USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 864 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc= 0.566 (180deg=0.26) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0261 USER MOD Single : A 11 MET CE :methyl 165:sc= -0.0823 (180deg=-0.471) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0474 USER MOD Single : A 32 LYS NZ :NH3+ -151:sc=-0.00204 (180deg=-0.908) USER MOD Single : A 34 TYR OH : rot 120:sc= 0.82 USER MOD Single : A 42 GLN : amide:sc= -0.737 K(o=-0.74,f=-1.6) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0308 USER MOD Single : A 51 SER OG : rot 180:sc=-0.00197 USER MOD Single : A 54 SER OG : rot -44:sc= 0.861 USER MOD Single : A 55 SER OG : rot 180:sc= -0.0178 USER MOD Single : A 59 ASN : amide:sc= 0.313 X(o=0.31,f=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.0301 K(o=-0.03,f=-1.1) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -47:sc= 0.768 USER MOD Single : A 67 ASN : amide:sc= -0.917 X(o=-0.92,f=-0.9) USER MOD Single : A 78 SER OG : rot -37:sc= 0.57 USER MOD Single : A 79 LYS NZ :NH3+ -122:sc= -0.164 (180deg=-0.562) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 91 THR OG1 : rot -164:sc= -0.192 USER MOD Single : A 97 TYR OH : rot 141:sc= 0.523 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.460 -1.557 1.094 1.00 22.40 N ATOM 2 CA MET A 1 3.798 -1.012 -0.085 1.00 43.52 C ATOM 3 C MET A 1 2.994 -2.089 -0.805 1.00 32.41 C ATOM 4 O MET A 1 1.787 -1.948 -1.003 1.00 24.22 O ATOM 5 CB MET A 1 4.829 -0.405 -1.040 1.00 14.02 C ATOM 6 CG MET A 1 5.330 0.962 -0.604 1.00 54.41 C ATOM 7 SD MET A 1 6.658 0.861 0.611 1.00 61.43 S ATOM 8 CE MET A 1 5.968 1.831 1.949 1.00 62.20 C ATOM 0 H1 MET A 1 5.333 -1.024 1.279 1.00 22.40 H new ATOM 0 H2 MET A 1 3.826 -1.480 1.915 1.00 22.40 H new ATOM 0 H3 MET A 1 4.693 -2.557 0.930 1.00 22.40 H new ATOM 0 HA MET A 1 3.112 -0.231 0.243 1.00 43.52 H new ATOM 0 HB2 MET A 1 5.678 -1.084 -1.125 1.00 14.02 H new ATOM 0 HB3 MET A 1 4.387 -0.321 -2.033 1.00 14.02 H new ATOM 0 HG2 MET A 1 5.683 1.511 -1.477 1.00 54.41 H new ATOM 0 HG3 MET A 1 4.501 1.531 -0.184 1.00 54.41 H new ATOM 0 HE1 MET A 1 6.675 1.862 2.778 1.00 62.20 H new ATOM 0 HE2 MET A 1 5.773 2.845 1.600 1.00 62.20 H new ATOM 0 HE3 MET A 1 5.036 1.377 2.284 1.00 62.20 H new ATOM 18 N ALA A 2 3.670 -3.165 -1.194 1.00 72.32 N ATOM 19 CA ALA A 2 3.017 -4.267 -1.890 1.00 61.21 C ATOM 20 C ALA A 2 1.841 -4.807 -1.083 1.00 2.41 C ATOM 21 O ALA A 2 1.610 -4.388 0.051 1.00 45.10 O ATOM 22 CB ALA A 2 4.017 -5.378 -2.176 1.00 4.53 C ATOM 0 H ALA A 2 4.669 -3.297 -1.039 1.00 72.32 H new ATOM 0 HA ALA A 2 2.631 -3.888 -2.836 1.00 61.21 H new ATOM 0 HB1 ALA A 2 3.515 -6.194 -2.696 1.00 4.53 H new ATOM 0 HB2 ALA A 2 4.822 -4.991 -2.800 1.00 4.53 H new ATOM 0 HB3 ALA A 2 4.431 -5.746 -1.237 1.00 4.53 H new ATOM 28 N ALA A 3 1.100 -5.738 -1.675 1.00 43.52 N ATOM 29 CA ALA A 3 -0.051 -6.335 -1.010 1.00 50.12 C ATOM 30 C ALA A 3 0.029 -7.857 -1.036 1.00 24.55 C ATOM 31 O ALA A 3 -0.429 -8.499 -1.982 1.00 1.32 O ATOM 32 CB ALA A 3 -1.342 -5.862 -1.663 1.00 5.43 C ATOM 0 H ALA A 3 1.277 -6.095 -2.614 1.00 43.52 H new ATOM 0 HA ALA A 3 -0.044 -6.014 0.032 1.00 50.12 H new ATOM 0 HB1 ALA A 3 -2.194 -6.316 -1.156 1.00 5.43 H new ATOM 0 HB2 ALA A 3 -1.411 -4.777 -1.588 1.00 5.43 H new ATOM 0 HB3 ALA A 3 -1.347 -6.154 -2.713 1.00 5.43 H new ATOM 38 N THR A 4 0.616 -8.432 0.010 1.00 34.13 N ATOM 39 CA THR A 4 0.758 -9.879 0.107 1.00 32.30 C ATOM 40 C THR A 4 0.292 -10.388 1.466 1.00 12.13 C ATOM 41 O THR A 4 0.735 -11.437 1.933 1.00 24.04 O ATOM 42 CB THR A 4 2.217 -10.317 -0.119 1.00 43.33 C ATOM 43 OG1 THR A 4 3.080 -9.640 0.802 1.00 70.30 O ATOM 44 CG2 THR A 4 2.657 -10.019 -1.545 1.00 74.30 C ATOM 0 H THR A 4 1.001 -7.917 0.802 1.00 34.13 H new ATOM 0 HA THR A 4 0.132 -10.310 -0.674 1.00 32.30 H new ATOM 0 HB THR A 4 2.280 -11.392 0.047 1.00 43.33 H new ATOM 0 HG1 THR A 4 4.006 -9.925 0.653 1.00 70.30 H new ATOM 0 HG21 THR A 4 3.691 -10.337 -1.681 1.00 74.30 H new ATOM 0 HG22 THR A 4 2.017 -10.558 -2.243 1.00 74.30 H new ATOM 0 HG23 THR A 4 2.579 -8.948 -1.734 1.00 74.30 H new ATOM 52 N VAL A 5 -0.606 -9.638 2.097 1.00 33.25 N ATOM 53 CA VAL A 5 -1.134 -10.014 3.403 1.00 33.54 C ATOM 54 C VAL A 5 -2.561 -9.510 3.586 1.00 53.35 C ATOM 55 O VAL A 5 -2.810 -8.304 3.572 1.00 54.42 O ATOM 56 CB VAL A 5 -0.257 -9.464 4.543 1.00 12.44 C ATOM 57 CG1 VAL A 5 -0.846 -9.832 5.896 1.00 32.34 C ATOM 58 CG2 VAL A 5 1.168 -9.979 4.415 1.00 63.01 C ATOM 0 H VAL A 5 -0.983 -8.766 1.725 1.00 33.25 H new ATOM 0 HA VAL A 5 -1.129 -11.103 3.444 1.00 33.54 H new ATOM 0 HB VAL A 5 -0.234 -8.377 4.467 1.00 12.44 H new ATOM 0 HG11 VAL A 5 -0.212 -9.435 6.689 1.00 32.34 H new ATOM 0 HG12 VAL A 5 -1.847 -9.409 5.985 1.00 32.34 H new ATOM 0 HG13 VAL A 5 -0.902 -10.917 5.986 1.00 32.34 H new ATOM 0 HG21 VAL A 5 1.773 -9.580 5.229 1.00 63.01 H new ATOM 0 HG22 VAL A 5 1.167 -11.068 4.463 1.00 63.01 H new ATOM 0 HG23 VAL A 5 1.586 -9.659 3.461 1.00 63.01 H new ATOM 68 N CYS A 6 -3.494 -10.440 3.756 1.00 13.53 N ATOM 69 CA CYS A 6 -4.898 -10.089 3.941 1.00 32.12 C ATOM 70 C CYS A 6 -5.319 -10.279 5.395 1.00 40.31 C ATOM 71 O CYS A 6 -5.351 -11.400 5.903 1.00 71.23 O ATOM 72 CB CYS A 6 -5.782 -10.939 3.027 1.00 50.52 C ATOM 73 SG CYS A 6 -6.747 -9.980 1.835 1.00 61.50 S ATOM 0 H CYS A 6 -3.304 -11.442 3.770 1.00 13.53 H new ATOM 0 HA CYS A 6 -5.022 -9.038 3.680 1.00 32.12 H new ATOM 0 HB2 CYS A 6 -5.153 -11.645 2.485 1.00 50.52 H new ATOM 0 HB3 CYS A 6 -6.464 -11.526 3.642 1.00 50.52 H new ATOM 0 HG CYS A 6 -7.461 -10.786 1.106 1.00 61.50 H new ATOM 79 N THR A 7 -5.640 -9.174 6.062 1.00 61.23 N ATOM 80 CA THR A 7 -6.056 -9.218 7.458 1.00 42.22 C ATOM 81 C THR A 7 -7.563 -9.413 7.577 1.00 60.14 C ATOM 82 O THR A 7 -8.323 -8.991 6.705 1.00 15.31 O ATOM 83 CB THR A 7 -5.656 -7.931 8.204 1.00 40.34 C ATOM 84 OG1 THR A 7 -4.862 -7.097 7.352 1.00 71.44 O ATOM 85 CG2 THR A 7 -4.878 -8.258 9.469 1.00 20.11 C ATOM 0 H THR A 7 -5.620 -8.238 5.657 1.00 61.23 H new ATOM 0 HA THR A 7 -5.546 -10.067 7.913 1.00 42.22 H new ATOM 0 HB THR A 7 -6.567 -7.402 8.483 1.00 40.34 H new ATOM 0 HG1 THR A 7 -4.613 -6.280 7.833 1.00 71.44 H new ATOM 0 HG21 THR A 7 -4.607 -7.333 9.978 1.00 20.11 H new ATOM 0 HG22 THR A 7 -5.495 -8.868 10.128 1.00 20.11 H new ATOM 0 HG23 THR A 7 -3.973 -8.807 9.208 1.00 20.11 H new ATOM 93 N ILE A 8 -7.988 -10.054 8.660 1.00 71.42 N ATOM 94 CA ILE A 8 -9.405 -10.303 8.893 1.00 73.44 C ATOM 95 C ILE A 8 -9.827 -9.825 10.278 1.00 73.23 C ATOM 96 O ILE A 8 -9.065 -9.153 10.972 1.00 33.54 O ATOM 97 CB ILE A 8 -9.744 -11.799 8.753 1.00 75.21 C ATOM 98 CG1 ILE A 8 -8.463 -12.625 8.625 1.00 21.34 C ATOM 99 CG2 ILE A 8 -10.650 -12.027 7.552 1.00 63.05 C ATOM 100 CD1 ILE A 8 -7.836 -12.560 7.250 1.00 35.51 C ATOM 0 H ILE A 8 -7.371 -10.410 9.390 1.00 71.42 H new ATOM 0 HA ILE A 8 -9.953 -9.742 8.136 1.00 73.44 H new ATOM 0 HB ILE A 8 -10.274 -12.121 9.649 1.00 75.21 H new ATOM 0 HG12 ILE A 8 -7.740 -12.275 9.362 1.00 21.34 H new ATOM 0 HG13 ILE A 8 -8.685 -13.665 8.865 1.00 21.34 H new ATOM 0 HG21 ILE A 8 -10.881 -13.089 7.467 1.00 63.05 H new ATOM 0 HG22 ILE A 8 -11.574 -11.464 7.682 1.00 63.05 H new ATOM 0 HG23 ILE A 8 -10.145 -11.691 6.646 1.00 63.05 H new ATOM 0 HD11 ILE A 8 -6.932 -13.169 7.233 1.00 35.51 H new ATOM 0 HD12 ILE A 8 -8.542 -12.937 6.510 1.00 35.51 H new ATOM 0 HD13 ILE A 8 -7.582 -11.527 7.015 1.00 35.51 H new ATOM 112 N ALA A 9 -11.046 -10.178 10.674 1.00 50.35 N ATOM 113 CA ALA A 9 -11.568 -9.788 11.977 1.00 13.04 C ATOM 114 C ALA A 9 -10.521 -9.983 13.069 1.00 74.52 C ATOM 115 O ALA A 9 -10.269 -9.082 13.869 1.00 72.32 O ATOM 116 CB ALA A 9 -12.825 -10.582 12.301 1.00 55.50 C ATOM 0 H ALA A 9 -11.690 -10.733 10.111 1.00 50.35 H new ATOM 0 HA ALA A 9 -11.821 -8.728 11.937 1.00 13.04 H new ATOM 0 HB1 ALA A 9 -13.204 -10.280 13.277 1.00 55.50 H new ATOM 0 HB2 ALA A 9 -13.583 -10.389 11.542 1.00 55.50 H new ATOM 0 HB3 ALA A 9 -12.589 -11.646 12.316 1.00 55.50 H new ATOM 122 N ASP A 10 -9.916 -11.165 13.096 1.00 22.52 N ATOM 123 CA ASP A 10 -8.896 -11.479 14.090 1.00 65.12 C ATOM 124 C ASP A 10 -7.952 -12.562 13.576 1.00 4.14 C ATOM 125 O ASP A 10 -7.825 -13.626 14.181 1.00 21.13 O ATOM 126 CB ASP A 10 -9.548 -11.932 15.397 1.00 52.22 C ATOM 127 CG ASP A 10 -10.405 -10.848 16.022 1.00 61.32 C ATOM 128 OD1 ASP A 10 -9.836 -9.848 16.508 1.00 70.20 O ATOM 129 OD2 ASP A 10 -11.644 -11.000 16.024 1.00 13.00 O ATOM 0 H ASP A 10 -10.114 -11.922 12.441 1.00 22.52 H new ATOM 0 HA ASP A 10 -8.316 -10.575 14.277 1.00 65.12 H new ATOM 0 HB2 ASP A 10 -10.162 -12.812 15.207 1.00 52.22 H new ATOM 0 HB3 ASP A 10 -8.772 -12.230 16.102 1.00 52.22 H new ATOM 134 N MET A 11 -7.293 -12.283 12.457 1.00 45.14 N ATOM 135 CA MET A 11 -6.360 -13.234 11.862 1.00 11.41 C ATOM 136 C MET A 11 -5.539 -12.573 10.759 1.00 55.10 C ATOM 137 O MET A 11 -5.848 -11.464 10.320 1.00 31.31 O ATOM 138 CB MET A 11 -7.116 -14.438 11.299 1.00 34.41 C ATOM 139 CG MET A 11 -6.316 -15.730 11.336 1.00 44.14 C ATOM 140 SD MET A 11 -7.344 -17.192 11.098 1.00 41.24 S ATOM 141 CE MET A 11 -8.262 -16.725 9.633 1.00 54.25 C ATOM 0 H MET A 11 -7.387 -11.407 11.943 1.00 45.14 H new ATOM 0 HA MET A 11 -5.679 -13.574 12.643 1.00 11.41 H new ATOM 0 HB2 MET A 11 -8.038 -14.575 11.865 1.00 34.41 H new ATOM 0 HB3 MET A 11 -7.403 -14.227 10.269 1.00 34.41 H new ATOM 0 HG2 MET A 11 -5.549 -15.700 10.562 1.00 44.14 H new ATOM 0 HG3 MET A 11 -5.800 -15.806 12.293 1.00 44.14 H new ATOM 0 HE1 MET A 11 -8.738 -17.607 9.205 1.00 54.25 H new ATOM 0 HE2 MET A 11 -9.025 -15.994 9.900 1.00 54.25 H new ATOM 0 HE3 MET A 11 -7.582 -16.289 8.901 1.00 54.25 H new ATOM 151 N THR A 12 -4.492 -13.260 10.314 1.00 21.12 N ATOM 152 CA THR A 12 -3.626 -12.739 9.264 1.00 73.33 C ATOM 153 C THR A 12 -3.360 -13.795 8.197 1.00 23.31 C ATOM 154 O THR A 12 -2.549 -14.700 8.394 1.00 24.21 O ATOM 155 CB THR A 12 -2.281 -12.251 9.834 1.00 34.43 C ATOM 156 OG1 THR A 12 -2.503 -11.200 10.781 1.00 53.24 O ATOM 157 CG2 THR A 12 -1.370 -11.756 8.722 1.00 5.42 C ATOM 0 H THR A 12 -4.223 -14.179 10.665 1.00 21.12 H new ATOM 0 HA THR A 12 -4.148 -11.895 8.814 1.00 73.33 H new ATOM 0 HB THR A 12 -1.796 -13.091 10.332 1.00 34.43 H new ATOM 0 HG1 THR A 12 -1.643 -10.896 11.140 1.00 53.24 H new ATOM 0 HG21 THR A 12 -0.426 -11.417 9.149 1.00 5.42 H new ATOM 0 HG22 THR A 12 -1.180 -12.567 8.019 1.00 5.42 H new ATOM 0 HG23 THR A 12 -1.850 -10.929 8.199 1.00 5.42 H new ATOM 165 N VAL A 13 -4.047 -13.674 7.066 1.00 50.23 N ATOM 166 CA VAL A 13 -3.883 -14.617 5.966 1.00 22.44 C ATOM 167 C VAL A 13 -2.784 -14.164 5.012 1.00 2.52 C ATOM 168 O VAL A 13 -2.651 -12.974 4.723 1.00 25.32 O ATOM 169 CB VAL A 13 -5.193 -14.792 5.176 1.00 34.44 C ATOM 170 CG1 VAL A 13 -4.996 -15.764 4.023 1.00 32.32 C ATOM 171 CG2 VAL A 13 -6.310 -15.263 6.096 1.00 54.42 C ATOM 0 H VAL A 13 -4.723 -12.932 6.887 1.00 50.23 H new ATOM 0 HA VAL A 13 -3.604 -15.573 6.409 1.00 22.44 H new ATOM 0 HB VAL A 13 -5.478 -13.826 4.760 1.00 34.44 H new ATOM 0 HG11 VAL A 13 -5.933 -15.875 3.476 1.00 32.32 H new ATOM 0 HG12 VAL A 13 -4.227 -15.381 3.352 1.00 32.32 H new ATOM 0 HG13 VAL A 13 -4.687 -16.734 4.413 1.00 32.32 H new ATOM 0 HG21 VAL A 13 -7.229 -15.382 5.522 1.00 54.42 H new ATOM 0 HG22 VAL A 13 -6.035 -16.219 6.542 1.00 54.42 H new ATOM 0 HG23 VAL A 13 -6.467 -14.526 6.884 1.00 54.42 H new ATOM 181 N ASP A 14 -1.999 -15.119 4.526 1.00 50.43 N ATOM 182 CA ASP A 14 -0.911 -14.818 3.602 1.00 54.21 C ATOM 183 C ASP A 14 -1.209 -15.374 2.213 1.00 63.10 C ATOM 184 O ASP A 14 -1.377 -16.581 2.040 1.00 14.22 O ATOM 185 CB ASP A 14 0.405 -15.395 4.125 1.00 11.31 C ATOM 186 CG ASP A 14 1.496 -14.347 4.227 1.00 63.44 C ATOM 187 OD1 ASP A 14 1.288 -13.340 4.934 1.00 0.45 O ATOM 188 OD2 ASP A 14 2.559 -14.536 3.599 1.00 41.11 O ATOM 0 H ASP A 14 -2.095 -16.108 4.756 1.00 50.43 H new ATOM 0 HA ASP A 14 -0.819 -13.734 3.528 1.00 54.21 H new ATOM 0 HB2 ASP A 14 0.239 -15.839 5.106 1.00 11.31 H new ATOM 0 HB3 ASP A 14 0.735 -16.196 3.464 1.00 11.31 H new ATOM 193 N MET A 15 -1.272 -14.486 1.226 1.00 14.14 N ATOM 194 CA MET A 15 -1.549 -14.889 -0.147 1.00 54.25 C ATOM 195 C MET A 15 -0.275 -15.354 -0.845 1.00 50.21 C ATOM 196 O MET A 15 -0.322 -15.888 -1.953 1.00 44.44 O ATOM 197 CB MET A 15 -2.176 -13.730 -0.925 1.00 14.01 C ATOM 198 CG MET A 15 -1.187 -12.634 -1.286 1.00 23.23 C ATOM 199 SD MET A 15 -1.939 -11.308 -2.248 1.00 12.34 S ATOM 