USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 505 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 41 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.087) USER MOD Set 1.2: A 57 ASN : amide:sc= 0 K(o=-0.3,f=-1.4) USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0892 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 27:sc= 0.998 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot -28:sc= -1.48 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -1.04 K(o=-1,f=-13!) USER MOD Single : A 27 LYS NZ :NH3+ -116:sc= -0.331 (180deg=-2.09!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -60:sc= 0.876 USER MOD Single : A 36 ASN : amide:sc= -0.0811 X(o=-0.081,f=-0.081) USER MOD Single : A 37 GLN : amide:sc= -1.62! X(o=-1.6!,f=-2.1) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.0562 X(o=-0.056,f=-0.14) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.0511 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.108 -11.263 10.789 1.00 0.00 N ATOM 2 CA GLY A 1 8.965 -10.356 10.047 1.00 0.00 C ATOM 3 C GLY A 1 10.351 -10.246 10.650 1.00 0.00 C ATOM 4 O GLY A 1 10.707 -11.009 11.548 1.00 0.00 O ATOM 0 H1 GLY A 1 7.613 -11.894 10.126 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.686 -11.831 11.441 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.410 -10.715 11.332 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.047 -10.700 9.016 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.505 -9.368 10.018 1.00 0.00 H new ATOM 8 N SER A 2 11.137 -9.296 10.155 1.00 0.00 N ATOM 9 CA SER A 2 12.494 -9.092 10.646 1.00 0.00 C ATOM 10 C SER A 2 12.494 -8.218 11.897 1.00 0.00 C ATOM 11 O SER A 2 11.967 -7.106 11.891 1.00 0.00 O ATOM 12 CB SER A 2 13.361 -8.449 9.562 1.00 0.00 C ATOM 13 OG SER A 2 14.739 -8.573 9.870 1.00 0.00 O ATOM 0 H SER A 2 10.857 -8.655 9.413 1.00 0.00 H new ATOM 0 HA SER A 2 12.910 -10.066 10.904 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.156 -8.921 8.601 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.101 -7.395 9.462 1.00 0.00 H new ATOM 0 HG SER A 2 15.272 -8.156 9.161 1.00 0.00 H new ATOM 19 N SER A 3 13.088 -8.731 12.970 1.00 0.00 N ATOM 20 CA SER A 3 13.154 -8.001 14.230 1.00 0.00 C ATOM 21 C SER A 3 13.634 -6.570 14.004 1.00 0.00 C ATOM 22 O SER A 3 14.827 -6.323 13.837 1.00 0.00 O ATOM 23 CB SER A 3 14.087 -8.715 15.210 1.00 0.00 C ATOM 24 OG SER A 3 13.504 -9.915 15.686 1.00 0.00 O ATOM 0 H SER A 3 13.530 -9.650 12.991 1.00 0.00 H new ATOM 0 HA SER A 3 12.151 -7.967 14.654 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.034 -8.937 14.719 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.310 -8.057 16.050 1.00 0.00 H new ATOM 0 HG SER A 3 14.120 -10.353 16.309 1.00 0.00 H new ATOM 30 N GLY A 4 12.693 -5.630 14.001 1.00 0.00 N ATOM 31 CA GLY A 4 13.038 -4.236 13.795 1.00 0.00 C ATOM 32 C GLY A 4 12.438 -3.672 12.523 1.00 0.00 C ATOM 33 O GLY A 4 13.041 -3.758 11.453 1.00 0.00 O ATOM 0 H GLY A 4 11.698 -5.810 14.138 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.693 -3.650 14.647 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.123 -4.135 13.757 1.00 0.00 H new ATOM 37 N SER A 5 11.246 -3.095 12.637 1.00 0.00 N ATOM 38 CA SER A 5 10.561 -2.520 11.485 1.00 0.00 C ATOM 39 C SER A 5 10.420 -1.009 11.636 1.00 0.00 C ATOM 40 O SER A 5 9.751 -0.525 12.549 1.00 0.00 O ATOM 41 CB SER A 5 9.181 -3.158 11.314 1.00 0.00 C ATOM 42 OG SER A 5 8.298 -2.746 12.343 1.00 0.00 O ATOM 0 H SER A 5 10.734 -3.013 13.516 1.00 0.00 H new ATOM 0 HA SER A 5 11.160 -2.725 10.598 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.767 -2.883 10.344 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.275 -4.244 11.324 1.00 0.00 H new ATOM 0 HG SER A 5 8.576 -1.869 12.681 1.00 0.00 H new ATOM 48 N SER A 6 11.055 -0.268 10.733 1.00 0.00 N ATOM 49 CA SER A 6 11.004 1.189 10.767 1.00 0.00 C ATOM 50 C SER A 6 10.506 1.746 9.437 1.00 0.00 C ATOM 51 O SER A 6 10.990 1.366 8.372 1.00 0.00 O ATOM 52 CB SER A 6 12.386 1.761 11.088 1.00 0.00 C ATOM 53 OG SER A 6 12.579 1.876 12.487 1.00 0.00 O ATOM 0 H SER A 6 11.611 -0.653 9.969 1.00 0.00 H new ATOM 0 HA SER A 6 10.305 1.486 11.549 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.157 1.118 10.663 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.495 2.740 10.621 1.00 0.00 H new ATOM 0 HG SER A 6 13.470 2.242 12.665 1.00 0.00 H new ATOM 59 N GLY A 7 9.534 2.651 9.508 1.00 0.00 N ATOM 60 CA GLY A 7 8.986 3.246 8.303 1.00 0.00 C ATOM 61 C GLY A 7 7.504 2.971 8.143 1.00 0.00 C ATOM 62 O GLY A 7 6.969 2.003 8.684 1.00 0.00 O ATOM 0 H GLY A 7 9.117 2.982 10.378 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.152 4.323 8.325 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.520 2.859 7.435 1.00 0.00 H new ATOM 66 N PRO A 8 6.816 3.838 7.386 1.00 0.00 N ATOM 67 CA PRO A 8 5.377 3.705 7.139 1.00 0.00 C ATOM 68 C PRO A 8 5.049 2.514 6.246 1.00 0.00 C ATOM 69 O PRO A 8 5.527 2.424 5.114 1.00 0.00 O ATOM 70 CB PRO A 8 5.015 5.016 6.437 1.00 0.00 C ATOM 71 CG PRO A 8 6.283 5.466 5.798 1.00 0.00 C ATOM 72 CD PRO A 8 7.389 5.015 6.711 1.00 0.00 C ATOM 0 HA PRO A 8 4.820 3.531 8.060 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.230 4.865 5.696 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.645 5.756 7.147 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.395 5.031 4.805 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.295 6.549 5.675 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.291 4.760 6.154 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.664 5.793 7.424 1.00 0.00 H new ATOM 80 N CYS A 9 4.233 1.601 6.761 1.00 0.00 N ATOM 81 CA CYS A 9 3.842 0.414 6.009 1.00 0.00 C ATOM 82 C CYS A 9 2.372 0.082 6.244 1.00 0.00 C ATOM 83 O CYS A 9 1.735 0.636 7.140 1.00 0.00 O ATOM 84 CB CYS A 9 4.716 -0.777 6.406 1.00 0.00 C ATOM 85 SG CYS A 9 4.434 -1.371 8.090 1.00 0.00 S ATOM 0 H CYS A 9 3.829 1.660 7.696 1.00 0.00 H new ATOM 0 HA CYS A 9 3.984 0.622 4.949 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.535 -1.595 5.709 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.764 -0.495 6.302 1.00 0.00 H new ATOM 0 HG CYS A 9 5.217 -2.380 8.331 1.00 0.00 H new ATOM 91 N CYS A 10 1.839 -0.824 5.431 1.00 0.00 N ATOM 92 CA CYS A 10 0.442 -1.228 5.549 1.00 0.00 C ATOM 93 C CYS A 10 0.263 -2.689 5.148 1.00 0.00 C ATOM 94 O CYS A 10 0.853 -3.152 4.172 1.00 0.00 O ATOM 95 CB CYS A 10 -0.444 -0.336 4.677 1.00 0.00 C ATOM 96 SG CYS A 10 0.022 -0.316 2.930 1.00 0.00 S ATOM 0 H CYS A 10 2.352 -1.292 4.684 1.00 0.00 H new ATOM 0 HA CYS A 10 0.144 -1.116 6.592 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.477 -0.673 4.763 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.408 0.683 5.063 1.00 0.00 H new ATOM 0 HG CYS A 10 1.297 -0.546 2.818 1.00 0.00 H new ATOM 102 N ARG A 11 -0.552 -3.410 5.910 1.00 0.00 N ATOM 103 CA ARG A 11 -0.806 -4.820 5.637 1.00 0.00 C ATOM 104 C ARG A 11 -2.099 -4.996 4.846 1.00 0.00 C ATOM 105 O ARG A 11 -3.019 -4.184 4.952 1.00 0.00 O ATOM 106 CB ARG A 11 -0.884 -5.609 6.945 1.00 0.00 C ATOM 107 CG ARG A 11 -1.270 -7.067 6.754 1.00 0.00 C ATOM 108 CD ARG A 11 -1.734 -7.695 8.059 1.00 0.00 C ATOM 109 NE ARG A 11 -0.625 -8.281 8.808 1.00 0.00 N ATOM 110 CZ ARG A 11 -0.654 -8.492 10.119 1.00 0.00 C ATOM 111 NH1 ARG A 11 -1.730 -8.167 10.823 1.00 0.00 N ATOM 112 NH2 ARG A 11 0.394 -9.030 10.730 1.00 0.00 N ATOM 0 H ARG A 11 -1.048 -3.042 6.722 1.00 0.00 H new ATOM 0 HA ARG A 11 0.021 -5.203 5.039 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.082 -5.560 7.447 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.610 -5.133 7.604 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.064 -7.140 6.011 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.417 -7.623 6.364 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.225 -6.939 8.671 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.476 -8.465 7.847 1.00 0.00 H new ATOM 0 HE ARG A 11 0.218 -8.542 8.296 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.538 -7.754 