334 -10.936 -8.972 1.00 0.00 C ATOM 887 CG1 ILE A 61 1.225 -11.332 -7.752 1.00 0.00 C ATOM 888 CG2 ILE A 61 0.528 -9.432 -9.305 1.00 0.00 C ATOM 889 CD1 ILE A 61 1.980 -10.179 -7.071 1.00 0.00 C ATOM 0 H ILE A 61 -0.761 -12.982 -10.005 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.264 -11.413 -7.687 1.00 0.00 H new ATOM 0 HB ILE A 61 0.663 -11.520 -9.832 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.594 -11.817 -7.008 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.953 -12.072 -8.083 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.590 -9.222 -9.434 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.004 -9.192 -10.225 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.135 -8.825 -8.489 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.566 -10.569 -6.238 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.646 -9.704 -7.792 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.265 -9.445 -6.699 1.00 0.00 H new ATOM 901 N ILE A 62 -2.389 -10.176 -10.594 1.00 0.00 N ATOM 902 CA ILE A 62 -3.242 -9.146 -11.247 1.00 0.00 C ATOM 903 C ILE A 62 -4.708 -9.487 -10.863 1.00 0.00 C ATOM 904 O ILE A 62 -5.539 -8.586 -10.694 1.00 0.00 O ATOM 905 CB ILE A 62 -2.966 -9.049 -12.794 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.530 -8.527 -13.119 1.00 0.00 C ATOM 907 CG2 ILE A 62 -4.024 -8.188 -13.536 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.368 -7.808 -14.469 1.00 0.00 C ATOM 0 H ILE A 62 -1.960 -10.825 -11.254 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.011 -8.140 -10.896 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.043 -10.072 -13.161 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.224 -7.844 -12.326 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.842 -9.372 -13.094 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.785 -8.155 -14.599 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.012 -8.628 -13.399 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.018 -7.176 -13.131 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.333 -7.489 -14.589 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.634 -8.488 -15.278 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.022 -6.936 -14.498 1.00 0.00 H new ATOM 920 N GLU A 63 -5.017 -10.794 -10.760 1.00 0.00 N ATOM 921 CA GLU A 63 -6.376 -11.283 -10.403 1.00 0.00 C ATOM 922 C GLU A 63 -6.871 -10.494 -9.160 1.00 0.00 C ATOM 923 O GLU A 63 -7.984 -9.955 -9.157 1.00 0.00 O ATOM 924 CB GLU A 63 -6.366 -12.825 -10.194 1.00 0.00 C ATOM 925 CG GLU A 63 -7.730 -13.547 -10.305 1.00 0.00 C ATOM 926 CD GLU A 63 -7.626 -15.032 -10.666 1.00 0.00 C ATOM 927 OE1 GLU A 63 -6.802 -15.387 -11.538 1.00 0.00 O ATOM 928 OE2 GLU A 63 -8.365 -15.852 -10.076 1.00 0.00 O ATOM 0 H GLU A 63 -4.341 -11.541 -10.919 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.079 -11.102 -11.216 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.688 -13.264 -10.926 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.950 -13.033 -9.208 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.258 -13.451 -9.356 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.335 -13.043 -11.058 1.00 0.00 H new ATOM 935 N GLU A 64 -6.038 -10.464 -8.103 1.00 0.00 N ATOM 936 CA GLU A 64 -6.377 -9.789 -6.822 1.00 0.00 C ATOM 937 C GLU A 64 -6.883 -8.355 -7.143 1.00 0.00 C ATOM 938 O GLU A 64 -8.062 -8.042 -6.940 1.00 0.00 O ATOM 939 CB GLU A 64 -5.157 -9.818 -5.858 1.00 0.00 C ATOM 940 CG GLU A 64 -4.957 -11.114 -5.037 1.00 0.00 C ATOM 941 CD GLU A 64 -5.826 -12.289 -5.497 1.00 0.00 C ATOM 942 OE1 GLU A 64 -7.001 -12.375 -5.076 1.00 0.00 O ATOM 943 OE2 GLU