200 CE MET A 15 -1.796 -11.969 -3.906 1.00 75.20 C ATOM 0 H MET A 15 -1.135 -13.483 1.352 1.00 14.14 H new ATOM 0 HA MET A 15 -2.252 -15.722 -0.120 1.00 54.25 H new ATOM 0 HB2 MET A 15 -2.625 -14.118 -1.839 1.00 14.01 H new ATOM 0 HB3 MET A 15 -2.982 -13.299 -0.332 1.00 14.01 H new ATOM 0 HG2 MET A 15 -0.762 -12.218 -0.372 1.00 23.23 H new ATOM 0 HG3 MET A 15 -0.363 -13.066 -1.853 1.00 23.23 H new ATOM 0 HE1 MET A 15 -2.219 -11.260 -4.618 1.00 75.20 H new ATOM 0 HE2 MET A 15 -0.745 -12.136 -4.142 1.00 75.20 H new ATOM 0 HE3 MET A 15 -2.337 -12.913 -3.969 1.00 75.20 H new ATOM 210 N VAL A 16 0.863 -15.147 -0.189 1.00 74.31 N ATOM 211 CA VAL A 16 2.150 -15.546 -0.746 1.00 74.22 C ATOM 212 C VAL A 16 2.701 -16.774 -0.031 1.00 22.31 C ATOM 213 O VAL A 16 3.399 -17.593 -0.630 1.00 3.43 O ATOM 214 CB VAL A 16 3.180 -14.405 -0.652 1.00 73.03 C ATOM 215 CG1 VAL A 16 2.849 -13.304 -1.648 1.00 1.30 C ATOM 216 CG2 VAL A 16 3.237 -13.855 0.765 1.00 53.43 C ATOM 0 H VAL A 16 0.919 -14.705 0.729 1.00 74.31 H new ATOM 0 HA VAL A 16 1.980 -15.786 -1.796 1.00 74.22 H new ATOM 0 HB VAL A 16 4.163 -14.804 -0.902 1.00 73.03 H new ATOM 0 HG11 VAL A 16 3.587 -12.506 -1.567 1.00 1.30 H new ATOM 0 HG12 VAL A 16 2.864 -13.711 -2.659 1.00 1.30 H new ATOM 0 HG13 VAL A 16 1.858 -12.904 -1.433 1.00 1.30 H new ATOM 0 HG21 VAL A 16 3.970 -13.050 0.813 1.00 53.43 H new ATOM 0 HG22 VAL A 16 2.256 -13.471 1.046 1.00 53.43 H new ATOM 0 HG23 VAL A 16 3.526 -14.650 1.453 1.00 53.43 H new ATOM 226 N ARG A 17 2.383 -16.897 1.254 1.00 51.24 N ATOM 227 CA ARG A 17 2.847 -18.025 2.051 1.00 23.15 C ATOM 228 C ARG A 17 1.721 -19.029 2.281 1.00 42.02 C ATOM 229 O ARG A 17 1.965 -20.175 2.660 1.00 42.50 O ATOM 230 CB ARG A 17 3.391 -17.537 3.395 1.00 25.24 C ATOM 231 CG ARG A 17 4.724 -16.814 3.287 1.00 71.13 C ATOM 232 CD ARG A 17 5.456 -16.792 4.619 1.00 11.44 C ATOM 233 NE ARG A 17 6.171 -18.040 4.872 1.00 11.43 N ATOM 234 CZ ARG A 17 6.978 -18.227 5.911 1.00 40.24 C ATOM 235 NH1 ARG A 17 7.171 -17.252 6.788 1.00 22.15 N ATOM 236 NH2 ARG A 17 7.593 -19.391 6.073 1.00 63.22 N ATOM 0 H ARG A 17 1.806 -16.229 1.765 1.00 51.24 H new ATOM 0 HA ARG A 17 3.646 -18.522 1.501 1.00 23.15 H new ATOM 0 HB2 ARG A 17 2.661 -16.869 3.852 1.00 25.24 H new ATOM 0 HB3 ARG A 17 3.504 -18.391 4.063 1.00 25.24 H new ATOM 0 HG2 ARG A 17 5.345 -17.304 2.537 1.00 71.13 H new ATOM 0 HG3 ARG A 17 4.558 -15.792 2.945 1.00 71.13 H new ATOM 0 HD2 ARG A 17 6.162 -15.961 4.631 1.00 11.44 H new ATOM 0 HD3 ARG A 17 4.741 -16.615 5.422 1.00 11.44 H new ATOM 0 HE ARG A 17 6.044 -18.810 4.215 1.00 11.43 H new ATOM 0 HH11 ARG A 17 6.700 -16.356 6.666 1.00 22.15 H new ATOM 0 HH12 ARG A 17 7.791 -17.398 7.585 1.00 22.15 H new ATOM 0 HH21 ARG A 17 7.447 -20.143 5.400 1.00 63.22 H new ATOM 0 HH22 ARG A 17 8.212 -19.534 6.871 1.00 63.22 H new ATOM 250 N ARG A 18 0.488 -18.590 2.049 1.00 63.54 N ATOM 251 CA ARG A 18 -0.675 -19.450 2.231 1.00 12.35 C ATOM 252 C ARG A 18 -0.754 -19.960 3.667 1.00 10.14 C ATOM 253 O ARG A 18 -0.777 -21.167 3.909 1.00 30.30 O ATOM 254 CB ARG A 18 -0.621 -20.631 1.261 1.00 23.34 C ATOM 255 CG ARG A 18 -0.693 -20.223 -0.201 1.00 12.32 C ATOM 256 CD ARG A 18 0.693 -20.024 -0.793 1.00 2.50 C ATOM 257 NE ARG A 18 1.441 -21.276 -0.869 1.00 0.31 N ATOM 258 CZ ARG A 18 2.538 -21.433 -1.601 1.00 72.45 C ATOM 259 NH1 ARG A 18 3.012 -20.423 -2.317 1.00 2.12 N ATOM 260 NH2 ARG A 18 3.163 -22.604 -1.619 1.00 12.20 N ATOM 0 H ARG A 18 0.269 -17.645 1.735 1.00 63.54 H new ATOM 0 HA ARG A 18 -1.568 -18.860 2.023 1.00 12.35 H new ATOM 0 HB2 ARG A 18 0.302 -21.186 1.429 1.00 23.34 H new ATOM 0 HB3 ARG A 18 -1.446 -21.309 1.481 1.00 23.34 H new ATOM 0 HG2 ARG A 18 -1.225 -20.987 -0.767 1.00 12.32 H new ATOM 0 HG3 ARG A 18 -1.266 -19.300 -0.295 1.00 12.32 H new ATOM 0 HD2 ARG A 18 0.603 -19.595 -1.791 1.00 2.50 H new ATOM 0 HD3 ARG A 18 1.247 -19.307 -0.187 1.00 2.50 H new ATOM 0 HE ARG A 18 1.102 -22.073 -0.331 1.00 0.31 H new ATOM 0 HH11 ARG A 18 2.534 -19.522 -2.307 1.00 2.12 H new ATOM 0 HH12 ARG A 18 3.855 -20.547 -2.878 1.00 2.12 H new ATOM 0 HH21 ARG A 18 2.801 -23.384 -1.070 1.00 12.20 H new ATOM 0 HH22 ARG A 18 4.005 -22.724 -2.181 1.00 12.20 H new ATOM 274 N THR A 19 -0.795 -19.032 4.618 1.00 3.25 N ATOM 275 CA THR A 19 -0.869 -19.387 6.030 1.00 11.30 C ATOM 276 C THR A 19 -1.928 -18.560 6.750 1.00 54.13 C ATOM 277 O THR A 19 -2.533 -17.661 6.164 1.00 22.42 O ATOM 278 CB THR A 19 0.487 -19.186 6.732 1.00 2.30 C ATOM 279 OG1 THR A 19 0.730 -17.790 6.939 1.00 53.31 O ATOM 280 CG2 THR A 19 1.617 -19.785 5.908 1.00 31.34 C ATOM 0 H THR A 19 -0.778 -18.029 4.436 1.00 3.25 H new ATOM 0 HA THR A 19 -1.141 -20.441 6.077 1.00 11.30 H new ATOM 0 HB THR A 19 0.451 -19.695 7.695 1.00 2.30 H new ATOM 0 HG1 THR A 19 1.593 -17.671 7.387 1.00 53.31 H new ATOM 0 HG21 THR A 19 2.565 -19.631 6.424 1.00 31.34 H new ATOM 0 HG22 THR A 19 1.445 -20.853 5.777 1.00 31.34 H new ATOM 0 HG23 THR A 19 1.652 -19.301 4.932 1.00 31.34 H new ATOM 288 N VAL A 20 -2.149 -18.869 8.024 1.00 42.42 N ATOM 289 CA VAL A 20 -3.134 -18.152 8.825 1.00 75.45 C ATOM 290 C VAL A 20 -2.639 -17.948 10.252 1.00 74.11 C ATOM 291 O VAL A 20 -2.380 -18.912 10.973 1.00 3.43 O ATOM 292 CB VAL A 20 -4.479 -18.902 8.862 1.00 73.33 C ATOM 293 CG1 VAL A 20 -5.274 -18.638 7.592 1.00 43.23 C ATOM 294 CG2 VAL A 20 -4.252 -20.394 9.057 1.00 10.43 C ATOM 0 H VAL A 20 -1.659 -19.611 8.523 1.00 42.42 H new ATOM 0 HA VAL A 20 -3.280 -17.181 8.353 1.00 75.45 H new ATOM 0 HB VAL A 20 -5.058 -18.531 9.708 1.00 73.33 H new ATOM 0 HG11 VAL A 20 -6.221 -19.176 7.637 1.00 43.23 H new ATOM 0 HG12 VAL A 20 -5.468 -17.569 7.500 1.00 43.23 H new ATOM 0 HG13 VAL A 20 -4.703 -18.979 6.728 1.00 43.23 H new ATOM 0 HG21 VAL A 20 -5.213 -20.908 9.081 1.00 10.43 H new ATOM 0 HG22 VAL A 20 -3.653 -20.782 8.233 1.00 10.43 H new ATOM 0 HG23 VAL A 20 -3.727 -20.562 9.997 1.00 10.43 H new ATOM 304 N ILE A 21 -2.511 -16.688 10.653 1.00 15.11 N ATOM 305 CA ILE A 21 -2.049 -16.357 11.995 1.00 30.22 C ATOM 306 C ILE A 21 -3.142 -15.659 12.797 1.00 52.11 C ATOM 307 O ILE A 21 -3.493 -14.512 12.520 1.00 44.34 O ATOM 308 CB ILE A 21 -0.802 -15.455 11.955 1.00 42.45 C ATOM 309 CG1 ILE A 21 0.396 -16.227 11.398 1.00 32.40 C ATOM 310 CG2 ILE A 21 -0.492 -14.916 13.343 1.00 14.23 C ATOM 311 CD1 ILE A 21 0.419 -16.300 9.887 1.00 34.53 C ATOM 0 H ILE A 21 -2.721 -15.879 10.068 1.00 15.11 H new ATOM 0 HA ILE A 21 -1.791 -17.298 12.480 1.00 30.22 H new ATOM 0 HB ILE A 21 -1.005 -14.611 11.296 1.00 42.45 H new ATOM 0 HG12 ILE A 21 1.315 -15.755 11.745 1.00 32.40 H new ATOM 0 HG13 ILE A 21 0.385 -17.239 11.802 1.00 32.40 H new ATOM 0 HG21 ILE A 21 0.392 -14.280 13.297 1.00 14.23 H new ATOM 0 HG22 ILE A 21 -1.339 -14.334 13.705 1.00 14.23 H new ATOM 0 HG23 ILE A 21 -0.306 -15.747 14.023 1.00 14.23 H new ATOM 0 HD11 ILE A 21 1.295 -16.861 9.563 1.00 34.53 H new ATOM 0 HD12 ILE A 21 -0.483 -16.799 9.533 1.00 34.53 H new ATOM 0 HD13 ILE A 21 0.461 -15.292 9.475 1.00 34.53 H new ATOM 323 N ARG A 22 -3.676 -16.358 13.793 1.00 11.01 N ATOM 324 CA ARG A 22 -4.729 -15.805 14.636 1.00 12.10 C ATOM 325 C ARG A 22 -4.163 -15.326 15.970 1.00 61.14 C ATOM 326 O ARG A 22 -3.581 -16.105 16.724 1.00 64.32 O ATOM 327 CB ARG A 22 -5.819 -16.850 14.879 1.00 74.34 C ATOM 328 CG ARG A 22 -5.297 -18.149 15.470 1.00 62.54 C ATOM 329 CD ARG A 22 -5.994 -18.486 16.779 1.00 62.25 C ATOM 330 NE ARG A 22 -5.382 -17.804 17.916 1.00 63.42 N ATOM 331 CZ ARG A 22 -5.966 -17.685 19.103 1.00 54.35 C ATOM 332 NH1 ARG A 22 -7.171 -18.199 19.306 1.00 14.14 N ATOM 333 NH2 ARG A 22 -5.345 -17.050 20.089 1.00 73.15 N ATOM 0 H ARG A 22 -3.397 -17.308 14.036 1.00 11.01 H new ATOM 0 HA ARG A 22 -5.163 -14.950 14.117 1.00 12.10 H new ATOM 0 HB2 ARG A 22 -6.569 -16.431 15.550 1.00 74.34 H new ATOM 0 HB3 ARG A 22 -6.320 -17.066 13.936 1.00 74.34 H new ATOM 0 HG2 ARG A 22 -5.447 -18.960 14.758 1.00 62.54 H new ATOM 0 HG3 ARG A 22 -4.223 -18.067 15.639 1.00 62.54 H new ATOM 0 HD2 ARG A 22 -7.046 -18.207 16.712 1.00 62.25 H new ATOM 0 HD3 ARG A 22 -5.960 -19.563 16.941 1.00 62.25 H new ATOM 0 HE ARG A 22 -4.455 -17.397 17.792 1.00 63.42 H new ATOM 0 HH11 ARG A 22 -7.651 -18.687 18.550 1.00 14.14 H new ATOM 0 HH12 ARG A 22 -7.618 -18.107 20.218 1.00 14.14 H new ATOM 0 HH21 ARG A 22 -4.418 -16.653 19.936 1.00 73.15 H new ATOM 0 HH22 ARG A 22 -5.795 -16.959 21.000 1.00 73.15 H new ATOM 347 N SER A 23 -4.338 -14.039 16.253 1.00 63.20 N ATOM 348 CA SER A 23 -3.840 -13.455 17.493 1.00 35.32 C ATOM 349 C SER A 23 -2.317 -13.512 17.548 1.00 42.12 C ATOM 350 O SER A 23 -1.717 -13.376 18.613 1.00 31.13 O ATOM 351 CB SER A 23 -4.433 -14.187 18.699 1.00 1.54 C ATOM 352 OG SER A 23 -5.183 -13.302 19.514 1.00 24.12 O ATOM 0 H SER A 23 -4.821 -13.381 15.641 1.00 63.20 H new ATOM 0 HA SER A 23 -4.148 -12.410 17.523 1.00 35.32 H new ATOM 0 HB2 SER A 23 -5.072 -15.001 18.356 1.00 1.54 H new ATOM 0 HB3 SER A 23 -3.632 -14.636 19.286 1.00 1.54 H new ATOM 0 HG SER A 23 -5.553 -13.794 20.277 1.00 24.12 H new ATOM 358 N GLY A 24 -1.696 -13.714 16.389 1.00 14.12 N ATOM 359 CA GLY A 24 -0.248 -13.785 16.326 1.00 73.42 C ATOM 360 C GLY A 24 0.265 -15.211 16.376 1.00 55.01 C ATOM 361 O GLY A 24 1.473 -15.444 16.389 1.00 64.15 O ATOM 0 H GLY A 24 -2.170 -13.830 15.493 1.00 14.12 H new ATOM 0 HA2 GLY A 24 0.096 -13.310 15.407 1.00 73.42 H new ATOM 0 HA3 GLY A 24 0.177 -13.220 17.156 1.00 73.42 H new ATOM 365 N LYS A 25 -0.656 -16.168 16.406 1.00 32.52 N ATOM 366 CA LYS A 25 -0.292 -17.579 16.456 1.00 60.52 C ATOM 367 C LYS A 25 -0.774 -18.310 15.206 1.00 23.05 C ATOM 368 O LYS A 25 -1.970 -18.347 14.919 1.00 72.13 O ATOM 369 CB LYS A 25 -0.885 -18.237 17.704 1.00 3.23 C ATOM 370 CG LYS A 25 -1.331 -17.242 18.762 1.00 54.14 C ATOM 371 CD LYS A 25 -0.163 -16.425 19.288 1.00 60.50 C ATOM 372 CE LYS A 25 -0.263 -16.214 20.791 1.00 52.42 C ATOM 373 NZ LYS A 25 1.016 -16.532 21.482 1.00 24.55 N ATOM 0 H LYS A 25 -1.661 -15.992 16.397 1.00 32.52 H new ATOM 0 HA LYS A 25 0.795 -17.646 16.499 1.00 60.52 H new ATOM 0 HB2 LYS A 25 -1.737 -18.850 17.411 1.00 3.23 H new ATOM 0 HB3 LYS A 25 -0.144 -18.908 18.138 1.00 3.23 H new ATOM 0 HG2 LYS A 25 -2.083 -16.574 18.341 1.00 54.14 H new ATOM 0 HG3 LYS A 25 -1.804 -17.775 19.587 1.00 54.14 H new ATOM 0 HD2 LYS A 25 0.773 -16.932 19.052 1.00 60.50 H new ATOM 0 HD3 LYS A 25 -0.138 -15.459 18.785 1.00 60.50 H new ATOM 0 HE2 LYS A 25 -0.538 -15.179 20.995 1.00 52.42 H new ATOM 0 HE3 LYS A 25 -1.059 -16.841 21.194 1.00 52.42 H new ATOM 0 HZ1 LYS A 25 0.907 -16.375 22.504 1.00 24.55 H new ATOM 0 HZ2 LYS A 25 1.266 -17.526 21.309 1.00 24.55 H new ATOM 0 HZ3 LYS A 25 1.770 -15.917 21.116 1.00 24.55 H new ATOM 387 N LYS A 26 0.165 -18.892 14.468 1.00 43.53 N ATOM 388 CA LYS A 26 -0.163 -19.624 13.250 1.00 3.04 C ATOM 389 C LYS A 26 -0.812 -20.964 13.580 1.00 32.21 C ATOM 390 O LYS A 26 -0.278 -21.746 14.367 1.00 31.13 O ATOM 391 CB LYS A 26 1.097 -19.848 12.411 1.00 72.53 C ATOM 392 CG LYS A 26 0.855 -20.677 11.161 1.00 20.51 C ATOM 393 CD LYS A 26 2.151 -20.962 10.421 1.00 3.21 C ATOM 394 CE LYS A 26 2.706 -19.706 9.766 1.00 24.15 C ATOM 395 NZ LYS A 26 4.195 -19.686 9.778 1.00 64.51 N ATOM 0 H LYS A 26 1.160 -18.871 14.692 1.00 43.53 H new ATOM 0 HA LYS A 26 -0.873 -19.028 12.676 1.00 3.04 H new ATOM 0 HB2 LYS A 26 1.508 -18.881 12.122 1.00 72.53 H new ATOM 0 HB3 LYS A 26 1.849 -20.343 13.025 1.00 72.53 H new ATOM 0 HG2 LYS A 26 0.377 -21.618 11.434 1.00 20.51 H new ATOM 0 HG3 LYS A 26 0.167 -20.149 10.501 1.00 20.51 H new ATOM 0 HD2 LYS A 26 2.887 -21.367 11.116 1.00 3.21 H new ATOM 0 HD3 LYS A 26 1.977 -21.724 9.661 1.00 3.21 H new ATOM 0 HE2 LYS A 26 2.350 -19.645 8.737 1.00 24.15 H new ATOM 0 HE3 LYS A 26 2.327 -18.827 10.287 1.00 24.15 H new ATOM 0 HZ1 LYS A 26 4.534 -18.815 9.323 1.00 64.51 H new ATOM 0 HZ2 LYS A 26 4.535 -19.718 10.760 1.00 64.51 H new ATOM 0 HZ3 LYS A 26 4.557 -20.511 9.259 1.00 64.51 H new ATOM 409 N ILE A 27 -1.965 -21.223 12.973 1.00 72.14 N ATOM 410 CA ILE A 27 -2.685 -22.470 13.200 1.00 1.04 C ATOM 411 C ILE A 27 -2.099 -23.604 12.366 1.00 45.41 C ATOM 412 O ILE A 27 -1.679 -23.398 11.226 1.00 13.44 O ATOM 413 CB ILE A 27 -4.182 -22.325 12.869 1.00 42.44 C ATOM 414 CG1 ILE A 27 -4.819 -21.245 13.746 1.00 24.13 C ATOM 415 CG2 ILE A 27 -4.897 -23.655 13.053 1.00 42.20 C ATOM 416 CD1 ILE A 27 -4.828 -21.591 15.219 1.00 63.33 C ATOM 0 H ILE A 27 -2.421 -20.586 12.320 1.00 72.14 H