10.358 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.749 -8.330 11.830 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.224 -9.282 10.193 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.370 -9.191 11.737 1.00 0.00 H new ATOM 126 N ALA A 12 -2.162 -6.061 4.054 1.00 0.00 N ATOM 127 CA ALA A 12 -3.343 -6.345 3.247 1.00 0.00 C ATOM 128 C ALA A 12 -4.396 -7.091 4.058 1.00 0.00 C ATOM 129 O ALA A 12 -4.077 -7.762 5.041 1.00 0.00 O ATOM 130 CB ALA A 12 -2.958 -7.147 2.013 1.00 0.00 C ATOM 0 H ALA A 12 -1.409 -6.742 3.954 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.773 -5.395 2.930 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.849 -7.352 1.420 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.247 -6.576 1.415 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.501 -8.088 2.319 1.00 0.00 H new ATOM 136 N LEU A 13 -5.652 -6.971 3.642 1.00 0.00 N ATOM 137 CA LEU A 13 -6.753 -7.634 4.331 1.00 0.00 C ATOM 138 C LEU A 13 -7.344 -8.746 3.470 1.00 0.00 C ATOM 139 O LEU A 13 -7.943 -9.691 3.983 1.00 0.00 O ATOM 140 CB LEU A 13 -7.841 -6.620 4.691 1.00 0.00 C ATOM 141 CG LEU A 13 -7.477 -5.600 5.771 1.00 0.00 C ATOM 142 CD1 LEU A 13 -8.455 -4.436 5.757 1.00 0.00 C ATOM 143 CD2 LEU A 13 -7.451 -6.261 7.141 1.00 0.00 C ATOM 0 H LEU A 13 -5.933 -6.420 2.831 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.361 -8.077 5.246 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.118 -6.078 3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.725 -7.167 5.019 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.481 -5.213 5.557 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.180 -3.721 6.532 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.424 -3.946 4.784 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.463 -4.805 5.945 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.190 -5.521 7.897 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.434 -6.676 7.363 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.710 -7.060 7.145 1.00 0.00 H new ATOM 155 N TYR A 14 -7.168 -8.627 2.158 1.00 0.00 N ATOM 156 CA TYR A 14 -7.683 -9.622 1.225 1.00 0.00 C ATOM 157 C TYR A 14 -6.696 -9.866 0.089 1.00 0.00 C ATOM 158 O TYR A 14 -5.686 -9.172 -0.031 1.00 0.00 O ATOM 159 CB TYR A 14 -9.030 -9.170 0.657 1.00 0.00 C ATOM 160 CG TYR A 14 -10.134 -9.114 1.689 1.00 0.00 C ATOM 161 CD1 TYR A 14 -10.918 -10.229 1.958 1.00 0.00 C ATOM 162 CD2 TYR A 14 -10.393 -7.946 2.395 1.00 0.00 C ATOM 163 CE1 TYR A 14 -11.928 -10.182 2.899 1.00 0.00 C ATOM 164 CE2 TYR A 14 -11.400 -7.890 3.339 1.00 0.00 C ATOM 165 CZ TYR A 14 -12.165 -9.011 3.587 1.00 0.00 C ATOM 166 OH TYR A 14 -13.170 -8.960 4.526 1.00 0.00 O ATOM 0 H TYR A 14 -6.673 -7.852 1.717 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.820 -10.556 1.769 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.913 -8.184 0.208 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.325 -9.851 -0.142 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -10.735 -11.148 1.422 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.797 -7.066 2.203 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -12.529 -11.058 3.095 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -11.587 -6.974 3.880 1.00 0.00 H new ATOM 0 HH TYR A 14 -13.204 -8.063 4.920 1.00 0.00 H new ATOM 176 N ASP A 15 -6.995 -10.857 -0.744 1.00 0.00 N ATOM 177 CA ASP A 15 -6.136 -11.193 -1.873 1.00 0.00 C ATOM 178 C ASP A 15 -6.562 -10.432 -3.126 1.00 0.00 C ATOM 179 O ASP A 15 -7.707 -10.532 -3.566 1.00 0.00 O ATOM 180 CB ASP A 15 -6.173 -12.699 -2.139 1.00 0.00 C ATOM 181 CG ASP A 15 -7.556 -13.185 -2.525 1.00 0.00 C ATOM 182 OD1 ASP A 15 -8.495 -13.002 -1.721 1.00 0.00 O ATOM 183 OD2 ASP A 15 -7.699 -13.748 -3.630 1.00 0.00 O ATOM 0 H ASP A 15 -7.826 -11.442 -0.658 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.116 -10.901 -1.621 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.470 -12.942 -2.936 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.840 -13.231 -1.248 1.00 0.00 H new ATOM 188 N PHE A 16 -5.632 -9.672 -3.694 1.00 0.00 N ATOM 189 CA PHE A 16 -5.911 -8.892 -4.895 1.00 0.00 C ATOM 190 C PHE A 16 -4.978 -9.294 -6.033 1.00 0.00 C ATOM 191 O PHE A 16 -3.806 -9.594 -5.811 1.00 0.00 O ATOM 192 CB PHE A 16 -5.765 -7.397 -4.603 1.00 0.00 C ATOM 193 CG PHE A 16 -5.831 -6.538 -5.833 1.00 0.00 C ATOM 194 CD1 PHE A 16 -6.988 -6.480 -6.593 1.00 0.00 C ATOM 195 CD2 PHE A 16 -4.736 -5.787 -6.229 1.00 0.00 C ATOM 196 CE1 PHE A 16 -7.052 -5.690 -7.725 1.00 0.00 C ATOM 197 CE2 PHE A 16 -4.794 -4.995 -7.361 1.00 0.00 C ATOM 198 CZ PHE A 16 -5.953 -4.946 -8.109 1.00 0.00 C ATOM 0 H PHE A 16 -4.679 -9.579 -3.343 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.937 -9.096 -5.201 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.551 -7.091 -3.913 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.814 -7.224 -4.099 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.850 -7.059 -6.297 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.827 -5.821 -5.647 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -7.960 -5.654 -8.309 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.933 -4.415 -7.660 1.00 0.00 H new ATOM 0 HZ PHE A 16 -6.001 -4.327 -8.993 1.00 0.00 H new ATOM 208 N GLU A 17 -5.508 -9.297 -7.252 1.00 0.00 N ATOM 209 CA GLU A 17 -4.723 -9.663 -8.425 1.00 0.00 C ATOM 210 C GLU A 17 -4.551 -8.468 -9.359 1.00 0.00 C ATOM 211 O GLU A 17 -5.451 -7.645 -9.527 1.00 0.00 O ATOM 212 CB GLU A 17 -5.392 -10.818 -9.174 1.00 0.00 C ATOM 213 CG GLU A 17 -5.150 -12.176 -8.538 1.00 0.00 C ATOM 214 CD GLU A 17 -5.503 -13.325 -9.464 1.00 0.00 C ATOM 215 OE1 GLU A 17 -6.606 -13.300 -10.047 1.00 0.00 O ATOM 216 OE2 GLU A 17 -4.674 -14.248 -9.605 1.00 0.00 O ATOM 0 H GLU A 17 -6.477 -9.050 -7.453 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.737 -9.982 -8.086 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.465 -10.635 -9.223 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.025 -10.836 -10.200 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.102 -12.256 -8.249 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.740 -12.256 -7.625 1.00 0.00 H new ATOM 223 N PRO A 18 -3.367 -8.370 -9.982 1.00 0.00 N ATOM 224 CA PRO A 18 -3.049 -7.281 -10.909 1.00 0.00 C ATOM 225 C PRO A 18 -3.836 -7.379 -12.211 1.00 0.00 C ATOM 226 O PRO A 18 -4.010 -8.466 -12.761 1.00 0.00 O ATOM 227 CB PRO A 18 -1.552 -7.466 -11.173 1.00 0.00 C ATOM 228 CG PRO A 18 -1.300 -8.913 -10.923 1.00 0.00 C ATOM 229 CD PRO A 18 -2.249 -9.316 -9.828 1.00 0.00 C ATOM 0 HA PRO A 18 -3.306 -6.306 -10.495 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -1.293 -7.190 -12.195 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -0.953 -6.840 -10.512 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.473 -9.501 -11.825 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -0.265 -9.083 -10.625 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.578 -10.349 -9.941 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.786 -9.235 -8.845 1.00 0.00 H new ATOM 237 N GLU A 19 -4.309 -6.237 -12.699 1.00 0.00 N ATOM 238 CA GLU A 19 -5.078 -6.196 -13.938 1.00 0.00 C ATOM 239 C GLU A 19 -4.166 -5.956 -15.137 1.00 0.00 C ATOM 240 O GLU A 19 -4.351 -6.549 -16.199 1.00 0.00 O ATOM 241 CB GLU A 19 -6.144 -5.100 -13.866 1.00 0.00 C ATOM 242 CG GLU A 19 -7.176 -5.325 -12.774 1.00 0.00 C ATOM 243 CD GLU A 19 -8.011 -6.568 -13.008 1.00 0.00 C ATOM 244 OE1 GLU A 19 -8.103 -7.011 -14.172 1.00 0.00 O ATOM 245 OE2 GLU A 19 -8.574 -7.098 -12.027 1.00 0.00 O ATOM 0 H GLU A 19 -4.174 -5.328 -12.256 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.568 -7.162 -14.064 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.655 -4.140 -13.700 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.653 -5.036 -14.828 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.670 -5.408 -11.812 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.832 -4.457 -12.715 1.00 0.00 H new ATOM 252 N ASN A 20 -3.181 -5.082 -14.959 1.00 0.00 N ATOM 253 CA ASN A 20 -2.240 -4.763 -16.026 1.00 0.00 C ATOM 254 C ASN A 20 -0.830 -4.581 -15.472 1.00 0.00 C ATOM 255 O ASN A 20 -0.610 -4.679 -14.265 1.00 0.00 O ATOM 256 CB ASN A 20 -2.679 -3.493 -16.758 1.00 0.00 C ATOM 257 CG ASN A 20 -2.844 -2.313 -15.821 1.00 0.00 C ATOM 258 OD1 ASN A 20 -1.933 -1.973 -15.065 1.00 0.00 O ATOM 259 ND2 ASN A 20 -4.012 -1.681 -15.865 1.00 0.00 N ATOM 0 H ASN A 20 -3.014 -4.582 -14.086 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.231 -5.596 -16.729 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.943 -3.245 -17.523 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.622 -3.680 -17.271 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.182 -0.880 -15.257 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.739 -1.997 -16.507 1.00 0.00 H new ATOM 266 N GLU A 21 0.121 -4.317 -16.363 1.00 0.00 N ATOM 267 CA GLU A 21 1.509 -4.123 -15.963 1.00 0.00 C ATOM 268 C GLU A 21 1.621 -3.036 -14.898 1.00 0.00 C ATOM 269 O GLU A 21 2.574 -3.009 -14.120 1.00 0.00 O ATOM 270 CB GLU A 21 2.366 -3.754 -17.175 1.00 0.00 C ATOM 271 CG GLU A 21 2.699 -4.937 -18.068 1.00 0.00 C ATOM 272 CD GLU A 21 3.158 -4.515 -19.450 1.00 0.00 C ATOM 273 OE1 GLU A 21 4.198 -3.829 -19.546 1.00 0.00 O ATOM 274 OE2 GLU A 21 2.478 -4.870 -20.436 1.00 0.00 O ATOM 0 H GLU A 21 -0.045 -4.233 -17.366 1.00 0.00 H new ATOM 0 HA GLU A 21 1.873 -5.060 -15.542 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.842 -3.001 -17.764 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.294 -3.299 -16.828 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.480 -5.534 -17.597 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.821 -5.576 -18.161 1.00 0.00 H new ATOM 281 N GLY A 22 0.639 -2.139 -14.869 1.00 0.00 N ATOM 282 CA GLY A 22 0.646 -1.062 -13.897 1.00 0.00 C ATOM 283 C GLY A 22 -0.188 -1.381 -12.673 1.00 0.00 C ATOM 284 O GLY A 22 -0.915 -0.525 -12.170 1.00 0.00 O ATOM 0 H GLY A 22 -0.161 -2.140 -15.502 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.672 -0.860 -13.591 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.267 -0.153 -14.364 1.00 0.00 H new ATOM 288 N GLU A 23 -0.084 -2.616 -12.193 1.00 0.00 N ATOM 289 CA GLU A 23 -0.837 -3.046 -11.020 1.00 0.00 C ATOM 290 C GLU A 23 0.012 -3.946 -10.128 1.00 0.00 C ATOM 291 O GLU A 23 0.627 -4.904 -10.598 1.00 0.00 O ATOM 292 CB GLU A 23 -2.108 -3.783 -11.446 1.00 0.00 C ATOM 293 CG GLU A 23 -3.133 -2.889 -12.124 1.00 0.00 C ATOM 294 CD GLU A 23 -3.986 -2.124 -11.132 1.00 0.00 C ATOM 295 OE1 GLU A 23 -4.866 -2.746 -10.501 1.00 0.00 O ATOM 296 OE2 GLU A 23 -3.774 -0.902 -10.986 1.00 0.00 O ATOM 0 H GLU A 23 0.514 -3.336 -12.598 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.113 -2.158 -10.451 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.838 -4.592 -12.125 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.563 -4.242 -10.568 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.619 -2.183 -12.776 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.777 -3.498 -12.758 1.00 0.00 H new ATOM 303 N LEU A 24 0.041 -3.631 -8.837 1.00 0.00 N ATOM 304 CA LEU A 24 0.815 -4.411 -7.877 1.00 0.00 C ATOM 305 C LEU A 24 -0.099 -5.272 -7.012 1.00 0.00 C ATOM 306 O LEU A 24 -0.715 -4.785 -6.065 1.00 0.00 O ATOM 307 CB LEU A 24 1.649 -3.483 -6.992 1.00 0.00 C ATOM 308 CG LEU A 24 2.535 -4.167 -5.950 1.00 0.00 C ATOM 309 CD1 LEU A 24 3.807 -4.695 -6.596 1.00 0.00 C ATOM 310 CD2 LEU A 24 2.869 -3.206 -4.819 1.00 0.00 C ATOM 0 H LEU A 24 -0.462 -2.842 -8.431 1.00 0.00 H new ATOM 0 HA LEU A 24 1.482 -5.069 -8.434 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.283 -2.873 -7.635 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.973 -2.803 -6.474 1.00 0.00 H new ATOM 0 HG LEU A 24 1.986 -5.011 -5.532 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.425 -5.179 -5.840 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.549 -5.418 -7.370 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.359 -3.868 -7.042 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.500 -3.710 -4.087 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.398 -2.342 -5.220 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.948 -2.876 -4.338 1.00 0.00 H new ATOM 322 N GLY A 25 -0.181 -6.557 -7.344 1.00 0.00 N ATOM 323 CA GLY A 25 -1.021 -7.467 -6.586 1.00 0.00 C ATOM 324 C GLY A 25 -0.428 -7.814 -5.235 1.00 0.00 C ATOM 325 O GLY A 25 0.778 -8.034 -5.116 1.00 0.00 O ATOM 0 H GLY A 25 0.319 -6.984 -8.124 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.003 -7.016 -6.443 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.170 -8.382 -7.160 1.00 0.00 H new ATOM 329 N PHE A 26 -1.276 -7.861 -4.213 1.00 0.00 N ATOM 330 CA PHE A 26 -0.829 -8.181 -2.862 1.00 0.00 C ATOM 331 C PHE A 26 -1.531 -9.430 -2.338 1.00 0.00 C ATOM 332 O PHE A 26 -2.441 -9.959 -2.977 1.00 0.00 O ATOM 333 CB PHE A 26 -1.091 -7.002 -1.923 1.00 0.00 C ATOM 334 CG PHE A 26 -2.487 -6.457 -2.021 1.00 0.00 C ATOM 335 CD1 PHE A 26 -3.579 -7.253 -1.714 1.00 0.00 C ATOM 336 CD2 PHE A 26 -2.708 -5.148 -2.420 1.00 0.00 C ATOM 337 CE1 PHE A 26 -4.865 -6.754 -1.803 1.00 0.00 C ATOM 338 CE2 PHE A 26 -3.992 -4.644 -2.510 1.00 0.00 C ATOM 339 CZ PHE A 26 -5.072 -5.448 -2.202 1.00 0.00 C ATOM 0 H PHE A 26 -2.277 -7.682 -4.294 1.00 0.00 H new ATOM 0 HA PHE A 26 0.243 -8.377 -2.897 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.904 -7.317 -0.896 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.382 -6.205 -2.147 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.423 -8.275 -1.402 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.868 -4.515 -2.663 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.707 -7.385 -1.561 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.151 -3.622 -2.821 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.076 -5.056 -2.273 1.00 0.00 H new ATOM 349 N LYS A 27 -1.102 -9.896 -1.170 1.00 0.00 N ATOM 350 CA LYS A 27 -1.689 -11.082 -0.558 1.00 0.00 C ATOM 351 C LYS A 27 -2.193 -10.775 0.848 1.00 0.00 C ATOM 352 O LYS A 27 -1.710 -9.852 1.503 1.00 0.00 O ATOM 353 CB LYS A 27 -0.662 -12.216 -0.506 1.00 0.00 C ATOM 354 CG LYS A 27 -0.686 -13.115 -1.730 1.00 0.00 C ATOM 355 CD LYS A 27 -1.598 -14.313 -1.524 1.00 0.00 C ATOM 356 CE LYS A 27 -3.015 -14.022 -1.995 1.00 0.00 C ATOM 357 NZ LYS A 27 -3.068 -13.755 -3.459 1.00 0.00 N ATOM 0 H LYS A 27 -0.350 -9.470 -0.628 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.536 -11.394 -1.169 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.335 -11.788 -0.400 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.845 -12.821 0.382 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.023 -12.544 -2.595 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.325 -13.459 -1.950 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.202 -15.171 -2.067 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.613 -14.583 -0.468 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.658 -14.869 -1.757 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.408 -13.161 -1.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.380 -12.776 -3.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.123 -13.891 -3.