USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 661 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 35 CYS SG : rot 25:sc= 0.0517 USER MOD Set 1.2: A 71 THR OG1 : rot -160:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.124 (180deg=-0.0873) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.45) USER MOD Single : A 13 THR OG1 : rot -158:sc= 0.0308 USER MOD Single : A 16 GLN : amide:sc= -6.85! C(o=-6.8!,f=-16!) USER MOD Single : A 17 LYS NZ :NH3+ -166:sc= -5.52! (180deg=-5.96!) USER MOD Single : A 18 ASN : amide:sc=-0.00416 X(o=-0.0042,f=-0.14) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0656 USER MOD Single : A 39 LYS NZ :NH3+ -156:sc= -0.0651 (180deg=-0.579) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 175:sc= -5.78! (180deg=-6.28!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.332 X(o=-0.33,f=-0.62) USER MOD Single : A 53 THR OG1 : rot -130:sc= -1.64 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -166:sc= -0.43 (180deg=-1.15) USER MOD Single : A 81 MET CE :methyl 162:sc= -0.75 (180deg=-2.6) USER MOD Single : A 84 CYS SG : rot 55:sc= 0.8 USER MOD Single : A 85 MET CE :methyl -162:sc= -3.37 (180deg=-4.05!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0.00614 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.240 -2.654 -0.285 1.00 4.21 N ATOM 2 CA MET A 1 3.119 -2.839 -1.434 1.00 21.41 C ATOM 3 C MET A 1 4.547 -3.135 -0.985 1.00 14.15 C ATOM 4 O MET A 1 4.862 -3.058 0.203 1.00 31.11 O ATOM 5 CB MET A 1 3.100 -1.595 -2.324 1.00 74.42 C ATOM 6 CG MET A 1 3.834 -0.407 -1.725 1.00 23.43 C ATOM 7 SD MET A 1 3.136 1.173 -2.239 1.00 55.12 S ATOM 8 CE MET A 1 3.054 2.034 -0.671 1.00 0.03 C ATOM 0 H1 MET A 1 1.510 -3.394 -0.284 1.00 4.21 H new ATOM 0 H2 MET A 1 2.797 -2.715 0.591 1.00 4.21 H new ATOM 0 H3 MET A 1 1.786 -1.720 -0.342 1.00 4.21 H new ATOM 0 HA MET A 1 2.752 -3.692 -2.006 1.00 21.41 H new ATOM 0 HB2 MET A 1 3.548 -1.840 -3.287 1.00 74.42 H new ATOM 0 HB3 MET A 1 2.065 -1.312 -2.517 1.00 74.42 H new ATOM 0 HG2 MET A 1 3.803 -0.477 -0.638 1.00 23.43 H new ATOM 0 HG3 MET A 1 4.883 -0.448 -2.017 1.00 23.43 H new ATOM 0 HE1 MET A 1 2.641 3.031 -0.825 1.00 0.03 H new ATOM 0 HE2 MET A 1 2.416 1.479 0.016 1.00 0.03 H new ATOM 0 HE3 MET A 1 4.055 2.117 -0.249 1.00 0.03 H new ATOM 18 N ASP A 2 5.405 -3.473 -1.940 1.00 72.14 N ATOM 19 CA ASP A 2 6.799 -3.779 -1.643 1.00 22.43 C ATOM 20 C ASP A 2 7.724 -3.185 -2.700 1.00 71.35 C ATOM 21 O ASP A 2 7.290 -2.856 -3.804 1.00 72.05 O ATOM 22 CB ASP A 2 7.005 -5.293 -1.560 1.00 14.33 C ATOM 23 CG ASP A 2 6.799 -5.829 -0.157 1.00 14.03 C ATOM 24 OD1 ASP A 2 7.272 -5.182 0.801 1.00 60.24 O ATOM 25 OD2 ASP A 2 6.165 -6.896 -0.016 1.00 55.11 O ATOM 0 H ASP A 2 5.160 -3.542 -2.928 1.00 72.14 H new ATOM 0 HA ASP A 2 7.045 -3.333 -0.679 1.00 22.43 H new ATOM 0 HB2 ASP A 2 6.313 -5.789 -2.241 1.00 14.33 H new ATOM 0 HB3 ASP A 2 8.013 -5.539 -1.895 1.00 14.33 H new ATOM 30 N ASP A 3 9.000 -3.050 -2.355 1.00 75.11 N ATOM 31 CA ASP A 3 9.986 -2.495 -3.275 1.00 20.43 C ATOM 32 C ASP A 3 10.251 -3.455 -4.431 1.00 3.23 C ATOM 33 O ASP A 3 10.653 -3.037 -5.517 1.00 55.12 O ATOM 34 CB ASP A 3 11.291 -2.194 -2.536 1.00 31.32 C ATOM 35 CG ASP A 3 12.102 -3.445 -2.260 1.00 33.14 C ATOM 36 OD1 ASP A 3 11.559 -4.378 -1.631 1.00 14.12 O ATOM 37 OD2 ASP A 3 13.279 -3.492 -2.673 1.00 10.21 O ATOM 0 H ASP A 3 9.376 -3.317 -1.445 1.00 75.11 H new ATOM 0 HA ASP A 3 9.585 -1.567 -3.682 1.00 20.43 H new ATOM 0 HB2 ASP A 3 11.888 -1.500 -3.128 1.00 31.32 H new ATOM 0 HB3 ASP A 3 11.065 -1.696 -1.593 1.00 31.32 H new ATOM 42 N ILE A 4 10.026 -4.742 -4.188 1.00 54.44 N ATOM 43 CA ILE A 4 10.240 -5.760 -5.209 1.00 43.32 C ATOM 44 C ILE A 4 9.191 -5.663 -6.311 1.00 74.41 C ATOM 45 O ILE A 4 9.467 -5.959 -7.474 1.00 2.50 O ATOM 46 CB ILE A 4 10.207 -7.177 -4.607 1.00 5.32 C ATOM 47 CG1 ILE A 4 10.349 -8.227 -5.710 1.00 62.13 C ATOM 48 CG2 ILE A 4 8.919 -7.391 -3.827 1.00 0.34 C ATOM 49 CD1 ILE A 4 11.225 -9.397 -5.322 1.00 24.34 C ATOM 0 H ILE A 4 9.696 -5.104 -3.293 1.00 54.44 H new ATOM 0 HA ILE A 4 11.227 -5.578 -5.634 1.00 43.32 H new ATOM 0 HB ILE A 4 11.047 -7.284 -3.920 1.00 5.32 H new ATOM 0 HG12 ILE A 4 9.359 -8.598 -5.977 1.00 62.13 H new ATOM 0 HG13 ILE A 4 10.763 -7.753 -6.600 1.00 62.13 H new ATOM 0 HG21 ILE A 4 8.910 -8.397 -3.408 1.00 0.34 H new ATOM 0 HG22 ILE A 4 8.857 -6.661 -3.020 1.00 0.34 H new ATOM 0 HG23 ILE A 4 8.065 -7.269 -4.494 1.00 0.34 H new ATOM 0 HD11 ILE A 4 11.280 -10.101 -6.152 1.00 24.34 H new ATOM 0 HD12 ILE A 4 12.226 -9.038 -5.083 1.00 24.34 H new ATOM 0 HD13 ILE A 4 10.801 -9.896 -4.451 1.00 24.34 H new ATOM 61 N TYR A 5 7.986 -5.247 -5.938 1.00 12.03 N ATOM 62 CA TYR A 5 6.893 -5.112 -6.894 1.00 45.11 C ATOM 63 C TYR A 5 6.950 -3.760 -7.598 1.00 41.33 C ATOM 64 O TYR A 5 6.795 -3.673 -8.817 1.00 25.43 O ATOM 65 CB TYR A 5 5.546 -5.276 -6.188 1.00 44.31 C ATOM 66 CG TYR A 5 5.286 -6.683 -5.699 1.00 42.40 C ATOM 67 CD1 TYR A 5 5.596 -7.782 -6.489 1.00 63.51 C ATOM 68 CD2 TYR A 5 4.731 -6.912 -4.446 1.00 1.30 C ATOM 69 CE1 TYR A 5 5.359 -9.069 -6.046 1.00 65.45 C ATOM 70 CE2 TYR A 5 4.492 -8.195 -3.995 1.00 21.35 C ATOM 71 CZ TYR A 5 4.808 -9.271 -4.799 1.00 15.35 C ATOM 72 OH TYR A 5 4.571 -10.551 -4.353 1.00 64.24 O ATOM 0 H TYR A 5 7.741 -4.997 -4.980 1.00 12.03 H new ATOM 0 HA TYR A 5 7.000 -5.897 -7.643 1.00 45.11 H new ATOM 0 HB2 TYR A 5 5.504 -4.592 -5.340 1.00 44.31 H new ATOM 0 HB3 TYR A 5 4.749 -4.985 -6.872 1.00 44.31 H new ATOM 0 HD1 TYR A 5 6.030 -7.628 -7.466 1.00 63.51 H new ATOM 0 HD2 TYR A 5 4.482 -6.072 -3.814 1.00 1.30 H new ATOM 0 HE1 TYR A 5 5.604 -9.913 -6.674 1.00 65.45 H new ATOM 0 HE2 TYR A 5 4.060 -8.355 -3.018 1.00 21.35 H new ATOM 0 HH TYR A 5 4.181 -10.517 -3.455 1.00 64.24 H new ATOM 82 N LYS A 6 7.174 -2.705 -6.822 1.00 53.31 N ATOM 83 CA LYS A 6 7.253 -1.355 -7.369 1.00 24.34 C ATOM 84 C LYS A 6 8.397 -1.241 -8.371 1.00 42.02 C ATOM 85 O LYS A 6 8.301 -0.508 -9.355 1.00 64.43 O ATOM 86 CB LYS A 6 7.445 -0.337 -6.242 1.00 71.21 C ATOM 87 CG LYS A 6 8.871 -0.263 -5.725 1.00 61.30 C ATOM 88 CD LYS A 6 9.681 0.785 -6.470 1.00 73.30 C ATOM 89 CE LYS A 6 9.789 2.076 -5.673 1.00 71.32 C ATOM 90 NZ LYS A 6 10.975 2.074 -4.773 1.00 43.32 N ATOM 0 H LYS A 6 7.304 -2.759 -5.812 1.00 53.31 H new ATOM 0 HA LYS A 6 6.317 -1.143 -7.886 1.00 24.34 H new ATOM 0 HB2 LYS A 6 7.145 0.648 -6.599 1.00 71.21 H new ATOM 0 HB3 LYS A 6 6.781 -0.592 -5.416 1.00 71.21 H new ATOM 0 HG2 LYS A 6 8.861 -0.028 -4.661 1.00 61.30 H new ATOM 0 HG3 LYS A 6 9.349 -1.237 -5.832 1.00 61.30 H new ATOM 0 HD2 LYS A 6 10.679 0.398 -6.674 1.00 73.30 H new ATOM 0 HD3 LYS A 6 9.215 0.989 -7.434 1.00 73.30 H new ATOM 0 HE2 LYS A 6 9.854 2.921 -6.358 1.00 71.32 H new ATOM 0 HE3 LYS A 6 8.884 2.214 -5.081 1.00 71.32 H new ATOM 0 HZ1 LYS A 6 11.013 2.971 -4.247 1.00 43.32 H new ATOM 0 HZ2 LYS A 6 10.901 1.282 -4.103 1.00 43.32 H new ATOM 0 HZ3 LYS A 6 11.841 1.968 -5.340 1.00 43.32 H new ATOM 104 N ALA A 7 9.478 -1.971 -8.115 1.00 12.00 N ATOM 105 CA ALA A 7 10.638 -1.954 -8.997 1.00 41.21 C ATOM 106 C ALA A 7 10.344 -2.681 -10.305 1.00 24.12 C ATOM 107 O ALA A 7 10.798 -2.267 -11.371 1.00 72.54 O ATOM 108 CB ALA A 7 11.839 -2.578 -8.302 1.00 31.01 C ATOM 0 H ALA A 7 9.574 -2.582 -7.304 1.00 12.00 H new ATOM 0 HA ALA A 7 10.869 -0.915 -9.233 1.00 41.21 H new ATOM 0 HB1 ALA A 7 12.698 -2.559 -8.973 1.00 31.01 H new ATOM 0 HB2 ALA A 7 12.071 -2.013 -7.399 1.00 31.01 H new ATOM 0 HB3 ALA A 7 11.610 -3.610 -8.036 1.00 31.01 H new ATOM 114 N ALA A 8 9.584 -3.767 -10.215 1.00 34.15 N ATOM 115 CA ALA A 8 9.229 -4.551 -11.391 1.00 34.01 C ATOM 116 C ALA A 8 8.252 -3.792 -12.283 1.00 1.45 C ATOM 117 O ALA A 8 8.329 -3.865 -13.509 1.00 25.10 O ATOM 118 CB ALA A 8 8.635 -5.889 -10.974 1.00 42.34 C ATOM 0 H ALA A 8 9.202 -4.124 -9.339 1.00 34.15 H new ATOM 0 HA ALA A 8 10.138 -4.732 -11.964 1.00 34.01 H new ATOM 0 HB1 ALA A 8 8.374 -6.464 -11.862 1.00 42.34 H new ATOM 0 HB2 ALA A 8 9.365 -6.443 -10.384 1.00 42.34 H new ATOM 0 HB3 ALA A 8 7.739 -5.719 -10.376 1.00 42.34 H new ATOM 124 N VAL A 9 7.332 -3.062 -11.658 1.00 64.34 N ATOM 125 CA VAL A 9 6.340 -2.289 -12.396 1.00 5.24 C ATOM 126 C VAL A 9 6.954 -1.019 -12.975 1.00 14.21 C ATOM 127 O VAL A 9 6.638 -0.621 -14.096 1.00 33.33 O ATOM 128 CB VAL A 9 5.147 -1.907 -11.500 1.00 22.24 C ATOM 129 CG1 VAL A 9 5.617 -1.100 -10.299 1.00 63.11 C ATOM 130 CG2 VAL A 9 4.108 -1.135 -12.298 1.00 12.32 C ATOM 0 H VAL A 9 7.254 -2.990 -10.644 1.00 64.34 H new ATOM 0 HA VAL A 9 5.986 -2.922 -13.210 1.00 5.24 H new ATOM 0 HB VAL A 9 4.683 -2.822 -11.133 1.00 22.24 H new ATOM 0 HG11 VAL A 9 4.760 -0.839 -9.678 1.00 63.11 H new ATOM 0 HG12 VAL A 9 6.321 -1.693 -9.715 1.00 63.11 H new ATOM 0 HG13 VAL A 9 6.107 -0.189 -10.642 1.00 63.11 H new ATOM 0 HG21 VAL A 9 3.272 -0.873 -11.649 1.00 12.32 H new ATOM 0 HG22 VAL A 9 4.557 -0.225 -12.696 1.00 12.32 H new ATOM 0 HG23 VAL A 9 3.749 -1.753 -13.121 1.00 12.32 H new ATOM 140 N GLU A 10 7.832 -0.387 -12.203 1.00 3.01 N ATOM 141 CA GLU A 10 8.490 0.839 -12.640 1.00 74.02 C ATOM 142 C GLU A 10 9.519 0.546 -13.728 1.00 4.14 C ATOM 143 O GLU A 10 9.855 1.417 -14.529 1.00 55.54 O ATOM 144 CB GLU A 10 9.166 1.532 -11.455 1.00 72.04 C ATOM 145 CG GLU A 10 10.558 1.002 -11.154 1.00 52.51 C ATOM 146 CD GLU A 10 11.183 1.663 -9.941 1.00 45.43 C ATOM 147 OE1 GLU A 10 10.569 2.604 -9.396 1.00 34.45 O ATOM 148 OE2 GLU A 10 12.287 1.241 -9.538 1.00 42.21 O ATOM 0 H GLU A 10 8.104 -0.703 -11.272 1.00 3.01 H new ATOM 0 HA GLU A 10 7.730 1.502 -13.053 1.00 74.02 H new ATOM 0 HB2 GLU A 10 9.229 2.601 -11.658 1.00 72.04 H new ATOM 0 HB3 GLU A 10 8.541 1.412 -10.570 1.00 72.04 H new ATOM 0 HG2 GLU A 10 10.506 -0.074 -10.990 1.00 52.51 H new ATOM 0 HG3 GLU A 10 11.199 1.162 -12.021 1.00 52.51 H new ATOM 155 N GLN A 11 10.017 -0.686 -13.747 1.00 31.23 N ATOM 156 CA GLN A 11 11.009 -1.094 -14.734 1.00 41.34 C