new ATOM 0 HA ILE A 27 -2.577 -22.707 14.258 1.00 1.04 H new ATOM 0 HB ILE A 27 -4.280 -22.024 11.826 1.00 42.44 H new ATOM 0 HG12 ILE A 27 -4.280 -20.308 13.604 1.00 24.13 H new ATOM 0 HG13 ILE A 27 -5.844 -21.076 13.414 1.00 24.13 H new ATOM 0 HG21 ILE A 27 -5.954 -23.536 12.815 1.00 42.20 H new ATOM 0 HG22 ILE A 27 -4.457 -24.399 12.389 1.00 42.20 H new ATOM 0 HG23 ILE A 27 -4.793 -23.984 14.087 1.00 42.20 H new ATOM 0 HD11 ILE A 27 -5.294 -20.781 15.780 1.00 63.33 H new ATOM 0 HD12 ILE A 27 -5.392 -22.511 15.373 1.00 63.33 H new ATOM 0 HD13 ILE A 27 -3.804 -21.731 15.566 1.00 63.33 H new ATOM 428 N HIS A 28 -2.074 -24.802 12.940 1.00 25.21 N ATOM 429 CA HIS A 28 -1.541 -25.970 12.248 1.00 24.42 C ATOM 430 C HIS A 28 -2.604 -26.606 11.357 1.00 3.12 C ATOM 431 O HIS A 28 -3.793 -26.582 11.678 1.00 43.02 O ATOM 432 CB HIS A 28 -1.025 -26.996 13.258 1.00 70.31 C ATOM 433 CG HIS A 28 0.101 -27.836 12.737 1.00 12.32 C ATOM 434 ND1 HIS A 28 1.412 -27.408 12.717 1.00 34.24 N ATOM 435 CD2 HIS A 28 0.106 -29.085 12.217 1.00 62.23 C ATOM 436 CE1 HIS A 28 2.174 -28.358 12.206 1.00 43.44 C ATOM 437 NE2 HIS A 28 1.407 -29.386 11.894 1.00 34.21 N ATOM 0 H HIS A 28 -2.416 -24.990 13.882 1.00 25.21 H new ATOM 0 HA HIS A 28 -0.713 -25.642 11.619 1.00 24.42 H new ATOM 0 HB2 HIS A 28 -0.693 -26.475 14.156 1.00 70.31 H new ATOM 0 HB3 HIS A 28 -1.847 -27.648 13.554 1.00 70.31 H new ATOM 0 HD2 HIS A 28 -0.753 -29.726 12.081 1.00 62.23 H new ATOM 0 HE1 HIS A 28 3.244 -28.303 12.067 1.00 43.44 H new ATOM 0 HE2 HIS A 28 1.728 -30.261 11.480 1.00 34.21 H new ATOM 445 N LEU A 29 -2.168 -27.173 10.237 1.00 13.25 N ATOM 446 CA LEU A 29 -3.083 -27.814 9.299 1.00 24.41 C ATOM 447 C LEU A 29 -2.406 -28.985 8.593 1.00 24.04 C ATOM 448 O LEU A 29 -1.202 -29.201 8.739 1.00 1.24 O ATOM 449 CB LEU A 29 -3.580 -26.801 8.267 1.00 10.32 C ATOM 450 CG LEU A 29 -2.557 -25.768 7.794 1.00 42.23 C ATOM 451 CD1 LEU A 29 -1.370 -26.455 7.135 1.00 14.33 C ATOM 452 CD2 LEU A 29 -3.202 -24.778 6.835 1.00 74.45 C ATOM 0 H LEU A 29 -1.188 -27.202 9.957 1.00 13.25 H new ATOM 0 HA LEU A 29 -3.934 -28.196 9.863 1.00 24.41 H new ATOM 0 HB2 LEU A 29 -3.944 -27.348 7.397 1.00 10.32 H new ATOM 0 HB3 LEU A 29 -4.433 -26.271 8.690 1.00 10.32 H new ATOM 0 HG LEU A 29 -2.196 -25.218 8.663 1.00 42.23 H new ATOM 0 HD11 LEU A 29 -0.652 -25.704 6.805 1.00 14.33 H new ATOM 0 HD12 LEU A 29 -0.892 -27.123 7.852 1.00 14.33 H new ATOM 0 HD13 LEU A 29 -1.714 -27.031 6.276 1.00 14.33 H new ATOM 0 HD21 LEU A 29 -2.459 -24.050 6.509 1.00 74.45 H new ATOM 0 HD22 LEU A 29 -3.592 -25.312 5.968 1.00 74.45 H new ATOM 0 HD23 LEU A 29 -4.018 -24.261 7.340 1.00 74.45 H new ATOM 464 N THR A 30 -3.187 -29.738 7.825 1.00 23.32 N ATOM 465 CA THR A 30 -2.663 -30.886 7.096 1.00 72.14 C ATOM 466 C THR A 30 -2.656 -30.626 5.594 1.00 64.04 C ATOM 467 O THR A 30 -3.068 -29.561 5.136 1.00 74.30 O ATOM 468 CB THR A 30 -3.487 -32.156 7.381 1.00 64.30 C ATOM 469 OG1 THR A 30 -2.806 -33.307 6.868 1.00 5.05 O ATOM 470 CG2 THR A 30 -4.869 -32.058 6.753 1.00 2.55 C ATOM 0 H THR A 30 -4.185 -29.573 7.692 1.00 23.32 H new ATOM 0 HA THR A 30 -1.640 -31.040 7.441 1.00 72.14 H new ATOM 0 HB THR A 30 -3.602 -32.252 8.461 1.00 64.30 H new ATOM 0 HG1 THR A 30 -3.335 -34.110 7.055 1.00 5.05 H new ATOM 0 HG21 THR A 30 -5.432 -32.966 6.968 1.00 2.55 H new ATOM 0 HG22 THR A 30 -5.396 -31.198 7.166 1.00 2.55 H new ATOM 0 HG23 THR A 30 -4.771 -31.939 5.674 1.00 2.55 H new ATOM 478 N GLY A 31 -2.184 -31.607 4.830 1.00 44.11 N ATOM 479 CA GLY A 31 -2.132 -31.464 3.387 1.00 61.03 C ATOM 480 C GLY A 31 -3.475 -31.087 2.793 1.00 63.41 C ATOM 481 O GLY A 31 -3.583 -30.109 2.053 1.00 63.54 O ATOM 0 H GLY A 31 -1.837 -32.498 5.185 1.00 44.11 H new ATOM 0 HA2 GLY A 31 -1.396 -30.703 3.127 1.00 61.03 H new ATOM 0 HA3 GLY A 31 -1.792 -32.400 2.944 1.00 61.03 H new ATOM 485 N LYS A 32 -4.502 -31.866 3.116 1.00 41.30 N ATOM 486 CA LYS A 32 -5.845 -31.610 2.610 1.00 72.13 C ATOM 487 C LYS A 32 -6.306 -30.203 2.975 1.00 3.44 C ATOM 488 O LYS A 32 -6.717 -29.431 2.110 1.00 1.40 O ATOM 489 CB LYS A 32 -6.828 -32.641 3.169 1.00 71.21 C ATOM 490 CG LYS A 32 -6.547 -34.061 2.709 1.00 73.13 C ATOM 491 CD LYS A 32 -7.494 -34.485 1.598 1.00 44.32 C ATOM 492 CE LYS A 32 -8.902 -34.717 2.124 1.00 63.53 C ATOM 493 NZ LYS A 32 -9.006 -35.995 2.882 1.00 14.31 N ATOM 0 H LYS A 32 -4.430 -32.680 3.726 1.00 41.30 H new ATOM 0 HA LYS A 32 -5.818 -31.694 1.524 1.00 72.13 H new ATOM 0 HB2 LYS A 32 -6.796 -32.608 4.258 1.00 71.21 H new ATOM 0 HB3 LYS A 32 -7.840 -32.365 2.871 1.00 71.21 H new ATOM 0 HG2 LYS A 32 -5.518 -34.134 2.358 1.00 73.13 H new ATOM 0 HG3 LYS A 32 -6.645 -34.744 3.553 1.00 73.13 H new ATOM 0 HD2 LYS A 32 -7.515 -33.718 0.824 1.00 44.32 H new ATOM 0 HD3 LYS A 32 -7.124 -35.398 1.132 1.00 44.32 H new ATOM 0 HE2 LYS A 32 -9.190 -33.887 2.769 1.00 63.53 H new ATOM 0 HE3 LYS A 32 -9.604 -34.731 1.290 1.00 63.53 H new ATOM 0 HZ1 LYS A 32 -9.973 -36.368 2.802 1.00 14.31 H new ATOM 0 HZ2 LYS A 32 -8.335 -36.686 2.491 1.00 14.31 H new ATOM 0 HZ3 LYS A 32 -8.782 -35.824 3.883 1.00 14.31 H new ATOM 507 N GLU A 33 -6.232 -29.876 4.262 1.00 71.20 N ATOM 508 CA GLU A 33 -6.641 -28.561 4.740 1.00 13.13 C ATOM 509 C GLU A 33 -5.872 -27.457 4.021 1.00 42.22 C ATOM 510 O GLU A 33 -6.439 -26.427 3.654 1.00 32.34 O ATOM 511 CB GLU A 33 -6.420 -28.451 6.250 1.00 21.23 C ATOM 512 CG GLU A 33 -6.538 -27.032 6.781 1.00 22.43 C ATOM 513 CD GLU A 33 -6.891 -26.989 8.255 1.00 2.33 C ATOM 514 OE1 GLU A 33 -7.008 -28.069 8.870 1.00 33.02 O ATOM 515 OE2 GLU A 33 -7.049 -25.873 8.794 1.00 51.01 O ATOM 0 H GLU A 33 -5.893 -30.503 4.991 1.00 71.20 H new ATOM 0 HA GLU A 33 -7.703 -28.439 4.526 1.00 13.13 H new ATOM 0 HB2 GLU A 33 -7.146 -29.083 6.762 1.00 21.23 H new ATOM 0 HB3 GLU A 33 -5.431 -28.840 6.493 1.00 21.23 H new ATOM 0 HG2 GLU A 33 -5.595 -26.509 6.621 1.00 22.43 H new ATOM 0 HG3 GLU A 33 -7.299 -26.497 6.213 1.00 22.43 H new ATOM 522 N TYR A 34 -4.577 -27.679 3.823 1.00 53.32 N ATOM 523 CA TYR A 34 -3.729 -26.702 3.150 1.00 25.33 C ATOM 524 C TYR A 34 -4.225 -26.433 1.733 1.00 14.23 C ATOM 525 O TYR A 34 -4.127 -25.313 1.230 1.00 23.54 O ATOM 526 CB TYR A 34 -2.281 -27.195 3.110 1.00 31.50 C ATOM 527 CG TYR A 34 -1.315 -26.190 2.526 1.00 61.05 C ATOM 528 CD1 TYR A 34 -1.016 -25.012 3.198 1.00 2.23 C ATOM 529 CD2 TYR A 34 -0.700 -26.419 1.301 1.00 53.05 C ATOM 530 CE1 TYR A 34 -0.134 -24.090 2.667 1.00 33.25 C ATOM 531 CE2 TYR A 34 0.184 -25.504 0.763 1.00 53.43 C ATOM 532 CZ TYR A 34 0.463 -24.341 1.450 1.00 40.33 C ATOM 533 OH TYR A 34 1.343 -23.426 0.918 1.00 11.32 O ATOM 0 H TYR A 34 -4.092 -28.526 4.119 1.00 53.32 H new ATOM 0 HA TYR A 34 -3.774 -25.770 3.714 1.00 25.33 H new ATOM 0 HB2 TYR A 34 -1.963 -27.446 4.122 1.00 31.50 H new ATOM 0 HB3 TYR A 34 -2.235 -28.113 2.525 1.00 31.50 H new ATOM 0 HD1 TYR A 34 -1.481 -24.813 4.152 1.00 2.23 H new ATOM 0 HD2 TYR A 34 -0.917 -27.328 0.760 1.00 53.05 H new ATOM 0 HE1 TYR A 34 0.086 -23.178 3.202 1.00 33.25 H new ATOM 0 HE2 TYR A 34 0.654 -25.698 -0.190 1.00 53.43 H new ATOM 0 HH TYR A 34 2.220 -23.847 0.798 1.00 11.32 H new ATOM 543 N VAL A 35 -4.761 -27.468 1.094 1.00 30.01 N ATOM 544 CA VAL A 35 -5.276 -27.345 -0.264 1.00 42.44 C ATOM 545 C VAL A 35 -6.542 -26.496 -0.297 1.00 71.33 C ATOM 546 O VAL A 35 -6.702 -25.632 -1.161 1.00 23.43 O ATOM 547 CB VAL A 35 -5.580 -28.725 -0.877 1.00 45.30 C ATOM 548 CG1 VAL A 35 -6.392 -28.575 -2.154 1.00 70.12 C ATOM 549 CG2 VAL A 35 -4.289 -29.485 -1.142 1.00 60.14 C ATOM 0 H VAL A 35 -4.850 -28.401 1.496 1.00 30.01 H new ATOM 0 HA VAL A 35 -4.500 -26.857 -0.854 1.00 42.44 H new ATOM 0 HB VAL A 35 -6.173 -29.298 -0.164 1.00 45.30 H new ATOM 0 HG11 VAL A 35 -6.597 -29.560 -2.573 1.00 70.12 H new ATOM 0 HG12 VAL A 35 -7.333 -28.073 -1.930 1.00 70.12 H new ATOM 0 HG13 VAL A 35 -5.829 -27.984 -2.876 1.00 70.12 H new ATOM 0 HG21 VAL A 35 -4.522 -30.458 -1.575 1.00 60.14 H new ATOM 0 HG22 VAL A 35 -3.669 -28.918 -1.836 1.00 60.14 H new ATOM 0 HG23 VAL A 35 -3.750 -29.625 -0.205 1.00 60.14 H new ATOM 559 N LEU A 36 -7.440 -26.748 0.648 1.00 15.44 N ATOM 560 CA LEU A 36 -8.694 -26.006 0.729 1.00 33.30 C ATOM 561 C LEU A 36 -8.455 -24.583 1.221 1.00 5.44 C ATOM 562 O LEU A 36 -9.162 -23.652 0.833 1.00 70.35 O ATOM 563 CB LEU A 36 -9.674 -26.722 1.661 1.00 62.13 C ATOM 564 CG LEU A 36 -10.505 -27.840 1.030 1.00 23.22 C ATOM 565 CD1 LEU A 36 -9.652 -29.080 0.811 1.00 62.05 C ATOM 566 CD2 LEU A 36 -11.709 -28.166 1.902 1.00 63.43 C ATOM 0 H LEU A 36 -7.324 -27.460 1.369 1.00 15.44 H new ATOM 0 HA LEU A 36 -9.123 -25.957 -0.272 1.00 33.30 H new ATOM 0 HB2 LEU A 36 -9.111 -27.141 2.495 1.00 62.13 H new ATOM 0 HB3 LEU A 36 -10.356 -25.981 2.078 1.00 62.13 H new ATOM 0 HG LEU A 36 -10.866 -27.496 0.061 1.00 23.22 H new ATOM 0 HD11 LEU A 36 -10.260 -29.865 0.361 1.00 62.05 H new ATOM 0 HD12 LEU A 36 -8.822 -28.838 0.147 1.00 62.05 H new ATOM 0 HD13 LEU A 36 -9.262 -29.427 1.768 1.00 62.05 H new ATOM 0 HD21 LEU A 36 -12.289 -28.964 1.438 1.00 63.43 H new ATOM 0 HD22 LEU A 36 -11.369 -28.490 2.886 1.00 63.43 H new ATOM 0 HD23 LEU A 36 -12.333 -27.278 2.008 1.00 63.43 H new ATOM 578 N LEU A 37 -7.452 -24.419 2.077 1.00 23.31 N ATOM 579 CA LEU A 37 -7.116 -23.108 2.621 1.00 32.03 C ATOM 580 C LEU A 37 -6.358 -22.271 1.596 1.00 12.42 C ATOM 581 O LEU A 37 -6.751 -21.146 1.287 1.00 74.41 O ATOM 582 CB LEU A 37 -6.278 -23.261 3.892 1.00 53.40 C ATOM 583 CG LEU A 37 -7.037 -23.143 5.214 1.00 2.34 C ATOM 584 CD1 LEU A 37 -8.172 -24.153 5.270 1.00 15.42 C ATOM 585 CD2 LEU A 37 -6.091 -23.335 6.391 1.00 60.42 C ATOM 0 H LEU A 37 -6.857 -25.178 2.409 1.00 23.31 H new ATOM 0 HA LEU A 37 -8.046 -22.594 2.866 1.00 32.03 H new ATOM 0 HB2 LEU A 37 -5.786 -24.233 3.864 1.00 53.40 H new ATOM 0 HB3 LEU A 37 -5.492 -22.506 3.878 1.00 53.40 H new ATOM 0 HG LEU A 37 -7.465 -22.143 5.277 1.00 2.34 H new ATOM 0 HD11 LEU A 37 -8.701 -24.054 6.218 1.00 15.42 H new ATOM 0 HD12 LEU A 37 -8.864 -23.969 4.448 1.00 15.42 H new ATOM 0 HD13 LEU A 37 -7.767 -25.161 5.184 1.00 15.42 H new ATOM 0 HD21 LEU A 37 -6.648 -23.248 7.324 1.00 60.42 H new ATOM 0 HD22 LEU A 37 -5.633 -24.323 6.333 1.00 60.42 H new ATOM 0 HD23 LEU A 37 -5.313 -22.572 6.361 1.00 60.42 H new ATOM 597 N GLU A 38 -5.271 -22.828 1.072 1.00 51.23 N ATOM 598 CA GLU A 38 -4.460 -22.132 0.080 1.00 5.11 C ATOM 599 C GLU A 38 -5.324 -21.623 -1.070 1.00 3.31 C ATOM 600 O GLU A 38 -5.053 -20.567 -1.645 1.00 34.33 O ATOM 601 CB GLU A 38 -3.368 -23.059 -0.459 1.00 41.43 C ATOM 602 CG GLU A 38 -3.883 -24.102 -1.436 1.00 73.20 C ATOM 603 CD GLU A 38 -2.777 -24.978 -1.991 1.00 32.40 C ATOM 604 OE1 GLU A 38 -1.657 -24.942 -1.440 1.00 15.13 O ATOM 605 OE2 GLU A 38 -3.032 -25.701 -2.977 1.00 72.21 O ATOM 0 H GLU A 38 -4.932 -23.758 1.317 1.00 51.23 H new ATOM 0 HA GLU A 38 -3.993 -21.276 0.566 1.00 5.11 H new ATOM 0 HB2 GLU A 38 -2.604 -22.458 -0.952 1.00 41.43 H new ATOM 0 HB3 GLU A 38 -2.886 -23.564 0.378 1.00 41.43 H new ATOM 0 HG2 GLU A 38 -4.622 -24.729 -0.936 1.00 73.20 H new ATOM 0 HG3 GLU A 38 -4.393 -23.602 -2.259 1.00 73.20 H new ATOM 612 N LEU A 39 -6.364 -22.380 -1.401 1.00 23.13 N ATOM 613 CA LEU A 39 -7.269 -22.007 -2.483 1.00 25.05 C ATOM 614 C LEU A 39 -8.259 -20.943 -2.021 1.00 53.02 C ATOM 615 O LEU A 39 -8.584 -20.017 -2.766 1.00 2.12 O ATOM 616 CB LEU A 39 -8.023 -23.237 -2.990 1.00 32.12 C ATOM 617 CG LEU A 39 -7.506 -23.853 -4.290 1.00 51.45 C ATOM 618 CD1 LEU A 39 -7.817 -22.946 -5.471 1.00 14.31 C ATOM 619 CD2 LEU A 39 -6.010 -24.116 -4.198 1.00 72.21 C ATOM 0 H LEU A 39 -6.602 -23.256 -0.936 1.00 23.13 H new ATOM 0 HA LEU A 39 -6.673 -21.594 -3.297 1.00 25.05 H new ATOM 0 HB2 LEU A 39 -7.995 -24.001 -2.213 1.00 32.12 H new ATOM 0 HB3 LEU A 39 -9.069 -22.964 -3.131 1.00 32.12 H new ATOM 0 HG LEU A 39 -8.013 -24.805 -4.445 1.00 51.45 H new ATOM 0 HD11 LEU A 39 -7.442 -23.401 -6.388 1.00 14.31 H new ATOM 0 HD12 LEU A 39 -8.895 -22.808 -5.550 1.00 14.31 H new ATOM 0 HD13 LEU A 39 -7.337 -21.979 -5.323 1.00 14.31 H new ATOM 0 HD21 LEU A 39 -5.660 -24.555 -5.132 1.00 72.21 H new ATOM 0 HD22 LEU A 39 -5.486 -23.177 -4.019 1.00 72.21 H new ATOM 0 HD23 LEU A 39 -5.812 -24.805 -3.377 1.00 72.21 H new ATOM 631 N LEU A 40 -8.735 -21.080 -0.789 1.00 12.04 N ATOM 632 CA LEU A 40 -9.688 -20.129 -0.226 1.00 43.01 C ATOM 633 C LEU A 40 -9.060 -18.746 -0.089 1.00 43.30 C ATOM 634 O LEU A 40 -9.637 -17.745 -0.516 1.00 41.11 O ATOM 635 