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.739 -14.411 -3.907 1.00 0.00 H new ATOM 371 N GLU A 28 -3.167 -11.556 1.307 1.00 0.00 N ATOM 372 CA GLU A 28 -3.736 -11.366 2.636 1.00 0.00 C ATOM 373 C GLU A 28 -2.645 -11.387 3.703 1.00 0.00 C ATOM 374 O GLU A 28 -1.928 -12.375 3.855 1.00 0.00 O ATOM 375 CB GLU A 28 -4.773 -12.452 2.931 1.00 0.00 C ATOM 376 CG GLU A 28 -5.442 -12.302 4.286 1.00 0.00 C ATOM 377 CD GLU A 28 -6.500 -13.360 4.535 1.00 0.00 C ATOM 378 OE1 GLU A 28 -6.401 -14.450 3.933 1.00 0.00 O ATOM 379 OE2 GLU A 28 -7.426 -13.099 5.331 1.00 0.00 O ATOM 0 H GLU A 28 -3.578 -12.325 0.778 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.224 -10.392 2.658 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.537 -12.434 2.154 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.290 -13.428 2.880 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.686 -12.359 5.069 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.898 -11.314 4.354 1.00 0.00 H new ATOM 386 N GLY A 29 -2.524 -10.286 4.439 1.00 0.00 N ATOM 387 CA GLY A 29 -1.519 -10.198 5.481 1.00 0.00 C ATOM 388 C GLY A 29 -0.148 -9.846 4.937 1.00 0.00 C ATOM 389 O GLY A 29 0.872 -10.203 5.526 1.00 0.00 O ATOM 0 H GLY A 29 -3.104 -9.454 4.332 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.821 -9.446 6.210 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.463 -11.150 6.009 1.00 0.00 H new ATOM 393 N ASP A 30 -0.124 -9.146 3.808 1.00 0.00 N ATOM 394 CA ASP A 30 1.131 -8.746 3.183 1.00 0.00 C ATOM 395 C ASP A 30 1.400 -7.261 3.405 1.00 0.00 C ATOM 396 O ASP A 30 0.622 -6.409 2.977 1.00 0.00 O ATOM 397 CB ASP A 30 1.100 -9.053 1.685 1.00 0.00 C ATOM 398 CG ASP A 30 1.237 -10.535 1.394 1.00 0.00 C ATOM 399 OD1 ASP A 30 0.408 -11.318 1.903 1.00 0.00 O ATOM 400 OD2 ASP A 30 2.173 -10.911 0.658 1.00 0.00 O ATOM 0 H ASP A 30 -0.960 -8.844 3.307 1.00 0.00 H new ATOM 0 HA ASP A 30 1.937 -9.316 3.646 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.164 -8.688 1.262 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.907 -8.512 1.190 1.00 0.00 H new ATOM 405 N ILE A 31 2.506 -6.959 4.077 1.00 0.00 N ATOM 406 CA ILE A 31 2.877 -5.578 4.356 1.00 0.00 C ATOM 407 C ILE A 31 3.600 -4.953 3.168 1.00 0.00 C ATOM 408 O ILE A 31 4.591 -5.494 2.677 1.00 0.00 O ATOM 409 CB ILE A 31 3.777 -5.477 5.602 1.00 0.00 C ATOM 410 CG1 ILE A 31 2.951 -5.686 6.873 1.00 0.00 C ATOM 411 CG2 ILE A 31 4.482 -4.129 5.638 1.00 0.00 C ATOM 412 CD1 ILE A 31 2.643 -7.139 7.160 1.00 0.00 C ATOM 0 H ILE A 31 3.161 -7.653 4.438 1.00 0.00 H new ATOM 0 HA ILE A 31 1.951 -5.034 4.542 1.00 0.00 H new ATOM 0 HB ILE A 31 4.534 -6.260 5.550 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.490 -5.263 7.721 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.015 -5.135 6.783 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.114 -4.073 6.524 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.097 -4.016 4.745 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.740 -3.331 5.670 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.055 -7.212 8.075 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.077 -7.562 6.330 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.575 -7.691 7.282 1.00 0.00 H new ATOM 424 N ILE A 32 3.100 -3.809 2.713 1.00 0.00 N ATOM 425 CA ILE A 32 3.700 -3.109 1.584 1.00 0.00 C ATOM 426 C ILE A 32 4.224 -1.739 2.003 1.00 0.00 C ATOM 427 O ILE A 32 3.459 -0.873 2.429 1.00 0.00 O ATOM 428 CB ILE A 32 2.694 -2.931 0.432 1.00 0.00 C ATOM 429 CG1 ILE A 32 2.215 -4.295 -0.070 1.00 0.00 C ATOM 430 CG2 ILE A 32 3.323 -2.134 -0.702 1.00 0.00 C ATOM 431 CD1 ILE A 32 1.004 -4.819 0.669 1.00 0.00 C ATOM 0 H ILE A 32 2.281 -3.347 3.109 1.00 0.00 H new ATOM 0 HA ILE A 32 4.531 -3.723 1.237 1.00 0.00 H new ATOM 0 HB ILE A 32 1.832 -2.378 0.804 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.979 -4.220 -1.131 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.028 -5.014 0.025 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.600 -2.016 -1.509 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.620 -1.152 -0.335 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.200 -2.662 -1.075 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.720 -5.789 0.261 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.242 -4.926 1.727 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.176 -4.120 0.552 1.00 0.00 H new ATOM 443 N THR A 33 5.533 -1.548 1.878 1.00 0.00 N ATOM 444 CA THR A 33 6.160 -0.283 2.242 1.00 0.00 C ATOM 445 C THR A 33 5.405 0.897 1.642 1.00 0.00 C ATOM 446 O THR A 33 4.747 0.766 0.609 1.00 0.00 O ATOM 447 CB THR A 33 7.628 -0.229 1.779 1.00 0.00 C ATOM 448 OG1 THR A 33 8.317 -1.412 2.197 1.00 0.00 O ATOM 449 CG2 THR A 33 8.328 0.998 2.341 1.00 0.00 C ATOM 0 H THR A 33 6.181 -2.254 1.527 1.00 0.00 H new ATOM 0 HA THR A 33 6.128 -0.216 3.329 1.00 0.00 H new ATOM 0 HB THR A 33 7.641 -0.167 0.691 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.249 -1.371 1.897 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.363 1.014 2.000 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.818 1.898 1.996 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.305 0.963 3.430 1.00 0.00 H new ATOM 457 N LEU A 34 5.505 2.050 2.293 1.00 0.00 N ATOM 458 CA LEU A 34 4.832 3.256 1.823 1.00 0.00 C ATOM 459 C LEU A 34 5.843 4.349 1.489 1.00 0.00 C ATOM 460 O LEU A 34 6.714 4.673 2.297 1.00 0.00 O ATOM 461 CB LEU A 34 3.849 3.761 2.880 1.00 0.00 C ATOM 462 CG LEU A 34 2.624 2.881 3.132 1.00 0.00 C ATOM 463 CD1 LEU A 34 1.950 3.266 4.440 1.00 0.00 C ATOM 464 CD2 LEU A 34 1.643 2.988 1.974 1.00 0.00 C ATOM 0 H LEU A 34 6.046 2.176 3.149 1.00 0.00 H new ATOM 0 HA LEU A 34 4.283 3.005 0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.387 3.879 3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.505 4.752 2.584 1.00 0.00 H new ATOM 0 HG LEU A 34 2.955 1.845 3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.080 2.629 4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.653 3.137 5.263 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.633 4.308 4.393 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.778 2.355 2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.319 4.023 1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.129 2.663 1.054 1.00 0.00 H new ATOM 476 N THR A 35 5.719 4.916 0.293 1.00 0.00 N ATOM 477 CA THR A 35 6.621 5.973 -0.148 1.00 0.00 C ATOM 478 C THR A 35 5.855 7.254 -0.458 1.00 0.00 C ATOM 479 O THR A 35 6.153 8.315 0.090 1.00 0.00 O ATOM 480 CB THR A 35 7.416 5.549 -1.397 1.00 0.00 C ATOM 481 OG1 THR A 35 6.518 5.125 -2.429 1.00 0.00 O ATOM 482 CG2 THR A 35 8.383 4.422 -1.066 1.00 0.00 C ATOM 0 H THR A 35 5.003 4.661 -0.387 1.00 0.00 H new ATOM 0 HA THR A 35 7.317 6.157 0.671 1.00 0.00 H new ATOM 0 HB THR A 35 7.989 6.409 -1.745 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.992 4.362 -2.112 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.933 4.139 -1.963 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.084 4.757 -0.301 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.826 3.561 -0.696 1.00 0.00 H new ATOM 490 N ASN A 36 4.866 7.149 -1.340 1.00 0.00 N ATOM 491 CA ASN A 36 4.058 8.300 -1.723 1.00 0.00 C ATOM 492 C ASN A 36 2.680 7.860 -2.209 1.00 0.00 C ATOM 493 O ASN A 36 2.412 6.667 -2.346 1.00 0.00 O ATOM 494 CB ASN A 36 4.764 9.105 -2.816 1.00 0.00 C ATOM 495 CG ASN A 36 5.691 10.162 -2.249 1.00 0.00 C ATOM 496 OD1 ASN A 36 5.242 11.195 -1.752 1.00 0.00 O ATOM 497 ND2 ASN A 36 6.992 9.908 -2.320 1.00 0.00 N ATOM 0 H ASN A 36 4.605 6.278 -1.803 1.00 0.00 H new ATOM 0 HA ASN A 36 3.929 8.931 -0.843 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.335 8.427 -3.451 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.018 9.583 -3.451 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.664 10.582 -1.954 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.320 9.038 -2.741 1.00 0.00 H new ATOM 504 N GLN A 37 1.812 8.832 -2.469 1.00 0.00 N ATOM 505 CA GLN A 37 0.462 8.545 -2.940 1.00 0.00 C ATOM 506 C GLN A 37 0.163 9.300 -4.231 1.00 0.00 C ATOM 507 O GLN A 37 0.542 10.462 -4.383 1.00 0.00 O ATOM 508 CB GLN A 37 -0.564 8.916 -1.868 1.00 0.00 C ATOM 509 CG GLN A 37 -2.000 8.621 -2.273 1.00 0.00 C ATOM 510 CD GLN A 37 -3.006 9.105 -1.248 1.00 0.00 C ATOM 511 OE1 GLN A 37 -2.707 9.975 -0.430 1.00 0.00 O ATOM 512 NE2 GLN A 37 -4.209 8.543 -1.287 1.00 0.00 N ATOM 0 H GLN A 37 2.019 9.825 -2.362 1.00 0.00 H new ATOM 0 HA GLN A 37 0.395 7.476 -3.143 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.334 8.371 -0.952 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.470 9.978 -1.639 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.208 9.095 -3.232 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.120 7.547 -2.415 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.414 