A 64 -5.339 -13.129 -6.286 1.00 0.00 O ATOM 0 H GLU A 64 -5.117 -10.901 -8.105 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.177 -10.313 -6.300 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.255 -9.643 -6.444 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.252 -8.984 -5.162 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.909 -11.408 -5.093 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.174 -10.904 -3.990 1.00 0.00 H new ATOM 950 N VAL A 65 -5.981 -7.509 -7.672 1.00 0.00 N ATOM 951 CA VAL A 65 -6.323 -6.138 -8.138 1.00 0.00 C ATOM 952 C VAL A 65 -7.176 -6.284 -9.428 1.00 0.00 C ATOM 953 O VAL A 65 -7.860 -7.298 -9.619 1.00 0.00 O ATOM 954 CB VAL A 65 -5.045 -5.244 -8.321 1.00 0.00 C ATOM 955 CG1 VAL A 65 -4.374 -5.371 -9.711 1.00 0.00 C ATOM 956 CG2 VAL A 65 -5.319 -3.743 -8.056 1.00 0.00 C ATOM 0 H VAL A 65 -4.997 -7.748 -7.791 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.909 -5.609 -7.387 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.359 -5.635 -7.570 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.500 -4.721 -9.754 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.067 -6.404 -9.874 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.083 -5.077 -10.485 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.400 -3.175 -8.198 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.078 -3.384 -8.751 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.672 -3.613 -7.033 1.00 0.00 H new ATOM 966 N ASP A 66 -7.127 -5.264 -10.304 1.00 0.00 N ATOM 967 CA ASP A 66 -7.888 -5.257 -11.583 1.00 0.00 C ATOM 968 C ASP A 66 -9.405 -5.180 -11.258 1.00 0.00 C ATOM 969 O ASP A 66 -10.144 -6.154 -11.441 1.00 0.00 O ATOM 970 CB ASP A 66 -7.526 -6.482 -12.473 1.00 0.00 C ATOM 971 CG ASP A 66 -7.016 -6.161 -13.888 1.00 0.00 C ATOM 972 OD1 ASP A 66 -6.272 -5.168 -14.054 1.00 0.00 O ATOM 973 OD2 ASP A 66 -7.363 -6.898 -14.838 1.00 0.00 O ATOM 0 H ASP A 66 -6.566 -4.425 -10.155 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.613 -4.381 -12.170 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.764 -7.067 -11.958 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.409 -7.115 -12.562 1.00 0.00 H new ATOM 978 N GLU A 67 -9.842 -4.011 -10.752 1.00 0.00 N ATOM 979 CA GLU A 67 -11.265 -3.747 -10.410 1.00 0.00 C ATOM 980 C GLU A 67 -12.043 -3.422 -11.713 1.00 0.00 C ATOM 981 O GLU A 67 -13.250 -3.683 -11.807 1.00 0.00 O ATOM 982 CB GLU A 67 -11.362 -2.627 -9.333 1.00 0.00 C ATOM 983 CG GLU A 67 -12.590 -2.680 -8.393 1.00 0.00 C ATOM 984 CD GLU A 67 -12.301 -2.232 -6.957 1.00 0.00 C ATOM 985 OE1 GLU A 67 -11.136 -2.335 -6.513 1.00 0.00 O ATOM 986 OE2 GLU A 67 -13.239 -1.779 -6.264 1.00 0.00 O ATOM 0 H GLU A 67 -9.225 -3.220 -10.567 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.727 -4.629 -9.966 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.461 -2.663 -8.720 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.363 -1.663 -9.842 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.378 -2.050 -8.807 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.975 -3.700 -8.373 1.00 0.00 H new ATOM 993 N ASP A 68 -11.350 -2.825 -12.704 1.00 0.00 N ATOM 994 CA ASP A 68 -11.968 -2.410 -13.993 1.00 0.00 C ATOM 995 C ASP A 68 -12.078 -3.651 -14.920 1.00 0.00 C ATOM 996 O ASP A 68 -13.004 -3.756 -15.735 1.00 0.00 O ATOM 997 CB ASP A 68 -11.192 -1.235 -14.661 1.00 0.00 C ATOM 998 CG ASP A 68 -9.694 -1.138 -14.324 1.00 0.00 C ATOM 999 OD1 ASP A 68 -8.913 -2.002 -14.782 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -9.298 -0.202 -13.596 1.00 0.00 O ATOM 0 H ASP A 68 -10.354 -2.616 -12.641 