ATOM 157 C GLN A 11 10.336 -1.655 -15.983 1.00 1.43 C ATOM 158 O GLN A 11 10.992 -2.244 -16.843 1.00 51.30 O ATOM 159 CB GLN A 11 11.955 -2.138 -14.138 1.00 13.43 C ATOM 160 CG GLN A 11 11.342 -3.525 -14.034 1.00 61.04 C ATOM 161 CD GLN A 11 12.310 -4.550 -13.477 1.00 72.20 C ATOM 162 OE1 GLN A 11 12.705 -5.489 -14.169 1.00 51.34 O ATOM 163 NE2 GLN A 11 12.698 -4.376 -12.219 1.00 74.10 N ATOM 0 H GLN A 11 9.750 -1.419 -13.090 1.00 31.23 H new ATOM 0 HA GLN A 11 11.585 -0.213 -15.018 1.00 41.34 H new ATOM 0 HB2 GLN A 11 12.855 -2.193 -14.751 1.00 13.43 H new ATOM 0 HB3 GLN A 11 12.264 -1.811 -13.145 1.00 13.43 H new ATOM 0 HG2 GLN A 11 10.459 -3.481 -13.397 1.00 61.04 H new ATOM 0 HG3 GLN A 11 11.007 -3.845 -15.021 1.00 61.04 H new ATOM 0 HE21 GLN A 11 12.346 -3.584 -11.682 1.00 74.10 H new ATOM 0 HE22 GLN A 11 13.348 -5.035 -11.790 1.00 74.10 H new ATOM 172 N LEU A 12 9.024 -1.468 -16.076 1.00 21.44 N ATOM 173 CA LEU A 12 8.261 -1.956 -17.219 1.00 61.23 C ATOM 174 C LEU A 12 8.493 -1.076 -18.444 1.00 33.34 C ATOM 175 O LEU A 12 9.085 -0.001 -18.346 1.00 54.33 O ATOM 176 CB LEU A 12 6.770 -1.998 -16.882 1.00 73.20 C ATOM 177 CG LEU A 12 6.355 -2.988 -15.793 1.00 65.51 C ATOM 178 CD1 LEU A 12 4.867 -2.871 -15.503 1.00 61.53 C ATOM 179 CD2 LEU A 12 6.711 -4.410 -16.202 1.00 71.51 C ATOM 0 H LEU A 12 8.467 -0.982 -15.374 1.00 21.44 H new ATOM 0 HA LEU A 12 8.603 -2.965 -17.449 1.00 61.23 H new ATOM 0 HB2 LEU A 12 6.459 -0.999 -16.575 1.00 73.20 H new ATOM 0 HB3 LEU A 12 6.219 -2.237 -17.792 1.00 73.20 H new ATOM 0 HG LEU A 12 6.901 -2.746 -14.881 1.00 65.51 H new ATOM 0 HD11 LEU A 12 4.591 -3.583 -14.726 1.00 61.53 H new ATOM 0 HD12 LEU A 12 4.640 -1.860 -15.166 1.00 61.53 H new ATOM 0 HD13 LEU A 12 4.302 -3.086 -16.410 1.00 61.53 H new ATOM 0 HD21 LEU A 12 6.409 -5.101 -15.415 1.00 71.51 H new ATOM 0 HD22 LEU A 12 6.193 -4.663 -17.127 1.00 71.51 H new ATOM 0 HD23 LEU A 12 7.787 -4.485 -16.357 1.00 71.51 H new ATOM 191 N THR A 13 8.020 -1.539 -19.597 1.00 21.32 N ATOM 192 CA THR A 13 8.174 -0.795 -20.840 1.00 45.31 C ATOM 193 C THR A 13 7.029 0.191 -21.036 1.00 55.24 C ATOM 194 O THR A 13 5.971 0.057 -20.422 1.00 11.20 O ATOM 195 CB THR A 13 8.239 -1.738 -22.056 1.00 34.42 C ATOM 196 OG1 THR A 13 8.128 -0.984 -23.268 1.00 32.11 O ATOM 197 CG2 THR A 13 7.128 -2.776 -21.995 1.00 13.12 C ATOM 0 H THR A 13 7.527 -2.426 -19.695 1.00 21.32 H new ATOM 0 HA THR A 13 9.113 -0.247 -20.765 1.00 45.31 H new ATOM 0 HB THR A 13 9.199 -2.254 -22.037 1.00 34.42 H new ATOM 0 HG1 THR A 13 7.818 -1.569 -23.990 1.00 32.11 H new ATOM 0 HG21 THR A 13 7.194 -3.431 -22.864 1.00 13.12 H new ATOM 0 HG22 THR A 13 7.233 -3.368 -21.086 1.00 13.12 H new ATOM 0 HG23 THR A 13 6.161 -2.274 -21.992 1.00 13.12 H new ATOM 205 N GLU A 14 7.246 1.181 -21.897 1.00 22.10 N ATOM 206 CA GLU A 14 6.230 2.189 -22.173 1.00 51.42 C ATOM 207 C GLU A 14 4.979 1.552 -22.770 1.00 73.43 C ATOM 208 O GLU A 14 3.858 1.970 -22.480 1.00 64.31 O ATOM 209 CB GLU A 14 6.780 3.251 -23.128 1.00 53.20 C ATOM 210 CG GLU A 14 8.049 3.921 -22.628 1.00 74.11 C ATOM 211 CD GLU A 14 8.453 5.111 -23.476 1.00 62.03 C ATOM 212 OE1 GLU A 14 8.985 4.895 -24.586 1.00 35.43 O ATOM 213 OE2 GLU A 14 8.239 6.258 -23.031 1.00 62.21 O ATOM 0 H GLU A 14 8.116 1.306 -22.415 1.00 22.10 H new ATOM 0 HA GLU A 14 5.960 2.663 -21.229 1.00 51.42 H new ATOM 0 HB2 GLU A 14 6.980 2.789 -24.095 1.00 53.20 H new ATOM 0 HB3 GLU A 14 6.017 4.012 -23.290 1.00 53.20 H new ATOM 0 HG2 GLU A 14 7.902 4.247 -21.598 1.00 74.11 H new ATOM 0 HG3 GLU A 14 8.861 3.193 -22.620 1.00 74.11 H new ATOM 220 N GLU A 15 5.180 0.538 -23.606 1.00 73.41 N ATOM 221 CA GLU A 15 4.068 -0.157 -24.245 1.00 50.30 C ATOM 222 C GLU A 15 3.219 -0.891 -23.211 1.00 60.24 C ATOM 223 O GLU A 15 2.025 -1.107 -23.415 1.00 72.23 O ATOM 224 CB GLU A 15 4.588 -1.146 -25.290 1.00 24.23 C ATOM 225 CG GLU A 15 4.921 -2.515 -24.719 1.00 51.34 C ATOM 226 CD GLU A 15 6.009 -3.224 -25.501 1.00 44.24 C ATOM 227 OE1 GLU A 15 7.114 -2.656 -25.631 1.00 12.22 O ATOM 228 OE2 GLU A 15 5.756 -4.348 -25.984 1.00 2.31 O ATOM 0 H GLU A 15 6.102 0.180 -23.856 1.00 73.41 H new ATOM 0 HA GLU A 15 3.444 0.587 -24.740 1.00 50.30 H new ATOM 0 HB2 GLU A 15 3.839 -1.261 -26.074 1.00 24.23 H new ATOM 0 HB3 GLU A 15 5.480 -0.731 -25.759 1.00 24.23 H new ATOM 0 HG2 GLU A 15 5.237 -2.405 -23.682 1.00 51.34 H new ATOM 0 HG3 GLU A 15 4.022 -3.131 -24.714 1.00 51.34 H new ATOM 235 N GLN A 16 3.845 -1.272 -22.103 1.00 24.22 N ATOM 236 CA GLN A 16 3.148 -1.983 -21.038 1.00 20.41 C ATOM 237 C GLN A 16 2.170 -1.062 -20.318 1.00 13.44 C ATOM 238 O GLN A 16 0.983 -1.369 -20.199 1.00 3.53 O ATOM 239 CB GLN A 16 4.152 -2.561 -20.039 1.00 62.42 C ATOM 240 CG GLN A 16 4.559 -3.994 -20.346 1.00 3.44 C ATOM 241 CD GLN A 16 5.590 -4.529 -19.371 1.00 13.32 C ATOM 242 OE1 GLN A 16 6.680 -3.973 -19.236 1.00 24.45 O ATOM 243 NE2 GLN A 16 5.249 -5.613 -18.685 1.00 32.33 N ATOM 0 H GLN A 16 4.833 -1.100 -21.919 1.00 24.22 H new ATOM 0 HA GLN A 16 2.585 -2.800 -21.490 1.00 20.41 H new ATOM 0 HB2 GLN A 16 5.043 -1.933 -20.028 1.00 62.42 H new ATOM 0 HB3 GLN A 16 3.721 -2.521 -19.039 1.00 62.42 H new ATOM 0 HG2 GLN A 16 3.676 -4.632 -20.321 1.00 3.44 H new ATOM 0 HG3 GLN A 16 4.961 -4.045 -21.358 1.00 3.44 H new ATOM 0 HE21 GLN A 16 4.334 -6.041 -18.829 1.00 32.33 H new ATOM 0 HE22 GLN A 16 5.902 -6.018 -18.014 1.00 32.33 H new ATOM 252 N LYS A 17 2.675 0.070 -19.838 1.00 34.14 N ATOM 253 CA LYS A 17 1.846 1.038 -19.129 1.00 41.22 C ATOM 254 C LYS A 17 0.719 1.547 -20.022 1.00 63.15 C ATOM 255 O LYS A 17 -0.414 1.714 -19.573 1.00 42.05 O ATOM 256 CB LYS A 17 2.699 2.214 -18.647 1.00 30.34 C ATOM 257 CG LYS A 17 3.113 2.107 -17.189 1.00 53.11 C ATOM 258 CD LYS A 17 3.806 0.786 -16.901 1.00 42.05 C ATOM 259 CE LYS A 17 4.361 0.744 -15.486 1.00 11.32 C ATOM 260 NZ LYS A 17 3.337 1.134 -14.477 1.00 51.12 N ATOM 0 H LYS A 17 3.655 0.339 -19.927 1.00 34.14 H new ATOM 0 HA LYS A 17 1.405 0.538 -18.266 1.00 41.22 H new ATOM 0 HB2 LYS A 17 3.594 2.281 -19.266 1.00 30.34 H new ATOM 0 HB3 LYS A 17 2.142 3.140 -18.791 1.00 30.34 H new ATOM 0 HG2 LYS A 17 3.781 2.931 -16.938 1.00 53.11 H new ATOM 0 HG3 LYS A 17 2.234 2.204 -16.552 1.00 53.11 H new ATOM 0 HD2 LYS A 17 3.101 -0.034 -17.041 1.00 42.05 H new ATOM 0 HD3 LYS A 17 4.616 0.636 -17.615 1.00 42.05 H new ATOM 0 HE2 LYS A 17 4.722 -0.261 -15.267 1.00 11.32 H new ATOM 0 HE3 LYS A 17 5.218 1.414 -15.412 1.00 11.32 H new ATOM 0 HZ1 LYS A 17 3.802 1.323 -13.566 1.00 51.12 H new ATOM 0 HZ2 LYS A 17 2.842 1.991 -14.798 1.00 51.12 H new ATOM 0 HZ3 LYS A 17 2.651 0.361 -14.362 1.00 51.12 H new ATOM 274 N ASN A 18 1.039 1.790 -21.290 1.00 34.14 N ATOM 275 CA ASN A 18 0.052 2.279 -22.246 1.00 61.21 C ATOM 276 C ASN A 18 -1.091 1.281 -22.407 1.00 22.12 C ATOM 277 O ASN A 18 -2.256 1.666 -22.494 1.00 10.51 O ATOM 278 CB ASN A 18 0.711 2.539 -23.602 1.00 63.01 C ATOM 279 CG ASN A 18 1.204 3.967 -23.741 1.00 74.42 C ATOM 280 OD1 ASN A 18 0.451 4.918 -23.531 1.00 71.21 O ATOM 281 ND2 ASN A 18 2.473 4.122 -24.097 1.00 44.33 N ATOM 0 H ASN A 18 1.973 1.656 -21.678 1.00 34.14 H new ATOM 0 HA ASN A 18 -0.357 3.214 -21.862 1.00 61.21 H new ATOM 0 HB2 ASN A 18 1.549 1.854 -23.733 1.00 63.01 H new ATOM 0 HB3 ASN A 18 -0.003 2.325 -24.397 1.00 63.01 H new ATOM 0 HD21 ASN A 18 2.861 5.059 -24.207 1.00 44.33 H new ATOM 0 HD22 ASN A 18 3.060 3.304 -24.261 1.00 44.33 H new ATOM 288 N GLU A 19 -0.747 -0.003 -22.445 1.00 15.24 N ATOM 289 CA GLU A 19 -1.745 -1.056 -22.595 1.00 12.51 C ATOM 290 C GLU A 19 -2.625 -1.153 -21.352 1.00 53.40 C ATOM 291 O GLU A 19 -3.842 -1.312 -21.450 1.00 71.12 O ATOM 292 CB GLU A 19 -1.064 -2.400 -22.857 1.00 74.45 C ATOM 293 CG GLU A 19 -0.602 -2.578 -24.294 1.00 31.51 C ATOM 294 CD GLU A 19 0.266 -3.808 -24.479 1.00 44.41 C ATOM 295 OE1 GLU A 19 1.326 -3.890 -23.824 1.00 21.31 O ATOM 296 OE2 GLU A 19 -0.115 -4.687 -25.280 1.00 24.22 O ATOM 0 H GLU A 19 0.214 -0.339 -22.374 1.00 15.24 H new ATOM 0 HA GLU A 19 -2.376 -0.804 -23.447 1.00 12.51 H new ATOM 0 HB2 GLU A 19 -0.205 -2.498 -22.193 1.00 74.45 H new ATOM 0 HB3 GLU A 19 -1.756 -3.204 -22.604 1.00 74.45 H new ATOM 0 HG2 GLU A 19 -1.473 -2.651 -24.945 1.00 31.51 H new ATOM 0 HG3 GLU A 19 -0.045 -1.694 -24.605 1.00 31.51 H new ATOM 303 N PHE A 20 -2.001 -1.056 -20.183 1.00 43.10 N ATOM 304 CA PHE A 20 -2.726 -1.134 -18.920 1.00 64.22 C ATOM 305 C PHE A 20 -3.661 0.060 -18.755 1.00 2.12 C ATOM 306 O PHE A 20 -4.862 -0.102 -18.539 1.00 20.14 O ATOM 307 CB PHE A 20 -1.745 -1.194 -17.747 1.00 64.35 C ATOM 308 CG PHE A 20 -0.646 -2.202 -17.936 1.00 15.34 C ATOM 309 CD1 PHE A 20 -0.872 -3.366 -18.651 1.00 61.43 C ATOM 310 CD2 PHE A 20 0.611 -1.984 -17.396 1.00 61.01 C ATOM 311 CE1 PHE A 20 0.137 -4.295 -18.827 1.00 35.34 C ATOM 312 CE2 PHE A 20 1.623 -2.909 -17.568 1.00 64.14 C ATOM 313 CZ PHE A 20 1.386 -4.067 -18.283 1.00 54.34 C ATOM 0 H PHE A 20 -0.995 -0.923 -20.084 1.00 43.10 H new ATOM 0 HA PHE A 20 -3.326 -2.044 -18.930 1.00 64.22 H new ATOM 0 HB2 PHE A 20 -1.302 -0.208 -17.603 1.00 64.35 H new ATOM 0 HB3 PHE A 20 -2.294 -1.433 -16.836 1.00 64.35 H new ATOM 0 HD1 PHE A 20 -1.848 -3.550 -19.076 1.00 61.43 H new ATOM 0 HD2 PHE A 20 0.802 -1.081 -16.835 1.00 61.01 H new ATOM 0 HE1 PHE A 20 -0.051 -5.198 -19.389 1.00 35.34 H new ATOM 0 HE2 PHE A 20 2.599 -2.727 -17.143 1.00 64.14 H new ATOM 0 HZ PHE A 20 2.175 -4.792 -18.416 1.00 54.34 H new ATOM 323 N LYS A 21 -3.101 1.261 -18.858 1.00 30.25 N ATOM 324 CA LYS A 21 -3.883 2.484 -18.721 1.00 5.05 C ATOM 325 C LYS A 21 -5.066 2.484 -19.683 1.00 42.41 C ATOM 326 O LYS A 21 -6.092 3.111 -19.420 1.00 44.31 O ATOM 327 CB LYS A 21 -3.001 3.708 -18.978 1.00 52.34 C ATOM 328 CG LYS A 21 -3.515 4.977 -18.321 1.00 13.22 C ATOM 329 CD LYS A 21 -2.439 6.048 -18.257 1.00 61.22 C ATOM 330 CE LYS A 21 -2.976 7.344 -17.669 1.00 23.31 C ATOM 331 NZ LYS A 21 -1.982 8.449 -17.763 1.00 30.25 N ATOM 