7.825 -1.982 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.927 8.829 -0.622 1.00 0.00 H new ATOM 521 N ILE A 38 -0.517 8.633 -5.157 1.00 0.00 N ATOM 522 CA ILE A 38 -0.867 9.242 -6.434 1.00 0.00 C ATOM 523 C ILE A 38 -2.364 9.518 -6.520 1.00 0.00 C ATOM 524 O ILE A 38 -2.784 10.598 -6.935 1.00 0.00 O ATOM 525 CB ILE A 38 -0.452 8.347 -7.617 1.00 0.00 C ATOM 526 CG1 ILE A 38 1.068 8.174 -7.646 1.00 0.00 C ATOM 527 CG2 ILE A 38 -0.949 8.939 -8.928 1.00 0.00 C ATOM 528 CD1 ILE A 38 1.556 6.986 -6.846 1.00 0.00 C ATOM 0 H ILE A 38 -0.837 7.671 -5.047 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.323 10.185 -6.494 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.907 7.365 -7.488 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.393 8.064 -8.680 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.536 9.079 -7.259 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.648 8.296 -9.755 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.036 9.015 -8.904 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.519 9.931 -9.065 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.642 6.925 -6.911 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.261 7.104 -5.803 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.116 6.072 -7.246 1.00 0.00 H new ATOM 540 N ASP A 39 -3.165 8.535 -6.123 1.00 0.00 N ATOM 541 CA ASP A 39 -4.616 8.672 -6.152 1.00 0.00 C ATOM 542 C ASP A 39 -5.172 8.870 -4.745 1.00 0.00 C ATOM 543 O ASP A 39 -4.421 8.903 -3.771 1.00 0.00 O ATOM 544 CB ASP A 39 -5.253 7.440 -6.797 1.00 0.00 C ATOM 545 CG ASP A 39 -6.570 7.759 -7.478 1.00 0.00 C ATOM 546 OD1 ASP A 39 -6.547 8.111 -8.676 1.00 0.00 O ATOM 547 OD2 ASP A 39 -7.622 7.658 -6.813 1.00 0.00 O ATOM 0 H ASP A 39 -2.833 7.634 -5.777 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.861 9.552 -6.747 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.563 7.018 -7.527 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.416 6.678 -6.035 1.00 0.00 H new ATOM 552 N GLU A 40 -6.491 9.000 -4.648 1.00 0.00 N ATOM 553 CA GLU A 40 -7.146 9.197 -3.360 1.00 0.00 C ATOM 554 C GLU A 40 -7.376 7.862 -2.657 1.00 0.00 C ATOM 555 O GLU A 40 -7.569 7.812 -1.444 1.00 0.00 O ATOM 556 CB GLU A 40 -8.479 9.924 -3.546 1.00 0.00 C ATOM 557 CG GLU A 40 -9.133 10.340 -2.239 1.00 0.00 C ATOM 558 CD GLU A 40 -8.673 11.704 -1.764 1.00 0.00 C ATOM 559 OE1 GLU A 40 -8.653 12.643 -2.587 1.00 0.00 O ATOM 560 OE2 GLU A 40 -8.331 11.833 -0.570 1.00 0.00 O ATOM 0 H GLU A 40 -7.127 8.973 -5.445 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.491 9.808 -2.738 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.317 10.810 -4.160 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.163 9.277 -4.095 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.216 10.350 -2.366 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.909 9.598 -1.473 1.00 0.00 H new ATOM 567 N ASN A 41 -7.354 6.781 -3.431 1.00 0.00 N ATOM 568 CA ASN A 41 -7.561 5.445 -2.884 1.00 0.00 C ATOM 569 C ASN A 41 -6.453 4.496 -3.332 1.00 0.00 C ATOM 570 O ASN A 41 -6.563 3.280 -3.175 1.00 0.00 O ATOM 571 CB ASN A 41 -8.922 4.899 -3.319 1.00 0.00 C ATOM 572 CG ASN A 41 -10.032 5.281 -2.359 1.00 0.00 C ATOM 573 OD1 ASN A 41 -11.062 5.820 -2.765 1.00 0.00 O ATOM 574 ND2 ASN A 41 -9.827 5.002 -1.077 1.00 0.00 N ATOM 0 H ASN A 41 -7.195 6.804 -4.438 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.536 5.517 -1.797 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.160 5.275 -4.314 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.868 3.813 -3.394 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.538 5.235 -0.384 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.958 4.555 -0.785 1.00 0.00 H new ATOM 581 N TRP A 42 -5.388 5.061 -3.889 1.00 0.00 N ATOM 582 CA TRP A 42 -4.260 4.265 -4.359 1.00 0.00 C ATOM 583 C TRP A 42 -2.946 4.801 -3.801 1.00 0.00 C ATOM 584 O TRP A 42 -2.689 6.005 -3.839 1.00 0.00 O ATOM 585 CB TRP A 42 -4.214 4.260 -5.888 1.00 0.00 C ATOM 586 CG TRP A 42 -5.474 3.746 -6.517 1.00 0.00 C ATOM 587 CD1 TRP A 42 -6.690 4.365 -6.541 1.00 0.00 C ATOM 588 CD2 TRP A 42 -5.639 2.505 -7.212 1.00 0.00 C ATOM 589 NE1 TRP A 42 -7.603 3.585 -7.209 1.00 0.00 N ATOM 590 CE2 TRP A 42 -6.983 2.438 -7.631 1.00 0.00 C ATOM 591 CE3 TRP A 42 -4.784 1.444 -7.523 1.00 0.00 C ATOM 592 CZ2 TRP A 42 -7.487 1.353 -8.343 1.00 0.00 C ATOM 593 CZ3 TRP A 42 -5.287 0.368 -8.228 1.00 0.00 C ATOM 594 CH2 TRP A 42 -6.628 0.329 -8.633 1.00 0.00 C ATOM 0 H TRP A 42 -5.282 6.066 -4.026 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.395 3.244 -4.003 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -4.026 5.274 -6.242 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.375 3.647 -6.217 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.904 5.327 -6.100 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.583 3.821 -7.365 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.748 1.465 -7.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -8.520 1.321 -8.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.635 -0.458 -8.471 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -6.990 -0.526 -9.185 1.00 0.00 H new ATOM 605 N TYR A 43 -2.117 3.901 -3.284 1.00 0.00 N ATOM 606 CA TYR A 43 -0.830 4.285 -2.716 1.00 0.00 C ATOM 607 C TYR A 43 0.318 3.833 -3.614 1.00 0.00 C ATOM 608 O TYR A 43 0.100 3.201 -4.647 1.00 0.00 O ATOM 609 CB TYR A 43 -0.666 3.684 -1.319 1.00 0.00 C ATOM 610 CG TYR A 43 -1.258 4.537 -0.220 1.00 0.00 C ATOM 611 CD1 TYR A 43 -1.036 5.908 -0.181 1.00 0.00 C ATOM 612 CD2 TYR A 43 -2.041 3.971 0.779 1.00 0.00 C ATOM 613 CE1 TYR A 43 -1.575 6.690 0.822 1.00 0.00 C ATOM 614 CE2 TYR A 43 -2.585 4.746 1.785 1.00 0.00 C ATOM 615 CZ TYR A 43 -2.349 6.105 1.803 1.00 0.00 C ATOM 616 OH TYR A 43 -2.888 6.881 2.802 1.00 0.00 O ATOM 0 H TYR A 43 -2.313 2.901 -3.246 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.804 5.372 -2.642 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.137 2.701 -1.298 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.395 3.534 -1.119 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.432 6.370 -0.948 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.227 2.907 0.769 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.391 7.754 0.838 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.192 4.290 2.553 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.407 6.316 3.411 1.00 0.00 H new ATOM 626 N GLU A 44 1.541 4.163 -3.210 1.00 0.00 N ATOM 627 CA GLU A 44 2.724 3.792 -3.978 1.00 0.00 C ATOM 628 C GLU A 44 3.797 3.197 -3.071 1.00 0.00 C ATOM 629 O GLU A 44 4.403 3.901 -2.264 1.00 0.00 O ATOM 630 CB GLU A 44 3.282 5.010 -4.717 1.00 0.00 C ATOM 631 CG GLU A 44 4.209 4.652 -5.867 1.00 0.00 C ATOM 632 CD GLU A 44 5.036 5.832 -6.339 1.00 0.00 C ATOM 633 OE1 GLU A 44 5.495 6.615 -5.481 1.00 0.00 O ATOM 634 OE2 GLU A 44 5.224 5.973 -7.565 1.00 0.00 O ATOM 0 H GLU A 44 1.738 4.686 -2.357 1.00 0.00 H new ATOM 0 HA GLU A 44 2.430 3.037 -4.707 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.452 5.603 -5.101 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.822 5.639 -4.009 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.875 3.848 -5.555 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.618 4.271 -6.700 1.00 0.00 H new ATOM 641 N GLY A 45 4.026 1.895 -3.209 1.00 0.00 N ATOM 642 CA GLY A 45 5.026 1.227 -2.396 1.00 0.00 C ATOM 643 C GLY A 45 5.826 0.208 -3.182 1.00 0.00 C ATOM 644 O GLY A 45 5.664 0.083 -4.395 1.00 0.00 O ATOM 0 H GLY A 45 3.537 1.291 -3.869 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.703 1.970 -1.976 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.536 0.732 -1.558 1.00 0.00 H new ATOM 648 N MET A 46 6.695 -0.522 -2.489 1.00 0.00 N ATOM 649 CA MET A 46 7.524 -1.535 -3.131 1.00 0.00 C ATOM 650 C MET A 46 7.278 -2.909 -2.516 1.00 0.00 C ATOM 651 O MET A 46 7.273 -3.062 -1.294 1.00 0.00 O ATOM 652 CB MET A 46 9.004 -1.167 -3.007 1.00 0.00 C ATOM 653 CG MET A 46 