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.970 -2.025 -13.803 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.296 -1.326 -15.742 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.670 -0.299 -14.372 1.00 0.00 H new ATOM 1005 N GLY A 69 -11.142 -4.608 -14.762 1.00 0.00 N ATOM 1006 CA GLY A 69 -11.144 -5.868 -15.547 1.00 0.00 C ATOM 1007 C GLY A 69 -10.579 -5.618 -16.970 1.00 0.00 C ATOM 1008 O GLY A 69 -11.107 -6.141 -17.960 1.00 0.00 O ATOM 0 H GLY A 69 -10.372 -4.536 -14.097 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.544 -6.622 -15.038 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.159 -6.260 -15.615 1.00 0.00 H new ATOM 1012 N SER A 70 -9.502 -4.814 -17.050 1.00 0.00 N ATOM 1013 CA SER A 70 -8.781 -4.539 -18.320 1.00 0.00 C ATOM 1014 C SER A 70 -7.716 -5.641 -18.570 1.00 0.00 C ATOM 1015 O SER A 70 -7.603 -6.183 -19.676 1.00 0.00 O ATOM 1016 CB SER A 70 -8.161 -3.124 -18.264 1.00 0.00 C ATOM 1017 OG SER A 70 -7.531 -2.882 -17.009 1.00 0.00 O ATOM 0 H SER A 70 -9.104 -4.335 -16.242 1.00 0.00 H new ATOM 0 HA SER A 70 -9.474 -4.563 -19.161 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.432 -3.013 -19.066 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.937 -2.378 -18.433 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.955 -5.987 -17.512 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.917 -7.047 -17.584 1.00 0.00 C ATOM 1025 C GLY A 71 -4.502 -6.422 -17.475 1.00 0.00 C ATOM 1026 O GLY A 71 -3.576 -7.045 -16.939 1.00 0.00 O ATOM 0 H GLY A 71 -7.037 -5.550 -16.594 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.067 -7.768 -16.780 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.010 -7.593 -18.523 1.00 0.00 H new ATOM 1030 N THR A 72 -4.356 -5.187 -17.992 1.00 0.00 N ATOM 1031 CA THR A 72 -3.083 -4.421 -17.939 1.00 0.00 C ATOM 1032 C THR A 72 -3.183 -3.365 -16.804 1.00 0.00 C ATOM 1033 O THR A 72 -4.200 -3.284 -16.101 1.00 0.00 O ATOM 1034 CB THR A 72 -2.720 -3.790 -19.320 1.00 0.00 C ATOM 1035 OG1 THR A 72 -3.896 -3.362 -20.003 1.00 0.00 O ATOM 1036 CG2 THR A 72 -1.926 -4.705 -20.271 1.00 0.00 C ATOM 0 H THR A 72 -5.113 -4.687 -18.459 1.00 0.00 H new ATOM 0 HA THR A 72 -2.261 -5.100 -17.712 1.00 0.00 H new ATOM 0 HB THR A 72 -2.070 -2.953 -19.066 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.648 -2.968 -20.865 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.724 -4.175 -21.202 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.983 -4.987 -19.802 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.508 -5.602 -20.484 1.00 0.00 H new ATOM 1044 N ILE A 73 -2.131 -2.539 -16.654 1.00 0.00 N ATOM 1045 CA ILE A 73 -2.061 -1.473 -15.617 1.00 0.00 C ATOM 1046 C ILE A 73 -1.519 -0.206 -16.337 1.00 0.00 C ATOM 1047 O ILE A 73 -0.313 0.063 -16.314 1.00 0.00 O ATOM 1048 CB ILE A 73 -1.229 -1.929 -14.360 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.770 -3.249 -13.724 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -1.129 -0.820 -13.278 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -1.460 -4.541 -14.497 1.00 0.00 C ATOM 0 H ILE A 73 -1.301 -2.586 -17.245 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.039 -1.248 -15.191 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.226 -2.125 -14.739 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.358 -3.341 -12.719 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.851 -3.162 -13.618 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.545 -1.187 -12.434 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.642 0.059 -13.701 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.129 -0.552 -12.938 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.882 -5.393 -13.965 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.897 -4.482 -15.494 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.380 -4.664 -14.581 1.00 0.00 H new ATOM 1063 N ASP A 74 -2.430 0.577 -16.945 1.00 0.00 N ATOM 1064 CA ASP A 74 -2.073 1.819 -17.680 1.00 0.00 C ATOM 1065 C ASP A 74 -1.826 2.965 -16.659 1.00 0.00 C ATOM 1066 O ASP A 74 -2.135 2.835 -15.467 1.00 0.00 O ATOM 1067 CB ASP A 74 -3.154 2.188 -18.739 1.00 0.00 C ATOM 1068 CG ASP A 74 -4.559 1.609 -18.499 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -4.834 0.478 -18.955 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -5.387 2.284 -17.848 1.00 0.00 O ATOM 0 H ASP A 74 -3.430 0.374 -16.945 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.152 1.654 -18.240 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.233 3.274 -18.785 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.806 1.852 -19.716 1.00 0.00 H new ATOM 1075 N PHE A 75 -1.293 4.099 -17.151 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.976 5.280 -16.303 1.00 0.00 C ATOM 1077 C PHE A 75 -2.245 5.700 -15.512 1.00 0.00 C ATOM 1078 O PHE A 75 -2.140 6.292 -14.429 1.00 0.00 O ATOM 1079 CB PHE A 75 -0.422 6.446 -17.174 1.00 0.00 C ATOM 1080 CG PHE A 75 0.371 7.525 -16.411 1.00 0.00 C ATOM 1081 CD1 PHE A 75 0.879 7.263 -15.133 1.00 0.00 C ATOM 1082 CD2 PHE A 75 0.602 8.776 -16.995 1.00 0.00 C ATOM 1083 CE1 PHE A 75 1.614 8.233 -14.455 1.00 0.00 C ATOM 1084 CE2 PHE A 75 1.338 9.745 -16.315 1.00 0.00 C ATOM 1085 CZ PHE A 75 1.842 9.472 -15.046 1.00 0.00 C ATOM 0 H PHE A 75 -1.069 4.229 -18.138 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.197 5.019 -15.587 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.222 6.025 -17.947 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.258 6.926 -17.682 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.700 6.304 -14.670 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.208 8.991 -17.977 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.007 8.023 -13.471 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.517 10.707 -16.772 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.411 10.224 -14.519 1.00 0.00 H new ATOM 1095 N GLU A 76 -3.434 5.417 -16.074 1.00 0.00 N ATOM 1096 CA GLU A 76 -4.736 5.809 -15.471 1.00 0.00 C ATOM 1097 C GLU A 76 -5.251 4.648 -14.577 1.00 0.00 C ATOM 1098 O GLU A 76 -6.430 4.280 -14.639 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.761 6.224 -16.565 1.00 0.00 C ATOM 1100 CG GLU A 76 -5.533 5.696 -18.004 1.00 0.00 C ATOM 1101 CD GLU A 76 -4.870 6.707 -18.946 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -5.537 7.686 -19.348 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -3.682 6.524 -19.291 1.00 0.00 O ATOM 0 H GLU A 76 -3.527 4.912 -16.956 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.600 6.688 -14.841 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.749 5.897 -16.240 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.784 7.313 -16.607 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.914 4.800 -17.957 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.493 5.398 -18.426 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.340 4.067 -13.774 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.662 2.962 -12.833 1.00 0.00 C ATOM 1112 C GLU A 77 -3.551 2.870 -11.752 1.00 0.00 C ATOM 1113 O GLU A 77 -3.841 2.697 -10.561 1.00 0.00 O ATOM 1114 CB GLU A 77 -4.853 1.608 -13.576 1.00 0.00 C ATOM 1115 CG GLU A 77 -4.921 0.341 -12.691 1.00 0.00 C ATOM 1116 CD GLU A 77 -5.516 -0.868 -13.418 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -6.372 -0.679 -14.310 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -5.131 -2.015 -13.099 1.00 0.00 O ATOM 0 H GLU A 77 -3.359 4.346 -13.754 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.613 3.180 -12.346 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.771 1.666 -14.161 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.032 1.487 -14.283 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.918 0.092 -12.346 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.519 0.555 -11.805 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.281 2.985 -12.185 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.103 2.915 -11.280 1.00 0.00 C ATOM 1127 C PHE A 78 -1.284 3.961 -10.147 1.00 0.00 C ATOM 1128 O PHE A 78 -0.867 3.733 -9.005 1.00 0.00 O ATOM 1129 CB PHE A 78 0.217 3.126 -12.083 1.00 0.00 C ATOM 1130 CG PHE A 78 1.510 2.756 -11.328 1.00 0.00 C ATOM 1131 CD1 PHE A 78 1.541 1.629 -10.497 1.00 0.00 C ATOM 1132 CD2 PHE A 78 2.647 3.567 -11.423 1.00 0.00 C ATOM 1133 CE1 PHE A 78 2.700 1.302 -9.798 1.00 0.00 C ATOM 1134 CE2 PHE A 78 3.807 3.236 -10.725 1.00 0.00 C ATOM 1135 CZ PHE A 78 3.833 2.102 -9.916 1.00 0.00 C ATOM 0 H PHE A 78 -2.037 3.128 -13.165 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.031 1.927 -10.826 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.166 2.534 -12.997 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.277 4.172 -12.384 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.661 1.010 -10.398 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.625 4.453 -12.040 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.720 0.428 -9.164 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.685 3.858 -10.811 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.734 1.843 -9.379 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.869 5.123 -10.492 1.00 0.00 N ATOM 1146 CA LEU A 79 -2.109 6.244 -9.546 1.00 0.00 C ATOM 1147 C LEU A 79 -3.496 6.049 -8.871 1.00 0.00 C ATOM 1148 O LEU A 79 -4.277 7.008 -8.754 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.029 7.614 -10.288 1.00 0.00 C ATOM 1150 CG LEU A 79 -0.616 8.130 -10.687 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -0.092 7.477 -11.982 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -0.601 9.665 -10.830 1.00 0.00 C ATOM 0 H LEU A 79 -2.193 5.318 -11.439 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.337 6.246 -8.776 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.630 7.542 -11.195 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.497 8.368 -9.655 1.00 0.00 H new ATOM 0 HG LEU A 79 0.053 7.842 -9.877 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.897 7.872 -12.215 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.028 6.398 -11.845 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.774 7.699 -12.803 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.400 9.995 -11.109 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.310 9.966 -11.601 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.882 10.122 -9.881 1.00 0.00 H new ATOM 1164 N VAL A 80 -3.784 4.821 -8.404 1.00 0.00 N ATOM 1165 CA VAL A 80 -5.067 4.478 -7.731 1.00 0.00 C ATOM 1166 C VAL A 80 -4.731 3.516 -6.558 1.00 0.00 C ATOM 1167 O VAL A 80 -5.216 3.700 -5.435 1.00 0.00 O ATOM 1168 CB VAL A 80 -6.125 3.904 -8.738 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -6.268 2.366 -8.647 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -7.537 4.526 -8.601 1.00 0.00 C ATOM 0 H VAL A 80 -3.140 4.033 -8.478 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.545 