0 H LYS A 21 -2.108 1.413 -19.036 1.00 30.25 H new ATOM 0 HA LYS A 21 -4.267 2.528 -17.702 1.00 5.05 H new ATOM 0 HB2 LYS A 21 -1.994 3.503 -18.614 1.00 52.34 H new ATOM 0 HB3 LYS A 21 -2.924 3.871 -20.053 1.00 52.34 H new ATOM 0 HG2 LYS A 21 -4.372 5.354 -18.878 1.00 13.22 H new ATOM 0 HG3 LYS A 21 -3.864 4.750 -17.314 1.00 13.22 H new ATOM 0 HD2 LYS A 21 -1.605 5.691 -17.653 1.00 61.22 H new ATOM 0 HD3 LYS A 21 -2.050 6.235 -19.258 1.00 61.22 H new ATOM 0 HE2 LYS A 21 -3.888 7.630 -18.193 1.00 23.31 H new ATOM 0 HE3 LYS A 21 -3.245 7.185 -16.625 1.00 23.31 H new ATOM 0 HZ1 LYS A 21 -2.386 9.315 -17.352 1.00 30.25 H new ATOM 0 HZ2 LYS A 21 -1.121 8.187 -17.242 1.00 30.25 H new ATOM 0 HZ3 LYS A 21 -1.744 8.618 -18.761 1.00 30.25 H new ATOM 345 N ALA A 22 -4.916 1.777 -20.798 1.00 31.31 N ATOM 346 CA ALA A 22 -5.974 1.693 -21.797 1.00 63.05 C ATOM 347 C ALA A 22 -7.044 0.689 -21.382 1.00 1.54 C ATOM 348 O ALA A 22 -8.229 1.018 -21.327 1.00 44.03 O ATOM 349 CB ALA A 22 -5.391 1.316 -23.152 1.00 34.24 C ATOM 0 H ALA A 22 -4.072 1.254 -21.032 1.00 31.31 H new ATOM 0 HA ALA A 22 -6.444 2.673 -21.875 1.00 63.05 H new ATOM 0 HB1 ALA A 22 -6.192 1.257 -23.889 1.00 34.24 H new ATOM 0 HB2 ALA A 22 -4.669 2.072 -23.461 1.00 34.24 H new ATOM 0 HB3 ALA A 22 -4.894 0.349 -23.078 1.00 34.24 H new ATOM 355 N ALA A 23 -6.619 -0.535 -21.090 1.00 24.33 N ATOM 356 CA ALA A 23 -7.541 -1.586 -20.678 1.00 22.24 C ATOM 357 C ALA A 23 -8.274 -1.202 -19.397 1.00 23.23 C ATOM 358 O ALA A 23 -9.323 -1.762 -19.078 1.00 52.25 O ATOM 359 CB ALA A 23 -6.795 -2.899 -20.488 1.00 4.41 C ATOM 0 H ALA A 23 -5.642 -0.824 -21.131 1.00 24.33 H new ATOM 0 HA ALA A 23 -8.283 -1.713 -21.466 1.00 22.24 H new ATOM 0 HB1 ALA A 23 -7.496 -3.675 -20.180 1.00 4.41 H new ATOM 0 HB2 ALA A 23 -6.323 -3.188 -21.427 1.00 4.41 H new ATOM 0 HB3 ALA A 23 -6.031 -2.776 -19.721 1.00 4.41 H new ATOM 365 N PHE A 24 -7.714 -0.245 -18.665 1.00 1.25 N ATOM 366 CA PHE A 24 -8.314 0.213 -17.417 1.00 22.34 C ATOM 367 C PHE A 24 -9.556 1.056 -17.687 1.00 75.34 C ATOM 368 O PHE A 24 -10.518 1.027 -16.920 1.00 13.55 O ATOM 369 CB PHE A 24 -7.300 1.023 -16.606 1.00 54.41 C ATOM 370 CG PHE A 24 -7.811 1.445 -15.258 1.00 10.30 C ATOM 371 CD1 PHE A 24 -8.477 2.650 -15.101 1.00 13.02 C ATOM 372 CD2 PHE A 24 -7.625 0.637 -14.148 1.00 53.01 C ATOM 373 CE1 PHE A 24 -8.947 3.041 -13.861 1.00 73.23 C ATOM 374 CE2 PHE A 24 -8.094 1.022 -12.906 1.00 44.40 C ATOM 375 CZ PHE A 24 -8.756 2.226 -12.763 1.00 34.52 C ATOM 0 H PHE A 24 -6.846 0.229 -18.914 1.00 1.25 H new ATOM 0 HA PHE A 24 -8.611 -0.665 -16.843 1.00 22.34 H new ATOM 0 HB2 PHE A 24 -6.395 0.429 -16.473 1.00 54.41 H new ATOM 0 HB3 PHE A 24 -7.019 1.910 -17.173 1.00 54.41 H new ATOM 0 HD1 PHE A 24 -8.631 3.291 -15.957 1.00 13.02 H new ATOM 0 HD2 PHE A 24 -7.107 -0.305 -14.254 1.00 53.01 H new ATOM 0 HE1 PHE A 24 -9.463 3.983 -13.751 1.00 73.23 H new ATOM 0 HE2 PHE A 24 -7.943 0.383 -12.049 1.00 44.40 H new ATOM 0 HZ PHE A 24 -9.124 2.529 -11.794 1.00 34.52 H new ATOM 385 N ASP A 25 -9.528 1.805 -18.784 1.00 0.11 N ATOM 386 CA ASP A 25 -10.652 2.656 -19.158 1.00 5.44 C ATOM 387 C ASP A 25 -11.871 1.817 -19.523 1.00 74.44 C ATOM 388 O ASP A 25 -13.001 2.159 -19.171 1.00 24.51 O ATOM 389 CB ASP A 25 -10.267 3.558 -20.332 1.00 12.35 C ATOM 390 CG ASP A 25 -11.340 4.581 -20.651 1.00 61.35 C ATOM 391 OD1 ASP A 25 -12.374 4.193 -21.235 1.00 51.30 O ATOM 392 OD2 ASP A 25 -11.146 5.768 -20.318 1.00 2.04 O ATOM 0 H ASP A 25 -8.739 1.840 -19.430 1.00 0.11 H new ATOM 0 HA ASP A 25 -10.906 3.278 -18.300 1.00 5.44 H new ATOM 0 HB2 ASP A 25 -9.335 4.073 -20.100 1.00 12.35 H new ATOM 0 HB3 ASP A 25 -10.081 2.944 -21.213 1.00 12.35 H new ATOM 397 N ILE A 26 -11.636 0.718 -20.233 1.00 20.04 N ATOM 398 CA ILE A 26 -12.716 -0.170 -20.646 1.00 5.12 C ATOM 399 C ILE A 26 -13.372 -0.835 -19.441 1.00 20.02 C ATOM 400 O ILE A 26 -14.549 -1.193 -19.481 1.00 33.24 O ATOM 401 CB ILE A 26 -12.210 -1.261 -21.608 1.00 60.01 C ATOM 402 CG1 ILE A 26 -11.695 -0.630 -22.903 1.00 62.44 C ATOM 403 CG2 ILE A 26 -13.318 -2.261 -21.903 1.00 65.35 C ATOM 404 CD1 ILE A 26 -10.188 -0.517 -22.962 1.00 45.33 C ATOM 0 H ILE A 26 -10.708 0.422 -20.534 1.00 20.04 H new ATOM 0 HA ILE A 26 -13.452 0.446 -21.163 1.00 5.12 H new ATOM 0 HB ILE A 26 -11.385 -1.792 -21.132 1.00 60.01 H new ATOM 0 HG12 ILE A 26 -12.040 -1.224 -23.749 1.00 62.44 H new ATOM 0 HG13 ILE A 26 -12.130 0.363 -23.012 1.00 62.44 H new ATOM 0 HG21 ILE A 26 -12.946 -3.026 -22.584 1.00 65.35 H new ATOM 0 HG22 ILE A 26 -13.642 -2.729 -20.974 1.00 65.35 H new ATOM 0 HG23 ILE A 26 -14.161 -1.745 -22.363 1.00 65.35 H new ATOM 0 HD11 ILE A 26 -9.894 -0.061 -23.907 1.00 45.33 H new ATOM 0 HD12 ILE A 26 -9.837 0.102 -22.136 1.00 45.33 H new ATOM 0 HD13 ILE A 26 -9.745 -1.510 -22.885 1.00 45.33 H new ATOM 416 N PHE A 27 -12.603 -0.996 -18.369 1.00 11.21 N ATOM 417 CA PHE A 27 -13.110 -1.617 -17.151 1.00 21.22 C ATOM 418 C PHE A 27 -13.971 -0.638 -16.359 1.00 33.04 C ATOM 419 O PHE A 27 -15.002 -1.013 -15.799 1.00 2.51 O ATOM 420 CB PHE A 27 -11.950 -2.110 -16.284 1.00 24.23 C ATOM 421 CG PHE A 27 -11.446 -3.470 -16.674 1.00 22.45 C ATOM 422 CD1 PHE A 27 -11.123 -3.753 -17.991 1.00 50.21 C ATOM 423 CD2 PHE A 27 -11.294 -4.466 -15.722 1.00 74.54 C ATOM 424 CE1 PHE A 27 -10.660 -5.004 -18.352 1.00 50.14 C ATOM 425 CE2 PHE A 27 -10.831 -5.719 -16.078 1.00 33.42 C ATOM 426 CZ PHE A 27 -10.513 -5.988 -17.394 1.00 42.05 C ATOM 0 H PHE A 27 -11.627 -0.705 -18.319 1.00 11.21 H new ATOM 0 HA PHE A 27 -13.728 -2.468 -17.437 1.00 21.22 H new ATOM 0 HB2 PHE A 27 -11.130 -1.395 -16.348 1.00 24.23 H new ATOM 0 HB3 PHE A 27 -12.270 -2.135 -15.242 1.00 24.23 H new ATOM 0 HD1 PHE A 27 -11.234 -2.987 -18.744 1.00 50.21 H new ATOM 0 HD2 PHE A 27 -11.540 -4.261 -14.691 1.00 74.54 H new ATOM 0 HE1 PHE A 27 -10.413 -5.212 -19.383 1.00 50.14 H new ATOM 0 HE2 PHE A 27 -10.718 -6.487 -15.327 1.00 33.42 H new ATOM 0 HZ PHE A 27 -10.150 -6.966 -17.674 1.00 42.05 H new ATOM 436 N VAL A 28 -13.541 0.619 -16.316 1.00 22.14 N ATOM 437 CA VAL A 28 -14.272 1.653 -15.593 1.00 23.01 C ATOM 438 C VAL A 28 -15.377 2.250 -16.456 1.00 72.15 C ATOM 439 O VAL A 28 -16.045 3.205 -16.057 1.00 44.24 O ATOM 440 CB VAL A 28 -13.333 2.782 -15.127 1.00 72.00 C ATOM 441 CG1 VAL A 28 -12.160 2.212 -14.344 1.00 41.44 C ATOM 442 CG2 VAL A 28 -12.847 3.595 -16.317 1.00 64.11 C ATOM 0 H VAL A 28 -12.690 0.946 -16.773 1.00 22.14 H new ATOM 0 HA VAL A 28 -14.716 1.175 -14.719 1.00 23.01 H new ATOM 0 HB VAL A 28 -13.891 3.446 -14.466 1.00 72.00 H new ATOM 0 HG11 VAL A 28 -11.508 3.024 -14.023 1.00 41.44 H new ATOM 0 HG12 VAL A 28 -12.531 1.678 -13.469 1.00 41.44 H new ATOM 0 HG13 VAL A 28 -11.599 1.525 -14.978 1.00 41.44 H new ATOM 0 HG21 VAL A 28 -12.185 4.388 -15.970 1.00 64.11 H new ATOM 0 HG22 VAL A 28 -12.306 2.945 -17.005 1.00 64.11 H new ATOM 0 HG23 VAL A 28 -13.702 4.035 -16.831 1.00 64.11 H new ATOM 452 N LEU A 29 -15.567 1.681 -17.642 1.00 23.22 N ATOM 453 CA LEU A 29 -16.593 2.156 -18.563 1.00 42.04 C ATOM 454 C LEU A 29 -17.962 2.174 -17.892 1.00 31.14 C ATOM 455 O LEU A 29 -18.844 2.940 -18.277 1.00 0.20 O ATOM 456 CB LEU A 29 -16.635 1.271 -19.810 1.00 54.25 C ATOM 457 CG LEU A 29 -15.801 1.747 -21.000 1.00 50.31 C ATOM 458 CD1 LEU A 29 -15.852 0.730 -22.129 1.00 72.13 C ATOM 459 CD2 LEU A 29 -16.286 3.107 -21.482 1.00 75.41 C ATOM 0 H LEU A 29 -15.024 0.890 -17.988 1.00 23.22 H new ATOM 0 HA LEU A 29 -16.340 3.175 -18.856 1.00 42.04 H new ATOM 0 HB2 LEU A 29 -16.299 0.272 -19.533 1.00 54.25 H new ATOM 0 HB3 LEU A 29 -17.672 1.181 -20.132 1.00 54.25 H new ATOM 0 HG LEU A 29 -14.765 1.847 -20.676 1.00 50.31 H new ATOM 0 HD11 LEU A 29 -15.253 1.086 -22.967 1.00 72.13 H new ATOM 0 HD12 LEU A 29 -15.456 -0.223 -21.778 1.00 72.13 H new ATOM 0 HD13 LEU A 29 -16.884 0.597 -22.452 1.00 72.13 H new ATOM 0 HD21 LEU A 29 -15.681 3.430 -22.329 1.00 75.41 H new ATOM 0 HD22 LEU A 29 -17.329 3.034 -21.788 1.00 75.41 H new ATOM 0 HD23 LEU A 29 -16.195 3.833 -20.674 1.00 75.41 H new ATOM 471 N GLY A 30 -18.132 1.325 -16.882 1.00 62.14 N ATOM 472 CA GLY A 30 -19.395 1.261 -16.171 1.00 73.35 C ATOM 473 C GLY A 30 -19.463 2.243 -15.019 1.00 43.11 C ATOM 474 O GLY A 30 -20.544 2.688 -14.636 1.00 74.23 O ATOM 0 H GLY A 30 -17.417 0.681 -16.544 1.00 62.14 H new ATOM 0 HA2 GLY A 30 -20.210 1.464 -16.866 1.00 73.35 H new ATOM 0 HA3 GLY A 30 -19.544 0.250 -15.792 1.00 73.35 H new ATOM 478 N ALA A 31 -18.304 2.581 -14.463 1.00 42.55 N ATOM 479 CA ALA A 31 -18.236 3.518 -13.348 1.00 62.43 C ATOM 480 C ALA A 31 -18.482 4.948 -13.816 1.00 64.14 C ATOM 481 O ALA A 31 -18.452 5.232 -15.013 1.00 42.22 O ATOM 482 CB ALA A 31 -16.887 3.412 -12.653 1.00 3.45 C ATOM 0 H ALA A 31 -17.400 2.220 -14.766 1.00 42.55 H new ATOM 0 HA ALA A 31 -19.020 3.257 -12.638 1.00 62.43 H new ATOM 0 HB1 ALA A 31 -16.849 4.117 -11.822 1.00 3.45 H new ATOM 0 HB2 ALA A 31 -16.751 2.399 -12.275 1.00 3.45 H new ATOM 0 HB3 ALA A 31 -16.093 3.645 -13.363 1.00 3.45 H new ATOM 488 N GLU A 32 -18.725 5.844 -12.865 1.00 31.43 N ATOM 489 CA GLU A 32 -18.978 7.244 -13.182 1.00 3.45 C ATOM 490 C GLU A 32 -17.783 8.113 -12.799 1.00 65.22 C ATOM 491 O GLU A 32 -17.492 9.112 -13.457 1.00 51.10 O ATOM 492 CB GLU A 32 -20.232 7.736 -12.456 1.00 51.14 C ATOM 493 CG GLU A 32 -21.528 7.329 -13.138 1.00 1.52 C ATOM 494 CD GLU A 32 -22.707 8.177 -12.702 1.00 51.42 C ATOM 495 OE1 GLU A 32 -23.138 8.042 -11.538 1.00 51.12 O ATOM 496 OE2 GLU A 32 -23.199 8.977 -13.526 1.00 62.24 O ATOM 0 H GLU A 32 -18.752 5.625 -11.869 1.00 31.43 H new ATOM 0 HA GLU A 32 -19.134 7.323 -14.258 1.00 3.45 H new ATOM 0 HB2 GLU A 32 -20.229 7.346 -11.438 1.00 51.14 H new ATOM 0 HB3 GLU A 32 -20.196 8.823 -12.382 1.00 51.14 H new ATOM 0 HG2 GLU A 32 -21.407 7.410 -14.218 1.00 1.52 H new ATOM 0 HG3 GLU A 32 -21.737 6.282 -12.918 1.00 1.52 H new ATOM 503 N ASP A 33 -17.094 7.724 -11.732 1.00 