9.518 -0.323 -4.162 1.00 0.00 C ATOM 654 SD MET A 46 11.277 0.048 -4.022 1.00 0.00 S ATOM 655 CE MET A 46 11.246 1.394 -2.840 1.00 0.00 C ATOM 0 H MET A 46 6.843 -0.431 -1.484 1.00 0.00 H new ATOM 0 HA MET A 46 7.253 -1.574 -4.186 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.158 -0.625 -2.074 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.594 -2.082 -2.945 1.00 0.00 H new ATOM 0 HG2 MET A 46 9.335 -0.847 -5.100 1.00 0.00 H new ATOM 0 HG3 MET A 46 8.956 0.610 -4.203 1.00 0.00 H new ATOM 0 HE1 MET A 46 12.264 1.734 -2.649 1.00 0.00 H new ATOM 0 HE2 MET A 46 10.657 2.218 -3.243 1.00 0.00 H new ATOM 0 HE3 MET A 46 10.798 1.050 -1.908 1.00 0.00 H new ATOM 665 N LEU A 47 7.072 -3.906 -3.370 1.00 0.00 N ATOM 666 CA LEU A 47 6.824 -5.268 -2.910 1.00 0.00 C ATOM 667 C LEU A 47 7.585 -6.278 -3.763 1.00 0.00 C ATOM 668 O LEU A 47 7.332 -6.411 -4.961 1.00 0.00 O ATOM 669 CB LEU A 47 5.327 -5.576 -2.949 1.00 0.00 C ATOM 670 CG LEU A 47 4.925 -7.005 -2.582 1.00 0.00 C ATOM 671 CD1 LEU A 47 5.132 -7.253 -1.096 1.00 0.00 C ATOM 672 CD2 LEU A 47 3.479 -7.270 -2.973 1.00 0.00 C ATOM 0 H LEU A 47 7.072 -3.797 -4.384 1.00 0.00 H new ATOM 0 HA LEU A 47 7.178 -5.348 -1.882 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.818 -4.891 -2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.959 -5.363 -3.953 1.00 0.00 H new ATOM 0 HG LEU A 47 5.562 -7.694 -3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.841 -8.275 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.183 -7.106 -0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.521 -6.556 -0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.211 -8.292 -2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.826 -6.573 -2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.362 -7.135 -4.048 1.00 0.00 H new ATOM 684 N HIS A 48 8.519 -6.989 -3.138 1.00 0.00 N ATOM 685 CA HIS A 48 9.315 -7.989 -3.840 1.00 0.00 C ATOM 686 C HIS A 48 10.036 -7.370 -5.033 1.00 0.00 C ATOM 687 O HIS A 48 10.120 -7.974 -6.102 1.00 0.00 O ATOM 688 CB HIS A 48 8.427 -9.143 -4.307 1.00 0.00 C ATOM 689 CG HIS A 48 8.010 -10.064 -3.202 1.00 0.00 C ATOM 690 ND1 HIS A 48 8.873 -10.498 -2.218 1.00 0.00 N ATOM 691 CD2 HIS A 48 6.812 -10.631 -2.928 1.00 0.00 C ATOM 692 CE1 HIS A 48 8.225 -11.295 -1.387 1.00 0.00 C ATOM 693 NE2 HIS A 48 6.972 -11.392 -1.795 1.00 0.00 N ATOM 0 H HIS A 48 8.743 -6.891 -2.148 1.00 0.00 H new ATOM 0 HA HIS A 48 10.063 -8.374 -3.147 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.536 -8.735 -4.784 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.960 -9.717 -5.065 1.00 0.00 H new ATOM 0 HD2 HIS A 48 5.900 -10.508 -3.494 1.00 0.00 H new ATOM 0 HE1 HIS A 48 8.648 -11.784 -0.522 1.00 0.00 H new ATOM 0 HE2 HIS A 48 6.242 -11.942 -1.342 1.00 0.00 H new ATOM 702 N GLY A 49 10.555 -6.161 -4.844 1.00 0.00 N ATOM 703 CA GLY A 49 11.260 -5.480 -5.914 1.00 0.00 C ATOM 704 C GLY A 49 10.326 -4.972 -6.993 1.00 0.00 C ATOM 705 O GLY A 49 10.742 -4.746 -8.130 1.00 0.00 O ATOM 0 H GLY A 49 10.500 -5.641 -3.968 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.821 -4.642 -5.500 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.986 -6.161 -6.358 1.00 0.00 H new ATOM 709 N HIS A 50 9.057 -4.792 -6.639 1.00 0.00 N ATOM 710 CA HIS A 50 8.060 -4.308 -7.587 1.00 0.00 C ATOM 711 C HIS A 50 7.432 -3.006 -7.098 1.00 0.00 C ATOM 712 O HIS A 50 6.865 -2.950 -6.007 1.00 0.00 O ATOM 713 CB HIS A 50 6.974 -5.363 -7.800 1.00 0.00 C ATOM 714 CG HIS A 50 7.503 -6.680 -8.277 1.00 0.00 C ATOM 715 ND1 HIS A 50 8.299 -6.811 -9.396 1.00 0.00 N ATOM 716 CD2 HIS A 50 7.349 -7.929 -7.778 1.00 0.00 C ATOM 717 CE1 HIS A 50 8.609 -8.084 -9.566 1.00 0.00 C ATOM 718 NE2 HIS A 50 8.045 -8.783 -8.597 1.00 0.00 N ATOM 0 H HIS A 50 8.695 -4.974 -5.703 1.00 0.00 H new ATOM 0 HA HIS A 50 8.560 -4.115 -8.536 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.437 -5.514 -6.863 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.251 -4.987 -8.524 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.784 -8.203 -6.899 1.00 0.00 H new ATOM 0 HE1 HIS A 50 9.219 -8.485 -10.362 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.115 -9.793 -8.477 1.00 0.00 H new ATOM 727 N SER A 51 7.539 -1.961 -7.912 1.00 0.00 N ATOM 728 CA SER A 51 6.987 -0.658 -7.561 1.00 0.00 C ATOM 729 C SER A 51 5.723 -0.369 -8.365 1.00 0.00 C ATOM 730 O SER A 51 5.783 -0.119 -9.568 1.00 0.00 O ATOM 731 CB SER A 51 8.022 0.441 -7.803 1.00 0.00 C ATOM 732 OG SER A 51 7.805 1.546 -6.943 1.00 0.00 O ATOM 0 H SER A 51 8.003 -1.991 -8.820 1.00 0.00 H new ATOM 0 HA SER A 51 6.727 -0.675 -6.502 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.024 0.043 -7.642 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.972 0.769 -8.841 1.00 0.00 H new ATOM 0 HG SER A 51 8.481 2.234 -7.117 1.00 0.00 H new ATOM 738 N GLY A 52 4.578 -0.405 -7.690 1.00 0.00 N ATOM 739 CA GLY A 52 3.315 -0.145 -8.357 1.00 0.00 C ATOM 740 C GLY A 52 2.299 0.508 -7.442 1.00 0.00 C ATOM 741 O GLY A 52 2.589 0.784 -6.277 1.00 0.00 O ATOM 0 H GLY A 52 4.502 -0.609 -6.694 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.489 0.499 -9.219 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.908 -1.083 -8.736 1.00 0.00 H new ATOM 745 N PHE A 53 1.105 0.758 -7.968 1.00 0.00 N ATOM 746 CA PHE A 53 0.043 1.386 -7.190 1.00 0.00 C ATOM 747 C PHE A 53 -1.002 0.357 -6.767 1.00 0.00 C ATOM 748 O PHE A 53 -1.442 -0.464 -7.572 1.00 0.00 O ATOM 749 CB PHE A 53 -0.621 2.500 -8.001 1.00 0.00 C ATOM 750 CG PHE A 53 0.342 3.279 -8.851 1.00 0.00 C ATOM 751 CD1 PHE A 53 1.421 3.933 -8.277 1.00 0.00 C ATOM 752 CD2 PHE A 53 0.170 3.357 -10.223 1.00 0.00 C ATOM 753 CE1 PHE A 53 2.308 4.651 -9.057 1.00 0.00 C ATOM 754 CE2 PHE A 53 1.054 4.073 -11.008 1.00 0.00 C ATOM 755 CZ PHE A 53 2.125 4.720 -10.424 1.00 0.00 C ATOM 0 H PHE A 53 0.848 0.536 -8.930 1.00 0.00 H new ATOM 0 HA PHE A 53 0.489 1.815 -6.293 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.388 2.064 -8.641 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.126 3.184 -7.319 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.570 3.881 -7.209 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.665 2.852 -10.685 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.144 5.158 -8.598 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.907 4.126 -12.077 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.818 5.279 -11.035 1.00 0.00 H new ATOM 765 N PHE A 54 -1.394 0.409 -5.499 1.00 0.00 N ATOM 766 CA PHE A 54 -2.385 -0.519 -4.967 1.00 0.00 C ATOM 767 C PHE A 54 -3.455 0.226 -4.173 1.00 0.00 C ATOM 768 O PHE A 54 -3.228 1.314 -3.645 1.00 0.00 O ATOM 769 CB PHE A 54 -1.711 -1.566 -4.078 1.00 0.00 C ATOM 770 CG PHE A 54 -0.826 -0.972 -3.019 1.00 0.00 C ATOM 771 CD1 PHE A 54 0.468 -0.579 -3.320 1.00 0.00 C ATOM 772 CD2 PHE A 54 -1.288 -0.808 -1.723 1.00 0.00 C ATOM 773 CE1 PHE A 54 1.286 -0.033 -2.348 1.00 0.00 C ATOM 774 CE2 PHE A 54 -0.475 -0.262 -0.748 1.00 0.00 C ATOM 775 CZ PHE A 54 0.813 0.125 -1.060 1.00 0.00 C ATOM 0 H PHE A 54 -1.041 1.084 -4.820 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.864 -1.021 -5.808 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.479 -2.174 -3.600 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.119 -2.235 -4.703 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.842 -0.701 -4.326 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.294 -1.110 -1.472 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.293 0.269 -2.595 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.847 -0.138 0.258 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.450 0.551 -0.298 1.00 0.00 H new ATOM 785 N PRO A 55 -4.652 -0.375 -4.086 1.00 0.00 N ATOM 786 CA PRO A 55 -5.781 0.213 -3.360 1.00 0.00 C ATOM 787 C PRO A 55 -5.563 0.213 -1.851 1.00 0.00 C ATOM 788 O PRO A 55 -4.860 -0.646 -1.316 1.00 0.00 O ATOM 789 CB PRO A 55 -6.954 -0.699 -3.730 1.00 0.00 C ATOM 790 CG PRO A 55 -6.325 -2.005 -4.074 1.00 0.00 C ATOM 791 CD PRO A 55 -4.994 -1.673 -4.691 1.00 0.00 C