5.372 -7.330 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.719 4.183 -9.710 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.013 2.027 -9.366 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.309 1.898 -8.870 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -6.582 2.089 -7.641 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.206 4.074 -9.333 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.920 4.342 -7.597 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.480 5.600 -8.776 1.00 0.00 H new ATOM 1180 N MET A 81 -3.875 2.515 -6.833 1.00 0.00 N ATOM 1181 CA MET A 81 -3.443 1.509 -5.826 1.00 0.00 C ATOM 1182 C MET A 81 -2.459 2.206 -4.847 1.00 0.00 C ATOM 1183 O MET A 81 -2.456 1.917 -3.644 1.00 0.00 O ATOM 1184 CB MET A 81 -2.814 0.259 -6.505 1.00 0.00 C ATOM 1185 CG MET A 81 -1.780 -0.514 -5.664 1.00 0.00 C ATOM 1186 SD MET A 81 -0.714 -1.495 -6.743 1.00 0.00 S ATOM 1187 CE MET A 81 -1.914 -2.163 -7.914 1.00 0.00 C ATOM 0 H MET A 81 -3.460 2.375 -7.754 1.00 0.00 H new ATOM 0 HA MET A 81 -4.304 1.139 -5.269 1.00 0.00 H new ATOM 0 HB2 MET A 81 -3.617 -0.426 -6.777 1.00 0.00 H new ATOM 0 HB3 MET A 81 -2.336 0.575 -7.432 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.178 0.184 -5.082 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.290 -1.165 -4.954 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.487 -3.030 -8.418 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.816 -2.462 -7.380 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.165 -1.401 -8.652 1.00 0.00 H new ATOM 1197 N MET A 82 -1.640 3.132 -5.379 1.00 0.00 N ATOM 1198 CA MET A 82 -0.654 3.901 -4.574 1.00 0.00 C ATOM 1199 C MET A 82 -1.403 4.963 -3.723 1.00 0.00 C ATOM 1200 O MET A 82 -0.975 5.298 -2.612 1.00 0.00 O ATOM 1201 CB MET A 82 0.410 4.539 -5.509 1.00 0.00 C ATOM 1202 CG MET A 82 1.615 3.643 -5.858 1.00 0.00 C ATOM 1203 SD MET A 82 3.037 4.036 -4.813 1.00 0.00 S ATOM 1204 CE MET A 82 4.103 2.607 -5.092 1.00 0.00 C ATOM 0 H MET A 82 -1.637 3.372 -6.370 1.00 0.00 H new ATOM 0 HA MET A 82 -0.125 3.238 -3.890 1.00 0.00 H new ATOM 0 HB2 MET A 82 -0.079 4.836 -6.437 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.781 5.449 -5.039 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.343 2.595 -5.730 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.881 3.777 -6.906 1.00 0.00 H new ATOM 0 HE1 MET A 82 5.017 2.716 -4.509 1.00 0.00 H new ATOM 0 HE2 MET A 82 3.583 1.700 -4.785 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.354 2.541 -6.151 1.00 0.00 H new ATOM 1214 N VAL A 83 -2.506 5.502 -4.276 1.00 0.00 N ATOM 1215 CA VAL A 83 -3.322 6.555 -3.614 1.00 0.00 C ATOM 1216 C VAL A 83 -3.972 5.917 -2.355 1.00 0.00 C ATOM 1217 O VAL A 83 -4.086 6.566 -1.308 1.00 0.00 O ATOM 1218 CB VAL A 83 -4.356 7.203 -4.602 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -5.827 6.787 -4.348 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -4.291 8.750 -4.609 1.00 0.00 C ATOM 0 H VAL A 83 -2.861 5.225 -5.191 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.696 7.391 -3.301 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.050 6.812 -5.572 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.475 7.279 -5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.922 5.706 -4.451 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.120 7.083 -3.341 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.028 9.142 -5.310 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.505 9.128 -3.609 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.295 9.071 -4.913 1.00 0.00 H new ATOM 1230 N ARG A 84 -4.384 