CB LEU A 40 -10.179 -20.616 1.138 1.00 13.22 C ATOM 636 CG LEU A 40 -11.548 -21.298 1.154 1.00 25.32 C ATOM 637 CD1 LEU A 40 -11.916 -21.721 2.568 1.00 74.54 C ATOM 638 CD2 LEU A 40 -12.611 -20.375 0.577 1.00 22.03 C ATOM 0 H LEU A 40 -8.477 -21.840 -0.160 1.00 12.04 H new ATOM 0 HA LEU A 40 -10.537 -20.057 -0.906 1.00 43.01 H new ATOM 0 HB2 LEU A 40 -9.443 -21.313 1.539 1.00 13.22 H new ATOM 0 HB3 LEU A 40 -10.212 -19.763 1.816 1.00 13.22 H new ATOM 0 HG LEU A 40 -11.495 -22.191 0.531 1.00 25.32 H new ATOM 0 HD11 LEU A 40 -12.893 -22.204 2.561 1.00 74.54 H new ATOM 0 HD12 LEU A 40 -11.169 -22.419 2.945 1.00 74.54 H new ATOM 0 HD13 LEU A 40 -11.951 -20.843 3.213 1.00 74.54 H new ATOM 0 HD21 LEU A 40 -13.578 -20.877 0.596 1.00 22.03 H new ATOM 0 HD22 LEU A 40 -12.663 -19.463 1.172 1.00 22.03 H new ATOM 0 HD23 LEU A 40 -12.354 -20.122 -0.452 1.00 22.03 H new ATOM 650 N LEU A 41 -7.874 -18.697 0.507 1.00 4.21 N ATOM 651 CA LEU A 41 -7.165 -17.436 0.699 1.00 61.14 C ATOM 652 C LEU A 41 -6.726 -16.849 -0.639 1.00 71.53 C ATOM 653 O LEU A 41 -6.909 -15.660 -0.895 1.00 40.34 O ATOM 654 CB LEU A 41 -5.947 -17.645 1.601 1.00 54.42 C ATOM 655 CG LEU A 41 -4.965 -18.731 1.162 1.00 32.32 C ATOM 656 CD1 LEU A 41 -3.806 -18.122 0.389 1.00 25.35 C ATOM 657 CD2 LEU A 41 -4.456 -19.508 2.368 1.00 41.13 C ATOM 0 H LEU A 41 -7.383 -19.516 0.866 1.00 4.21 H new ATOM 0 HA LEU A 41 -7.847 -16.733 1.177 1.00 61.14 H new ATOM 0 HB2 LEU A 41 -5.406 -16.701 1.672 1.00 54.42 H new ATOM 0 HB3 LEU A 41 -6.300 -17.886 2.604 1.00 54.42 H new ATOM 0 HG LEU A 41 -5.489 -19.424 0.503 1.00 32.32 H new ATOM 0 HD11 LEU A 41 -3.117 -18.910 0.085 1.00 25.35 H new ATOM 0 HD12 LEU A 41 -4.187 -17.612 -0.496 1.00 25.35 H new ATOM 0 HD13 LEU A 41 -3.282 -17.407 1.023 1.00 25.35 H new ATOM 0 HD21 LEU A 41 -3.758 -20.277 2.037 1.00 41.13 H new ATOM 0 HD22 LEU A 41 -3.949 -18.827 3.052 1.00 41.13 H new ATOM 0 HD23 LEU A 41 -5.296 -19.977 2.880 1.00 41.13 H new ATOM 669 N GLN A 42 -6.149 -17.693 -1.489 1.00 22.13 N ATOM 670 CA GLN A 42 -5.686 -17.258 -2.801 1.00 3.30 C ATOM 671 C GLN A 42 -6.802 -16.555 -3.566 1.00 41.34 C ATOM 672 O GLN A 42 -6.597 -15.484 -4.138 1.00 43.21 O ATOM 673 CB GLN A 42 -5.173 -18.453 -3.607 1.00 1.35 C ATOM 674 CG GLN A 42 -4.668 -18.081 -4.991 1.00 62.24 C ATOM 675 CD GLN A 42 -3.678 -19.089 -5.541 1.00 61.13 C ATOM 676 OE1 GLN A 42 -3.564 -20.205 -5.034 1.00 74.42 O ATOM 677 NE2 GLN A 42 -2.954 -18.700 -6.585 1.00 35.13 N ATOM 0 H GLN A 42 -5.991 -18.681 -1.292 1.00 22.13 H new ATOM 0 HA GLN A 42 -4.869 -16.551 -2.654 1.00 3.30 H new ATOM 0 HB2 GLN A 42 -4.368 -18.936 -3.053 1.00 1.35 H new ATOM 0 HB3 GLN A 42 -5.975 -19.185 -3.706 1.00 1.35 H new ATOM 0 HG2 GLN A 42 -5.515 -18.000 -5.673 1.00 62.24 H new ATOM 0 HG3 GLN A 42 -4.196 -17.099 -4.950 1.00 62.24 H new ATOM 0 HE21 GLN A 42 -3.081 -17.766 -6.974 1.00 35.13 H new ATOM 0 HE22 GLN A 42 -2.271 -19.336 -6.998 1.00 35.13 H new ATOM 686 N ARG A 43 -7.983 -17.164 -3.574 1.00 22.35 N ATOM 687 CA ARG A 43 -9.131 -16.597 -4.270 1.00 71.43 C ATOM 688 C ARG A 43 -10.016 -15.810 -3.308 1.00 72.15 C ATOM 689 O ARG A 43 -11.203 -15.604 -3.566 1.00 62.10 O ATOM 690 CB ARG A 43 -9.946 -17.705 -4.940 1.00 33.33 C ATOM 691 CG ARG A 43 -9.578 -17.937 -6.396 1.00 30.40 C ATOM 692 CD ARG A 43 -8.108 -18.297 -6.548 1.00 74.23 C ATOM 693 NE ARG A 43 -7.713 -18.400 -7.950 1.00 45.34 N ATOM 694 CZ ARG A 43 -6.647 -19.075 -8.366 1.00 4.05 C ATOM 695 NH1 ARG A 43 -5.874 -19.704 -7.491 1.00 33.43 N ATOM 696 NH2 ARG A 43 -6.352 -19.122 -9.658 1.00 44.14 N ATOM 0 H ARG A 43 -8.170 -18.051 -3.106 1.00 22.35 H new ATOM 0 HA ARG A 43 -8.760 -15.915 -5.035 1.00 71.43 H new ATOM 0 HB2 ARG A 43 -9.805 -18.633 -4.386 1.00 33.33 H new ATOM 0 HB3 ARG A 43 -11.005 -17.454 -4.877 1.00 33.33 H new ATOM 0 HG2 ARG A 43 -10.194 -18.738 -6.805 1.00 30.40 H new ATOM 0 HG3 ARG A 43 -9.796 -17.040 -6.975 1.00 30.40 H new ATOM 0 HD2 ARG A 43 -7.497 -17.542 -6.053 1.00 74.23 H new ATOM 0 HD3 ARG A 43 -7.913 -19.244 -6.046 1.00 74.23 H new ATOM 0 HE ARG A 43 -8.287 -17.928 -8.648 1.00 45.34 H new ATOM 0 HH11 ARG A 43 -6.097 -19.670 -6.496 1.00 33.43 H new ATOM 0 HH12 ARG A 43 -5.056 -20.222 -7.813 1.00 33.43 H new ATOM 0 HH21 ARG A 43 -6.944 -18.639 -10.334 1.00 44.14 H new ATOM 0 HH22 ARG A 43 -5.533 -19.641 -9.976 1.00 44.14 H new ATOM 710 N THR A 44 -9.431 -15.372 -2.198 1.00 34.12 N ATOM 711 CA THR A 44 -10.166 -14.609 -1.197 1.00 33.43 C ATOM 712 C THR A 44 -10.914 -13.443 -1.833 1.00 62.44 C ATOM 713 O THR A 44 -10.367 -12.725 -2.669 1.00 72.35 O ATOM 714 CB THR A 44 -9.227 -14.067 -0.103 1.00 52.51 C ATOM 715 OG1 THR A 44 -9.990 -13.414 0.918 1.00 31.54 O ATOM 716 CG2 THR A 44 -8.219 -13.091 -0.691 1.00 10.30 C ATOM 0 H THR A 44 -8.450 -15.533 -1.969 1.00 34.12 H new ATOM 0 HA THR A 44 -10.884 -15.292 -0.743 1.00 33.43 H new ATOM 0 HB THR A 44 -8.686 -14.908 0.330 1.00 52.51 H new ATOM 0 HG1 THR A 44 -9.386 -13.074 1.611 1.00 31.54 H new ATOM 0 HG21 THR A 44 -7.567 -12.721 0.100 1.00 10.30 H new ATOM 0 HG22 THR A 44 -7.620 -13.598 -1.448 1.00 10.30 H new ATOM 0 HG23 THR A 44 -8.747 -12.253 -1.147 1.00 10.30 H new ATOM 724 N GLY A 45 -12.168 -13.260 -1.431 1.00 60.05 N ATOM 725 CA GLY A 45 -12.970 -12.179 -1.973 1.00 41.42 C ATOM 726 C GLY A 45 -13.945 -12.654 -3.032 1.00 32.03 C ATOM 727 O GLY A 45 -14.990 -12.039 -3.243 1.00 3.23 O ATOM 0 H GLY A 45 -12.643 -13.841 -0.740 1.00 60.05 H new ATOM 0 HA2 GLY A 45 -13.522 -11.700 -1.164 1.00 41.42 H new ATOM 0 HA3 GLY A 45 -12.312 -11.423 -2.402 1.00 41.42 H new ATOM 731 N GLU A 46 -13.603 -13.751 -3.700 1.00 22.23 N ATOM 732 CA GLU A 46 -14.456 -14.306 -4.744 1.00 21.30 C ATOM 733 C GLU A 46 -14.820 -15.756 -4.436 1.00 4.00 C ATOM 734 O GLU A 46 -14.110 -16.443 -3.702 1.00 24.42 O ATOM 735 CB GLU A 46 -13.757 -14.222 -6.103 1.00 13.13 C ATOM 736 CG GLU A 46 -12.303 -14.660 -6.067 1.00 42.24 C ATOM 737 CD GLU A 46 -11.622 -14.533 -7.417 1.00 14.44 C ATOM 738 OE1 GLU A 46 -11.943 -15.332 -8.321 1.00 42.30 O ATOM 739 OE2 GLU A 46 -10.769 -13.633 -7.568 1.00 32.14 O ATOM 0 H GLU A 46 -12.742 -14.273 -3.537 1.00 22.23 H new ATOM 0 HA GLU A 46 -15.373 -13.718 -4.778 1.00 21.30 H new ATOM 0 HB2 GLU A 46 -14.297 -14.842 -6.819 1.00 13.13 H new ATOM 0 HB3 GLU A 46 -13.810 -13.196 -6.467 1.00 13.13 H new ATOM 0 HG2 GLU A 46 -11.764 -14.059 -5.334 1.00 42.24 H new ATOM 0 HG3 GLU A 46 -12.248 -15.696 -5.732 1.00 42.24 H new ATOM 746 N VAL A 47 -15.931 -16.214 -5.002 1.00 75.23 N ATOM 747 CA VAL A 47 -16.390 -17.582 -4.790 1.00 13.34 C ATOM 748 C VAL A 47 -15.753 -18.537 -5.792 1.00 22.43 C ATOM 749 O VAL A 47 -15.753 -18.282 -6.997 1.00 34.23 O ATOM 750 CB VAL A 47 -17.923 -17.683 -4.903 1.00 60.51 C ATOM 751 CG1 VAL A 47 -18.401 -19.060 -4.466 1.00 43.10 C ATOM 752 CG2 VAL A 47 -18.591 -16.592 -4.081 1.00 34.12 C ATOM 0 H VAL A 47 -16.531 -15.658 -5.611 1.00 75.23 H new ATOM 0 HA VAL A 47 -16.088 -17.865 -3.782 1.00 13.34 H new ATOM 0 HB VAL A 47 -18.203 -17.542 -5.947 1.00 60.51 H new ATOM 0 HG11 VAL A 47 -19.486 -19.113 -4.553 1.00 43.10 H new ATOM 0 HG12 VAL A 47 -17.949 -19.821 -5.102 1.00 43.10 H new ATOM 0 HG13 VAL A 47 -18.111 -19.234 -3.430 1.00 43.10 H new ATOM 0 HG21 VAL A 47 -19.674 -16.679 -4.173 1.00 34.12 H new ATOM 0 HG22 VAL A 47 -18.306 -16.699 -3.034 1.00 34.12 H new ATOM 0 HG23 VAL A 47 -18.273 -15.615 -4.446 1.00 34.12 H new ATOM 762 N LEU A 48 -15.210 -19.639 -5.287 1.00 24.45 N ATOM 763 CA LEU A 48 -14.568 -20.636 -6.138 1.00 12.34 C ATOM 764 C LEU A 48 -15.357 -21.941 -6.137 1.00 71.23 C ATOM 765 O LEU A 48 -16.159 -22.211 -5.242 1.00 43.55 O ATOM 766 CB LEU A 48 -13.136 -20.892 -5.666 1.00 2.01 C ATOM 767 CG LEU A 48 -12.882 -20.720 -4.168 1.00 24.21 C ATOM 768 CD1 LEU A 48 -11.759 -21.637 -3.708 1.00 63.24 C ATOM 769 CD2 LEU A 48 -12.554 -19.270 -3.845 1.00 42.44 C ATOM 0 H LEU A 48 -15.201 -19.865 -4.292 1.00 24.45 H new ATOM 0 HA LEU A 48 -14.544 -20.248 -7.156 1.00 12.34 H new ATOM 0 HB2 LEU A 48 -12.858 -21.908 -5.947 1.00 2.01 H new ATOM 0 HB3 LEU A 48 -12.471 -20.219 -6.207 1.00 2.01 H new ATOM 0 HG LEU A 48 -13.791 -20.994 -3.632 1.00 24.21 H new ATOM 0 HD11 LEU A 48 -11.593 -21.501 -2.639 1.00 63.24 H new ATOM 0 HD12 LEU A 48 -12.033 -22.674 -3.903 1.00 63.24 H new ATOM 0 HD13 LEU A 48 -10.846 -21.395 -4.251 1.00 63.24 H new ATOM 0 HD21 LEU A 48 -12.376 -19.167 -2.775 1.00 42.44 H new ATOM 0 HD22 LEU A 48 -11.661 -18.969 -4.392 1.00 42.44 H new ATOM 0 HD23 LEU A 48 -13.390 -18.634 -4.137 1.00 42.44 H new ATOM 781 N PRO A 49 -15.125 -22.774 -7.163 1.00 44.41 N ATOM 782 CA PRO A 49 -15.802 -24.066 -7.303 1.00 23.24 C ATOM 783 C PRO A 49 -15.347 -25.075 -6.253 1.00 71.04 C ATOM 784 O PRO A 49 -14.394 -24.829 -5.514 1.00 64.14 O ATOM 785 CB PRO A 49 -15.394 -24.531 -8.703 1.00 50.20 C ATOM 786 CG PRO A 49 -14.099 -23.844 -8.968 1.00 2.01 C ATOM 787 CD PRO A 49 -14.182 -22.517 -8.265 1.00 75.13 C ATOM 0 HA PRO A 49 -16.880 -23.978 -7.166 1.00 23.24 H new ATOM 0 HB2 PRO A 49 -15.283 -25.615 -8.743 1.00 50.20 H new ATOM 0 HB3 PRO A 49 -16.145 -24.260 -9.445 1.00 50.20 H new ATOM 0 HG2 PRO A 49 -13.261 -24.432 -8.593 1.00 2.01 H new ATOM 0 HG3 PRO A 49 -13.941 -23.709 -10.038 1.00 2.01 H new ATOM 0 HD2 PRO A 49 -13.208 -22.197 -7.894 1.00 75.13 H new ATOM 0 HD3 PRO A 49 -14.544 -21.732 -8.929 1.00 75.13 H new ATOM 795 N ARG A 50 -16.035 -26.211 -6.194 1.00 2.41 N ATOM 796 CA ARG A 50 -15.702 -27.256 -5.234 1.00 64.32 C ATOM 797 C ARG A 50 -14.951 -28.398 -5.913 1.00 63.11 C ATOM 798 O ARG A 50 -14.051 -28.999 -5.326 1.00 0.44 O ATOM 799 CB ARG A 50 -16.971 -27.791 -4.569 1.00 11.01 C ATOM 800 CG ARG A 50 -16.754 -29.077 -3.788 1.00 13.20 C ATOM 801 CD ARG A 50 -17.023 -30.302 -4.647 1.00 63.42 C ATOM 802 NE ARG A 50 -17.886 -31.266 -3.971 1.00 34.52 N ATOM 803 CZ ARG A 50 -19.175 -31.055 -3.728 1.00 11.21 C ATOM 804 NH1 ARG A 50 -19.746 -29.919 -4.105 1.00 33.04 N ATOM 805 NH2 ARG A 50 -19.895 -31.980 -3.107 1.00 74.55 N ATOM 0 H ARG A 50 -16.826 -26.431 -6.800 1.00 2.41 H new ATOM 0 HA ARG A 50 -15.056 -26.821 -4.471 1.00 64.32 H new ATOM 0 HB2 ARG A 50 -17.367 -27.030 -3.897 1.00 11.01 H new ATOM 0 HB3 ARG A 50 -17.727 -27.964 -5.335 1.00 11.01 H new ATOM 0 HG2 ARG A 50 -15.730 -29.110 -3.416 1.00 13.20 H new ATOM 0 HG3 ARG A 50 -17.410 -29.090 -2.917 1.00 13.20 H new ATOM 0 HD2 ARG A 50 -17.488 -29.993 -5.583 1.00 63.42 H new ATOM 0 HD3 ARG A 50 -16.077 -30.780 -4.903 1.00 63.42 H new ATOM 0 HE ARG A 50 -17.477 -32.150 -3.669 1.00 34.52 H new ATOM 0 HH11 ARG A 50 -19.195 -29.205 -4.582 1.00 33.04 H new ATOM 0 HH12 ARG A 50 -20.736 -29.759 -3.918 1.00 33.04 H new ATOM 0 HH21 ARG A 50 -19.459 -32.855 -2.815 1.00 74.55 H new ATOM 0 HH22 ARG A 50 -20.885 -31.816 -2.921 1.00 74.55 H new ATOM 819 N SER A 51 -15.327 -28.692 -7.153 1.00 74.44 N ATOM 820 CA SER A 51 -14.693 -29.765 -7.911 1.00 1.22 C ATOM 821 C SER A 51 -13.208 -29.480 -8.116 1.00 52.14 C ATOM 822 O SER A 51 -12.367 -30.366 -7.963 1.00 62.42 O ATOM 823 CB SER A 51 -15.383 -29.938 -9.265 1.00 62.43 C ATOM 824 OG SER A 51 -15.330 -28.741 -10.022 1.00 21.33 O ATOM 0 H SER A 51 -16.068 -28.202 -7.655 1.00 74.44 H new ATOM 0 HA SER A 51 -14.793 -30.688 -7.340 1.00 1.22 H new ATOM 0 HB2 SER A 51 -14.904 -30.744 -9.820 1.00 62.43 H new ATOM 0 HB3 SER A 51 -16.422 -30.230 -9.112 1.00 62.43 H new ATOM 0 HG SER A 51 -15.776 -28.879 -10.883 1.00 21.33 H new ATOM 830 N LEU A 52 -12.894 -28.237 -8.464 1.00 64.13 N ATOM 831 CA LEU A 52 -11.510 -27.833 -8.691 1.00 73.04 C ATOM 832 C LEU A 52 -10.648 -28.133 -7.470 1.00 1.25 C ATOM 833 O LEU A 52 -9.607 -28.783 -7.576 1.00 55.25 O ATOM 834 CB LEU A 52 -11.442 -26.342 -9.024 1.00 51.45 C ATOM 835 CG LEU A 52 -10.049 -25.782 -9.317 1.00 74.33 C ATOM 836 CD1 LEU A 52 -9.377 -26.578 -10.426 1.00 10.45 C ATOM 837 CD2 LEU A 52 -10.134 -24.310 -9.691 1.00 1.41 C ATOM 0 H LEU A 52 -13.578 -27.492 -8.595 1.00 64.13 H new ATOM 0 HA LEU A 52 -11.124 -28.405 -9.534 1.00 73.04 H new ATOM 0 HB2 LEU A 52 -12.077 -26.154 -9.890 1.00 51.45 H new ATOM 0 HB3 LEU A 52 -11.868 -25.784 -8.190 1.00 51.45 H new ATOM 0 HG LEU A 52 -9.444 -25.872 -8.415 1.00 74.33 H new ATOM 0 HD11 LEU A 52 -8.387 -26.166 -10.621 1.00 10.45 H new ATOM 0 HD12 LEU A 52 -9.282 -27.620 -10.120 1.00 10.45 H new ATOM 0 HD13 LEU A 52 -9.980 -26.519 -11.332 1.00 10.45 H new ATOM 0 HD21 LEU A 52 -9.134 -23.928 -9.896 1.00 1.41 H new ATOM 0 HD22 LEU A 52 -10.755 -24.196 -10.579 1.00 1.41 