12.34 N ATOM 504 CA ASP A 33 -15.930 8.466 -11.261 1.00 12.02 C ATOM 505 C ASP A 33 -14.657 7.963 -11.933 1.00 42.15 C ATOM 506 O ASP A 33 -13.701 8.715 -12.116 1.00 45.23 O ATOM 507 CB ASP A 33 -15.802 8.344 -9.742 1.00 5.44 C ATOM 508 CG ASP A 33 -17.065 8.767 -9.018 1.00 1.01 C ATOM 509 OD1 ASP A 33 -17.610 9.840 -9.352 1.00 42.11 O ATOM 510 OD2 ASP A 33 -17.509 8.024 -8.118 1.00 12.41 O ATOM 0 H ASP A 33 -17.321 6.899 -11.177 1.00 12.34 H new ATOM 0 HA ASP A 33 -16.068 9.515 -11.523 1.00 12.02 H new ATOM 0 HB2 ASP A 33 -15.566 7.312 -9.482 1.00 5.44 H new ATOM 0 HB3 ASP A 33 -14.968 8.957 -9.400 1.00 5.44 H new ATOM 515 N GLY A 34 -14.652 6.685 -12.299 1.00 23.40 N ATOM 516 CA GLY A 34 -13.490 6.103 -12.946 1.00 74.31 C ATOM 517 C GLY A 34 -12.805 5.063 -12.082 1.00 32.13 C ATOM 518 O GLY A 34 -11.597 5.135 -11.852 1.00 73.02 O ATOM 0 H GLY A 34 -15.432 6.042 -12.159 1.00 23.40 H new ATOM 0 HA2 GLY A 34 -13.793 5.646 -13.888 1.00 74.31 H new ATOM 0 HA3 GLY A 34 -12.780 6.893 -13.190 1.00 74.31 H new ATOM 522 N CYS A 35 -13.577 4.095 -11.600 1.00 21.00 N ATOM 523 CA CYS A 35 -13.037 3.037 -10.753 1.00 73.12 C ATOM 524 C CYS A 35 -13.740 1.711 -11.025 1.00 53.04 C ATOM 525 O CYS A 35 -14.691 1.650 -11.806 1.00 1.12 O ATOM 526 CB CYS A 35 -13.183 3.412 -9.278 1.00 30.23 C ATOM 527 SG CYS A 35 -11.818 4.405 -8.630 1.00 41.12 S ATOM 0 H CYS A 35 -14.578 4.021 -11.781 1.00 21.00 H new ATOM 0 HA CYS A 35 -11.979 2.922 -10.988 1.00 73.12 H new ATOM 0 HB2 CYS A 35 -14.114 3.963 -9.145 1.00 30.23 H new ATOM 0 HB3 CYS A 35 -13.266 2.499 -8.689 1.00 30.23 H new ATOM 0 HG CYS A 35 -11.253 5.054 -9.604 1.00 41.12 H new ATOM 533 N ILE A 36 -13.266 0.652 -10.379 1.00 24.05 N ATOM 534 CA ILE A 36 -13.849 -0.673 -10.552 1.00 5.35 C ATOM 535 C ILE A 36 -14.180 -1.308 -9.205 1.00 45.32 C ATOM 536 O ILE A 36 -13.291 -1.563 -8.392 1.00 51.52 O ATOM 537 CB ILE A 36 -12.902 -1.607 -11.328 1.00 72.13 C ATOM 538 CG1 ILE A 36 -12.550 -0.998 -12.687 1.00 13.41 C ATOM 539 CG2 ILE A 36 -13.539 -2.978 -11.505 1.00 42.54 C ATOM 540 CD1 ILE A 36 -11.063 -0.937 -12.955 1.00 62.30 C ATOM 0 H ILE A 36 -12.479 0.685 -9.731 1.00 24.05 H new ATOM 0 HA ILE A 36 -14.767 -0.542 -11.125 1.00 5.35 H new ATOM 0 HB ILE A 36 -11.982 -1.726 -10.755 1.00 72.13 H new ATOM 0 HG12 ILE A 36 -13.029 -1.582 -13.473 1.00 13.41 H new ATOM 0 HG13 ILE A 36 -12.963 0.009 -12.742 1.00 13.41 H new ATOM 0 HG21 ILE A 36 -12.858 -3.627 -12.055 1.00 42.54 H new ATOM 0 HG22 ILE A 36 -13.744 -3.413 -10.527 1.00 42.54 H new ATOM 0 HG23 ILE A 36 -14.472 -2.877 -12.060 1.00 42.54 H new ATOM 0 HD11 ILE A 36 -10.888 -0.494 -13.936 1.00 62.30 H new ATOM 0 HD12 ILE A 36 -10.580 -0.328 -12.191 1.00 62.30 H new ATOM 0 HD13 ILE A 36 -10.648 -1.944 -12.932 1.00 62.30 H new ATOM 552 N SER A 37 -15.464 -1.562 -8.977 1.00 60.51 N ATOM 553 CA SER A 37 -15.913 -2.166 -7.728 1.00 74.52 C ATOM 554 C SER A 37 -16.034 -3.681 -7.870 1.00 1.23 C ATOM 555 O SER A 37 -16.233 -4.200 -8.968 1.00 71.43 O ATOM 556 CB SER A 37 -17.259 -1.574 -7.306 1.00 10.43 C ATOM 557 OG SER A 37 -18.292 -1.973 -8.189 1.00 73.14 O ATOM 0 H SER A 37 -16.212 -1.359 -9.640 1.00 60.51 H new ATOM 0 HA SER A 37 -15.171 -1.948 -6.960 1.00 74.52 H new ATOM 0 HB2 SER A 37 -17.499 -1.895 -6.292 1.00 10.43 H new ATOM 0 HB3 SER A 37 -17.192 -0.486 -7.288 1.00 10.43 H new ATOM 0 HG SER A 37 -19.142 -1.583 -7.896 1.00 73.14 H new ATOM 563 N THR A 38 -15.912 -4.385 -6.749 1.00 24.22 N ATOM 564 CA THR A 38 -16.005 -5.840 -6.746 1.00 12.40 C ATOM 565 C THR A 38 -17.316 -6.307 -7.367 1.00 35.31 C ATOM 566 O THR A 38 -17.415 -7.429 -7.864 1.00 62.31 O ATOM 567 CB THR A 38 -15.895 -6.407 -5.318 1.00 54.21 C ATOM 568 OG1 THR A 38 -16.247 -7.795 -5.314 1.00 53.10 O ATOM 569 CG2 THR A 38 -16.802 -5.646 -4.362 1.00 42.13 C ATOM 0 H THR A 38 -15.749 -3.971 -5.831 1.00 24.22 H new ATOM 0 HA THR A 38 -15.171 -6.212 -7.341 1.00 12.40 H new ATOM 0 HB THR A 38 -14.864 -6.293 -4.984 1.00 54.21 H new ATOM 0 HG1 THR A 38 -16.173 -8.149 -4.403 1.00 53.10 H new ATOM 0 HG21 THR A 38 -16.707 -6.064 -3.360 1.00 42.13 H new ATOM 0 HG22 THR A 38 -16.513 -4.595 -4.345 1.00 42.13 H new ATOM 0 HG23 THR A 38 -17.836 -5.733 -4.695 1.00 42.13 H new ATOM 577 N LYS A 39 -18.323 -5.440 -7.336 1.00 22.20 N ATOM 578 CA LYS A 39 -19.629 -5.763 -7.898 1.00 31.15 C ATOM 579 C LYS A 39 -19.538 -5.962 -9.407 1.00 54.52 C ATOM 580 O LYS A 39 -19.894 -7.020 -9.925 1.00 41.40 O ATOM 581 CB LYS A 39 -20.633 -4.653 -7.578 1.00 20.12 C ATOM 582 CG LYS A 39 -20.775 -4.371 -6.092 1.00 41.21 C ATOM 583 CD LYS A 39 -21.621 -5.427 -5.402 1.00 74.31 C ATOM 584 CE LYS A 39 -23.107 -5.136 -5.550 1.00 42.53 C ATOM 585 NZ LYS A 39 -23.496 -3.874 -4.862 1.00 4.25 N ATOM 0 H LYS A 39 -18.259 -4.508 -6.927 1.00 22.20 H new ATOM 0 HA LYS A 39 -19.971 -6.695 -7.447 1.00 31.15 H new ATOM 0 HB2 LYS A 39 -20.325 -3.739 -8.085 1.00 20.12 H new ATOM 0 HB3 LYS A 39 -21.607 -4.928 -7.982 1.00 20.12 H new ATOM 0 HG2 LYS A 39 -19.788 -4.337 -5.631 1.00 41.21 H new ATOM 0 HG3 LYS A 39 -21.228 -3.390 -5.949 1.00 41.21 H new ATOM 0 HD2 LYS A 39 -21.397 -6.407 -5.824 1.00 74.31 H new ATOM 0 HD3 LYS A 39 -21.361 -5.469 -4.344 1.00 74.31 H new ATOM 0 HE2 LYS A 39 -23.360 -5.066 -6.608 1.00 42.53 H new ATOM 0 HE3 LYS A 39 -23.682 -5.966 -5.139 1.00 42.53 H new ATOM 0 HZ1 LYS A 39 -24.509 -3.905 -4.627 1.00 4.25 H new ATOM 0 HZ2 LYS A 39 -22.941 -3.769 -3.989 1.00 4.25 H new ATOM 0 HZ3 LYS A 39 -23.310 -3.065 -5.489 1.00 4.25 H new ATOM 599 N GLU A 40 -19.059 -4.938 -10.106 1.00 50.45 N ATOM 600 CA GLU A 40 -18.922 -5.002 -11.557 1.00 4.53 C ATOM 601 C GLU A 40 -17.730 -5.869 -11.953 1.00 11.04 C ATOM 602 O GLU A 40 -17.778 -6.592 -12.949 1.00 5.31 O ATOM 603 CB GLU A 40 -18.758 -3.596 -12.138 1.00 54.33 C ATOM 604 CG GLU A 40 -19.734 -2.582 -11.564 1.00 73.40 C ATOM 605 CD GLU A 40 -21.182 -2.966 -11.804 1.00 3.41 C ATOM 606 OE1 GLU A 40 -21.629 -2.894 -12.968 1.00 4.31 O ATOM 607 OE2 GLU A 40 -21.867 -3.337 -10.829 1.00 12.25 O ATOM 0 H GLU A 40 -18.760 -4.055 -9.692 1.00 50.45 H new ATOM 0 HA GLU A 40 -19.828 -5.452 -11.962 1.00 4.53 H new ATOM 0 HB2 GLU A 40 -17.740 -3.252 -11.954 1.00 54.33 H new ATOM 0 HB3 GLU A 40 -18.888 -3.641 -13.219 1.00 54.33 H new ATOM 0 HG2 GLU A 40 -19.561 -2.483 -10.492 1.00 73.40 H new ATOM 0 HG3 GLU A 40 -19.542 -1.606 -12.009 1.00 73.40 H new ATOM 614 N LEU A 41 -16.662 -5.792 -11.166 1.00 14.50 N ATOM 615 CA LEU A 41 -15.457 -6.569 -11.433 1.00 52.23 C ATOM 616 C LEU A 41 -15.789 -8.048 -11.600 1.00 71.13 C ATOM 617 O LEU A 41 -15.151 -8.754 -12.380 1.00 42.10 O ATOM 618 CB LEU A 41 -14.447 -6.386 -10.299 1.00 42.15 C ATOM 619 CG LEU A 41 -13.127 -7.143 -10.448 1.00 62.40 C ATOM 620 CD1 LEU A 41 -12.621 -7.058 -11.880 1.00 23.34 C ATOM 621 CD2 LEU A 41 -12.087 -6.599 -9.480 1.00 12.55 C ATOM 0 H LEU A 41 -16.606 -5.199 -10.338 1.00 14.50 H new ATOM 0 HA LEU A 41 -15.019 -6.207 -12.363 1.00 52.23 H new ATOM 0 HB2 LEU A 41 -14.225 -5.323 -10.205 1.00 42.15 H new ATOM 0 HB3 LEU A 41 -14.918 -6.697 -9.366 1.00 42.15 H new ATOM 0 HG LEU A 41 -13.303 -8.192 -10.208 1.00 62.40 H new ATOM 0 HD11 LEU A 41 -11.681 -7.603 -11.967 1.00 23.34 H new ATOM 0 HD12 LEU A 41 -13.358 -7.497 -12.553 1.00 23.34 H new ATOM 0 HD13 LEU A 41 -12.461 -6.014 -12.148 1.00 23.34 H new ATOM 0 HD21 LEU A 41 -11.154 -7.150 -9.601 1.00 12.55 H new ATOM 0 HD22 LEU A 41 -11.914 -5.543 -9.687 1.00 12.55 H new ATOM 0 HD23 LEU A 41 -12.447 -6.714 -8.457 1.00 12.55 H new ATOM 633 N GLY A 42 -16.794 -8.511 -10.863 1.00 55.12 N ATOM 634 CA GLY A 42 -17.195 -9.903 -10.946 1.00 34.11 C ATOM 635 C GLY A 42 -17.896 -10.228 -12.250 1.00 62.33 C ATOM 636 O GLY A 42 -17.853 -11.366 -12.720 1.00 54.52 O ATOM 0 H GLY A 42 -17.338 -7.947 -10.210 1.00 55.12 H new ATOM 0 HA2 GLY A 42 -16.315 -10.538 -10.842 1.00 34.11 H new ATOM 0 HA3 GLY A 42 -17.858 -10.137 -10.113 1.00 34.11 H new ATOM 640 N LYS A 43 -18.544 -9.228 -12.837 1.00 51.02 N ATOM 641 CA LYS A 43 -19.258 -9.412 -14.095 1.00 50.22 C ATOM 642 C LYS A 43 -18.282 -9.618 -15.249 1.00 53.55 C ATOM 643 O LYS A 43 -18.368 -10.605 -15.979 1.00 62.32 O ATOM 644 CB LYS A 43 -20.153 -8.203 -14.379 1.00 23.10 C ATOM 645 CG LYS A 43 -21.301 -8.053 -13.397 1.00 14.43 C ATOM 646 CD LYS A 43 -22.256 -9.232 -13.470 1.00 73.24 C ATOM 647 CE LYS A 43 -22.878 -9.361 -14.853 1.00 1.53 C ATOM 648 NZ LYS A 43 -24.137 -10.156 -14.823 1.00 44.22 N ATOM 0 H LYS A 43 -18.590 -8.281 -12.461 1.00 51.02 H new ATOM 0 HA LYS A 43 -19.880 -10.303 -14.005 1.00 50.22 H new ATOM 0 HB2 LYS A 43 -19.545 -7.298 -14.356 1.00 23.10 H new ATOM 0 HB3 LYS A 43 -20.557 -8.290 -15.387 1.00 23.10 H new ATOM 0 HG2 LYS A 43 -20.906 -7.966 -12.385 1.00 14.43 H new ATOM 0 HG3 LYS A 43 -21.843 -7.131 -13.608 1.00 14.43 H new ATOM 0 HD2 LYS A 43 -21.722 -10.150 -13.223 1.00 73.24 H new ATOM 0 HD3 LYS A 43 -23.043 -9.111 -12.726 1.00 73.24 H new ATOM 0 HE2 LYS A 43 -23.085 -8.368 -15.252 1.00 1.53 H new ATOM 0 HE3 LYS A 43 -22.166 -9.834 -15.529 1.00 1.53 H new ATOM 0 HZ1 LYS A 43 -24.530 -10.221 -15.784 1.00 44.22 H new ATOM 0 HZ2 LYS A 43 -23.936 -11.112 -14.466 1.00 44.22 H new ATOM 0 HZ3 LYS A 43 -24.826 -9.691 -14.198 1.00 44.22 H new ATOM 662 N VAL A 44 -17.354 -8.679 -15.408 1.00 72.23 N ATOM 663 CA VAL A 44 -16.361 -8.759 -16.472 1.00 65.23 C ATOM 664 C VAL A 44 -15.668 -10.117 -16.476 1.00 61.34 C ATOM 665 O VAL A 44 -15.255 -10.611 -17.525 1.00 62.41 O ATOM 666 CB VAL A 44 -15.298 -7.653 -16.332 1.00 25.42 C ATOM 667 CG1 VAL A 44 -14.243 -7.785 -17.420 1.00 23.12 C ATOM 668 CG2 VAL A 44 -15.950 -6.280 -16.373 1.00 43.34 C ATOM 0 H VAL A 44 -17.270 -7.855 -14.813 1.00 72.23 H new ATOM 0 HA VAL A 44 -16.894 -8.623 -17.413 1.00 65.23 H new ATOM 0 HB VAL A 44 -14.805 -7.767 -15.367 1.00 25.42 H new ATOM 0 HG11 VAL A 44 -13.501 -6.995 -17.305 1.00 23.12 H new ATOM 0 HG12 VAL A 44 -13.755 -8.756 -17.338 1.00 23.12 H new ATOM 0 HG13 