4.641 -2.476 1.00 0.00 N ATOM 1231 CA ARG A 84 -5.114 3.913 -1.403 1.00 0.00 C ATOM 1232 C ARG A 84 -4.219 3.905 -0.134 1.00 0.00 C ATOM 1233 O ARG A 84 -4.645 4.344 0.941 1.00 0.00 O ATOM 1234 CB ARG A 84 -5.463 2.469 -1.861 1.00 0.00 C ATOM 1235 CG ARG A 84 -6.925 2.264 -2.324 1.00 0.00 C ATOM 1236 CD ARG A 84 -7.046 1.257 -3.484 1.00 0.00 C ATOM 1237 NE ARG A 84 -7.005 -0.147 -3.003 1.00 0.00 N ATOM 1238 CZ ARG A 84 -8.070 -0.973 -2.959 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -9.052 -0.871 -3.844 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -8.151 -1.936 -2.051 1.00 0.00 N ATOM 0 H ARG A 84 -4.225 4.081 -3.314 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.058 4.411 -1.181 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -4.797 2.193 -2.678 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.259 1.784 -1.038 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.523 1.915 -1.482 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.341 3.222 -2.635 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.979 1.430 -4.020 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.236 1.422 -4.194 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.108 -0.513 -2.683 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.009 -0.159 -4.573 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -9.850 -1.504 -3.796 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -7.401 -2.061 -1.372 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -8.964 -2.552 -2.032 1.00 0.00 H new ATOM 1254 N GLN A 85 -2.991 3.372 -0.272 1.00 0.00 N ATOM 1255 CA GLN A 85 -2.035 3.229 0.859 1.00 0.00 C ATOM 1256 C GLN A 85 -1.703 4.646 1.401 1.00 0.00 C ATOM 1257 O GLN A 85 -1.481 4.826 2.604 1.00 0.00 O ATOM 1258 CB GLN A 85 -0.768 2.454 0.398 1.00 0.00 C ATOM 1259 CG GLN A 85 -1.013 1.089 -0.290 1.00 0.00 C ATOM 1260 CD GLN A 85 -0.074 -0.038 0.177 1.00 0.00 C ATOM 1261 OE1 GLN A 85 0.786 -0.504 -0.571 1.00 0.00 O ATOM 1262 NE2 GLN A 85 -0.217 -0.501 1.410 1.00 0.00 N ATOM 0 H GLN A 85 -2.628 3.028 -1.161 1.00 0.00 H new ATOM 0 HA GLN A 85 -2.476 2.646 1.668 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -0.210 3.089 -0.290 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -0.132 2.290 1.268 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -2.044 0.785 -0.109 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -0.902 1.214 -1.367 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -0.932 -0.109 2.022 1.00 0.00 H new ATOM 0 HE22 GLN A 85 0.388 -1.250 1.747 1.00 0.00 H new ATOM 1271 N MET A 86 -1.644 5.634 0.489 1.00 0.00 N ATOM 1272 CA MET A 86 -1.254 7.031 0.816 1.00 0.00 C ATOM 1273 C MET A 86 -2.084 7.496 2.044 1.00 0.00 C ATOM 1274 O MET A 86 -1.621 8.324 2.838 1.00 0.00 O ATOM 1275 CB MET A 86 -1.440 7.971 -0.408 1.00 0.00 C ATOM 1276 CG MET A 86 -0.164 8.666 -0.921 1.00 0.00 C ATOM 1277 SD MET A 86 -0.488 10.419 -1.214 1.00 0.00 S ATOM 1278 CE MET A 86 -1.765 10.335 -2.487 1.00 0.00 C ATOM 0 H MET A 86 -1.864 5.493 -0.497 1.00 0.00 H new ATOM 0 HA MET A 86 -0.194 7.072 1.067 1.00 0.00 H new ATOM 0 HB2 MET A 86 -1.869 7.391 -1.225 1.00 0.00 H new ATOM 0 HB3 MET A 86 -2.168 8.738 -0.145 1.00 0.00 H new ATOM 0 HG2 MET A 86 0.639 8.553 -0.193 1.00 0.00 H new ATOM 0 HG3 MET A 86 0.173 8.191 -1.843 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.040 11.344 -2.794 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.385 9.784 -3.348 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.643 9.826 -2.089 1.00 0.00 H new ATOM 1288 N LYS A 87 -3.320 6.977 2.167 1.00 0.00 N ATOM 1289 CA LYS A 87 -4.249 7.323 3.276 1.00 