H new ATOM 0 HD23 LEU A 52 -10.574 -23.750 -8.866 1.00 1.41 H new ATOM 849 N ILE A 53 -11.088 -27.657 -6.310 1.00 13.12 N ATOM 850 CA ILE A 53 -10.358 -27.877 -5.068 1.00 32.14 C ATOM 851 C ILE A 53 -10.139 -29.365 -4.815 1.00 51.11 C ATOM 852 O ILE A 53 -9.048 -29.786 -4.431 1.00 1.31 O ATOM 853 CB ILE A 53 -11.099 -27.267 -3.863 1.00 75.22 C ATOM 854 CG1 ILE A 53 -11.349 -25.775 -4.092 1.00 60.14 C ATOM 855 CG2 ILE A 53 -10.304 -27.487 -2.585 1.00 41.41 C ATOM 856 CD1 ILE A 53 -12.416 -25.195 -3.190 1.00 60.44 C ATOM 0 H ILE A 53 -11.947 -27.116 -6.205 1.00 13.12 H new ATOM 0 HA ILE A 53 -9.393 -27.383 -5.178 1.00 32.14 H new ATOM 0 HB ILE A 53 -12.063 -27.765 -3.758 1.00 75.22 H new ATOM 0 HG12 ILE A 53 -10.418 -25.231 -3.936 1.00 60.14 H new ATOM 0 HG13 ILE A 53 -11.639 -25.619 -5.131 1.00 60.14 H new ATOM 0 HG21 ILE A 53 -10.841 -27.050 -1.743 1.00 41.41 H new ATOM 0 HG22 ILE A 53 -10.174 -28.556 -2.417 1.00 41.41 H new ATOM 0 HG23 ILE A 53 -9.327 -27.013 -2.678 1.00 41.41 H new ATOM 0 HD11 ILE A 53 -12.540 -24.134 -3.408 1.00 60.44 H new ATOM 0 HD12 ILE A 53 -13.359 -25.713 -3.362 1.00 60.44 H new ATOM 0 HD13 ILE A 53 -12.119 -25.319 -2.149 1.00 60.44 H new ATOM 868 N SER A 54 -11.183 -30.157 -5.035 1.00 74.13 N ATOM 869 CA SER A 54 -11.106 -31.599 -4.830 1.00 12.32 C ATOM 870 C SER A 54 -10.030 -32.217 -5.717 1.00 72.03 C ATOM 871 O SER A 54 -9.416 -33.221 -5.358 1.00 65.34 O ATOM 872 CB SER A 54 -12.460 -32.250 -5.121 1.00 4.12 C ATOM 873 OG SER A 54 -12.614 -32.508 -6.506 1.00 31.25 O ATOM 0 H SER A 54 -12.093 -29.825 -5.355 1.00 74.13 H new ATOM 0 HA SER A 54 -10.841 -31.780 -3.788 1.00 12.32 H new ATOM 0 HB2 SER A 54 -12.547 -33.182 -4.562 1.00 4.12 H new ATOM 0 HB3 SER A 54 -13.262 -31.597 -4.778 1.00 4.12 H new ATOM 0 HG SER A 54 -12.313 -31.729 -7.019 1.00 31.25 H new ATOM 879 N SER A 55 -9.808 -31.609 -6.878 1.00 75.24 N ATOM 880 CA SER A 55 -8.810 -32.101 -7.820 1.00 62.13 C ATOM 881 C SER A 55 -7.399 -31.812 -7.317 1.00 10.43 C ATOM 882 O SER A 55 -6.458 -32.549 -7.613 1.00 42.11 O ATOM 883 CB SER A 55 -9.015 -31.460 -9.194 1.00 64.23 C ATOM 884 OG SER A 55 -8.288 -32.154 -10.194 1.00 0.21 O ATOM 0 H SER A 55 -10.306 -30.775 -7.189 1.00 75.24 H new ATOM 0 HA SER A 55 -8.931 -33.181 -7.909 1.00 62.13 H new ATOM 0 HB2 SER A 55 -10.076 -31.461 -9.445 1.00 64.23 H new ATOM 0 HB3 SER A 55 -8.695 -30.418 -9.164 1.00 64.23 H new ATOM 0 HG SER A 55 -8.437 -31.726 -11.063 1.00 0.21 H new ATOM 890 N LEU A 56 -7.260 -30.733 -6.554 1.00 21.35 N ATOM 891 CA LEU A 56 -5.964 -30.344 -6.007 1.00 73.44 C ATOM 892 C LEU A 56 -5.545 -31.282 -4.879 1.00 53.24 C ATOM 893 O LEU A 56 -4.408 -31.236 -4.410 1.00 14.45 O ATOM 894 CB LEU A 56 -6.016 -28.904 -5.496 1.00 0.31 C ATOM 895 CG LEU A 56 -5.417 -27.842 -6.419 1.00 11.11 C ATOM 896 CD1 LEU A 56 -6.418 -26.724 -6.667 1.00 10.05 C ATOM 897 CD2 LEU A 56 -4.130 -27.286 -5.828 1.00 24.21 C ATOM 0 H LEU A 56 -8.028 -30.112 -6.300 1.00 21.35 H new ATOM 0 HA LEU A 56 -5.225 -30.413 -6.805 1.00 73.44 H new ATOM 0 HB2 LEU A 56 -7.057 -28.645 -5.305 1.00 0.31 H new ATOM 0 HB3 LEU A 56 -5.496 -28.860 -4.539 1.00 0.31 H new ATOM 0 HG LEU A 56 -5.182 -28.310 -7.375 1.00 11.11 H new ATOM 0 HD11 LEU A 56 -5.974 -25.978 -7.326 1.00 10.05 H new ATOM 0 HD12 LEU A 56 -7.313 -27.134 -7.134 1.00 10.05 H new ATOM 0 HD13 LEU A 56 -6.685 -26.258 -5.719 1.00 10.05 H new ATOM 0 HD21 LEU A 56 -3.718 -26.532 -6.498 1.00 24.21 H new ATOM 0 HD22 LEU A 56 -4.340 -26.834 -4.859 1.00 24.21 H new ATOM 0 HD23 LEU A 56 -3.408 -28.093 -5.703 1.00 24.21 H new ATOM 909 N VAL A 57 -6.471 -32.134 -4.450 1.00 40.13 N ATOM 910 CA VAL A 57 -6.197 -33.085 -3.380 1.00 30.12 C ATOM 911 C VAL A 57 -6.491 -34.513 -3.825 1.00 34.20 C ATOM 912 O VAL A 57 -5.576 -35.290 -4.098 1.00 32.14 O ATOM 913 CB VAL A 57 -7.028 -32.769 -2.122 1.00 73.52 C ATOM 914 CG1 VAL A 57 -6.173 -32.065 -1.080 1.00 34.13 C ATOM 915 CG2 VAL A 57 -8.243 -31.928 -2.484 1.00 70.32 C ATOM 0 H VAL A 57 -7.417 -32.185 -4.827 1.00 40.13 H new ATOM 0 HA VAL A 57 -5.138 -32.994 -3.139 1.00 30.12 H new ATOM 0 HB VAL A 57 -7.379 -33.708 -1.694 1.00 73.52 H new ATOM 0 HG11 VAL A 57 -6.777 -31.850 -0.199 1.00 34.13 H new ATOM 0 HG12 VAL A 57 -5.338 -32.708 -0.800 1.00 34.13 H new ATOM 0 HG13 VAL A 57 -5.790 -31.132 -1.494 1.00 34.13 H new ATOM 0 HG21 VAL A 57 -8.819 -31.714 -1.584 1.00 70.32 H new ATOM 0 HG22 VAL A 57 -7.916 -30.992 -2.936 1.00 70.32 H new ATOM 0 HG23 VAL A 57 -8.866 -32.475 -3.192 1.00 70.32 H new ATOM 925 N TRP A 58 -7.773 -34.852 -3.897 1.00 14.02 N ATOM 926 CA TRP A 58 -8.189 -36.188 -4.310 1.00 1.32 C ATOM 927 C TRP A 58 -8.191 -36.311 -5.829 1.00 73.54 C ATOM 928 O TRP A 58 -7.301 -36.929 -6.412 1.00 73.32 O ATOM 929 CB TRP A 58 -9.579 -36.505 -3.758 1.00 35.24 C ATOM 930 CG TRP A 58 -9.548 -37.175 -2.417 1.00 43.40 C ATOM 931 CD1 TRP A 58 -9.149 -36.621 -1.234 1.00 24.41 C ATOM 932 CD2 TRP A 58 -9.928 -38.523 -2.123 1.00 74.24 C ATOM 933 NE1 TRP A 58 -9.258 -37.545 -0.222 1.00 52.14 N ATOM 934 CE2 TRP A 58 -9.735 -38.719 -0.742 1.00 32.21 C ATOM 935 CE3 TRP A 58 -10.416 -39.583 -2.892 1.00 64.53 C ATOM 936 CZ2 TRP A 58 -10.011 -39.932 -0.117 1.00 34.23 C ATOM 937 CZ3 TRP A 58 -10.689 -40.787 -2.270 1.00 41.24 C ATOM 938 CH2 TRP A 58 -10.487 -40.953 -0.894 1.00 32.23 C ATOM 0 H TRP A 58 -8.543 -34.221 -3.675 1.00 14.02 H new ATOM 0 HA TRP A 58 -7.474 -36.905 -3.907 1.00 1.32 H new ATOM 0 HB2 TRP A 58 -10.151 -35.580 -3.681 1.00 35.24 H new ATOM 0 HB3 TRP A 58 -10.105 -37.147 -4.465 1.00 35.24 H new ATOM 0 HD1 TRP A 58 -8.799 -35.607 -1.112 1.00 24.41 H new ATOM 0 HE1 TRP A 58 -9.022 -37.383 0.757 1.00 52.14 H new ATOM 0 HE3 TRP A 58 -10.577 -39.464 -3.953 1.00 64.53 H new ATOM 0 HZ2 TRP A 58 -9.855 -40.063 0.944 1.00 34.23 H new ATOM 0 HZ3 TRP A 58 -11.064 -41.614 -2.855 1.00 41.24 H new ATOM 0 HH2 TRP A 58 -10.711 -41.906 -0.437 1.00 32.23 H new ATOM 949 N ASN A 59 -9.197 -35.720 -6.465 1.00 52.25 N ATOM 950 CA ASN A 59 -9.315 -35.765 -7.918 1.00 43.35 C ATOM 951 C ASN A 59 -10.555 -35.009 -8.388 1.00 24.55 C ATOM 952 O ASN A 59 -11.325 -34.497 -7.576 1.00 50.45 O ATOM 953 CB ASN A 59 -9.374 -37.215 -8.402 1.00 32.25 C ATOM 954 CG ASN A 59 -8.474 -37.464 -9.596 1.00 72.14 C ATOM 955 OD1 ASN A 59 -8.949 -37.651 -10.717 1.00 2.41 O ATOM 956 ND2 ASN A 59 -7.167 -37.468 -9.362 1.00 31.23 N ATOM 0 H ASN A 59 -9.942 -35.204 -5.997 1.00 52.25 H new ATOM 0 HA ASN A 59 -8.435 -35.283 -8.343 1.00 43.35 H new ATOM 0 HB2 ASN A 59 -9.084 -37.879 -7.588 1.00 32.25 H new ATOM 0 HB3 ASN A 59 -10.401 -37.465 -8.667 1.00 32.25 H new ATOM 0 HD21 ASN A 59 -6.512 -37.630 -10.127 1.00 31.23 H new ATOM 0 HD22 ASN A 59 -6.818 -37.309 -8.417 1.00 31.23 H new ATOM 963 N MET A 60 -10.740 -34.946 -9.702 1.00 32.40 N ATOM 964 CA MET A 60 -11.888 -34.256 -10.279 1.00 44.50 C ATOM 965 C MET A 60 -12.916 -35.253 -10.803 1.00 63.11 C ATOM 966 O MET A 60 -12.585 -36.399 -11.103 1.00 62.31 O ATOM 967 CB MET A 60 -11.436 -33.329 -11.410 1.00 14.03 C ATOM 968 CG MET A 60 -11.053 -34.066 -12.683 1.00 12.22 C ATOM 969 SD MET A 60 -10.116 -33.035 -13.827 1.00 3.52 S ATOM 970 CE MET A 60 -10.915 -33.437 -15.378 1.00 53.43 C ATOM 0 H MET A 60 -10.110 -35.364 -10.387 1.00 32.40 H new ATOM 0 HA MET A 60 -12.354 -33.660 -9.494 1.00 44.50 H new ATOM 0 HB2 MET A 60 -12.238 -32.625 -11.634 1.00 14.03 H new ATOM 0 HB3 MET A 60 -10.583 -32.742 -11.069 1.00 14.03 H new ATOM 0 HG2 MET A 60 -10.463 -34.945 -12.425 1.00 12.22 H new ATOM 0 HG3 MET A 60 -11.957 -34.422 -13.178 1.00 12.22 H new ATOM 0 HE1 MET A 60 -10.445 -32.876 -16.186 1.00 53.43 H new ATOM 0 HE2 MET A 60 -10.815 -34.505 -15.572 1.00 53.43 H new ATOM 0 HE3 MET A 60 -11.972 -33.175 -15.321 1.00 53.43 H new ATOM 980 N ASN A 61 -14.164 -34.809 -10.910 1.00 43.22 N ATOM 981 CA ASN A 61 -15.240 -35.664 -11.397 1.00 52.43 C ATOM 982 C ASN A 61 -16.485 -34.842 -11.716 1.00 54.24 C ATOM 983 O ASN A 61 -16.748 -33.820 -11.081 1.00 64.15 O ATOM 984 CB ASN A 61 -15.576 -36.737 -10.360 1.00 71.21 C ATOM 985 CG ASN A 61 -16.432 -37.849 -10.935 1.00 65.44 C ATOM 986 OD1 ASN A 61 -16.318 -38.189 -12.113 1.00 54.55 O ATOM 987 ND2 ASN A 61 -17.294 -38.423 -10.104 1.00 43.20 N ATOM 0 H ASN A 61 -14.455 -33.862 -10.666 1.00 43.22 H new ATOM 0 HA ASN A 61 -14.900 -36.147 -12.313 1.00 52.43 H new ATOM 0 HB2 ASN A 61 -14.652 -37.160 -9.967 1.00 71.21 H new ATOM 0 HB3 ASN A 61 -16.098 -36.277 -9.521 1.00 71.21 H new ATOM 0 HD21 ASN A 61 -17.895 -39.178 -10.434 1.00 43.20 H new ATOM 0 HD22 ASN A 61 -17.355 -38.109 -9.135 1.00 43.20 H new ATOM 994 N PHE A 62 -17.250 -35.295 -12.704 1.00 61.52 N ATOM 995 CA PHE A 62 -18.468 -34.603 -13.108 1.00 43.45 C ATOM 996 C PHE A 62 -19.510 -34.641 -11.995 1.00 13.20 C ATOM 997 O PHE A 62 -20.429 -33.822 -11.962 1.00 10.12 O ATOM 998 CB PHE A 62 -19.040 -35.232 -14.380 1.00 61.32 C ATOM 999 CG PHE A 62 -20.024 -34.351 -15.095 1.00 32.22 C ATOM 1000 CD1 PHE A 62 -19.587 -33.296 -15.879 1.00 53.20 C ATOM 1001 CD2 PHE A 62 -21.386 -34.578 -14.982 1.00 34.10 C ATOM 1002 CE1 PHE A 62 -20.490 -32.483 -16.538 1.00 74.24 C ATOM 1003 CE2 PHE A 62 -22.294 -33.769 -15.639 1.00 71.32 C ATOM 1004 CZ PHE A 62 -21.846 -32.720 -16.417 1.00 43.24 C ATOM 0 H PHE A 62 -17.047 -36.139 -13.240 1.00 61.52 H new ATOM 0 HA PHE A 62 -18.215 -33.562 -13.309 1.00 43.45 H new ATOM 0 HB2 PHE A 62 -18.220 -35.472 -15.057 1.00 61.32 H new ATOM 0 HB3 PHE A 62 -19.527 -36.173 -14.123 1.00 61.32 H new ATOM 0 HD1 PHE A 62 -18.528 -33.106 -15.977 1.00 53.20 H new ATOM 0 HD2 PHE A 62 -21.742 -35.396 -14.374 1.00 34.10 H new ATOM 0 HE1 PHE A 62 -20.136 -31.664 -17.147 1.00 74.24 H new ATOM 0 HE2 PHE A 62 -23.353 -33.957 -15.544 1.00 71.32 H new ATOM 0 HZ PHE A 62 -22.554 -32.086 -16.930 1.00 43.24 H new ATOM 1014 N ASP A 63 -19.361 -35.598 -11.086 1.00 1.54 N ATOM 1015 CA ASP A 63 -20.288 -35.743 -9.970 1.00 34.42 C ATOM 1016 C ASP A 63 -19.677 -35.203 -8.681 1.00 13.41 C ATOM 1017 O ASP A 63 -18.628 -34.559 -8.702 1.00 31.21 O ATOM 1018 CB ASP A 63 -20.675 -37.212 -9.789 1.00 23.23 C ATOM 1019 CG ASP A 63 -21.164 -37.845 -11.077 1.00 25.35 C ATOM 1020 OD1 ASP A 63 -22.230 -37.428 -11.576 1.00 44.10 O ATOM 1021 OD2 ASP A 63 -20.480 -38.758 -11.585 1.00 44.45 O ATOM 0 H ASP A 63 -18.607 -36.285 -11.100 1.00 1.54 H new ATOM 0 HA ASP A 63 -21.183 -35.164 -10.196 1.00 34.42 H new ATOM 0 HB2 ASP A 63 -19.814 -37.768 -9.418 1.00 23.23 H new ATOM 0 HB3 ASP A 63 -21.455 -37.289 -9.031 1.00 23.23 H new ATOM 1026 N SER A 64 -20.342 -35.467 -7.560 1.00 65.54 N ATOM 1027 CA SER A 64 -19.866 -35.003 -6.262 1.00 75.23 C ATOM 1028 C SER A 64 -19.062 -36.091 -5.557 1.00 73.32 C ATOM 1029 O SER A 64 -19.215 -37.278 -5.848 1.00 2.04 O ATOM 1030 CB SER A 64 -21.046 -34.577 -5.387 1.00 12.35 C ATOM 1031 OG SER A 64 -21.786 -33.535 -6.000 1.00 30.14 O ATOM 0 H SER A 64 -21.211 -35.999 -7.525 1.00 65.54 H new ATOM 0 HA SER A 64 -19.215 -34.144 -6.426 1.00 75.23 H new ATOM 0 HB2 SER A 64 -21.697 -35.433 -5.207 1.00 12.35 H new ATOM 0 HB3 SER A 64 -20.681 -34.245 -4.415 1.00 12.35 H new ATOM 0 HG SER A 64 -22.536 -33.282 -5.422 1.00 30.14 H new ATOM 1037 N ASP A 65 -18.206 -35.678 -4.630 1.00 0.23 N ATOM 1038 CA ASP A 65 -17.378 -36.616 -3.881 1.00 65.13 C ATOM 1039 C ASP A 65 -17.639 -36.496 -2.383 1.00 62.31 C ATOM 1040 O ASP A 65 -16.809 -35.976 -1.636 1.00 72.03 O ATOM 1041 CB ASP A 65 -15.897 -36.369 -4.175 1.00 10.32 C ATOM 1042 CG ASP A 65 -15.574 -34.895 -4.322 1.00 14.30 C ATOM 1043 OD1 ASP A 65 -15.706 -34.156 -3.324 1.00 31.43 O ATOM 1044 OD2 ASP A 65 -15.191 -34.479 -5.436 1.00 31.12 O ATOM 0 H ASP A 65 -18.067 -34.699 -4.379 1.00 0.23 H new ATOM 0 HA ASP A 65 -17.640 -37.626 -4.197 1.00 65.13 H new ATOM 0 HB2 ASP A 65 -15.295 -36.792 -3.371 1.00 10.32 H new ATOM 0 HB3 ASP A 65 -15.619 -36.892 -5.090 1.00 10.32 H new ATOM 1049 N THR A 66 -18.798 -36.981 -1.949 1.00 54.41 N ATOM 1050 CA THR A 66 -19.170 -36.926 -0.541 1.00 55.00 C ATOM 1051 C THR A 66 -18.808 -35.578 0.071 1.00 14.25 C ATOM 1052 O THR A 66 -18.473 -35.492 1.252 1.00 40.01 O ATOM 1053 CB THR A 66 -18.484 -38.044 0.265 1.00 23.43 C ATOM 1054 OG1 THR A 66 -19.005 -38.078 1.599 1.00 44.33 O ATOM 1055 CG2 THR A 66 -16.978 -37.834 0.309 1.00 42.42 C ATOM 0 H THR A 66 -19.495 -37.416 -2.553 1.00 54.41 H new ATOM 0 HA THR A 66 -20.250 -37.065 -0.494 1.00 55.00 H new ATOM 0 HB THR A 66 -18.688 -38.994 -0.229 1.00 23.43 H new ATOM 0 HG1 THR A 66 -19.023 -37.170 1.966 