VAL A 44 -14.716 -7.698 -18.398 1.00 23.12 H new ATOM 0 HG21 VAL A 44 -15.184 -5.511 -16.273 1.00 43.34 H new ATOM 0 HG22 VAL A 44 -16.470 -6.153 -17.322 1.00 43.34 H new ATOM 0 HG23 VAL A 44 -16.663 -6.191 -15.553 1.00 43.34 H new ATOM 678 N MET A 45 -15.545 -10.716 -15.296 1.00 63.14 N ATOM 679 CA MET A 45 -14.903 -12.019 -15.164 1.00 72.13 C ATOM 680 C MET A 45 -15.524 -13.030 -16.123 1.00 65.13 C ATOM 681 O MET A 45 -14.854 -13.955 -16.584 1.00 4.41 O ATOM 682 CB MET A 45 -15.020 -12.525 -13.725 1.00 61.33 C ATOM 683 CG MET A 45 -14.302 -11.648 -12.712 1.00 71.24 C ATOM 684 SD MET A 45 -12.708 -12.327 -12.212 1.00 51.43 S ATOM 685 CE MET A 45 -12.021 -12.783 -13.802 1.00 44.10 C ATOM 0 H MET A 45 -15.881 -10.320 -14.418 1.00 63.14 H new ATOM 0 HA MET A 45 -13.849 -11.905 -15.417 1.00 72.13 H new ATOM 0 HB2 MET A 45 -16.074 -12.589 -13.456 1.00 61.33 H new ATOM 0 HB3 MET A 45 -14.615 -13.536 -13.670 1.00 61.33 H new ATOM 0 HG2 MET A 45 -14.153 -10.656 -13.138 1.00 71.24 H new ATOM 0 HG3 MET A 45 -14.933 -11.526 -11.832 1.00 71.24 H new ATOM 0 HE1 MET A 45 -10.999 -13.137 -13.669 1.00 44.10 H new ATOM 0 HE2 MET A 45 -12.624 -13.575 -14.245 1.00 44.10 H new ATOM 0 HE3 MET A 45 -12.021 -11.915 -14.461 1.00 44.10 H new ATOM 695 N ARG A 46 -16.806 -12.848 -16.420 1.00 33.35 N ATOM 696 CA ARG A 46 -17.517 -13.746 -17.323 1.00 5.25 C ATOM 697 C ARG A 46 -16.886 -13.730 -18.712 1.00 23.42 C ATOM 698 O ARG A 46 -16.881 -14.742 -19.413 1.00 41.52 O ATOM 699 CB ARG A 46 -18.991 -13.348 -17.416 1.00 22.23 C ATOM 700 CG ARG A 46 -19.238 -12.124 -18.281 1.00 41.43 C ATOM 701 CD ARG A 46 -20.468 -11.356 -17.822 1.00 44.33 C ATOM 702 NE ARG A 46 -20.401 -9.944 -18.191 1.00 24.13 N ATOM 703 CZ ARG A 46 -21.464 -9.151 -18.257 1.00 42.31 C ATOM 704 NH1 ARG A 46 -22.670 -9.628 -17.981 1.00 4.11 N ATOM 705 NH2 ARG A 46 -21.322 -7.877 -18.600 1.00 11.31 N ATOM 0 H ARG A 46 -17.374 -12.087 -16.049 1.00 33.35 H new ATOM 0 HA ARG A 46 -17.446 -14.757 -16.921 1.00 5.25 H new ATOM 0 HB2 ARG A 46 -19.560 -14.187 -17.817 1.00 22.23 H new ATOM 0 HB3 ARG A 46 -19.371 -13.156 -16.412 1.00 22.23 H new ATOM 0 HG2 ARG A 46 -18.366 -11.471 -18.246 1.00 41.43 H new ATOM 0 HG3 ARG A 46 -19.366 -12.431 -19.319 1.00 41.43 H new ATOM 0 HD2 ARG A 46 -21.360 -11.804 -18.261 1.00 44.33 H new ATOM 0 HD3 ARG A 46 -20.567 -11.444 -16.740 1.00 44.33 H new ATOM 0 HE ARG A 46 -19.488 -9.546 -18.410 1.00 24.13 H new ATOM 0 HH11 ARG A 46 -22.783 -10.607 -17.717 1.00 4.11 H new ATOM 0 HH12 ARG A 46 -23.485 -9.016 -18.033 1.00 4.11 H new ATOM 0 HH21 ARG A 46 -20.396 -7.506 -18.813 1.00 11.31 H new ATOM 0 HH22 ARG A 46 -22.139 -7.268 -18.651 1.00 11.31 H new ATOM 719 N MET A 47 -16.355 -12.576 -19.102 1.00 71.13 N ATOM 720 CA MET A 47 -15.721 -12.430 -20.407 1.00 51.34 C ATOM 721 C MET A 47 -14.454 -13.274 -20.494 1.00 22.10 C ATOM 722 O MET A 47 -14.170 -13.882 -21.527 1.00 42.21 O ATOM 723 CB MET A 47 -15.388 -10.961 -20.674 1.00 52.55 C ATOM 724 CG MET A 47 -16.616 -10.084 -20.864 1.00 64.14 C ATOM 725 SD MET A 47 -17.165 -10.021 -22.581 1.00 2.43 S ATOM 726 CE MET A 47 -17.532 -8.276 -22.754 1.00 62.14 C ATOM 0 H MET A 47 -16.351 -11.729 -18.534 1.00 71.13 H new ATOM 0 HA MET A 47 -16.422 -12.780 -21.165 1.00 51.34 H new ATOM 0 HB2 MET A 47 -14.800 -10.573 -19.842 1.00 52.55 H new ATOM 0 HB3 MET A 47 -14.763 -10.895 -21.565 1.00 52.55 H new ATOM 0 HG2 MET A 47 -17.427 -10.461 -20.241 1.00 64.14 H new ATOM 0 HG3 MET A 47 -16.393 -9.074 -20.520 1.00 64.14 H new ATOM 0 HE1 MET A 47 -17.885 -8.077 -23.766 1.00 62.14 H new ATOM 0 HE2 MET A 47 -18.304 -7.994 -22.039 1.00 62.14 H new ATOM 0 HE3 MET A 47 -16.630 -7.694 -22.563 1.00 62.14 H new ATOM 736 N LEU A 48 -13.695 -13.308 -19.404 1.00 12.11 N ATOM 737 CA LEU A 48 -12.457 -14.078 -19.357 1.00 33.32 C ATOM 738 C LEU A 48 -12.748 -15.576 -19.355 1.00 4.24 C ATOM 739 O LEU A 48 -11.915 -16.381 -19.769 1.00 42.44 O ATOM 740 CB LEU A 48 -11.647 -13.703 -18.115 1.00 44.43 C ATOM 741 CG LEU A 48 -11.554 -12.209 -17.801 1.00 44.01 C ATOM 742 CD1 LEU A 48 -10.622 -11.968 -16.624 1.00 24.23 C ATOM 743 CD2 LEU A 48 -11.082 -11.435 -19.024 1.00 34.13 C ATOM 0 H LEU A 48 -13.915 -12.811 -18.541 1.00 12.11 H new ATOM 0 HA LEU A 48 -11.876 -13.840 -20.248 1.00 33.32 H new ATOM 0 HB2 LEU A 48 -12.084 -14.208 -17.254 1.00 44.43 H new ATOM 0 HB3 LEU A 48 -10.636 -14.093 -18.234 1.00 44.43 H new ATOM 0 HG LEU A 48 -12.548 -11.852 -17.531 1.00 44.01 H new ATOM 0 HD11 LEU A 48 -10.568 -10.900 -16.415 1.00 24.23 H new ATOM 0 HD12 LEU A 48 -11.002 -12.491 -15.746 1.00 24.23 H new ATOM 0 HD13 LEU A 48 -9.627 -12.341 -16.866 1.00 24.23 H new ATOM 0 HD21 LEU A 48 -11.022 -10.374 -18.782 1.00 34.13 H new ATOM 0 HD22 LEU A 48 -10.098 -11.795 -19.325 1.00 34.13 H new ATOM 0 HD23 LEU A 48 -11.788 -11.581 -19.842 1.00 34.13 H new ATOM 755 N GLY A 49 -13.937 -15.942 -18.886 1.00 22.31 N ATOM 756 CA GLY A 49 -14.317 -17.342 -18.841 1.00 21.14 C ATOM 757 C GLY A 49 -14.466 -17.857 -17.423 1.00 11.23 C ATOM 758 O GLY A 49 -14.831 -19.013 -17.211 1.00 41.11 O ATOM 0 H GLY A 49 -14.643 -15.294 -18.537 1.00 22.31 H new ATOM 0 HA2 GLY A 49 -15.258 -17.477 -19.374 1.00 21.14 H new ATOM 0 HA3 GLY A 49 -13.567 -17.936 -19.363 1.00 21.14 H new ATOM 762 N GLN A 50 -14.182 -16.997 -16.450 1.00 22.12 N ATOM 763 CA GLN A 50 -14.284 -17.373 -15.045 1.00 33.13 C ATOM 764 C GLN A 50 -15.446 -16.650 -14.371 1.00 71.21 C ATOM 765 O GLN A 50 -15.787 -15.526 -14.737 1.00 65.35 O ATOM 766 CB GLN A 50 -12.978 -17.056 -14.314 1.00 35.44 C ATOM 767 CG GLN A 50 -11.928 -18.147 -14.446 1.00 4.14 C ATOM 768 CD GLN A 50 -10.753 -17.942 -13.509 1.00 33.12 C ATOM 769 OE1 GLN A 50 -10.604 -18.656 -12.517 1.00 23.30 O ATOM 770 NE2 GLN A 50 -9.912 -16.963 -13.819 1.00 41.11 N ATOM 0 H GLN A 50 -13.880 -16.036 -16.609 1.00 22.12 H new ATOM 0 HA GLN A 50 -14.469 -18.446 -14.995 1.00 33.13 H new ATOM 0 HB2 GLN A 50 -12.571 -16.122 -14.702 1.00 35.44 H new ATOM 0 HB3 GLN A 50 -13.192 -16.895 -13.257 1.00 35.44 H new ATOM 0 HG2 GLN A 50 -12.387 -19.114 -14.241 1.00 4.14 H new ATOM 0 HG3 GLN A 50 -11.567 -18.176 -15.474 1.00 4.14 H new ATOM 0 HE21 GLN A 50 -10.074 -16.396 -14.651 1.00 41.11 H new ATOM 0 HE22 GLN A 50 -9.104 -16.778 -13.225 1.00 41.11 H new ATOM 779 N ASN A 51 -16.051 -17.304 -13.384 1.00 51.25 N ATOM 780 CA ASN A 51 -17.176 -16.723 -12.660 1.00 61.41 C ATOM 781 C ASN A 51 -17.067 -17.010 -11.166 1.00 4.34 C ATOM 782 O ASN A 51 -17.855 -17.762 -10.593 1.00 72.20 O ATOM 783 CB ASN A 51 -18.497 -17.275 -13.201 1.00 42.41 C ATOM 784 CG ASN A 51 -19.698 -16.748 -12.440 1.00 20.24 C ATOM 785 OD1 ASN A 51 -20.344 -17.483 -11.693 1.00 75.20 O ATOM 786 ND2 ASN A 51 -20.002 -15.469 -12.626 1.00 74.11 N ATOM 0 H ASN A 51 -15.781 -18.235 -13.068 1.00 51.25 H new ATOM 0 HA ASN A 51 -17.153 -15.643 -12.808 1.00 61.41 H new ATOM 0 HB2 ASN A 51 -18.594 -17.012 -14.254 1.00 42.41 H new ATOM 0 HB3 ASN A 51 -18.483 -18.363 -13.144 1.00 42.41 H new ATOM 0 HD21 ASN A 51 -20.799 -15.058 -12.140 1.00 74.11 H new ATOM 0 HD22 ASN A 51 -19.438 -14.897 -13.255 1.00 74.11 H new ATOM 793 N PRO A 52 -16.066 -16.396 -10.517 1.00 41.51 N ATOM 794 CA PRO A 52 -15.830 -16.568 -9.081 1.00 10.34 C ATOM 795 C PRO A 52 -16.914 -15.911 -8.232 1.00 43.14 C ATOM 796 O PRO A 52 -17.682 -15.082 -8.721 1.00 11.44 O ATOM 797 CB PRO A 52 -14.483 -15.876 -8.857 1.00 11.21 C ATOM 798 CG PRO A 52 -14.384 -14.875 -9.956 1.00 12.11 C ATOM 799 CD PRO A 52 -15.088 -15.485 -11.136 1.00 70.23 C ATOM 0 HA PRO A 52 -15.839 -17.618 -8.790 1.00 10.34 H new ATOM 0 HB2 PRO A 52 -14.442 -15.396 -7.879 1.00 11.21 H new ATOM 0 HB3 PRO A 52 -13.660 -16.590 -8.896 1.00 11.21 H new ATOM 0 HG2 PRO A 52 -14.850 -13.932 -9.668 1.00 12.11 H new ATOM 0 HG3 PRO A 52 -13.343 -14.657 -10.193 1.00 12.11 H new ATOM 0 HD2 PRO A 52 -15.577 -14.727 -11.748 1.00 70.23 H new ATOM 0 HD3 PRO A 52 -14.395 -16.020 -11.785 1.00 70.23 H new ATOM 807 N THR A 53 -16.970 -16.286 -6.958 1.00 73.22 N ATOM 808 CA THR A 53 -17.960 -15.734 -6.042 1.00 74.32 C ATOM 809 C THR A 53 -17.758 -14.236 -5.851 1.00 42.44 C ATOM 810 O THR A 53 -16.682 -13.693 -6.105 1.00 52.12 O ATOM 811 CB THR A 53 -17.902 -16.428 -4.668 1.00 14.31 C ATOM 812 OG1 THR A 53 -16.581 -16.923 -4.425 1.00 31.34 O ATOM 813 CG2 THR A 53 -18.900 -17.574 -4.597 1.00 53.35 C ATOM 0 H THR A 53 -16.341 -16.970 -6.537 1.00 73.22 H new ATOM 0 HA THR A 53 -18.938 -15.911 -6.490 1.00 74.32 H new ATOM 0 HB THR A 53 -18.161 -15.695 -3.904 1.00 14.31 H new ATOM 0 HG1 THR A 53 -16.629 -17.863 -4.151 1.00 31.34 H new ATOM 0 HG21 THR A 53 -18.840 -18.048 -3.617 1.00 53.35 H new ATOM 0 HG22 THR A 53 -19.908 -17.189 -4.753 1.00 53.35 H new ATOM 0 HG23 THR A 53 -18.668 -18.307 -5.370 1.00 53.35 H new ATOM 821 N PRO A 54 -18.814 -13.548 -5.393 1.00 35.41 N ATOM 822 CA PRO A 54 -18.776 -12.102 -5.157 1.00 33.13 C ATOM 823 C PRO A 54 -17.896 -11.732 -3.968 1.00 1.10 C ATOM 824 O PRO A 54 -17.059 -10.835 -4.060 1.00 41.32 O ATOM 825 CB PRO A 54 -20.238 -11.751 -4.869 1.00 52.02 C ATOM 826 CG PRO A 54 -20.837 -13.014 -4.354 1.00 21.02 C ATOM 827 CD PRO A 54 -20.128 -14.131 -5.069 1.00 42.51 C ATOM 0 HA PRO A 54 -18.352 -11.562 -6.004 1.00 33.13 H new ATOM 0 HB2 PRO A 54 -20.315 -10.948 -4.135 1.00 52.02 H new ATOM 0 HB3 PRO A 54 -20.748 -11.410 -5.770 1.00 52.02 H new ATOM 0 HG2 PRO A 54 -20.706 -13.096 -3.275 1.00 21.02 H new ATOM 0 HG3 PRO A 54 -21.909 -13.045 -4.548 1.00 21.02 H new ATOM 0 HD2 PRO A 54 -20.031 -15.015 -4.438 1.00 42.51 H new ATOM 0 HD3 PRO A 54 -20.664 -14.438 -5.967 1.00 42.51 H new ATOM 835 N GLU A 55 -18.091 -12.429 -2.853 1.00 63.31 N ATOM 836 CA GLU A 55 -17.313 -12.172 -1.646 1.00 74.24 C ATOM 837 C GLU A 55 -15.836 -12.476 -1.876 1.00 43.01 C ATOM 838 O GLU A 55 -14.963 -11.867 -1.258 1.00 15.12 O ATOM 839 CB GLU A 55 -17.843 -13.013 -0.483 1.00 13.11 C ATOM 840 CG GLU A 55 -19.350 -12.924 -0.304 1.00 64.45 C