0.00 C ATOM 1290 C LYS A 87 -3.469 7.253 4.617 1.00 0.00 C ATOM 1291 O LYS A 87 -3.026 8.282 5.143 1.00 0.00 O ATOM 1292 CB LYS A 87 -5.473 6.365 3.328 1.00 0.00 C ATOM 1293 CG LYS A 87 -6.748 6.873 2.614 1.00 0.00 C ATOM 1294 CD LYS A 87 -7.899 7.294 3.551 1.00 0.00 C ATOM 1295 CE LYS A 87 -9.238 6.572 3.300 1.00 0.00 C ATOM 1296 NZ LYS A 87 -9.520 5.580 4.352 1.00 0.00 N ATOM 0 H LYS A 87 -3.709 6.306 1.505 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.632 8.329 3.106 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.185 5.412 2.885 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.716 6.171 4.373 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.480 7.724 1.988 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.110 6.089 1.949 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.593 7.114 4.582 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.057 8.368 3.449 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.046 7.303 3.262 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.210 6.077 2.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.427 5.112 4.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.761 4.869 4.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.571 6.057 5.275 1.00 0.00 H new ATOM 1310 N GLU A 88 -3.311 6.031 5.157 1.00 0.00 N ATOM 1311 CA GLU A 88 -2.590 5.794 6.436 1.00 0.00 C ATOM 1312 C GLU A 88 -1.444 4.780 6.171 1.00 0.00 C ATOM 1313 O GLU A 88 -1.686 3.577 6.018 1.00 0.00 O ATOM 1314 CB GLU A 88 -3.585 5.335 7.541 1.00 0.00 C ATOM 1315 CG GLU A 88 -4.800 4.497 7.074 1.00 0.00 C ATOM 1316 CD GLU A 88 -5.964 4.472 8.070 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -5.760 4.836 9.249 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -7.088 4.090 7.677 1.00 0.00 O ATOM 0 H GLU A 88 -3.674 5.180 4.728 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.140 6.714 6.810 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.032 4.752 8.277 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.959 6.222 8.053 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.158 4.894 6.124 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.472 3.474 6.889 1.00 0.00 H new ATOM 1325 N ASP A 89 -0.197 5.285 6.150 1.00 0.00 N ATOM 1326 CA ASP A 89 1.020 4.444 6.000 1.00 0.00 C ATOM 1327 C ASP A 89 1.987 4.752 7.176 1.00 0.00 C ATOM 1328 O ASP A 89 2.948 5.513 7.022 1.00 0.00 O ATOM 1329 CB ASP A 89 1.688 4.642 4.608 1.00 0.00 C ATOM 1330 CG ASP A 89 2.197 6.060 4.299 1.00 0.00 C ATOM 1331 OD1 ASP A 89 1.564 7.041 4.746 1.00 0.00 O ATOM 1332 OD2 ASP A 89 3.235 6.195 3.613 1.00 0.00 O ATOM 0 H ASP A 89 0.002 6.282 6.236 1.00 0.00 H new ATOM 0 HA ASP A 89 0.744 3.390 6.043 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.527 3.951 4.528 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.969 4.360 3.839 1.00 0.00 H new ATOM 1337 N ALA A 90 1.694 4.171 8.355 1.00 0.00 N ATOM 1338 CA ALA A 90 2.541 4.322 9.568 1.00 0.00 C ATOM 1339 C ALA A 90 2.352 3.081 10.461 1.00 0.00 C ATOM 1340 O ALA A 90 3.337 2.683 11.158 1.00 0.00 O ATOM 1341 CB ALA A 90 2.202 5.630 10.313 1.00 0.00 C ATOM 1342 OXT ALA A 90 1.232 2.483 10.488 1.00 0.00 O ATOM 0 H ALA A 90 0.871 3.586 8.500 1.00 0.00 H new ATOM 0 HA ALA A 90 3.591 4.390 9.284 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.834 5.720 11.197 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.378 6.480 9.654 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.155 5.616 10.615 1.00 0.00 H new TER 1348 ALA A 90 HETATM 1349 CA CA A 91 4.523 -2.239 -22.214 1.00 0.00 CA HETATM 1350 CA CA A 92 -6.551 -2.871 -15.170 1.00 0.00 CA