1.00 44.33 H new ATOM 0 HG21 THR A 66 -16.515 -38.636 0.884 1.00 42.42 H new ATOM 0 HG22 THR A 66 -16.580 -37.839 -0.706 1.00 42.42 H new ATOM 0 HG23 THR A 66 -16.758 -36.876 0.781 1.00 42.42 H new ATOM 1063 N ASN A 67 -18.879 -34.527 -0.739 1.00 12.31 N ATOM 1064 CA ASN A 67 -18.559 -33.182 -0.276 1.00 4.54 C ATOM 1065 C ASN A 67 -17.263 -33.178 0.529 1.00 5.22 C ATOM 1066 O ASN A 67 -17.158 -32.506 1.555 1.00 12.34 O ATOM 1067 CB ASN A 67 -19.702 -32.627 0.576 1.00 54.22 C ATOM 1068 CG ASN A 67 -20.844 -32.093 -0.267 1.00 54.12 C ATOM 1069 OD1 ASN A 67 -21.634 -32.859 -0.820 1.00 23.22 O ATOM 1070 ND2 ASN A 67 -20.937 -30.772 -0.370 1.00 22.24 N ATOM 0 H ASN A 67 -19.155 -34.581 -1.719 1.00 12.31 H new ATOM 0 HA ASN A 67 -18.425 -32.546 -1.151 1.00 4.54 H new ATOM 0 HB2 ASN A 67 -20.076 -33.412 1.234 1.00 54.22 H new ATOM 0 HB3 ASN A 67 -19.322 -31.830 1.215 1.00 54.22 H new ATOM 0 HD21 ASN A 67 -21.685 -30.355 -0.924 1.00 22.24 H new ATOM 0 HD22 ASN A 67 -20.260 -30.175 0.105 1.00 22.24 H new ATOM 1077 N VAL A 68 -16.276 -33.933 0.056 1.00 52.11 N ATOM 1078 CA VAL A 68 -14.986 -34.016 0.730 1.00 41.22 C ATOM 1079 C VAL A 68 -14.428 -32.627 1.022 1.00 72.33 C ATOM 1080 O VAL A 68 -13.718 -32.427 2.008 1.00 74.22 O ATOM 1081 CB VAL A 68 -13.963 -34.802 -0.112 1.00 3.44 C ATOM 1082 CG1 VAL A 68 -12.544 -34.472 0.328 1.00 73.11 C ATOM 1083 CG2 VAL A 68 -14.227 -36.296 -0.012 1.00 30.35 C ATOM 0 H VAL A 68 -16.346 -34.496 -0.792 1.00 52.11 H new ATOM 0 HA VAL A 68 -15.153 -34.542 1.670 1.00 41.22 H new ATOM 0 HB VAL A 68 -14.073 -34.506 -1.155 1.00 3.44 H new ATOM 0 HG11 VAL A 68 -11.835 -35.036 -0.278 1.00 73.11 H new ATOM 0 HG12 VAL A 68 -12.362 -33.405 0.200 1.00 73.11 H new ATOM 0 HG13 VAL A 68 -12.417 -34.738 1.377 1.00 73.11 H new ATOM 0 HG21 VAL A 68 -13.495 -36.836 -0.613 1.00 30.35 H new ATOM 0 HG22 VAL A 68 -14.146 -36.611 1.028 1.00 30.35 H new ATOM 0 HG23 VAL A 68 -15.230 -36.514 -0.380 1.00 30.35 H new ATOM 1093 N ILE A 69 -14.754 -31.671 0.158 1.00 34.35 N ATOM 1094 CA ILE A 69 -14.287 -30.301 0.325 1.00 52.42 C ATOM 1095 C ILE A 69 -15.014 -29.608 1.472 1.00 10.52 C ATOM 1096 O ILE A 69 -14.388 -29.134 2.421 1.00 54.42 O ATOM 1097 CB ILE A 69 -14.483 -29.479 -0.963 1.00 11.10 C ATOM 1098 CG1 ILE A 69 -13.713 -30.115 -2.122 1.00 75.41 C ATOM 1099 CG2 ILE A 69 -14.034 -28.041 -0.748 1.00 22.54 C ATOM 1100 CD1 ILE A 69 -12.233 -30.267 -1.853 1.00 44.02 C ATOM 0 H ILE A 69 -15.339 -31.820 -0.664 1.00 34.35 H new ATOM 0 HA ILE A 69 -13.223 -30.356 0.553 1.00 52.42 H new ATOM 0 HB ILE A 69 -15.543 -29.474 -1.215 1.00 11.10 H new ATOM 0 HG12 ILE A 69 -14.138 -31.096 -2.335 1.00 75.41 H new ATOM 0 HG13 ILE A 69 -13.851 -29.507 -3.016 1.00 75.41 H new ATOM 0 HG21 ILE A 69 -14.179 -27.473 -1.667 1.00 22.54 H new ATOM 0 HG22 ILE A 69 -14.622 -27.592 0.052 1.00 22.54 H new ATOM 0 HG23 ILE A 69 -12.979 -28.026 -0.475 1.00 22.54 H new ATOM 0 HD11 ILE A 69 -11.751 -30.725 -2.717 1.00 44.02 H new ATOM 0 HD12 ILE A 69 -11.794 -29.286 -1.670 1.00 44.02 H new ATOM 0 HD13 ILE A 69 -12.085 -30.900 -0.978 1.00 44.02 H new ATOM 1112 N ASP A 70 -16.338 -29.554 1.380 1.00 51.32 N ATOM 1113 CA ASP A 70 -17.152 -28.921 2.412 1.00 64.23 C ATOM 1114 C ASP A 70 -16.939 -29.598 3.762 1.00 2.12 C ATOM 1115 O ASP A 70 -17.015 -28.955 4.809 1.00 32.24 O ATOM 1116 CB ASP A 70 -18.631 -28.974 2.028 1.00 13.14 C ATOM 1117 CG ASP A 70 -19.546 -28.811 3.226 1.00 21.35 C ATOM 1118 OD1 ASP A 70 -19.271 -27.930 4.068 1.00 61.10 O ATOM 1119 OD2 ASP A 70 -20.537 -29.564 3.322 1.00 31.52 O ATOM 0 H ASP A 70 -16.871 -29.941 0.601 1.00 51.32 H new ATOM 0 HA ASP A 70 -16.844 -27.879 2.496 1.00 64.23 H new ATOM 0 HB2 ASP A 70 -18.843 -28.189 1.303 1.00 13.14 H new ATOM 0 HB3 ASP A 70 -18.843 -29.925 1.539 1.00 13.14 H new ATOM 1124 N VAL A 71 -16.672 -30.900 3.731 1.00 54.14 N ATOM 1125 CA VAL A 71 -16.449 -31.664 4.952 1.00 65.31 C ATOM 1126 C VAL A 71 -15.063 -31.389 5.526 1.00 33.41 C ATOM 1127 O VAL A 71 -14.869 -31.410 6.741 1.00 3.40 O ATOM 1128 CB VAL A 71 -16.598 -33.177 4.703 1.00 50.14 C ATOM 1129 CG1 VAL A 71 -16.331 -33.958 5.980 1.00 13.34 C ATOM 1130 CG2 VAL A 71 -17.982 -33.492 4.155 1.00 43.15 C ATOM 0 H VAL A 71 -16.605 -31.447 2.873 1.00 54.14 H new ATOM 0 HA VAL A 71 -17.206 -31.345 5.668 1.00 65.31 H new ATOM 0 HB VAL A 71 -15.860 -33.480 3.960 1.00 50.14 H new ATOM 0 HG11 VAL A 71 -16.441 -35.025 5.784 1.00 13.34 H new ATOM 0 HG12 VAL A 71 -15.317 -33.755 6.325 1.00 13.34 H new ATOM 0 HG13 VAL A 71 -17.043 -33.655 6.748 1.00 13.34 H new ATOM 0 HG21 VAL A 71 -18.070 -34.565 3.985 1.00 43.15 H new ATOM 0 HG22 VAL A 71 -18.738 -33.175 4.873 1.00 43.15 H new ATOM 0 HG23 VAL A 71 -18.130 -32.962 3.214 1.00 43.15 H new ATOM 1140 N ALA A 72 -14.103 -31.132 4.644 1.00 74.13 N ATOM 1141 CA ALA A 72 -12.736 -30.850 5.063 1.00 71.32 C ATOM 1142 C ALA A 72 -12.650 -29.515 5.794 1.00 50.23 C ATOM 1143 O ALA A 72 -11.911 -29.376 6.769 1.00 54.43 O ATOM 1144 CB ALA A 72 -11.804 -30.857 3.861 1.00 65.35 C ATOM 0 H ALA A 72 -14.247 -31.113 3.634 1.00 74.13 H new ATOM 0 HA ALA A 72 -12.425 -31.633 5.754 1.00 71.32 H new ATOM 0 HB1 ALA A 72 -10.786 -30.645 4.189 1.00 65.35 H new ATOM 0 HB2 ALA A 72 -11.835 -31.836 3.382 1.00 65.35 H new ATOM 0 HB3 ALA A 72 -12.122 -30.095 3.149 1.00 65.35 H new ATOM 1150 N VAL A 73 -13.409 -28.534 5.316 1.00 54.11 N ATOM 1151 CA VAL A 73 -13.419 -27.209 5.924 1.00 11.04 C ATOM 1152 C VAL A 73 -14.246 -27.199 7.205 1.00 4.44 C ATOM 1153 O VAL A 73 -13.908 -26.509 8.168 1.00 33.42 O ATOM 1154 CB VAL A 73 -13.980 -26.151 4.956 1.00 51.30 C ATOM 1155 CG1 VAL A 73 -15.400 -26.506 4.541 1.00 44.24 C ATOM 1156 CG2 VAL A 73 -13.931 -24.769 5.591 1.00 73.22 C ATOM 0 H VAL A 73 -14.025 -28.632 4.509 1.00 54.11 H new ATOM 0 HA VAL A 73 -12.384 -26.961 6.160 1.00 11.04 H new ATOM 0 HB VAL A 73 -13.358 -26.137 4.061 1.00 51.30 H new ATOM 0 HG11 VAL A 73 -15.780 -25.747 3.857 1.00 44.24 H new ATOM 0 HG12 VAL A 73 -15.402 -27.476 4.044 1.00 44.24 H new ATOM 0 HG13 VAL A 73 -16.037 -26.550 5.424 1.00 44.24 H new ATOM 0 HG21 VAL A 73 -14.331 -24.034 4.893 1.00 73.22 H new ATOM 0 HG22 VAL A 73 -14.528 -24.766 6.503 1.00 73.22 H new ATOM 0 HG23 VAL A 73 -12.899 -24.516 5.832 1.00 73.22 H new ATOM 1166 N ARG A 74 -15.329 -27.968 7.210 1.00 14.40 N ATOM 1167 CA ARG A 74 -16.205 -28.047 8.373 1.00 52.41 C ATOM 1168 C ARG A 74 -15.570 -28.889 9.476 1.00 52.15 C ATOM 1169 O ARG A 74 -15.690 -28.572 10.659 1.00 32.22 O ATOM 1170 CB ARG A 74 -17.559 -28.640 7.979 1.00 51.00 C ATOM 1171 CG ARG A 74 -18.424 -27.694 7.161 1.00 23.52 C ATOM 1172 CD ARG A 74 -19.064 -26.628 8.036 1.00 42.22 C ATOM 1173 NE ARG A 74 -20.109 -25.894 7.327 1.00 2.33 N ATOM 1174 CZ ARG A 74 -21.337 -26.362 7.139 1.00 35.31 C ATOM 1175 NH1 ARG A 74 -21.673 -27.557 7.605 1.00 74.31 N ATOM 1176 NH2 ARG A 74 -22.233 -25.635 6.484 1.00 13.32 N ATOM 0 H ARG A 74 -15.621 -28.546 6.422 1.00 14.40 H new ATOM 0 HA ARG A 74 -16.355 -27.036 8.752 1.00 52.41 H new ATOM 0 HB2 ARG A 74 -17.394 -29.553 7.407 1.00 51.00 H new ATOM 0 HB3 ARG A 74 -18.099 -28.923 8.883 1.00 51.00 H new ATOM 0 HG2 ARG A 74 -17.817 -27.218 6.391 1.00 23.52 H new ATOM 0 HG3 ARG A 74 -19.201 -28.261 6.649 1.00 23.52 H new ATOM 0 HD2 ARG A 74 -19.488 -27.095 8.925 1.00 42.22 H new ATOM 0 HD3 ARG A 74 -18.299 -25.931 8.377 1.00 42.22 H new ATOM 0 HE ARG A 74 -19.883 -24.971 6.956 1.00 2.33 H new ATOM 0 HH11 ARG A 74 -20.987 -28.119 8.109 1.00 74.31 H new ATOM 0 HH12 ARG A 74 -22.617 -27.914 7.459 1.00 74.31 H new ATOM 0 HH21 ARG A 74 -21.979 -24.715 6.124 1.00 13.32 H new ATOM 0 HH22 ARG A 74 -23.176 -25.996 6.340 1.00 13.32 H new ATOM 1190 N ARG A 75 -14.895 -29.963 9.078 1.00 12.44 N ATOM 1191 CA ARG A 75 -14.243 -30.851 10.033 1.00 70.24 C ATOM 1192 C ARG A 75 -13.043 -30.167 10.681 1.00 50.35 C ATOM 1193 O ARG A 75 -12.806 -30.311 11.881 1.00 42.53 O ATOM 1194 CB ARG A 75 -13.796 -32.139 9.339 1.00 22.31 C ATOM 1195 CG ARG A 75 -12.584 -31.958 8.440 1.00 3.21 C ATOM 1196 CD ARG A 75 -12.210 -33.255 7.740 1.00 20.02 C ATOM 1197 NE ARG A 75 -11.859 -34.308 8.690 1.00 54.14 N ATOM 1198 CZ ARG A 75 -11.353 -35.482 8.331 1.00 65.13 C ATOM 1199 NH1 ARG A 75 -11.138 -35.752 7.050 1.00 2.25 N ATOM 1200 NH2 ARG A 75 -11.059 -36.389 9.253 1.00 21.35 N ATOM 0 H ARG A 75 -14.786 -30.239 8.102 1.00 12.44 H new ATOM 0 HA ARG A 75 -14.963 -31.097 10.813 1.00 70.24 H new ATOM 0 HB2 ARG A 75 -13.567 -32.889 10.096 1.00 22.31 H new ATOM 0 HB3 ARG A 75 -14.623 -32.528 8.745 1.00 22.31 H new ATOM 0 HG2 ARG A 75 -12.793 -31.189 7.696 1.00 3.21 H new ATOM 0 HG3 ARG A 75 -11.739 -31.607 9.033 1.00 3.21 H new ATOM 0 HD2 ARG A 75 -13.044 -33.587 7.122 1.00 20.02 H new ATOM 0 HD3 ARG A 75 -11.369 -33.076 7.070 1.00 20.02 H new ATOM 0 HE ARG A 75 -12.011 -34.132 9.683 1.00 54.14 H new ATOM 0 HH11 ARG A 75 -11.361 -35.057 6.338 1.00 2.25 H new ATOM 0 HH12 ARG A 75 -10.749 -36.655 6.777 1.00 2.25 H new ATOM 0 HH21 ARG A 75 -11.222 -36.185 10.239 1.00 21.35 H new ATOM 0 HH22 ARG A 75 -10.670 -37.290 8.976 1.00 21.35 H new ATOM 1214 N LEU A 76 -12.289 -29.423 9.879 1.00 52.51 N ATOM 1215 CA LEU A 76 -11.113 -28.716 10.374 1.00 42.45 C ATOM 1216 C LEU A 76 -11.516 -27.518 11.228 1.00 34.53 C ATOM 1217 O LEU A 76 -10.850 -27.192 12.211 1.00 52.13 O ATOM 1218 CB LEU A 76 -10.243 -28.251 9.204 1.00 71.51 C ATOM 1219 CG LEU A 76 -10.553 -26.861 8.647 1.00 22.34 C ATOM 1220 CD1 LEU A 76 -9.880 -25.788 9.489 1.00 54.42 C ATOM 1221 CD2 LEU A 76 -10.111 -26.758 7.195 1.00 50.31 C ATOM 0 H LEU A 76 -12.471 -29.294 8.884 1.00 52.51 H new ATOM 0 HA LEU A 76 -10.541 -29.406 10.994 1.00 42.45 H new ATOM 0 HB2 LEU A 76 -9.201 -28.268 9.523 1.00 71.51 H new ATOM 0 HB3 LEU A 76 -10.341 -28.975 8.395 1.00 71.51 H new ATOM 0 HG LEU A 76 -11.631 -26.705 8.689 1.00 22.34 H new ATOM 0 HD11 LEU A 76 -10.111 -24.805 9.078 1.00 54.42 H new ATOM 0 HD12 LEU A 76 -10.245 -25.848 10.514 1.00 54.42 H new ATOM 0 HD13 LEU A 76 -8.801 -25.941 9.479 1.00 54.42 H new ATOM 0 HD21 LEU A 76 -10.339 -25.762 6.815 1.00 50.31 H new ATOM 0 HD22 LEU A 76 -9.037 -26.935 7.128 1.00 50.31 H new ATOM 0 HD23 LEU A 76 -10.639 -27.503 6.600 1.00 50.31 H new ATOM 1233 N ARG A 77 -12.612 -26.870 10.849 1.00 53.53 N ATOM 1234 CA ARG A 77 -13.105 -25.709 11.581 1.00 34.30 C ATOM 1235 C ARG A 77 -13.504 -26.093 13.003 1.00 21.01 C ATOM 1236 O ARG A 77 -13.133 -25.421 13.965 1.00 12.52 O ATOM 1237 CB ARG A 77 -14.301 -25.091 10.854 1.00 31.11 C ATOM 1238 CG ARG A 77 -14.745 -23.759 11.436 1.00 52.13 C ATOM 1239 CD ARG A 77 -15.834 -23.943 12.482 1.00 43.34 C ATOM 1240 NE ARG A 77 -17.171 -23.867 11.899 1.00 22.11 N ATOM 1241 CZ ARG A 77 -18.278 -23.715 12.617 1.00 22.34 C ATOM 1242 NH1 ARG A 77 -18.208 -23.623 13.938 1.00 4.12 N ATOM 1243 NH2 ARG A 77 -19.458 -23.655 12.015 1.00 53.05 N ATOM 0 H ARG A 77 -13.176 -27.129 10.039 1.00 53.53 H new ATOM 0 HA ARG A 77 -12.301 -24.975 11.633 1.00 34.30 H new ATOM 0 HB2 ARG A 77 -14.045 -24.952 9.804 1.00 31.11 H new ATOM 0 HB3 ARG A 77 -15.137 -25.790 10.888 1.00 31.11 H new ATOM 0 HG2 ARG A 77 -13.890 -23.254 11.885 1.00 52.13 H new ATOM 0 HG3 ARG A 77 -15.112 -23.116 10.636 1.00 52.13 H new ATOM 0 HD2 ARG A 77 -15.707 -24.908 12.972 1.00 43.34 H new ATOM 0 HD3 ARG A 77 -15.730 -23.178 13.252 1.00 43.34 H new ATOM 0 HE ARG A 77 -17.259 -23.934 10.885 1.00 22.11 H new ATOM 0 HH11 ARG A 77 -17.302 -23.669 14.405 1.00 4.12 H new ATOM 0 HH12 ARG A 77 -19.060 -23.506 14.487 1.00 4.12 H new ATOM 0 HH21 ARG A 77 -19.516 -23.726 10.999 1.00 53.05 H new ATOM 0 HH22 ARG A 77 -20.307 -23.538 12.568 1.00 53.05 H new ATOM 1257 N SER A 78 -14.262 -27.178 13.127 1.00 4.05 N ATOM 1258 CA SER A 78 -14.714 -27.649 14.431 1.00 13.12 C ATOM 1259 C SER A 78 -13.618 -28.447 15.131 1.00 75.31 C ATOM 1260 O SER A 78 -13.806 -28.939 16.244 1.00 73.32 O ATOM 1261 CB SER A 78 -15.970 -28.510 14.278 1.00 3.34 C ATOM 1262 OG SER A 78 -16.490 -28.881 15.543 1.00 75.00 O ATOM 0 H SER A 78 -14.576 -27.747 12.341 1.00 4.05 H new ATOM 0 HA SER A 78 -14.951 -26.778 15.042 1.00 13.12 H new ATOM 0 HB2 SER A 78 -16.726 -27.960 13.717 1.00 3.34 H new ATOM 0 HB3 SER A 78 -15.734 -29.404 13.702 1.00 3.34 H new ATOM 0 HG SER A 78 -15.751 -29.049 16.164 1.00 75.00 H new ATOM 1268 N LYS A 79 -12.473 -28.572 14.470 1.00 5.11 N ATOM 1269 CA LYS A 79 -11.344 -29.309 15.026 1.00 11.15 C ATOM 1270 C LYS A 79 -10.527 -28.426 15.965 1.00 72.24 C ATOM 1271 O LYS A 79 -9.917 -28.914 16.916 1.00 31.25 O ATOM 1272 CB LYS A 79 -10.452 -29.840 13.903 1.00 65.23 C ATOM 1273 CG LYS A 79 -10.541 -31.345 13.714 1.00 15.33 C ATOM 1274 CD LYS A 79 -9.757 -32.088 14.783 1.00 75.45 C ATOM 1275 CE LYS A 79 -8.294 -32.240 14.396 1.00 12.20 C ATOM 1276 NZ LYS A 79 -8.126 -33.086 13.182 1.00 21.13 N ATOM 0 H LYS A 79 -12.302 -28.172 13.547 1.00 5.11 H new ATOM 0 HA LYS A 79 -11.737 -30.150 15.597 1.00 11.15 H new ATOM 0 HB2 LYS A 79 -10.726 -29.348 12.970 1.00 65.23 H new ATOM 0 HB3 LYS A 79 -9.417 -29.569 14.114 1.00 65.23 H new ATOM 0 HG2 LYS A 79 -11.585 -31.656 13.745 1.00 15.33 H new ATOM 0 HG3 LYS A 79 -10.158 -31.612 12.729 1.00 15.33 H new ATOM 0 HD2 LYS A 79 -9.830 -31.551 15.729 1.00 75.45 H new ATOM 0 HD3 LYS A 79 -10.197 -33.073 14.940 1.00 75.45 H new ATOM 0 HE2 LYS A 79 -7.862 -31.256 14.215 1.00 12.20 H new ATOM 0 HE3 LYS A 79 -7.743 -32.682 15.226 1.00 12.20 H new ATOM 0 HZ1 LYS A 79 -7.515 -33.898 13.406 1.00 21.13 H new ATOM 0 HZ2 LYS A 79 -9.056 -33.429 12.866 1.00 21.13 H new ATOM 0 HZ3 LYS A 79 -7.689 -32.523 12.424 1.00 21.13 H new ATOM 1290 N ILE A 80 -10.521 -27.126 15.691 1.00 71.14 N ATOM 1291 CA ILE A 80 -9.781 -26.176 16.512 1.00 33.22 C ATOM 1292 C ILE A 80 -10.463 -24.812 16.525 1.00 73.42 C ATOM 1293 O ILE A 80 -10.575 -24.172 17.571 1.00 65.25 O ATOM 1294 CB ILE A 80 -8.334 -26.009 16.014 1.00 64.10 C ATOM 1295 CG1 ILE A 80 -7.610 -24.937 16.832 1.00 73.03 C ATOM 1296 CG2 ILE A 80 -8.320 -25.653 14.535 1.00 72.52 C ATOM 1297 CD1 ILE A 80 -7.550 -25.244 18.312 1.00 71.13 C ATOM 0 H ILE A 80 -11.020 -26.707 14.907 1.00 71.14 H new ATOM 0 HA ILE A 80 -9.764 -26.581 17.524 1.00 33.22 H new ATOM 0 HB ILE A 80 -7.809 -26.955 16.145 1.00 64.10 H new ATOM 0 HG12 ILE A 80 -6.595 -24.825 16.451 1.00 73.03 H new ATOM 0 HG13 ILE A 80 -8.112 -23.980 16.688 1.00 73.03 H new ATOM 0 HG21 ILE A 80 -7.290 -25.538 14.198 1.00 72.52 H new ATOM 0 HG22 ILE A 80 -8.802 -26.447 13.965 1.00 72.52 H new ATOM 0 HG23 ILE A 80 -8.858 -24.718 14.381 1.00 72.52 H new ATOM 0 HD11 ILE A 80 -7.023 -24.442 18.829 1.00 71.13 H new ATOM 0 HD12 ILE A 80 -8.562 -25.327 18.708 1.00 71.13 H new ATOM 0 HD13 ILE A 80 -7.021 -26.184 18.467 1.00 71.13 H new ATOM 1309 N ASP A 81 -10.920 -24.375 15.357 1.00 43.44 N ATOM 1310 CA ASP A 81 -11.594 -23.088 15.233 1.00 12.50 C ATOM 1311 C ASP A 81 -12.881 -23.067 16.053 1.00 63.33 C ATOM 1312 O ASP A 81 -13.424 -22.003 16.348 1.00 43.52 O ATOM 1313 CB ASP A 81 -11.905 -22.789 13.765 1.00 31.45 C ATOM 1314 CG ASP A 81 -11.206 -21.539 13.268 1.00 72.51 C ATOM 1315 OD1 ASP A 81 -9.960 -21.486 13.342 1.00 34.41 O ATOM 1316 OD2 ASP A 81 -11.905 -20.615 12.804 1.00 42.44 O ATOM 0 H ASP A 81 -10.836 -24.893 14.482 1.00 43.44 H new ATOM 0 HA ASP A 81 -10.926 -22.318 15.618 1.00 12.50 H new ATOM 0 HB2 ASP A 81 -11.603 -23.638 13.152 1.00 31.45 H new ATOM 0 HB3 ASP A 81 -12.982 -22.673 13.641 1.00 31.45 H new ATOM 1321 N ASP A 82 -13.363 -24.250 16.416 1.00 31.51 N ATOM 1322 CA ASP A 82 -14.586 -24.369 17.202 1.00 60.04 C ATOM 1323 C ASP A 82 -14.541 -23.451 18.419 1.00 23.34 C ATOM 1324 O ASP A 82 -15.505 -22.745 18.713 1.00 52.22 O ATOM 1325 CB ASP A 82 -14.793 -25.818 17.647 1.00 52.44 C ATOM 1326 CG ASP A 82 -16.259 -26.173 17.797 1.00 54.11 C ATOM 1327 OD1 ASP A 82 -17.112 -25.324 17.463 1.00 73.41 O ATOM 1328 OD2 ASP A 82 -16.554 -27.299 18.249 1.00 21.25 O ATOM 0 H ASP A 82 -12.926 -25.141 16.179 1.00 31.51 H new ATOM 0 HA ASP A 82 -15.424 -24.068 16.573 1.00 60.04 H new ATOM 0 HB2 ASP A 82 -14.332 -26.488 16.921 1.00 52.44 H new ATOM 0 HB3 ASP A 82 -14.284 -25.980 18.597 1.00 52.44 H new ATOM 1333 N ASP A 83 -13.415 -23.468 19.125 1.00 72.22 N ATOM 1334 CA ASP A 83 -13.244 -22.638 20.311 1.00 1.32 C ATOM 1335 C ASP A 83 -11.993 -21.773 20.193 1.00 41.30 C ATOM 1336 O ASP A 83 -11.241 -21.615 21.155 1.00 32.12 O ATOM 1337 CB ASP A 83 -13.158 -23.511 21.564 1.00 73.44 C ATOM 1338 CG ASP A 83 -14.502 -23.682 22.244 1.00 55.42 C ATOM 1339 OD1 ASP A 83 -15.380 -24.354 21.663 1.00 22.12 O ATOM 1340 OD2 ASP A 83 -14.677 -23.141 23.356 1.00 35.43 O ATOM 0 H ASP A 83 -12.608 -24.048 18.896 1.00 72.22 H new ATOM 0 HA ASP A 83 -14.111 -21.983 20.393 1.00 1.32 H new ATOM 0 HB2 ASP A 83 -12.763 -24.491 21.294 1.00 73.44 H new ATOM 0 HB3 ASP A 83 -12.453 -23.066 22.266 1.00 73.44 H new ATOM 1345 N PHE A 84 -11.775 -21.215 19.007 1.00 53.05 N ATOM 1346 CA PHE A 84 -10.614 -20.367 18.762 1.00 72.55 C ATOM 1347 C PHE A 84 -10.990 -19.167 17.898 1.00 43.21 C ATOM 1348 O PHE A 84 -10.547 -18.047 18.149 1.00 42.41 O ATOM 1349 CB PHE A 84 -9.504 -21.171 18.082 1.00 62.40 C ATOM 1350 CG PHE A 84 -8.511 -21.756 19.046 1.00 72.12 C ATOM 1351 CD1 PHE A 84 -8.886 -22.763 19.921 1.00 41.11 C ATOM 1352 CD2 PHE A 84 -7.204 -21.299 19.076 1.00 25.33 C ATOM 1353 CE1 PHE A 84 -7.975 -23.302 20.809 1.00 4.03 C ATOM 1354 CE2 PHE A 84 -6.288 -21.835 19.962 1.00 3.13 C ATOM 1355 CZ PHE A 84 -6.674 -22.838 20.829 1.00 23.32 C ATOM 0 H PHE A 84 -12.387 -21.335 18.200 1.00 53.05 H new ATOM 0 HA PHE A 84 -10.252 -20.002 19.723 1.00 72.55 H new ATOM 0 HB2 PHE A 84 -9.953 -21.977 17.502 1.00 62.40 H new ATOM 0 HB3 PHE A 84 -8.978 -20.526 17.378 1.00 62.40 H new ATOM 0 HD1 PHE A 84 -9.901 -23.131 19.909 1.00 41.11 H new ATOM 0 HD2 PHE A 84 -6.897 -20.515 18.400 1.00 25.33 H new ATOM 0 HE1 PHE A 84 -8.280 -24.085 21.487 1.00 4.03 H new ATOM 0 HE2 PHE A 84 -5.272 -21.470 19.976 1.00 3.13 H new ATOM 0 HZ PHE A 84 -5.960 -23.259 21.521 1.00 23.32 H new ATOM 1365 N GLU A 85 -11.809 -19.411 16.880 1.00 42.23 N ATOM 1366 CA GLU A 85 -12.243 -18.350 15.978 1.00 24.01 C ATOM 1367 C GLU A 85 -13.693 -18.558 15.552 1.00 50.33 C ATOM 1368 O GLU A 85 -14.246 -19.653 15.654 1.00 21.00 O ATOM 1369 CB GLU A 85 -11.339 -18.298 14.744 1.00 12.22 C ATOM 1370 CG GLU A 85 -10.129 -17.395 14.914 1.00 63.41 C ATOM 1371 CD GLU A 85 -9.650 -16.808 13.600 1.00 21.43 C ATOM 1372 OE1 GLU A 85 -10.232 -17.153 12.550 1.00 2.12 O ATOM 1373 OE2 GLU A 85 -8.694 -16.005 13.622 1.00 61.41 O ATOM 0 H GLU A 85 -12.185 -20.333 16.659 1.00 42.23 H new ATOM 0 HA GLU A 85 -12.172 -17.402 16.512 1.00 24.01 H new ATOM 0 HB2 GLU A 85 -10.999 -19.307 14.510 1.00 12.22 H new ATOM 0 HB3 GLU A 85 -11.923 -17.953 13.891 1.00 12.22 H new ATOM 0 HG2 GLU A 85 -10.378 -16.585 15.600 1.00 63.41 H new ATOM 0 HG3 GLU A 85 -9.318 -17.962 15.371 1.00 63.41 H new ATOM 1380 N PRO A 86 -14.325 -17.481 15.062 1.00 13.11 N ATOM 1381 CA PRO A 86 -15.719 -17.519 14.610 1.00 14.13 C ATOM 1382 C PRO A 86 -15.891 -18.325 13.327 1.00 11.31 C ATOM 1383 O PRO A 86 -14.971 -19.013 12.886 1.00 44.02 O ATOM 1384 CB PRO A 86 -16.053 -16.045 14.365 1.00 60.20 C ATOM 1385 CG PRO A 86 -14.740 -15.401 14.083 1.00 64.45 C ATOM 1386 CD PRO A 86 -13.728 -16.143 14.911 1.00 21.54 C ATOM 0 HA PRO A 86 -16.370 -18.002 15.338 1.00 14.13 H new ATOM 0 HB2 PRO A 86 -16.739 -15.929 13.526 1.00 60.20 H new ATOM 0 HB3 PRO A 86 -16.534 -15.598 15.235 1.00 60.20 H new ATOM 0 HG2 PRO A 86 -14.496 -15.461 13.022 1.00 64.45 H new ATOM 0 HG3 PRO A 86 -14.760 -14.343 14.346 1.00 64.45 H new ATOM 0 HD2 PRO A 86 -12.759 -16.189 14.414 1.00 21.54 H new ATOM 0 HD3 PRO A 86 -13.569 -15.663 15.876 1.00 21.54 H new ATOM 1394 N LYS A 87 -17.075 -18.235 12.731 1.00 14.55 N ATOM 1395 CA LYS A 87 -17.368 -18.954 11.497 1.00 13.53 C ATOM 1396 C LYS A 87 -17.180 -18.050 10.283 1.00 14.52 C ATOM 1397 O LYS A 87 -17.890 -17.056 10.120 1.00 33.12 O ATOM 1398 CB LYS A 87 -18.799 -19.496 11.526 1.00 11.21 C ATOM 1399 CG LYS A 87 -19.832 -18.464 11.945 1.00 32.35 C ATOM 1400 CD LYS A 87 -21.243 -19.021 11.857 1.00 14.33 C ATOM 1401 CE LYS A 87 -21.764 -18.995 10.429 1.00 54.15 C ATOM 1402 NZ LYS A 87 -23.249 -18.894 10.381 1.00 34.04 N ATOM 0 H LYS A 87 -17.848 -17.670 13.083 1.00 14.55 H new ATOM 0 HA LYS A 87 -16.671 -19.789 11.418 1.00 13.53 H new ATOM 0 HB2 LYS A 87 -19.056 -19.874 10.536 1.00 11.21 H new ATOM 0 HB3 LYS A 87 -18.844 -20.342 12.212 1.00 11.21 H new ATOM 0 HG2 LYS A 87 -19.631 -18.140 12.966 1.00 32.35 H new ATOM 0 HG3 LYS A 87 -19.747 -17.583 11.308 1.00 32.35 H new ATOM 0 HD2 LYS A 87 -21.255 -20.045 12.231 1.00 14.33 H new ATOM 0 HD3 LYS A 87 -21.906 -18.439 12.498 1.00 14.33 H new ATOM 0 HE2 LYS A 87 -21.325 -18.150 9.898 1.00 54.15 H new ATOM 0 HE3 LYS A 87 -21.445 -19.899 9.910 1.00 54.15 H new ATOM 0 HZ1 LYS A 87 -23.564 -18.879 9.390 1.00 34.04 H new ATOM 0 HZ2 LYS A 87 -23.669 -19.713 10.865 1.00 34.04 H new ATOM 0 HZ3 LYS A 87 -23.553 -18.019 10.854 1.00 34.04 H new ATOM 1416 N LEU A 88 -16.222 -18.400 9.433 1.00 23.11 N ATOM 1417 CA LEU A 88 -15.942 -17.621 8.232 1.00 5.11 C ATOM 1418 C LEU A 88 -16.248 -18.429 6.975 1.00 4.21 C ATOM 1419 O LEU A 88 -15.805 -18.082 5.880 1.00 52.05 O ATOM 1420 CB LEU A 88 -14.479 -17.173 8.221 1.00 40.14 C ATOM 1421 CG LEU A 88 -14.111 -16.057 9.199 1.00 11.11 C ATOM 1422 CD1 LEU A 88 -14.078 -16.586 10.625 1.00 73.15 C ATOM 1423 CD2 LEU A 88 -12.771 -15.441 8.826 1.00 3.20 C ATOM 0 H LEU A 88 -15.625 -19.219 9.553 1.00 23.11 H new ATOM 0 HA LEU A 88 -16.585 -16.741 8.241 1.00 5.11 H new ATOM 0 HB2 LEU A 88 -13.853 -18.039 8.437 1.00 40.14 H new ATOM 0 HB3 LEU A 88 -14.229 -16.842 7.213 1.00 40.14 H new ATOM 0 HG LEU A 88 -14.874 -15.281 9.139 1.00 11.11 H new ATOM 0 HD11 LEU A 88 -13.814 -15.778 11.307 1.00 73.15 H new ATOM 0 HD12 LEU A 88 -15.060 -16.979 10.890 1.00 73.15 H new ATOM 0 HD13 LEU A 88 -13.336 -17.381 10.701 1.00 73.15 H new ATOM 0 HD21 LEU A 88 -12.525 -14.649 9.533 1.00 3.20 H new ATOM 0 HD22 LEU A 88 -11.997 -16.208 8.857 1.00 3.20 H new ATOM 0 HD23 LEU A 88 -12.829 -15.025 7.820 1.00 3.20 H new ATOM 1435 N ILE A 89 -17.008 -19.506 7.141 1.00 52.42 N ATOM 1436 CA ILE A 89 -17.376 -20.360 6.019 1.00 70.41 C ATOM 1437 C ILE A 89 -18.691 -19.909 5.392 1.00 62.21 C ATOM 1438 O ILE A 89 -19.771 -20.257 5.870 1.00 1.25 O ATOM 1439 CB ILE A 89 -17.505 -21.833 6.452 1.00 54.23 C ATOM 1440 CG1 ILE A 89 -16.191 -22.326 7.060 1.00 44.25 C ATOM 1441 CG2 ILE A 89 -17.906 -22.700 5.267 1.00 3.24 C ATOM 1442 CD1 ILE A 89 -16.338 -23.594 7.870 1.00 21.42 C ATOM 0 H ILE A 89 -17.381 -19.808 8.041 1.00 52.42 H new ATOM 0 HA ILE A 89 -16.577 -20.274 5.282 1.00 70.41 H new ATOM 0 HB ILE A 89 -18.284 -21.906 7.211 1.00 54.23 H new ATOM 0 HG12 ILE A 89 -15.471 -22.497 6.259 1.00 44.25 H new ATOM 0 HG13 ILE A 89 -15.779 -21.543 7.697 1.00 44.25 H new ATOM 0 HG21 ILE A 89 -17.993 -23.738 5.588 1.00 3.24 H new ATOM 0 HG22 ILE A 89 -18.865 -22.360 4.875 1.00 3.24 H new ATOM 0 HG23 ILE A 89 -17.148 -22.624 4.488 1.00 3.24 H new ATOM 0 HD11 ILE A 89 -15.367 -23.885 8.270 1.00 21.42 H new ATOM 0 HD12 ILE A 89 -17.033 -23.422 8.692 1.00 21.42 H new ATOM 0 HD13 ILE A 89 -16.721 -24.391 7.232 1.00 21.42 H new ATOM 1454 N HIS A 90 -18.592 -19.134 4.317 1.00 50.14 N ATOM 1455 CA HIS A 90 -19.774 -18.637 3.622 1.00 50.45 C ATOM 1456 C HIS A 90 -19.883 -19.250 2.229 1.00 52.54 C ATOM 1457 O HIS A 90 -18.900 -19.319 1.490 1.00 31.30 O ATOM 1458 CB HIS A 90 -19.727 -17.112 3.518 1.00 10.12 C ATOM 1459 CG HIS A 90 -20.157 -16.413 4.771 1.00 30.12 C ATOM 1460 ND1 HIS A 90 -19.679 -16.747 6.021 1.00 74.11 N ATOM 1461 CD2 HIS A 90 -21.025 -15.392 4.962 1.00 4.22 C ATOM 1462 CE1 HIS A 90 -20.236 -15.963 6.927 1.00 41.34 C ATOM 1463 NE2 HIS A 90 -21.056 -15.131 6.310 1.00 0.10 N ATOM 0 H HIS A 90 -17.706 -18.837 3.908 1.00 50.14 H new ATOM 0 HA HIS A 90 -20.653 -18.928 4.198 1.00 50.45 H new ATOM 0 HB2 HIS A 90 -18.711 -16.804 3.270 1.00 10.12 H new ATOM 0 HB3 HIS A 90 -20.367 -16.792 2.695 1.00 10.12 H new ATOM 0 HD2 HIS A 90 -21.588 -14.878 4.197 1.00 4.22 H new ATOM 0 HE1 HIS A 90 -20.052 -15.997 7.991 1.00 41.34 H new ATOM 0 HE2 HIS A 90 -21.621 -14.411 6.762 1.00 0.10 H new ATOM 1471 N THR A 91 -21.085 -19.694 1.875 1.00 13.12 N ATOM 1472 CA THR A 91 -21.323 -20.303 0.573 1.00 44.35 C ATOM 1473 C THR A 91 -22.480 -19.622 -0.150 1.00 20.43 C ATOM 1474 O THR A 91 -23.571 -19.479 0.402 1.00 32.40 O ATOM 1475 CB THR A 91 -21.627 -21.807 0.702 1.00 22.14 C ATOM 1476 OG1 THR A 91 -20.463 -22.505 1.160 1.00 41.51 O ATOM 1477 CG2 THR A 91 -22.079 -22.385 -0.630 1.00 53.21 C ATOM 0 H THR A 91 -21.910 -19.643 2.473 1.00 13.12 H new ATOM 0 HA THR A 91 -20.409 -20.174 -0.007 1.00 44.35 H new ATOM 0 HB THR A 91 -22.433 -21.931 1.425 1.00 22.14 H new ATOM 0 HG1 THR A 91 -20.575 -23.466 1.003 1.00 41.51 H new ATOM 0 HG21 THR A 91 -22.288 -23.448 -0.513 1.00 53.21 H new