ATOM 841 CD GLU A 55 -20.081 -14.099 -0.924 1.00 64.44 C ATOM 842 OE1 GLU A 55 -19.533 -14.710 -1.866 1.00 2.03 O ATOM 843 OE2 GLU A 55 -21.201 -14.408 -0.467 1.00 71.32 O ATOM 0 H GLU A 55 -18.780 -13.175 -2.760 1.00 63.31 H new ATOM 0 HA GLU A 55 -17.414 -11.116 -1.397 1.00 74.24 H new ATOM 0 HB2 GLU A 55 -17.566 -14.055 -0.643 1.00 13.11 H new ATOM 0 HB3 GLU A 55 -17.357 -12.692 0.438 1.00 13.11 H new ATOM 0 HG2 GLU A 55 -19.584 -12.876 0.760 1.00 64.45 H new ATOM 0 HG3 GLU A 55 -19.711 -11.998 -0.752 1.00 64.45 H new ATOM 850 N GLU A 56 -15.564 -13.422 -2.769 1.00 60.43 N ATOM 851 CA GLU A 56 -14.192 -13.808 -3.079 1.00 53.14 C ATOM 852 C GLU A 56 -13.446 -12.664 -3.760 1.00 12.22 C ATOM 853 O GLU A 56 -12.266 -12.433 -3.495 1.00 4.10 O ATOM 854 CB GLU A 56 -14.178 -15.046 -3.978 1.00 22.53 C ATOM 855 CG GLU A 56 -13.993 -16.348 -3.216 1.00 72.45 C ATOM 856 CD GLU A 56 -13.863 -17.548 -4.135 1.00 50.10 C ATOM 857 OE1 GLU A 56 -13.206 -17.420 -5.189 1.00 72.12 O ATOM 858 OE2 GLU A 56 -14.418 -18.615 -3.799 1.00 13.13 O ATOM 0 H GLU A 56 -16.275 -13.935 -3.290 1.00 60.43 H new ATOM 0 HA GLU A 56 -13.687 -14.042 -2.142 1.00 53.14 H new ATOM 0 HB2 GLU A 56 -15.114 -15.091 -4.536 1.00 22.53 H new ATOM 0 HB3 GLU A 56 -13.376 -14.945 -4.709 1.00 22.53 H new ATOM 0 HG2 GLU A 56 -13.103 -16.276 -2.591 1.00 72.45 H new ATOM 0 HG3 GLU A 56 -14.841 -16.497 -2.547 1.00 72.45 H new ATOM 865 N LEU A 57 -14.143 -11.951 -4.638 1.00 43.02 N ATOM 866 CA LEU A 57 -13.547 -10.831 -5.358 1.00 53.41 C ATOM 867 C LEU A 57 -13.077 -9.750 -4.390 1.00 45.22 C ATOM 868 O LEU A 57 -11.912 -9.353 -4.408 1.00 22.03 O ATOM 869 CB LEU A 57 -14.554 -10.242 -6.348 1.00 14.45 C ATOM 870 CG LEU A 57 -14.447 -10.738 -7.790 1.00 2.41 C ATOM 871 CD1 LEU A 57 -15.288 -11.989 -7.988 1.00 62.12 C ATOM 872 CD2 LEU A 57 -14.873 -9.647 -8.762 1.00 63.11 C ATOM 0 H LEU A 57 -15.121 -12.128 -4.868 1.00 43.02 H new ATOM 0 HA LEU A 57 -12.682 -11.203 -5.907 1.00 53.41 H new ATOM 0 HB2 LEU A 57 -15.559 -10.457 -5.985 1.00 14.45 H new ATOM 0 HB3 LEU A 57 -14.441 -9.158 -6.349 1.00 14.45 H new ATOM 0 HG LEU A 57 -13.406 -10.990 -7.991 1.00 2.41 H new ATOM 0 HD11 LEU A 57 -15.199 -12.327 -9.020 1.00 62.12 H new ATOM 0 HD12 LEU A 57 -14.937 -12.773 -7.318 1.00 62.12 H new ATOM 0 HD13 LEU A 57 -16.332 -11.764 -7.768 1.00 62.12 H new ATOM 0 HD21 LEU A 57 -14.790 -10.018 -9.784 1.00 63.11 H new ATOM 0 HD22 LEU A 57 -15.906 -9.364 -8.561 1.00 63.11 H new ATOM 0 HD23 LEU A 57 -14.228 -8.777 -8.638 1.00 63.11 H new ATOM 884 N GLN A 58 -13.990 -9.280 -3.546 1.00 44.13 N ATOM 885 CA GLN A 58 -13.667 -8.246 -2.570 1.00 65.20 C ATOM 886 C GLN A 58 -12.519 -8.688 -1.668 1.00 63.55 C ATOM 887 O GLN A 58 -11.802 -7.859 -1.109 1.00 62.25 O ATOM 888 CB GLN A 58 -14.896 -7.912 -1.724 1.00 31.45 C ATOM 889 CG GLN A 58 -14.578 -7.085 -0.488 1.00 71.15 C ATOM 890 CD GLN A 58 -15.679 -6.101 -0.146 1.00 12.01 C ATOM 891 OE1 GLN A 58 -16.700 -6.471 0.435 1.00 61.11 O ATOM 892 NE2 GLN A 58 -15.478 -4.838 -0.504 1.00 64.44 N ATOM 0 H GLN A 58 -14.959 -9.599 -3.518 1.00 44.13 H new ATOM 0 HA GLN A 58 -13.355 -7.354 -3.113 1.00 65.20 H new ATOM 0 HB2 GLN A 58 -15.614 -7.369 -2.339 1.00 31.45 H new ATOM 0 HB3 GLN A 58 -15.378 -8.840 -1.416 1.00 31.45 H new ATOM 0 HG2 GLN A 58 -14.416 -7.752 0.359 1.00 71.15 H new ATOM 0 HG3 GLN A 58 -13.647 -6.541 -0.649 1.00 71.15 H new ATOM 0 HE21 GLN A 58 -14.617 -4.575 -0.984 1.00 64.44 H new ATOM 0 HE22 GLN A 58 -16.184 -4.131 -0.299 1.00 64.44 H new ATOM 901 N GLU A 59 -12.351 -10.000 -1.532 1.00 74.20 N ATOM 902 CA GLU A 59 -11.291 -10.552 -0.697 1.00 2.51 C ATOM 903 C GLU A 59 -9.919 -10.103 -1.193 1.00 11.44 C ATOM 904 O GLU A 59 -9.124 -9.550 -0.433 1.00 65.33 O ATOM 905 CB GLU A 59 -11.365 -12.080 -0.683 1.00 1.25 C ATOM 906 CG GLU A 59 -10.810 -12.704 0.587 1.00 60.23 C ATOM 907 CD GLU A 59 -11.842 -12.790 1.694 1.00 11.12 C ATOM 908 OE1 GLU A 59 -12.992 -13.182 1.406 1.00 41.15 O ATOM 909 OE2 GLU A 59 -11.499 -12.465 2.850 1.00 11.23 O ATOM 0 H GLU A 59 -12.935 -10.700 -1.989 1.00 74.20 H new ATOM 0 HA GLU A 59 -11.432 -10.180 0.318 1.00 2.51 H new ATOM 0 HB2 GLU A 59 -12.404 -12.386 -0.804 1.00 1.25 H new ATOM 0 HB3 GLU A 59 -10.815 -12.470 -1.540 1.00 1.25 H new ATOM 0 HG2 GLU A 59 -10.438 -13.704 0.364 1.00 60.23 H new ATOM 0 HG3 GLU A 59 -9.959 -12.118 0.934 1.00 60.23 H new ATOM 916 N MET A 60 -9.650 -10.345 -2.471 1.00 52.23 N ATOM 917 CA MET A 60 -8.375 -9.965 -3.069 1.00 33.11 C ATOM 918 C MET A 60 -8.253 -8.448 -3.170 1.00 62.14 C ATOM 919 O MET A 60 -7.155 -7.898 -3.084 1.00 44.22 O ATOM 920 CB MET A 60 -8.230 -10.594 -4.456 1.00 74.10 C ATOM 921 CG MET A 60 -8.190 -12.113 -4.433 1.00 74.52 C ATOM 922 SD MET A 60 -7.814 -12.823 -6.048 1.00 13.33 S ATOM 923 CE MET A 60 -6.957 -14.321 -5.568 1.00 51.51 C ATOM 0 H MET A 60 -10.297 -10.802 -3.113 1.00 52.23 H new ATOM 0 HA MET A 60 -7.576 -10.334 -2.426 1.00 33.11 H new ATOM 0 HB2 MET A 60 -9.062 -10.270 -5.082 1.00 74.10 H new ATOM 0 HB3 MET A 60 -7.317 -10.222 -4.921 1.00 74.10 H new ATOM 0 HG2 MET A 60 -7.441 -12.442 -3.713 1.00 74.52 H new ATOM 0 HG3 MET A 60 -9.152 -12.493 -4.089 1.00 74.52 H new ATOM 0 HE1 MET A 60 -6.659 -14.872 -6.460 1.00 51.51 H new ATOM 0 HE2 MET A 60 -6.071 -14.063 -4.988 1.00 51.51 H new ATOM 0 HE3 MET A 60 -7.619 -14.941 -4.963 1.00 51.51 H new ATOM 933 N ILE A 61 -9.386 -7.778 -3.354 1.00 64.51 N ATOM 934 CA ILE A 61 -9.404 -6.325 -3.466 1.00 61.35 C ATOM 935 C ILE A 61 -9.042 -5.667 -2.140 1.00 11.24 C ATOM 936 O ILE A 61 -8.599 -4.519 -2.105 1.00 50.41 O ATOM 937 CB ILE A 61 -10.783 -5.813 -3.922 1.00 32.13 C ATOM 938 CG1 ILE A 61 -11.106 -6.330 -5.325 1.00 45.13 C ATOM 939 CG2 ILE A 61 -10.820 -4.293 -3.890 1.00 15.44 C ATOM 940 CD1 ILE A 61 -12.451 -5.872 -5.844 1.00 3.43 C ATOM 0 H ILE A 61 -10.303 -8.218 -3.429 1.00 64.51 H new ATOM 0 HA ILE A 61 -8.660 -6.057 -4.216 1.00 61.35 H new ATOM 0 HB ILE A 61 -11.540 -6.190 -3.234 1.00 32.13 H new ATOM 0 HG12 ILE A 61 -10.328 -5.999 -6.013 1.00 45.13 H new ATOM 0 HG13 ILE A 61 -11.081 -7.420 -5.316 1.00 45.13 H new ATOM 0 HG21 ILE A 61 -11.801 -3.946 -4.215 1.00 15.44 H new ATOM 0 HG22 ILE A 61 -10.630 -3.946 -2.874 1.00 15.44 H new ATOM 0 HG23 ILE A 61 -10.055 -3.896 -4.558 1.00 15.44 H new ATOM 0 HD11 ILE A 61 -12.612 -6.277 -6.843 1.00 3.43 H new ATOM 0 HD12 ILE A 61 -13.238 -6.226 -5.178 1.00 3.43 H new ATOM 0 HD13 ILE A 61 -12.473 -4.783 -5.886 1.00 3.43 H new ATOM 952 N ASP A 62 -9.232 -6.402 -1.050 1.00 13.25 N ATOM 953 CA ASP A 62 -8.923 -5.891 0.281 1.00 53.41 C ATOM 954 C ASP A 62 -7.422 -5.671 0.444 1.00 75.33 C ATOM 955 O ASP A 62 -6.985 -4.603 0.870 1.00 61.20 O ATOM 956 CB ASP A 62 -9.429 -6.858 1.352 1.00 12.23 C ATOM 957 CG ASP A 62 -9.124 -6.377 2.757 1.00 2.32 C ATOM 958 OD1 ASP A 62 -8.874 -5.165 2.929 1.00 54.13 O ATOM 959 OD2 ASP A 62 -9.135 -7.212 3.685 1.00 11.24 O ATOM 0 H ASP A 62 -9.599 -7.354 -1.062 1.00 13.25 H new ATOM 0 HA ASP A 62 -9.427 -4.932 0.401 1.00 53.41 H new ATOM 0 HB2 ASP A 62 -10.506 -6.987 1.241 1.00 12.23 H new ATOM 0 HB3 ASP A 62 -8.973 -7.836 1.199 1.00 12.23 H new ATOM 964 N GLU A 63 -6.640 -6.690 0.102 1.00 31.43 N ATOM 965 CA GLU A 63 -5.188 -6.609 0.213 1.00 54.50 C ATOM 966 C GLU A 63 -4.614 -5.673 -0.847 1.00 22.10 C ATOM 967 O GLU A 63 -3.516 -5.139 -0.690 1.00 64.35 O ATOM 968 CB GLU A 63 -4.565 -7.999 0.074 1.00 41.11 C ATOM 969 CG GLU A 63 -3.861 -8.479 1.332 1.00 44.31 C ATOM 970 CD GLU A 63 -4.249 -9.894 1.714 1.00 11.33 C ATOM 971 OE1 GLU A 63 -4.088 -10.801 0.871 1.00 1.11 O ATOM 972 OE2 GLU A 63 -4.714 -10.094 2.856 1.00 72.04 O ATOM 0 H GLU A 63 -6.987 -7.581 -0.254 1.00 31.43 H new ATOM 0 HA GLU A 63 -4.946 -6.208 1.197 1.00 54.50 H new ATOM 0 HB2 GLU A 63 -5.345 -8.713 -0.190 1.00 41.11 H new ATOM 0 HB3 GLU A 63 -3.851 -7.987 -0.750 1.00 41.11 H new ATOM 0 HG2 GLU A 63 -2.783 -8.430 1.181 1.00 44.31 H new ATOM 0 HG3 GLU A 63 -4.099 -7.806 2.156 1.00 44.31 H new ATOM 979 N VAL A 64 -5.365 -5.480 -1.927 1.00 5.32 N ATOM 980 CA VAL A 64 -4.931 -4.609 -3.013 1.00 54.01 C ATOM 981 C VAL A 64 -5.207 -3.145 -2.687 1.00 63.33 C ATOM 982 O VAL A 64 -4.322 -2.297 -2.799 1.00 41.33 O ATOM 983 CB VAL A 64 -5.633 -4.970 -4.336 1.00 14.13 C ATOM 984 CG1 VAL A 64 -5.236 -3.996 -5.434 1.00 60.15 C ATOM 985 CG2 VAL A 64 -5.309 -6.401 -4.737 1.00 51.13 C ATOM 0 H VAL A 64 -6.276 -5.915 -2.073 1.00 5.32 H new ATOM 0 HA VAL A 64 -3.857 -4.757 -3.128 1.00 54.01 H new ATOM 0 HB VAL A 64 -6.710 -4.894 -4.189 1.00 14.13 H new ATOM 0 HG11 VAL A 64 -5.742 -4.267 -6.361 1.00 60.15 H new ATOM 0 HG12 VAL A 64 -5.524 -2.985 -5.145 1.00 60.15 H new ATOM 0 HG13 VAL A 64 -4.157 -4.037 -5.584 1.00 60.15 H new ATOM 0 HG21 VAL A 64 -5.813 -6.639 -5.674 1.00 51.13 H new ATOM 0 HG22 VAL A 64 -4.232 -6.507 -4.867 1.00 51.13 H new ATOM 0 HG23 VAL A 64 -5.649 -7.083 -3.958 1.00 51.13 H new ATOM 995 N ASP A 65 -6.439 -2.857 -2.283 1.00 42.32 N ATOM 996 CA ASP A 65 -6.831 -1.495 -1.939 1.00 33.10 C ATOM 997 C ASP A 65 -6.044 -0.991 -0.733 1.00 51.15 C ATOM 998 O ASP A 65 -6.321 -1.372 0.403 1.00 11.54 O ATOM 999 CB ASP A 65 -8.331 -1.432 -1.647 1.00 33.43 C ATOM 1000 CG ASP A 65 -8.918 -0.061 -1.921 1.00 22.53 C ATOM 1001 OD1 ASP A 65 -8.164 0.932 -1.850 1.00 23.21 O ATOM 1002 OD2 ASP A 65 -10.131 0.018 -2.207 1.00 5.11 O ATOM 0 H ASP A 65 -7.183 -3.548 -2.186 1.00 42.32 H new ATOM 0 HA ASP A 65 -6.607 -0.853 -2.791 1.00 33.10 H new ATOM 0 HB2 ASP A 65 -8.848 -2.174 -2.256 1.00 33.43 H new ATOM 0 HB3 ASP A 65 -8.507 -1.697 -0.604 1.00 33.43 H new ATOM 1007 N GLU A 66 -5.061 -0.134 -0.991 1.00 53.43 N ATOM 1008 CA GLU A 66 -4.233 0.421 0.073 1.00 31.43 C ATOM 1009 C GLU A 66 -5.036 1.384 0.942 1.00 55.31 C ATOM 1010 O GLU A 66 -4.808 1.488 2.147 1.00 33.23 O ATOM 1011 CB GLU A 66 -3.019 1.140 -0.517 1.00 43.22 C ATOM 1012 CG GLU A 66 -2.147 0.250 -1.386 1.00 64.22 C ATOM 1013 CD GLU A 66 -0.780 0.851 -1.651 