ATOM 0 HA PRO A 55 -5.936 1.259 -3.625 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.652 -0.803 -2.899 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.518 -0.297 -4.572 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.200 -2.624 -3.186 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.948 -2.567 -4.769 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.245 -2.432 -4.464 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.060 -1.605 -5.777 1.00 0.00 H new ATOM 799 N ILE A 56 -6.168 1.180 -1.170 1.00 0.00 N ATOM 800 CA ILE A 56 -6.040 1.289 0.278 1.00 0.00 C ATOM 801 C ILE A 56 -7.215 0.623 0.986 1.00 0.00 C ATOM 802 O ILE A 56 -7.139 0.304 2.172 1.00 0.00 O ATOM 803 CB ILE A 56 -5.953 2.760 0.726 1.00 0.00 C ATOM 804 CG1 ILE A 56 -5.130 3.573 -0.276 1.00 0.00 C ATOM 805 CG2 ILE A 56 -5.346 2.855 2.118 1.00 0.00 C ATOM 806 CD1 ILE A 56 -5.264 5.069 -0.095 1.00 0.00 C ATOM 0 H ILE A 56 -6.752 1.899 -1.597 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.117 0.778 0.552 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.961 3.174 0.761 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.080 3.296 -0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -5.439 3.308 -1.287 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.291 3.901 2.420 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.968 2.305 2.824 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.343 2.427 2.108 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.654 5.582 -0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.307 5.359 -0.220 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.927 5.346 0.904 1.00 0.00 H new ATOM 818 N ASN A 57 -8.301 0.414 0.249 1.00 0.00 N ATOM 819 CA ASN A 57 -9.493 -0.216 0.806 1.00 0.00 C ATOM 820 C ASN A 57 -9.255 -1.702 1.059 1.00 0.00 C ATOM 821 O ASN A 57 -10.149 -2.415 1.515 1.00 0.00 O ATOM 822 CB ASN A 57 -10.681 -0.032 -0.140 1.00 0.00 C ATOM 823 CG ASN A 57 -11.169 1.403 -0.184 1.00 0.00 C ATOM 824 OD1 ASN A 57 -10.583 2.289 0.439 1.00 0.00 O ATOM 825 ND2 ASN A 57 -12.248 1.639 -0.921 1.00 0.00 N ATOM 0 H ASN A 57 -8.380 0.671 -0.735 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.717 0.265 1.758 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.395 -0.346 -1.144 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.498 -0.681 0.176 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -12.623 2.585 -0.988 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.702 0.874 -1.421 1.00 0.00 H new ATOM 832 N TYR A 58 -8.045 -2.161 0.760 1.00 0.00 N ATOM 833 CA TYR A 58 -7.689 -3.561 0.953 1.00 0.00 C ATOM 834 C TYR A 58 -6.570 -3.703 1.980 1.00 0.00 C ATOM 835 O TYR A 58 -6.439 -4.737 2.634 1.00 0.00 O ATOM 836 CB TYR A 58 -7.261 -4.188 -0.375 1.00 0.00 C ATOM 837 CG TYR A 58 -8.414 -4.728 -1.190 1.00 0.00 C ATOM 838 CD1 TYR A 58 -9.286 -5.669 -0.658 1.00 0.00 C ATOM 839 CD2 TYR A 58 -8.632 -4.295 -2.493 1.00 0.00 C ATOM 840 CE1 TYR A 58 -10.341 -6.165 -1.400 1.00 0.00 C ATOM 841 CE2 TYR A 58 -9.684 -4.785 -3.241 1.00 0.00 C ATOM 842 CZ TYR A 58 -10.536 -5.720 -2.691 1.00 0.00 C ATOM 843 OH TYR A 58 -11.586 -6.211 -3.432 1.00 0.00 O ATOM 0 H TYR A 58 -7.294 -1.583 0.383 1.00 0.00 H new ATOM 0 HA TYR A 58 -8.569 -4.084 1.327 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.729 -3.442 -0.965 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.558 -4.997 -0.175 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.137 -6.019 0.353 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.967 -3.563 -2.927 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -11.009 -6.897 -0.971 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.839 -4.438 -4.252 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.583 -5.795 -4.319 1.00 0.00 H new ATOM 853 N VAL A 59 -5.765 -2.654 2.116 1.00 0.00 N ATOM 854 CA VAL A 59 -4.657 -2.659 3.064 1.00 0.00 C ATOM 855 C VAL A 59 -4.909 -1.683 4.208 1.00 0.00 C ATOM 856 O VAL A 59 -5.278 -0.531 3.983 1.00 0.00 O ATOM 857 CB VAL A 59 -3.328 -2.295 2.376 1.00 0.00 C ATOM 858 CG1 VAL A 59 -3.218 -2.989 1.027 1.00 0.00 C ATOM 859 CG2 VAL A 59 -3.204 -0.787 2.221 1.00 0.00 C ATOM 0 H VAL A 59 -5.859 -1.790 1.582 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.585 -3.671 3.463 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.507 -2.641 3.004 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.273 -2.720 0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.258 -4.069 1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.044 -2.676 0.388 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.259 -0.548 1.733 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.030 -0.414 1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.234 -0.317 3.204 1.00 0.00 H new ATOM 869 N GLU A 60 -4.705 -2.152 5.435 1.00 0.00 N ATOM 870 CA GLU A 60 -4.910 -1.319 6.614 1.00 0.00 C ATOM 871 C GLU A 60 -3.696 -0.430 6.871 1.00 0.00 C ATOM 872 O GLU A 60 -2.554 -0.859 6.704 1.00 0.00 O ATOM 873 CB GLU A 60 -5.185 -2.192 7.841 1.00 0.00 C ATOM 874 CG GLU A 60 -5.524 -1.397 9.090 1.00 0.00 C ATOM 875 CD GLU A 60 -6.157 -2.251 10.171 1.00 0.00 C ATOM 876 OE1 GLU A 60 -5.429 -3.046 10.801 1.00 0.00 O ATOM 877 OE2 GLU A 60 -7.380 -2.124 10.388 1.00 0.00 O ATOM 0 H GLU A 60 -4.398 -3.103 5.638 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.774 -0.680 6.430 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.009 -2.869 7.617 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.309 -2.810 8.040 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.616 -0.937 9.481 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.204 -0.587 8.827 1.00 0.00 H new ATOM 884 N ILE A 61 -3.953 0.809 7.276 1.00 0.00 N ATOM 885 CA ILE A 61 -2.882 1.757 7.556 1.00 0.00 C ATOM 886 C ILE A 61 -2.545 1.783 9.043 1.00 0.00 C ATOM 887 O ILE A 61 -3.358 2.203 9.868 1.00 0.00 O ATOM 888 CB ILE A 61 -3.258 3.180 7.102 1.00 0.00 C ATOM 889 CG1 ILE A 61 -3.730 3.166 5.646 1.00 0.00 C ATOM 890 CG2 ILE A 61 -2.074 4.120 7.271 1.00 0.00 C ATOM 891 CD1 ILE A 61 -2.646 2.784 4.663 1.00 0.00 C ATOM 0 H ILE A 61 -4.893 1.180 7.417 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.010 1.423 6.994 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.075 3.541 7.726 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.560 2.467 5.548 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.113 4.153 5.387 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.355 5.122 6.946 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.779 4.148 8.320 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.238 3.764 6.668 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.052 2.795 3.651 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.824 3.497 4.732 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.279 1.784 4.896 1.00 0.00 H new ATOM 903 N LEU A 62 -1.342 1.333 9.379 1.00 0.00 N ATOM 904 CA LEU A 62 -0.895 1.305 10.767 1.00 0.00 C ATOM 905 C LEU A 62 -0.087 2.555 11.104 1.00 0.00 C ATOM 906 O LEU A 62 -0.224 3.122 12.188 1.00 0.00 O ATOM 907 CB LEU A 62 -0.053 0.055 11.028 1.00 0.00 C ATOM 908 CG LEU A 62 -0.629 -1.262 10.507 1.00 0.00 C ATOM 909 CD1 LEU A 62 0.472 -2.298 10.341 1.00 0.00 C ATOM 910 CD2 LEU A 62 -1.712 -1.778 11.444 1.00 0.00 C ATOM 0 H LEU A 62 -0.658 0.982 8.709 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.778 1.281 11.406 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.929 0.202 10.578 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.099 -0.038 12.103 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.078 -1.079 9.531 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.043 -3.229 9.969 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.213 -1.931 9.631 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.950 -2.478 11.304 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.111 -2.716 11.058 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.287 -1.945 12.434 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.514 -1.043 11.512 1.00 0.00 H new ATOM 922 N VAL A 63 0.753 2.981 10.166 1.00 0.00 N ATOM 923 CA VAL A 63 1.580 4.166 10.362 1.00 0.00 C ATOM 924 C VAL A 63 1.227 5.255 9.356 1.00 0.00 C ATOM 925 O VAL A 63 1.508 5.129 8.165 1.00 0.00 O ATOM 926 CB VAL A 63 3.078 3.831 10.235 1.00 0.00 C ATOM 927 CG1 VAL A 63 3.917 5.098 10.313 1.00 0.00 C ATOM 928 CG2 VAL A 63 3.495 2.839 11.310 1.00 0.00 C ATOM 0 H VAL A 63 0.879 2.523 9.263 1.00 0.00 H new ATOM 0 HA VAL A 63 1.380 4.529 11.370 1.00 0.00 H new ATOM 0 HB VAL A 63 3.248 3.370 9.262 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.972 4.842 10.221 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.636 5.771 9.503 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.745 5.590 11.270 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.556 2.614 11.205 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.311 3.270 12.294 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.917 1.921 11.202 1.00 0.00 H new ATOM 938 N ALA A 64 0.608 6.325 9.844 1.00 0.00 N ATOM 939 CA ALA A 64 0.218 7.439 8.988 1.00 0.00 C ATOM 940 C ALA A 64 1.440 8.122 8.385 1.00 0.00 C ATOM 941 O ALA A 64 2.314 8.603 9.108 1.00 0.00 O ATOM 942 CB ALA A 64 -0.617 8.440 9.772 1.00 0.00 C ATOM 0 H ALA A 64 0.366 6.444 10.828 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.384 7.043 8.170 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.901 9.266 9.120 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.515 7.949 10.148 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.034 8.823 10.610 1.00 0.00 H new ATOM 948 N LEU A 65 1.497 8.162 7.059 1.00 0.00 N ATOM 949 CA LEU A 65 2.613 8.787 6.359 1.00 0.00 C ATOM 950 C LEU A 65 2.904 10.173 6.925 1.00 0.00 C ATOM 951 O LEU A 65 2.026 10.847 7.465 1.00 0.00 O ATOM 952 CB LEU A 65 2.311 8.888 4.862 1.00 0.00 C ATOM 953 CG LEU A 65 2.384 7.581 4.073 1.00 0.00 C ATOM 954 CD1 LEU A 65 1.489 7.647 2.845 1.00 0.00 C ATOM 955 CD2 LEU A 65 3.821 7.280 3.672 1.00 0.00 C ATOM 0 H LEU A 65 0.783 7.769 6.446 1.00 0.00 H new ATOM 0 HA LEU A 65 3.495 8.163 6.504 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.312 9.307 4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.010 9.597 4.418 1.00 0.00 H new ATOM 0 HG LEU A 65 2.029 6.773 4.713 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.554 6.708 2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.458 7.815 3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.813 8.466 2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.854 6.346 3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.203 8.090 3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.437 7.188 4.567 1.00 0.00 H new ATOM 967 N PRO A 66 4.166 10.612 6.799 1.00 0.00 N ATOM 968 CA PRO A 66 4.601 11.923 7.289 1.00 0.00 C ATOM 969 C PRO A 66 4.016 13.070 6.473 1.00 0.00 C ATOM 970 O PRO A 66 4.082 13.068 5.243 1.00 0.00 O ATOM 971 CB PRO A 66 6.122 11.874 7.130 1.00 0.00 C ATOM 972 CG PRO A 66 6.357 10.886 6.040 1.00 0.00 C ATOM 973 CD PRO A 66 5.264 9.862 6.166 1.00 0.00 C ATOM 0 HA PRO A 66 4.272 12.106 8.312 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.525 12.853 6.871 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.607 11.565 8.056 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.329 11.369 5.063 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.339 10.423 6.138 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.971 9.465 5.194 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.576 9.014 6.776 1.00 0.00 H new ATOM 981 N HIS A 67 3.444 14.051 7.165 1.00 0.00 N ATOM 982 CA HIS A 67 2.848 15.206 6.503 1.00 0.00 C ATOM 983 C HIS A 67 3.926 16.103 5.902 1.00 0.00 C ATOM 984 O HIS A 67 4.785 16.621 6.615 1.00 0.00 O ATOM 985 CB HIS A 67 1.997 16.004 7.492 1.00 0.00 C ATOM 986 CG HIS A 67 0.842 15.230 8.048 1.00 0.00 C ATOM 987 ND1 HIS A 67 -0.453 15.383 7.597 1.00 0.00 N ATOM 988 CD2 HIS A 67 0.791 14.292 9.022 1.00 0.00 C ATOM 989 CE1 HIS A 67 -1.250 14.573 8.272 1.00 0.00 C ATOM 990 NE2 HIS A 67 -0.519 13.900 9.142 1.00 0.00 N ATOM 0 H HIS A 67 3.381 14.069 8.183 1.00 0.00 H new ATOM 0 HA HIS A 67 2.210 14.843 5.697 1.00 0.00 H new ATOM 0 HB2 HIS A 67 2.629 16.339 8.315 1.00 0.00 H new ATOM 0 HB3 HIS A 67 1.619 16.898 6.995 1.00 0.00 H new ATOM 0 HD2 HIS A 67 1.626 13.921 9.598 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.317 14.478 8.135 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -0.871 13.202 9.797 1.00 0.00 H new ATOM 999 N SER A 68 3.874 16.282 4.586 1.00 0.00 N ATOM 1000 CA SER A 68 4.848 17.113 3.888 1.00 0.00 C ATOM 1001 C SER A 68 4.157 18.245 3.135 1.00 0.00 C ATOM 1002 O SER A 68 3.176 18.026 2.425 1.00 0.00 O ATOM 1003 CB SER A 68 5.669 16.264 2.914 1.00 0.00 C ATOM 1004 OG SER A 68 6.764 16.999 2.396 1.00 0.00 O ATOM 0 H SER A 68 3.168 15.863 3.982 1.00 0.00 H new ATOM 0 HA SER A 68 5.515 17.549 4.631 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.034 15.372 3.423 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.033 15.927 2.095 1.00 0.00 H new ATOM 0 HG SER A 68 7.274 16.435 1.778 1.00 0.00 H new ATOM 1010 N GLY A 69 4.676 19.458 3.296 1.00 0.00 N ATOM 1011 CA GLY A 69 4.097 20.608 2.627 1.00 0.00 C ATOM 1012 C GLY A 69 3.247 21.453 3.556 1.00 0.00 C ATOM 1013 O GLY A 69 2.021 21.348 3.577 1.00 0.00 O ATOM 0 H GLY A 69 5.488 19.665 3.878 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.895 21.222 2.211 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.487 20.268 1.790 1.00 0.00 H new ATOM 1017 N PRO A 70 3.905 22.313 4.348 1.00 0.00 N ATOM 1018 CA PRO A 70 3.222 23.195 5.299 1.00 0.00 C ATOM 1019 C PRO A 70 2.426 24.293 4.602 1.00 0.00 C ATOM 1020 O PRO A 70 2.927 25.398 4.393 1.00 0.00 O ATOM 1021 CB PRO A 70 4.370 23.799 6.110 1.00 0.00 C ATOM 1022 CG PRO A 70 5.551 23.732 5.204 1.00 0.00 C ATOM 1023 CD PRO A 70 5.367 22.491 4.375 1.00 0.00 C ATOM 0 HA PRO A 70 2.493 22.656 5.904 1.00 0.00 H new ATOM 0 HB2 PRO A 70 4.152 24.827 6.400 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.544 23.238 7.029 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.609 24.618 4.572 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.479 23.686 5.775 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.776 22.613 3.372 1.00 0.00 H new ATOM 0 HD3 PRO A 70 5.868 21.632 4.821 1.00 0.00 H new ATOM 1031 N SER A 71 1.184 23.982 4.245 1.00 0.00 N ATOM 1032 CA SER A 71 0.320 24.942 3.568 1.00 0.00 C ATOM 1033 C SER A 71 -1.115 24.429 3.502 1.00 0.00 C ATOM 1034 O SER A 71 -1.358 23.223 3.555 1.00 0.00 O ATOM 1035 CB SER A 71 0.840 25.222 2.157 1.00 0.00 C ATOM 1036 OG SER A 71 -0.077 26.016 1.424 1.00 0.00 O ATOM 0 H SER A 71 0.754 23.073 4.413 1.00 0.00 H new ATOM 0 HA SER A 71 0.329 25.869 4.141 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.802 25.732 2.215 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.009 24.280 1.635 1.00 0.00 H new ATOM 0 HG SER A 71 0.279 26.182 0.526 1.00 0.00 H new ATOM 1042 N SER A 72 -2.063 25.354 3.385 1.00 0.00 N ATOM 1043 CA SER A 72 -3.475 24.996 3.315 1.00 0.00 C ATOM 1044 C SER A 72 -3.965 25.000 1.870 1.00 0.00 C ATOM 1045 O SER A 72 -3.315 25.552 0.984 1.00 0.00 O ATOM 1046 CB SER A 72 -4.310 25.968 4.151 1.00 0.00 C ATOM 1047 OG SER A 72 -3.839 26.028 5.486 1.00 0.00 O ATOM 0 H SER A 72 -1.879 26.356 3.337 1.00 0.00 H new ATOM 0 HA SER A 72 -3.590 23.989 3.717 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.273 26.961 3.704 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.354 25.654 4.144 1.00 0.00 H new ATOM 0 HG SER A 72 -4.388 26.657 5.999 1.00 0.00 H new ATOM 1053 N GLY A 73 -5.118 24.377 1.642 1.00 0.00 N ATOM 1054 CA GLY A 73 -5.676 24.319 0.304 1.00 0.00 C ATOM 1055 C GLY A 73 -4.670 23.842 -0.725 1.00 0.00 C ATOM 1056 O GLY A 73 -4.095 24.645 -1.459 1.00 0.00 O ATOM 0 H GLY A 73 -5.674 23.912 2.359 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.537 23.651 0.302 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.038 25.308 0.022 1.00 0.00 H new TER 1060 GLY A 73