ATOM 0 HG22 THR A 91 -22.982 -21.872 -0.961 1.00 53.21 H new ATOM 0 HG23 THR A 91 -21.292 -22.249 -1.372 1.00 53.21 H new ATOM 1485 N VAL A 92 -22.235 -19.205 -1.388 1.00 13.54 N ATOM 1486 CA VAL A 92 -23.258 -18.540 -2.187 1.00 33.44 C ATOM 1487 C VAL A 92 -24.082 -19.552 -2.975 1.00 73.02 C ATOM 1488 O VAL A 92 -23.538 -20.354 -3.735 1.00 13.24 O ATOM 1489 CB VAL A 92 -22.636 -17.527 -3.165 1.00 60.14 C ATOM 1490 CG1 VAL A 92 -23.722 -16.807 -3.950 1.00 44.34 C ATOM 1491 CG2 VAL A 92 -21.759 -16.534 -2.418 1.00 13.15 C ATOM 0 H VAL A 92 -21.337 -19.316 -1.860 1.00 13.54 H new ATOM 0 HA VAL A 92 -23.908 -18.009 -1.492 1.00 33.44 H new ATOM 0 HB VAL A 92 -22.009 -18.069 -3.872 1.00 60.14 H new ATOM 0 HG11 VAL A 92 -23.264 -16.095 -4.636 1.00 44.34 H new ATOM 0 HG12 VAL A 92 -24.304 -17.534 -4.517 1.00 44.34 H new ATOM 0 HG13 VAL A 92 -24.378 -16.276 -3.260 1.00 44.34 H new ATOM 0 HG21 VAL A 92 -21.328 -15.826 -3.125 1.00 13.15 H new ATOM 0 HG22 VAL A 92 -22.361 -15.995 -1.686 1.00 13.15 H new ATOM 0 HG23 VAL A 92 -20.959 -17.069 -1.906 1.00 13.15 H new ATOM 1501 N ARG A 93 -25.398 -19.508 -2.790 1.00 64.32 N ATOM 1502 CA ARG A 93 -26.298 -20.422 -3.484 1.00 5.30 C ATOM 1503 C ARG A 93 -26.146 -20.290 -4.997 1.00 22.14 C ATOM 1504 O ARG A 93 -26.710 -19.386 -5.611 1.00 2.31 O ATOM 1505 CB ARG A 93 -27.747 -20.148 -3.080 1.00 54.24 C ATOM 1506 CG ARG A 93 -28.127 -18.677 -3.135 1.00 74.11 C ATOM 1507 CD ARG A 93 -28.339 -18.104 -1.742 1.00 62.15 C ATOM 1508 NE ARG A 93 -29.720 -18.257 -1.292 1.00 4.33 N ATOM 1509 CZ ARG A 93 -30.705 -17.443 -1.654 1.00 71.10 C ATOM 1510 NH1 ARG A 93 -30.463 -16.425 -2.468 1.00 74.25 N ATOM 1511 NH2 ARG A 93 -31.936 -17.647 -1.202 1.00 22.32 N ATOM 0 H ARG A 93 -25.864 -18.850 -2.166 1.00 64.32 H new ATOM 0 HA ARG A 93 -26.034 -21.440 -3.197 1.00 5.30 H new ATOM 0 HB2 ARG A 93 -28.411 -20.711 -3.736 1.00 54.24 H new ATOM 0 HB3 ARG A 93 -27.909 -20.519 -2.068 1.00 54.24 H new ATOM 0 HG2 ARG A 93 -27.343 -18.116 -3.645 1.00 74.11 H new ATOM 0 HG3 ARG A 93 -29.038 -18.557 -3.722 1.00 74.11 H new ATOM 0 HD2 ARG A 93 -27.671 -18.603 -1.039 1.00 62.15 H new ATOM 0 HD3 ARG A 93 -28.072 -17.047 -1.740 1.00 62.15 H new ATOM 0 HE ARG A 93 -29.940 -19.031 -0.666 1.00 4.33 H new ATOM 0 HH11 ARG A 93 -29.518 -16.265 -2.818 1.00 74.25 H new ATOM 0 HH12 ARG A 93 -31.221 -15.802 -2.744 1.00 74.25 H new ATOM 0 HH21 ARG A 93 -32.126 -18.429 -0.576 1.00 22.32 H new ATOM 0 HH22 ARG A 93 -32.692 -17.021 -1.481 1.00 22.32 H new ATOM 1525 N GLY A 94 -25.379 -21.199 -5.591 1.00 22.32 N ATOM 1526 CA GLY A 94 -25.166 -21.167 -7.026 1.00 10.30 C ATOM 1527 C GLY A 94 -23.792 -20.645 -7.397 1.00 0.24 C ATOM 1528 O GLY A 94 -23.639 -19.926 -8.384 1.00 32.12 O ATOM 0 H GLY A 94 -24.901 -21.957 -5.104 1.00 22.32 H new ATOM 0 HA2 GLY A 94 -25.291 -22.171 -7.431 1.00 10.30 H new ATOM 0 HA3 GLY A 94 -25.927 -20.539 -7.489 1.00 10.30 H new ATOM 1532 N ALA A 95 -22.790 -21.006 -6.602 1.00 45.32 N ATOM 1533 CA ALA A 95 -21.421 -20.569 -6.852 1.00 75.34 C ATOM 1534 C ALA A 95 -20.419 -21.642 -6.440 1.00 10.10 C ATOM 1535 O ALA A 95 -19.819 -22.303 -7.286 1.00 72.14 O ATOM 1536 CB ALA A 95 -21.139 -19.269 -6.115 1.00 12.22 C ATOM 0 H ALA A 95 -22.900 -21.600 -5.780 1.00 45.32 H new ATOM 0 HA ALA A 95 -21.310 -20.397 -7.923 1.00 75.34 H new ATOM 0 HB1 ALA A 95 -20.114 -18.955 -6.311 1.00 12.22 H new ATOM 0 HB2 ALA A 95 -21.827 -18.498 -6.461 1.00 12.22 H new ATOM 0 HB3 ALA A 95 -21.274 -19.421 -5.044 1.00 12.22 H new ATOM 1542 N GLY A 96 -20.242 -21.809 -5.133 1.00 3.32 N ATOM 1543 CA GLY A 96 -19.310 -22.802 -4.631 1.00 70.04 C ATOM 1544 C GLY A 96 -19.007 -22.620 -3.157 1.00 64.44 C ATOM 1545 O GLY A 96 -19.809 -22.992 -2.301 1.00 13.02 O ATOM 0 H GLY A 96 -20.727 -21.274 -4.413 1.00 3.32 H new ATOM 0 HA2 GLY A 96 -19.722 -23.798 -4.794 1.00 70.04 H new ATOM 0 HA3 GLY A 96 -18.382 -22.745 -5.199 1.00 70.04 H new ATOM 1549 N TYR A 97 -17.845 -22.049 -2.860 1.00 63.33 N ATOM 1550 CA TYR A 97 -17.435 -21.823 -1.479 1.00 73.13 C ATOM 1551 C TYR A 97 -16.476 -20.641 -1.382 1.00 42.12 C ATOM 1552 O TYR A 97 -15.614 -20.453 -2.241 1.00 70.32 O ATOM 1553 CB TYR A 97 -16.774 -23.079 -0.909 1.00 70.01 C ATOM 1554 CG TYR A 97 -17.682 -23.885 -0.008 1.00 61.52 C ATOM 1555 CD1 TYR A 97 -18.515 -24.868 -0.529 1.00 52.10 C ATOM 1556 CD2 TYR A 97 -17.707 -23.665 1.363 1.00 14.52 C ATOM 1557 CE1 TYR A 97 -19.347 -25.607 0.290 1.00 40.10 C ATOM 1558 CE2 TYR A 97 -18.535 -24.400 2.190 1.00 43.41 C ATOM 1559 CZ TYR A 97 -19.353 -25.369 1.649 1.00 63.33 C ATOM 1560 OH TYR A 97 -20.179 -26.103 2.469 1.00 54.33 O ATOM 0 H TYR A 97 -17.170 -21.734 -3.557 1.00 63.33 H new ATOM 0 HA TYR A 97 -18.326 -21.593 -0.895 1.00 73.13 H new ATOM 0 HB2 TYR A 97 -16.441 -23.710 -1.733 1.00 70.01 H new ATOM 0 HB3 TYR A 97 -15.885 -22.789 -0.349 1.00 70.01 H new ATOM 0 HD1 TYR A 97 -18.512 -25.057 -1.592 1.00 52.10 H new ATOM 0 HD2 TYR A 97 -17.068 -22.906 1.790 1.00 14.52 H new ATOM 0 HE1 TYR A 97 -19.989 -26.367 -0.131 1.00 40.10 H new ATOM 0 HE2 TYR A 97 -18.541 -24.216 3.254 1.00 43.41 H new ATOM 0 HH TYR A 97 -19.710 -26.311 3.304 1.00 54.33 H new ATOM 1570 N VAL A 98 -16.632 -19.846 -0.329 1.00 3.45 N ATOM 1571 CA VAL A 98 -15.779 -18.682 -0.116 1.00 72.02 C ATOM 1572 C VAL A 98 -15.668 -18.346 1.367 1.00 41.44 C ATOM 1573 O VAL A 98 -16.496 -18.769 2.175 1.00 62.05 O ATOM 1574 CB VAL A 98 -16.312 -17.450 -0.872 1.00 60.43 C ATOM 1575 CG1 VAL A 98 -17.537 -16.883 -0.172 1.00 52.32 C ATOM 1576 CG2 VAL A 98 -15.225 -16.394 -1.002 1.00 61.35 C ATOM 0 H VAL A 98 -17.341 -19.986 0.391 1.00 3.45 H new ATOM 0 HA VAL A 98 -14.792 -18.937 -0.502 1.00 72.02 H new ATOM 0 HB VAL A 98 -16.607 -17.760 -1.874 1.00 60.43 H new ATOM 0 HG11 VAL A 98 -17.899 -16.013 -0.720 1.00 52.32 H new ATOM 0 HG12 VAL A 98 -18.319 -17.641 -0.136 1.00 52.32 H new ATOM 0 HG13 VAL A 98 -17.272 -16.587 0.843 1.00 52.32 H new ATOM 0 HG21 VAL A 98 -15.619 -15.531 -1.539 1.00 61.35 H new ATOM 0 HG22 VAL A 98 -14.897 -16.086 -0.009 1.00 61.35 H new ATOM 0 HG23 VAL A 98 -14.379 -16.808 -1.551 1.00 61.35 H new ATOM 1586 N LEU A 99 -14.640 -17.581 1.718 1.00 31.15 N ATOM 1587 CA LEU A 99 -14.420 -17.186 3.105 1.00 21.15 C ATOM 1588 C LEU A 99 -14.789 -15.722 3.320 1.00 55.11 C ATOM 1589 O LEU A 99 -14.743 -14.918 2.389 1.00 34.14 O ATOM 1590 CB LEU A 99 -12.959 -17.418 3.497 1.00 53.24 C ATOM 1591 CG LEU A 99 -11.922 -17.158 2.403 1.00 13.44 C ATOM 1592 CD1 LEU A 99 -12.028 -15.728 1.897 1.00 1.50 C ATOM 1593 CD2 LEU A 99 -10.519 -17.440 2.921 1.00 54.10 C ATOM 0 H LEU A 99 -13.946 -17.222 1.062 1.00 31.15 H new ATOM 0 HA LEU A 99 -15.062 -17.800 3.737 1.00 21.15 H new ATOM 0 HB2 LEU A 99 -12.726 -16.780 4.349 1.00 53.24 H new ATOM 0 HB3 LEU A 99 -12.853 -18.450 3.833 1.00 53.24 H new ATOM 0 HG LEU A 99 -12.123 -17.832 1.570 1.00 13.44 H new ATOM 0 HD11 LEU A 99 -11.283 -15.561 1.119 1.00 1.50 H new ATOM 0 HD12 LEU A 99 -13.024 -15.560 1.487 1.00 1.50 H new ATOM 0 HD13 LEU A 99 -11.853 -15.036 2.721 1.00 1.50 H new ATOM 0 HD21 LEU A 99 -9.794 -17.250 2.130 1.00 54.10 H new ATOM 0 HD22 LEU A 99 -10.308 -16.791 3.771 1.00 54.10 H new ATOM 0 HD23 LEU A 99 -10.449 -18.482 3.234 1.00 54.10 H new ATOM 1605 N GLU A 100 -15.154 -15.383 4.553 1.00 62.13 N ATOM 1606 CA GLU A 100 -15.530 -14.015 4.889 1.00 44.13 C ATOM 1607 C GLU A 100 -15.795 -13.875 6.385 1.00 72.41 C ATOM 1608 O GLU A 100 -15.837 -14.867 7.114 1.00 60.25 O ATOM 1609 CB GLU A 100 -16.770 -13.594 4.098 1.00 33.51 C ATOM 1610 CG GLU A 100 -16.483 -12.568 3.015 1.00 70.31 C ATOM 1611 CD GLU A 100 -17.629 -11.596 2.814 1.00 50.12 C ATOM 1612 OE1 GLU A 100 -18.725 -12.044 2.418 1.00 14.23 O ATOM 1613 OE2 GLU A 100 -17.429 -10.386 3.052 1.00 22.44 O ATOM 0 H GLU A 100 -15.197 -16.037 5.335 1.00 62.13 H new ATOM 0 HA GLU A 100 -14.699 -13.362 4.622 1.00 44.13 H new ATOM 0 HB2 GLU A 100 -17.216 -14.477 3.641 1.00 33.51 H new ATOM 0 HB3 GLU A 100 -17.509 -13.185 4.787 1.00 33.51 H new ATOM 0 HG2 GLU A 100 -15.582 -12.013 3.275 1.00 70.31 H new ATOM 0 HG3 GLU A 100 -16.280 -13.083 2.076 1.00 70.31 H new ATOM 1620 N ILE A 101 -15.973 -12.638 6.835 1.00 32.14 N ATOM 1621 CA ILE A 101 -16.235 -12.369 8.244 1.00 41.33 C ATOM 1622 C ILE A 101 -17.541 -11.602 8.423 1.00 4.52 C ATOM 1623 O ILE A 101 -18.037 -10.974 7.488 1.00 50.41 O ATOM 1624 CB ILE A 101 -15.088 -11.566 8.886 1.00 53.42 C ATOM 1625 CG1 ILE A 101 -14.819 -10.290 8.085 1.00 70.00 C ATOM 1626 CG2 ILE A 101 -13.831 -12.417 8.975 1.00 4.01 C ATOM 1627 CD1 ILE A 101 -13.837 -9.353 8.753 1.00 62.32 C ATOM 0 H ILE A 101 -15.941 -11.806 6.245 1.00 32.14 H new ATOM 0 HA ILE A 101 -16.313 -13.336 8.741 1.00 41.33 H new ATOM 0 HB ILE A 101 -15.383 -11.283 9.896 1.00 53.42 H new ATOM 0 HG12 ILE A 101 -14.437 -10.562 7.101 1.00 70.00 H new ATOM 0 HG13 ILE A 101 -15.761 -9.764 7.927 1.00 70.00 H new ATOM 0 HG21 ILE A 101 -13.030 -11.836 9.431 1.00 4.01 H new ATOM 0 HG22 ILE A 101 -14.031 -13.299 9.584 1.00 4.01 H new ATOM 0 HG23 ILE A 101 -13.530 -12.727 7.974 1.00 4.01 H new ATOM 0 HD11 ILE A 101 -13.694 -8.470 8.129 1.00 62.32 H new ATOM 0 HD12 ILE A 101 -14.226 -9.051 9.725 1.00 62.32 H new ATOM 0 HD13 ILE A 101 -12.882 -9.861 8.886 1.00 62.32 H new ATOM 1639 N ARG A 102 -18.091 -11.656 9.632 1.00 41.43 N ATOM 1640 CA ARG A 102 -19.339 -10.965 9.934 1.00 22.35 C ATOM 1641 C ARG A 102 -19.081 -9.499 10.270 1.00 34.25 C ATOM 1642 O ARG A 102 -19.966 -8.656 10.128 1.00 12.04 O ATOM 1643 CB ARG A 102 -20.055 -11.649 11.101 1.00 45.10 C ATOM 1644 CG ARG A 102 -20.511 -13.065 10.790 1.00 52.23 C ATOM 1645 CD ARG A 102 -21.728 -13.070 9.878 1.00 40.24 C ATOM 1646 NE ARG A 102 -22.930 -12.609 10.567 1.00 75.43 N ATOM 1647 CZ ARG A 102 -24.161 -12.802 10.105 1.00 11.31 C ATOM 1648 NH1 ARG A 102 -24.351 -13.443 8.960 1.00 44.50 N ATOM 1649 NH2 ARG A 102 -25.205 -12.353 10.790 1.00 55.14 N ATOM 0 H ARG A 102 -17.692 -12.171 10.417 1.00 41.43 H new ATOM 0 HA ARG A 102 -19.974 -11.010 9.050 1.00 22.35 H new ATOM 0 HB2 ARG A 102 -19.387 -11.672 11.962 1.00 45.10 H new ATOM 0 HB3 ARG A 102 -20.921 -11.052 11.385 1.00 45.10 H new ATOM 0 HG2 ARG A 102 -19.698 -13.615 10.316 1.00 52.23 H new ATOM 0 HG3 ARG A 102 -20.748 -13.584 11.718 1.00 52.23 H new ATOM 0 HD2 ARG A 102 -21.537 -12.431 9.015 1.00 40.24 H new ATOM 0 HD3 ARG A 102 -21.892 -14.078 9.498 1.00 40.24 H new ATOM 0 HE ARG A 102 -22.819 -12.112 11.451 1.00 75.43 H new ATOM 0 HH11 ARG A 102 -23.551 -13.790 8.431 1.00 44.50 H new ATOM 0 HH12 ARG A 102 -25.297 -13.589 8.608 1.00 44.50 H new ATOM 0 HH21 ARG A 102 -25.063 -11.860 11.671 1.00 55.14 H new ATOM 0 HH22 ARG A 102 -26.150 -12.501 10.435 1.00 55.14 H new ATOM 1663 N GLU A 103 -17.864 -9.204 10.717 1.00 74.51 N ATOM 1664 CA GLU A 103 -17.492 -7.841 11.074 1.00 11.42 C ATOM 1665 C GLU A 103 -17.537 -6.927 9.853 1.00 15.40 C ATOM 1666 O GLU A 103 -17.649 -5.708 9.982 1.00 44.04 O ATOM 1667 CB GLU A 103 -16.092 -7.816 11.692 1.00 55.40 C ATOM 1668 CG GLU A 103 -15.853 -8.926 12.701 1.00 64.11 C ATOM 1669 CD GLU A 103 -16.928 -8.987 13.769 1.00 44.54 C ATOM 1670 OE1 GLU A 103 -17.999 -9.570 13.499 1.00 45.11 O ATOM 1671 OE2 GLU A 103 -16.699 -8.451 14.873 1.00 44.20 O ATOM 0 H GLU A 103 -17.120 -9.891 10.840 1.00 74.51 H new ATOM 0 HA GLU A 103 -18.212 -7.476 11.807 1.00 11.42 H new ATOM 0 HB2 GLU A 103 -15.351 -7.894 10.896 1.00 55.40 H new ATOM 0 HB3 GLU A 103 -15.936 -6.854 12.179 1.00 55.40 H new ATOM 0 HG2 GLU A 103 -15.810 -9.882 12.180 1.00 64.11 H new ATOM 0 HG3 GLU A 103 -14.883 -8.778 13.176 1.00 64.11 H new ATOM 1678 N GLU A 104 -17.450 -7.525 8.669 1.00 21.44 N ATOM 1679 CA GLU A 104 -17.479 -6.765 7.425 1.00 35.14 C ATOM 1680 C GLU A 104 -18.665 -5.805 7.403 1.00 51.32 C ATOM 1681 O GLU A 104 -19.686 -6.049 8.044 1.00 33.13 O ATOM 1682 CB GLU A 104 -17.552 -7.711 6.225 1.00 35.31 C ATOM 1683 CG GLU A 104 -18.972 -8.015 5.775 1.00 24.10 C ATOM 1684 CD GLU A 104 -19.491 -7.010 4.765 1.00 30.31 C ATOM 1685 OE1 GLU A 104 -18.846 -6.845 3.709 1.00 41.55 O ATOM 1686 OE2 GLU A 104 -20.542 -6.390 5.031 1.00 64.02 O ATOM 0 H GLU A 104 -17.359 -8.533 8.545 1.00 21.44 H new ATOM 0 HA GLU A 104 -16.560 -6.182 7.363 1.00 35.14 H new ATOM 0 HB2 GLU A 104 -17.002 -7.272 5.393 1.00 35.31 H new ATOM 0 HB3 GLU A 104 -17.052 -8.646 6.479 1.00 35.31 H new ATOM 0 HG2 GLU A 104 -19.005 -9.013 5.339 1.00 24.10 H new ATOM 0 HG3 GLU A 104 -19.630 -8.025 6.644 1.00 24.10 H new TER 1693 GLU A 104