1.00 51.32 C ATOM 1014 OE1 GLU A 66 -0.241 1.520 -0.745 1.00 11.24 O ATOM 1015 OE2 GLU A 66 -0.250 0.654 -2.764 1.00 60.43 O ATOM 0 H GLU A 66 -4.819 0.191 -1.927 1.00 53.43 H new ATOM 0 HA GLU A 66 -3.889 -0.404 0.698 1.00 31.43 H new ATOM 0 HB2 GLU A 66 -3.362 1.988 -1.110 1.00 43.22 H new ATOM 0 HB3 GLU A 66 -2.415 1.543 0.296 1.00 43.22 H new ATOM 0 HG2 GLU A 66 -2.026 -0.719 -0.901 1.00 64.22 H new ATOM 0 HG3 GLU A 66 -2.651 0.070 -2.336 1.00 64.22 H new ATOM 1022 N ASP A 67 -5.977 2.088 0.321 1.00 63.43 N ATOM 1023 CA ASP A 67 -6.815 3.043 1.036 1.00 70.21 C ATOM 1024 C ASP A 67 -8.150 2.413 1.420 1.00 54.02 C ATOM 1025 O ASP A 67 -8.939 3.005 2.155 1.00 0.31 O ATOM 1026 CB ASP A 67 -7.052 4.288 0.179 1.00 24.43 C ATOM 1027 CG ASP A 67 -7.408 3.945 -1.254 1.00 14.02 C ATOM 1028 OD1 ASP A 67 -8.568 3.551 -1.499 1.00 11.21 O ATOM 1029 OD2 ASP A 67 -6.528 4.071 -2.130 1.00 53.53 O ATOM 0 H ASP A 67 -6.178 2.015 -0.676 1.00 63.43 H new ATOM 0 HA ASP A 67 -6.295 3.334 1.949 1.00 70.21 H new ATOM 0 HB2 ASP A 67 -7.855 4.880 0.618 1.00 24.43 H new ATOM 0 HB3 ASP A 67 -6.156 4.909 0.189 1.00 24.43 H new ATOM 1034 N GLY A 68 -8.398 1.208 0.915 1.00 24.13 N ATOM 1035 CA GLY A 68 -9.639 0.518 1.215 1.00 2.45 C ATOM 1036 C GLY A 68 -10.860 1.324 0.818 1.00 30.42 C ATOM 1037 O GLY A 68 -11.848 1.368 1.551 1.00 30.01 O ATOM 0 H GLY A 68 -7.761 0.697 0.303 1.00 24.13 H new ATOM 0 HA2 GLY A 68 -9.654 -0.439 0.694 1.00 2.45 H new ATOM 0 HA3 GLY A 68 -9.682 0.301 2.282 1.00 2.45 H new ATOM 1041 N SER A 69 -10.792 1.963 -0.345 1.00 14.41 N ATOM 1042 CA SER A 69 -11.899 2.776 -0.836 1.00 33.12 C ATOM 1043 C SER A 69 -13.061 1.896 -1.288 1.00 23.24 C ATOM 1044 O SER A 69 -14.191 2.362 -1.423 1.00 33.41 O ATOM 1045 CB SER A 69 -11.435 3.662 -1.994 1.00 33.52 C ATOM 1046 OG SER A 69 -10.653 2.925 -2.918 1.00 34.32 O ATOM 0 H SER A 69 -9.983 1.934 -0.965 1.00 14.41 H new ATOM 0 HA SER A 69 -12.242 3.410 -0.018 1.00 33.12 H new ATOM 0 HB2 SER A 69 -12.301 4.085 -2.502 1.00 33.52 H new ATOM 0 HB3 SER A 69 -10.853 4.498 -1.606 1.00 33.52 H new ATOM 1052 N GLY A 70 -12.772 0.619 -1.520 1.00 30.34 N ATOM 1053 CA GLY A 70 -13.801 -0.307 -1.954 1.00 34.52 C ATOM 1054 C GLY A 70 -13.705 -0.630 -3.432 1.00 31.12 C ATOM 1055 O GLY A 70 -14.501 -1.408 -3.959 1.00 52.10 O ATOM 0 H GLY A 70 -11.844 0.210 -1.415 1.00 30.34 H new ATOM 0 HA2 GLY A 70 -13.722 -1.229 -1.378 1.00 34.52 H new ATOM 0 HA3 GLY A 70 -14.782 0.119 -1.741 1.00 34.52 H new ATOM 1059 N THR A 71 -12.728 -0.030 -4.105 1.00 30.14 N ATOM 1060 CA THR A 71 -12.532 -0.255 -5.531 1.00 71.11 C ATOM 1061 C THR A 71 -11.052 -0.226 -5.894 1.00 61.32 C ATOM 1062 O THR A 71 -10.219 0.230 -5.111 1.00 0.11 O ATOM 1063 CB THR A 71 -13.276 0.798 -6.373 1.00 53.24 C ATOM 1064 OG1 THR A 71 -12.681 2.087 -6.183 1.00 74.24 O ATOM 1065 CG2 THR A 71 -14.748 0.853 -5.994 1.00 75.22 C ATOM 0 H THR A 71 -12.060 0.616 -3.684 1.00 30.14 H new ATOM 0 HA THR A 71 -12.939 -1.241 -5.754 1.00 71.11 H new ATOM 0 HB THR A 71 -13.198 0.513 -7.422 1.00 53.24 H new ATOM 0 HG1 THR A 71 -13.318 2.783 -6.447 1.00 74.24 H new ATOM 0 HG21 THR A 71 -15.252 1.604 -6.602 1.00 75.22 H new ATOM 0 HG22 THR A 71 -15.205 -0.121 -6.167 1.00 75.22 H new ATOM 0 HG23 THR A 71 -14.843 1.116 -4.940 1.00 75.22 H new ATOM 1073 N VAL A 72 -10.730 -0.716 -7.087 1.00 53.04 N ATOM 1074 CA VAL A 72 -9.350 -0.744 -7.555 1.00 64.52 C ATOM 1075 C VAL A 72 -9.084 0.378 -8.552 1.00 70.45 C ATOM 1076 O VAL A 72 -9.775 0.499 -9.564 1.00 52.50 O ATOM 1077 CB VAL A 72 -9.008 -2.094 -8.215 1.00 12.04 C ATOM 1078 CG1 VAL A 72 -8.047 -1.893 -9.377 1.00 15.25 C ATOM 1079 CG2 VAL A 72 -8.425 -3.055 -7.190 1.00 4.34 C ATOM 0 H VAL A 72 -11.407 -1.099 -7.747 1.00 53.04 H new ATOM 0 HA VAL A 72 -8.717 -0.605 -6.679 1.00 64.52 H new ATOM 0 HB VAL A 72 -9.927 -2.530 -8.607 1.00 12.04 H new ATOM 0 HG11 VAL A 72 -7.817 -2.857 -9.830 1.00 15.25 H new ATOM 0 HG12 VAL A 72 -8.507 -1.243 -10.121 1.00 15.25 H new ATOM 0 HG13 VAL A 72 -7.127 -1.435 -9.013 1.00 15.25 H new ATOM 0 HG21 VAL A 72 -8.189 -4.003 -7.673 1.00 4.34 H new ATOM 0 HG22 VAL A 72 -7.516 -2.628 -6.766 1.00 4.34 H new ATOM 0 HG23 VAL A 72 -9.151 -3.224 -6.395 1.00 4.34 H new ATOM 1089 N ASP A 73 -8.078 1.195 -8.261 1.00 32.12 N ATOM 1090 CA ASP A 73 -7.719 2.307 -9.133 1.00 13.21 C ATOM 1091 C ASP A 73 -6.558 1.929 -10.047 1.00 22.45 C ATOM 1092 O ASP A 73 -5.906 0.903 -9.847 1.00 0.41 O ATOM 1093 CB ASP A 73 -7.351 3.537 -8.301 1.00 65.33 C ATOM 1094 CG ASP A 73 -6.454 3.194 -7.128 1.00 4.20 C ATOM 1095 OD1 ASP A 73 -5.738 2.174 -7.207 1.00 31.03 O ATOM 1096 OD2 ASP A 73 -6.468 3.946 -6.131 1.00 3.04 O ATOM 0 H ASP A 73 -7.496 1.108 -7.428 1.00 32.12 H new ATOM 0 HA ASP A 73 -8.583 2.543 -9.754 1.00 13.21 H new ATOM 0 HB2 ASP A 73 -6.849 4.266 -8.937 1.00 65.33 H new ATOM 0 HB3 ASP A 73 -8.262 4.009 -7.933 1.00 65.33 H new ATOM 1101 N PHE A 74 -6.305 2.762 -11.050 1.00 50.21 N ATOM 1102 CA PHE A 74 -5.223 2.514 -11.996 1.00 75.12 C ATOM 1103 C PHE A 74 -3.913 2.240 -11.264 1.00 61.44 C ATOM 1104 O PHE A 74 -3.083 1.457 -11.727 1.00 72.42 O ATOM 1105 CB PHE A 74 -5.055 3.709 -12.936 1.00 52.42 C ATOM 1106 CG PHE A 74 -3.967 3.523 -13.954 1.00 60.15 C ATOM 1107 CD1 PHE A 74 -3.700 2.269 -14.481 1.00 3.35 C ATOM 1108 CD2 PHE A 74 -3.211 4.601 -14.385 1.00 41.22 C ATOM 1109 CE1 PHE A 74 -2.699 2.094 -15.418 1.00 12.10 C ATOM 1110 CE2 PHE A 74 -2.209 4.432 -15.323 1.00 15.24 C ATOM 1111 CZ PHE A 74 -1.952 3.177 -15.839 1.00 15.03 C ATOM 0 H PHE A 74 -6.834 3.615 -11.229 1.00 50.21 H new ATOM 0 HA PHE A 74 -5.482 1.633 -12.583 1.00 75.12 H new ATOM 0 HB2 PHE A 74 -5.998 3.890 -13.453 1.00 52.42 H new ATOM 0 HB3 PHE A 74 -4.840 4.599 -12.344 1.00 52.42 H new ATOM 0 HD1 PHE A 74 -4.281 1.419 -14.156 1.00 3.35 H new ATOM 0 HD2 PHE A 74 -3.406 5.585 -13.984 1.00 41.22 H new ATOM 0 HE1 PHE A 74 -2.501 1.112 -15.821 1.00 12.10 H new ATOM 0 HE2 PHE A 74 -1.628 5.281 -15.652 1.00 15.24 H new ATOM 0 HZ PHE A 74 -1.169 3.043 -16.570 1.00 15.03 H new ATOM 1121 N ASP A 75 -3.734 2.890 -10.120 1.00 50.32 N ATOM 1122 CA ASP A 75 -2.525 2.717 -9.323 1.00 52.10 C ATOM 1123 C ASP A 75 -2.435 1.297 -8.774 1.00 60.43 C ATOM 1124 O ASP A 75 -1.488 0.567 -9.067 1.00 52.44 O ATOM 1125 CB ASP A 75 -2.499 3.724 -8.172 1.00 41.33 C ATOM 1126 CG ASP A 75 -2.228 5.138 -8.647 1.00 2.43 C ATOM 1127 OD1 ASP A 75 -1.354 5.313 -9.522 1.00 34.03 O ATOM 1128 OD2 ASP A 75 -2.888 6.071 -8.142 1.00 74.23 O ATOM 0 H ASP A 75 -4.411 3.542 -9.723 1.00 50.32 H new ATOM 0 HA ASP A 75 -1.665 2.893 -9.969 1.00 52.10 H new ATOM 0 HB2 ASP A 75 -3.454 3.697 -7.647 1.00 41.33 H new ATOM 0 HB3 ASP A 75 -1.733 3.432 -7.454 1.00 41.33 H new ATOM 1133 N GLU A 76 -3.426 0.912 -7.976 1.00 60.21 N ATOM 1134 CA GLU A 76 -3.456 -0.421 -7.385 1.00 54.02 C ATOM 1135 C GLU A 76 -3.626 -1.490 -8.461 1.00 43.54 C ATOM 1136 O GLU A 76 -3.287 -2.654 -8.253 1.00 22.41 O ATOM 1137 CB GLU A 76 -4.592 -0.525 -6.365 1.00 3.13 C ATOM 1138 CG GLU A 76 -4.450 0.437 -5.197 1.00 31.53 C ATOM 1139 CD GLU A 76 -5.788 0.845 -4.612 1.00 32.24 C ATOM 1140 OE1 GLU A 76 -6.815 0.258 -5.011 1.00 71.42 O ATOM 1141 OE2 GLU A 76 -5.808 1.752 -3.753 1.00 63.13 O ATOM 0 H GLU A 76 -4.218 1.503 -7.724 1.00 60.21 H new ATOM 0 HA GLU A 76 -2.505 -0.587 -6.879 1.00 54.02 H new ATOM 0 HB2 GLU A 76 -5.540 -0.335 -6.868 1.00 3.13 H new ATOM 0 HB3 GLU A 76 -4.633 -1.545 -5.982 1.00 3.13 H new ATOM 0 HG2 GLU A 76 -3.844 -0.028 -4.419 1.00 31.53 H new ATOM 0 HG3 GLU A 76 -3.915 1.328 -5.527 1.00 31.53 H new ATOM 1148 N TRP A 77 -4.152 -1.084 -9.611 1.00 74.11 N ATOM 1149 CA TRP A 77 -4.368 -2.006 -10.720 1.00 64.44 C ATOM 1150 C TRP A 77 -3.040 -2.468 -11.310 1.00 44.11 C ATOM 1151 O TRP A 77 -2.810 -3.665 -11.487 1.00 73.14 O ATOM 1152 CB TRP A 77 -5.218 -1.343 -11.805 1.00 11.43 C ATOM 1153 CG TRP A 77 -5.771 -2.314 -12.803 1.00 53.12 C ATOM 1154 CD1 TRP A 77 -7.023 -2.860 -12.809 1.00 11.13 C ATOM 1155 CD2 TRP A 77 -5.090 -2.855 -13.940 1.00 73.04 C ATOM 1156 NE1 TRP A 77 -7.161 -3.708 -13.881 1.00 13.01 N ATOM 1157 CE2 TRP A 77 -5.990 -3.722 -14.591 1.00 51.22 C ATOM 1158 CE3 TRP A 77 -3.809 -2.690 -14.474 1.00 32.34 C ATOM 1159 CZ2 TRP A 77 -5.647 -4.421 -15.746 1.00 1.55 C ATOM 1160 CZ3 TRP A 77 -3.470 -3.385 -15.619 1.00 51.31 C ATOM 1161 CH2 TRP A 77 -4.386 -4.240 -16.246 1.00 21.45 C ATOM 0 H TRP A 77 -4.437 -0.123 -9.800 1.00 74.11 H new ATOM 0 HA TRP A 77 -4.898 -2.878 -10.336 1.00 64.44 H new ATOM 0 HB2 TRP A 77 -6.043 -0.808 -11.334 1.00 11.43 H new ATOM 0 HB3 TRP A 77 -4.614 -0.601 -12.327 1.00 11.43 H new ATOM 0 HD1 TRP A 77 -7.792 -2.655 -12.078 1.00 11.13 H new ATOM 0 HE1 TRP A 77 -8.000 -4.241 -14.111 1.00 13.01 H new ATOM 0 HE3 TRP A 77 -3.097 -2.031 -14.000 1.00 32.34 H new ATOM 0 HZ2 TRP A 77 -6.351 -5.082 -16.230 1.00 1.55 H new ATOM 0 HZ3 TRP A 77 -2.482 -3.267 -16.038 1.00 51.31 H new ATOM 0 HH2 TRP A 77 -4.091 -4.767 -17.142 1.00 21.45 H new ATOM 1172 N LEU A 78 -2.167 -1.513 -11.612 1.00 14.51 N ATOM 1173 CA LEU A 78 -0.861 -1.822 -12.182 1.00 4.21 C ATOM 1174 C LEU A 78 -0.101 -2.807 -11.300 1.00 31.44 C ATOM 1175 O LEU A 78 0.363 -3.847 -11.769 1.00 4.52 O ATOM 1176 CB LEU A 78 -0.043 -0.541 -12.357 1.00 25.12 C ATOM 1177 CG LEU A 78 -0.508 0.407 -13.463 1.00 21.15 C ATOM 1178 CD1 LEU A 78 0.422 1.606 -13.564 1.00 11.01 C ATOM 1179 CD2 LEU A 78 -0.585 -0.325 -14.795 1.00 11.43 C ATOM 0 H LEU A 78 -2.341 -0.518 -11.471 1.00 14.51 H new ATOM 0 HA LEU A 78 -1.018 -2.282 -13.158 1.00 4.21 H new ATOM 0 HB2 LEU A 78 -0.051 0.003 -11.413 1.00 25.12 H new ATOM 0 HB3 LEU A 78 0.992 -0.819 -12.556 1.00 25.12 H new ATOM 0 HG LEU A 78 -1.505 0.767 -13.211 1.00 21.15 H new ATOM 0 HD11 LEU A 78 0.075 2.270 -14.356 1.00 11.01 H new ATOM 0 HD12 LEU A 78 0.426 2.144 -12.616 1.00 11.01 H new ATOM 0 HD13 LEU A 78 1.432 1.265 -13.792 1.00 11.01 H new ATOM 0 HD21 LEU A 78 -0.918 0.365 -15.571 1.00 11.43 H new ATOM 0 HD22 LEU A 78 0.400 -0.714 -15.054 1.00 11.43 H new ATOM 0 HD23 LEU A 78 -1.292 -1.151 -14.716 1.00 11.43 H new ATOM 1191 N VAL A 79 0.020 -2.475 -10.018 1.00 73.22 N ATOM 1192 CA VAL A 79 0.720 -3.332 -9.069 1.00 34.41 C ATOM 1193 C VAL A 79 0.053 -4.700 -8.968 1.00 14.44 C ATOM 1194 O VAL A 79 0.706 -5.699 -8.671 1.00 72.50 O ATOM 1195 CB VAL A 79 0.771 -2.694 -7.668 1.00 45.43 C ATOM 1196 CG1 VAL A 79 1.712 -1.498 -7.661 1.00 22.41 C ATOM 1197 CG2 VAL A 79 -0.623 -2.288 -7.216 1.00 52.34 C ATOM 0 H VAL A 79 -0.358 -1.618 -9.613 1.00 73.22 H new ATOM 0 HA VAL A 79 1.737 -3.453 -9.442 1.00 34.41 H new ATOM 0 HB VAL A 79 1.155 -3.433 -6.965 1.00 45.43 H new ATOM 0 HG11 VAL A 79 1.736 -1.060 -6.663 1.00 22.41 H new ATOM 0 HG12 VAL A 79 2.715 -1.822 -7.939 1.00 22.41 H new ATOM 0 HG13 VAL A 79 1.360 -0.754 -8.376 1.00 22.41 H new ATOM 0 HG21 VAL A 79 -0.568 -1.839 -6.224 1.00 52.34 H new ATOM 0 HG22 VAL A 79 -1.037 -1.565 -7.919 1.00 52.34 H new ATOM 0 HG23 VAL A 79 -1.265 -3.168 -7.180 1.00 52.34 H new ATOM 1207 N MET A 80 -1.252 -4.735 -9.216 1.00 74.04 N ATOM 1208 CA MET A 80 -2.008 -5.981 -9.155 1.00 11.32 C ATOM 1209 C MET A 80 -1.377 -7.044 -10.047 1.00 64.52 C ATOM 1210 O MET A 80 -1.036 -8.133 -9.585 1.00 42.10 O ATOM 1211 CB MET A 80 -3.460 -5.743 -9.574 1.00 40.34 C ATOM 1212 CG MET A 80 -4.440 -6.730 -8.961 1.00 5.13 C ATOM 1213 SD MET A 80 -5.932 -6.934 -9.951 1.00 72.14 S ATOM 1214 CE MET A 80 -6.227 -5.246 -10.472 1.00 44.20 C ATOM 0 H MET A 80 -1.808 -3.916 -9.461 1.00 74.04 H new ATOM 0 HA MET A 80 -1.989 -6.338 -8.125 1.00 11.32 H new ATOM 0 HB2 MET A 80 -3.750 -4.732 -9.290 1.00 40.34 H new ATOM 0 HB3 MET A 80 -3.530 -5.801 -10.660 1.00 40.34 H new ATOM 0 HG2 MET A 80 -3.951 -7.697 -8.845 1.00 5.13 H new ATOM 0 HG3 MET A 80 -4.715 -6.390 -7.963 1.00 5.13 H new ATOM 0 HE1 MET A 80 -7.235 -5.161 -10.877 1.00 44.20 H new ATOM 0 HE2 MET A 80 -6.122 -4.578 -9.617 1.00 44.20 H new ATOM 0 HE3 MET A 80 -5.503 -4.970 -11.239 1.00 44.20 H new ATOM 1224 N MET A 81 -1.224 -6.722 -11.327 1.00 70.05 N ATOM 1225 CA MET A 81 -0.632 -7.651 -12.284 1.00 14.43 C ATOM 1226 C MET A 81 0.847 -7.872 -11.983 1.00 14.12 C ATOM 1227 O MET A 81 1.350 -8.990 -12.086 1.00 71.13 O ATOM 1228 CB MET A 81 -0.801 -7.124 -13.710 1.00 53.31 C ATOM 1229 CG MET A 81 -0.396 -5.668 -13.872 1.00 42.31 C ATOM 1230 SD MET A 81 -0.347 -5.148 -15.598 1.00 74.21 S ATOM 1231 CE MET A 81 -1.633 -6.180 -16.299 1.00 23.44 C ATOM 0 H MET A 81 -1.501 -5.825 -11.726 1.00 70.05 H new ATOM 0 HA MET A 81 -1.150 -8.606 -12.194 1.00 14.43 H new ATOM 0 HB2 MET A 81 -0.205 -7.736 -14.388 1.00 53.31 H new ATOM 0 HB3 MET A 81 -1.843 -7.238 -14.010 1.00 53.31 H new ATOM 0 HG2 MET A 81 -1.098 -5.037 -13.326 1.00 42.31 H new ATOM 0 HG3 MET A 81 0.585 -5.516 -13.423 1.00 42.31 H new ATOM 0 HE1 MET A 81 -1.947 -5.769 -17.258 1.00 23.44 H new ATOM 0 HE2 MET A 81 -1.250 -7.190 -16.445 1.00 23.44 H new ATOM 0 HE3 MET A 81 -2.486 -6.210 -15.621 1.00 23.44 H new ATOM 1241 N ALA A 82 1.537 -6.799 -11.611 1.00 22.24 N ATOM 1242 CA ALA A 82 2.958 -6.877 -11.293 1.00 74.41 C ATOM 1243 C ALA A 82 3.213 -7.866 -10.161 1.00 4.15 C ATOM 1244 O ALA A 82 4.216 -8.580 -10.162 1.00 3.01 O ATOM 1245 CB ALA A 82 3.493 -5.501 -10.926 1.00 70.32 C ATOM 0 H ALA A 82 1.135 -5.866 -11.522 1.00 22.24 H new ATOM 0 HA ALA A 82 3.485 -7.235 -12.178 1.00 74.41 H new ATOM 0 HB1 ALA A 82 4.555 -5.574 -10.691 1.00 70.32 H new ATOM 0 HB2 ALA A 82 3.353 -4.820 -11.766 1.00 70.32 H new ATOM 0 HB3 ALA A 82 2.955 -5.121 -10.058 1.00 70.32 H new ATOM 1251 N ARG A 83 2.301 -7.902 -9.195 1.00 51.50 N ATOM 1252 CA ARG A 83 2.429 -8.801 -8.055 1.00 63.42 C ATOM 1253 C ARG A 83 2.237 -10.253 -8.484 1.00 63.12 C ATOM 1254 O ARG A 83 2.714 -11.175 -7.821 1.00 14.01 O ATOM 1255 CB ARG A 83 1.409 -8.439 -6.974 1.00 42.44 C ATOM 1256 CG ARG A 83 1.713 -7.129 -6.265 1.00 60.11 C ATOM 1257 CD ARG A 83 0.439 -6.430 -5.816 1.00 23.54 C ATOM 1258 NE ARG A 83 0.035 -6.840 -4.474 1.00 35.54 N ATOM 1259 CZ ARG A 83 -0.805 -6.145 -3.714 1.00 45.34 C ATOM 1260 NH1 ARG A 83 -1.325 -5.011 -4.163 1.00 52.11 N ATOM 1261 NH2 ARG A 83 -1.125 -6.583 -2.504 1.00 22.14 N ATOM 0 H ARG A 83 1.465 -7.318 -9.179 1.00 51.50 H new ATOM 0 HA ARG A 83 3.434 -8.689 -7.648 1.00 63.42 H new ATOM 0 HB2 ARG A 83 0.419 -8.377 -7.426 1.00 42.44 H new ATOM 0 HB3 ARG A 83 1.373 -9.241 -6.237 1.00 42.44 H new ATOM 0 HG2 ARG A 83 2.348 -7.321 -5.400 1.00 60.11 H new ATOM 0 HG3 ARG A 83 2.273 -6.474 -6.933 1.00 60.11 H new ATOM 0 HD2 ARG A 83 0.591 -5.351 -5.835 1.00 23.54 H new ATOM 0 HD3 ARG A 83 -0.363 -6.651 -6.520 1.00 23.54 H new ATOM 0 HE ARG A 83 0.419 -7.708 -4.099 1.00 35.54 H new ATOM 0 HH11 ARG A 83 -1.081 -4.671 -5.093 1.00 52.11 H new ATOM 0 HH12 ARG A 83 -1.970 -4.479 -3.578 1.00 52.11 H new ATOM 0 HH21 ARG A 83 -0.726 -7.455 -2.155 1.00 22.14 H new ATOM 0 HH22 ARG A 83 -1.770 -6.048 -1.922 1.00 22.14 H new ATOM 1275 N CYS A 84 1.537 -10.448 -9.596 1.00 31.11 N ATOM 1276 CA CYS A 84 1.280 -11.788 -10.113 1.00 4.31 C ATOM 1277 C CYS A 84 2.568 -12.432 -10.616 1.00 40.02 C ATOM 1278 O CYS A 84 2.653 -13.653 -10.747 1.00 52.31 O ATOM 1279 CB CYS A 84 0.249 -11.733 -11.240 1.00 53.15 C ATOM 1280 SG CYS A 84 -1.325 -10.981 -10.765 1.00 35.33 S ATOM 0 H CYS A 84 1.137 -9.696 -10.157 1.00 31.11 H new ATOM 0 HA CYS A 84 0.885 -12.396 -9.299 1.00 4.31 H new ATOM 0 HB2 CYS A 84 0.669 -11.173 -12.075 1.00 53.15 H new ATOM 0 HB3 CYS A 84 0.062 -12.746 -11.597 1.00 53.15 H new ATOM 0 HG CYS A 84 -1.110 -9.794 -10.280 1.00 35.33 H new ATOM 1286 N MET A 85 3.567 -11.603 -10.898 1.00 44.44 N ATOM 1287 CA MET A 85 4.851 -12.092 -11.388 1.00 71.01 C ATOM 1288 C MET A 85 5.701 -12.631 -10.242 1.00 13.23 C ATOM 1289 O MET A 85 6.564 -13.485 -10.443 1.00 44.33 O ATOM 1290 CB MET A 85 5.603 -10.975 -12.115 1.00 20.42 C ATOM 1291 CG MET A 85 6.609 -10.249 -11.237 1.00 13.33 C ATOM 1292 SD MET A 85 7.399 -8.867 -12.083 1.00 52.52 S ATOM 1293 CE MET A 85 6.015 -7.744 -12.264 1.00 34.30 C ATOM 0 H MET A 85 3.513 -10.590 -10.796 1.00 44.44 H new ATOM 0 HA MET A 85 4.658 -12.905 -12.088 1.00 71.01 H new ATOM 0 HB2 MET A 85 6.122 -11.398 -12.975 1.00 20.42 H new ATOM 0 HB3 MET A 85 4.882 -10.254 -12.500 1.00 20.42 H new ATOM 0 HG2 MET A 85 6.106 -9.883 -10.342 1.00 13.33 H new ATOM 0 HG3 MET A 85 7.373 -10.953 -10.908 1.00 13.33 H new ATOM 0 HE1 MET A 85 6.246 -7.003 -13.029 1.00 34.30 H new ATOM 0 HE2 MET A 85 5.128 -8.305 -12.558 1.00 34.30 H new ATOM 0 HE3 MET A 85 5.829 -7.240 -11.315 1.00 34.30 H new ATOM 1303 N LYS A 86 5.451 -12.127 -9.038 1.00 54.51 N ATOM 1304 CA LYS A 86 6.192 -12.557 -7.858 1.00 74.35 C ATOM 1305 C LYS A 86 7.683 -12.665 -8.162 1.00 14.22 C ATOM 1306 O LYS A 86 8.320 -13.668 -7.842 1.00 31.40 O ATOM 1307 CB LYS A 86 5.663 -13.905 -7.363 1.00 33.03 C ATOM 1308 CG LYS A 86 5.807 -14.101 -5.863 1.00 42.24 C ATOM 1309 CD LYS A 86 4.464 -14.019 -5.158 1.00 53.03 C ATOM 1310 CE LYS A 86 4.628 -13.688 -3.683 1.00 32.12 C ATOM 1311 NZ LYS A 86 4.470 -14.894 -2.823 1.00 43.21 N ATOM 0 H LYS A 86 4.740 -11.419 -8.854 1.00 54.51 H new ATOM 0 HA LYS A 86 6.051 -11.809 -7.078 1.00 74.35 H new ATOM 0 HB2 LYS A 86 4.611 -13.994 -7.633 1.00 33.03 H new ATOM 0 HB3 LYS A 86 6.194 -14.706 -7.878 1.00 33.03 H new ATOM 0 HG2 LYS A 86 6.265 -15.070 -5.664 1.00 42.24 H new ATOM 0 HG3 LYS A 86 6.478 -13.343 -5.459 1.00 42.24 H new ATOM 0 HD2 LYS A 86 3.847 -13.258 -5.636 1.00 53.03 H new ATOM 0 HD3 LYS A 86 3.938 -14.968 -5.263 1.00 53.03 H new ATOM 0 HE2 LYS A 86 5.612 -13.250 -3.516 1.00 32.12 H new ATOM 0 HE3 LYS A 86 3.892 -12.938 -3.395 1.00 32.12 H new ATOM 0 HZ1 LYS A 86 4.589 -14.627 -1.825 1.00 43.21 H new ATOM 0 HZ2 LYS A 86 3.522 -15.298 -2.963 1.00 43.21 H new ATOM 0 HZ3 LYS A 86 5.189 -15.600 -3.080 1.00 43.21 H new ATOM 1325 N ASP A 87 8.233 -11.625 -8.779 1.00 14.23 N ATOM 1326 CA ASP A 87 9.650 -11.602 -9.123 1.00 14.53 C ATOM 1327 C ASP A 87 10.060 -12.893 -9.823 1.00 51.15 C ATOM 1328 O ASP A 87 11.040 -13.533 -9.442 1.00 73.42 O ATOM 1329 CB ASP A 87 10.498 -11.397 -7.867 1.00 12.54 C ATOM 1330 CG ASP A 87 11.864 -10.818 -8.179 1.00 21.23 C ATOM 1331 OD1 ASP A 87 11.961 -9.586 -8.356 1.00 55.43 O ATOM 1332 OD2 ASP A 87 12.837 -11.598 -8.245 1.00 30.05 O ATOM 0 H ASP A 87 7.719 -10.787 -9.051 1.00 14.23 H new ATOM 0 HA ASP A 87 9.819 -10.770 -9.806 1.00 14.53 H new ATOM 0 HB2 ASP A 87 9.972 -10.732 -7.182 1.00 12.54 H new ATOM 0 HB3 ASP A 87 10.619 -12.351 -7.354 1.00 12.54 H new ATOM 1337 N ASP A 88 9.304 -13.270 -10.849 1.00 14.35 N ATOM 1338 CA ASP A 88 9.588 -14.485 -11.603 1.00 3.21 C ATOM 1339 C ASP A 88 10.451 -14.177 -12.823 1.00 22.53 C ATOM 1340 O ASP A 88 11.581 -14.654 -12.932 1.00 40.21 O ATOM 1341 CB ASP A 88 8.286 -15.156 -12.040 1.00 75.13 C ATOM 1342 CG ASP A 88 8.526 -16.433 -12.822 1.00 0.23 C ATOM 1343 OD1 ASP A 88 9.439 -17.196 -12.444 1.00 2.10 O ATOM 1344 OD2 ASP A 88 7.802 -16.668 -13.812 1.00 33.33 O ATOM 0 H ASP A 88 8.490 -12.751 -11.177 1.00 14.35 H new ATOM 0 HA ASP A 88 10.138 -15.166 -10.954 1.00 3.21 H new ATOM 0 HB2 ASP A 88 7.683 -15.380 -11.160 1.00 75.13 H new ATOM 0 HB3 ASP A 88 7.710 -14.461 -12.652 1.00 75.13 H new ATOM 1349 N SER A 89 9.911 -13.379 -13.738 1.00 35.51 N ATOM 1350 CA SER A 89 10.629 -13.013 -14.953 1.00 10.43 C ATOM 1351 C SER A 89 11.518 -11.797 -14.711 1.00 44.45 C ATOM 1352 O SER A 89 12.738 -11.910 -14.821 1.00 62.24 O ATOM 1353 CB SER A 89 9.643 -12.721 -16.085 1.00 52.33 C ATOM 1354 OG SER A 89 8.644 -11.806 -15.669 1.00 11.13 O ATOM 0 H SER A 89 8.978 -12.973 -13.661 1.00 35.51 H new ATOM 0 HA SER A 89 11.261 -13.853 -15.240 1.00 10.43 H new ATOM 0 HB2 SER A 89 10.179 -12.314 -16.942 1.00 52.33 H new ATOM 0 HB3 SER A 89 9.176 -13.650 -16.413 1.00 52.33 H new ATOM 0 HG SER A 89 8.028 -11.635 -16.411 1.00 11.13 H new TER 1360 SER A 89 HETATM 1361 CA CA A 90 -8.551 1.877 -3.581 1.00 53.43 CA