USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 670 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 NoAdj-H: A 31 HIS HD1 : A 31 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 74 HIS HD1 : A 74 HIS ND1 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 89 SER OG : rot 98:sc= 1.44 USER MOD Set 1.2: A 93 HIS : no HE2:sc= -2.05 K(o=-0.61,f=-2.5!) USER MOD Single : A 1 GLY N :NH3+ 179:sc= 2.12 (180deg=2.03) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= -0.389 USER MOD Single : A 17 GLN :FLIP amide:sc=-0.00733 F(o=-1.2!,f=-0.0073) USER MOD Single : A 20 SER OG : rot -133:sc= 0.566 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -172:sc= 1.27 (180deg=1.15) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.461 K(o=-0.46,f=-1.2) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00623 USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= -0.0347 (180deg=-0.272) USER MOD Single : A 44 LYS NZ :NH3+ -165:sc= -0.0217 (180deg=-0.272) USER MOD Single : A 50 HIS : no HD1:sc= -1.14 X(o=-1.1,f=-0.99) USER MOD Single : A 51 GLN : amide:sc= -0.0379 X(o=-0.038,f=-0.059) USER MOD Single : A 57 LYS NZ :NH3+ -161:sc= -0.085 (180deg=-0.511) USER MOD Single : A 61 SER OG : rot -70:sc= -0.251 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 97:sc= 0.574 USER MOD Single : A 69 SER OG : rot 87:sc= 1.4 USER MOD Single : A 72 LYS NZ :NH3+ -161:sc= -0.057 (180deg=-0.462) USER MOD Single : A 73 GLN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 168:sc= 0.809 USER MOD Single : A 83 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.104) USER MOD Single : A 91 THR OG1 : rot 67:sc= 0.0156 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.052 0.310 8.645 1.00 6.55 N ATOM 2 CA GLY A 1 10.184 0.528 9.573 1.00 6.13 C ATOM 3 C GLY A 1 11.341 -0.396 9.269 1.00 5.56 C ATOM 4 O GLY A 1 11.435 -0.935 8.163 1.00 5.62 O ATOM 0 H1 GLY A 1 8.271 0.949 8.894 1.00 6.55 H new ATOM 0 H2 GLY A 1 9.360 0.503 7.671 1.00 6.55 H new ATOM 0 H3 GLY A 1 8.729 -0.676 8.717 1.00 6.55 H new ATOM 0 HA2 GLY A 1 10.517 1.564 9.504 1.00 6.13 H new ATOM 0 HA3 GLY A 1 9.850 0.368 10.598 1.00 6.13 H new ATOM 10 N ALA A 2 12.218 -0.584 10.244 1.00 5.41 N ATOM 11 CA ALA A 2 13.366 -1.460 10.073 1.00 5.31 C ATOM 12 C ALA A 2 13.153 -2.777 10.798 1.00 4.43 C ATOM 13 O ALA A 2 13.619 -3.823 10.351 1.00 4.77 O ATOM 14 CB ALA A 2 14.636 -0.787 10.568 1.00 6.37 C ATOM 0 H ALA A 2 12.156 -0.142 11.161 1.00 5.41 H new ATOM 0 HA ALA A 2 13.475 -1.666 9.008 1.00 5.31 H new ATOM 0 HB1 ALA A 2 15.482 -1.460 10.430 1.00 6.37 H new ATOM 0 HB2 ALA A 2 14.806 0.129 10.003 1.00 6.37 H new ATOM 0 HB3 ALA A 2 14.532 -0.547 11.626 1.00 6.37 H new ATOM 20 N MET A 3 12.440 -2.724 11.917 1.00 3.71 N ATOM 21 CA MET A 3 12.191 -3.913 12.718 1.00 3.29 C ATOM 22 C MET A 3 11.304 -4.896 11.965 1.00 2.27 C ATOM 23 O MET A 3 11.733 -5.996 11.615 1.00 2.62 O ATOM 24 CB MET A 3 11.545 -3.542 14.053 1.00 3.97 C ATOM 25 CG MET A 3 11.300 -4.743 14.950 1.00 4.59 C ATOM 26 SD MET A 3 12.821 -5.619 15.355 1.00 5.49 S ATOM 27 CE MET A 3 12.161 -7.048 16.204 1.00 6.18 C ATOM 0 H MET A 3 12.025 -1.870 12.289 1.00 3.71 H new ATOM 0 HA MET A 3 13.151 -4.390 12.916 1.00 3.29 H new ATOM 0 HB2 MET A 3 12.186 -2.831 14.575 1.00 3.97 H new ATOM 0 HB3 MET A 3 10.597 -3.038 13.864 1.00 3.97 H new ATOM 0 HG2 MET A 3 10.818 -4.413 15.870 1.00 4.59 H new ATOM 0 HG3 MET A 3 10.610 -5.427 14.456 1.00 4.59 H new ATOM 0 HE1 MET A 3 12.980 -7.694 16.521 1.00 6.18 H new ATOM 0 HE2 MET A 3 11.596 -6.723 17.078 1.00 6.18 H new ATOM 0 HE3 MET A 3 11.504 -7.599 15.532 1.00 6.18 H new ATOM 37 N GLU A 4 10.071 -4.490 11.709 1.00 1.66 N ATOM 38 CA GLU A 4 9.125 -5.336 10.998 1.00 1.27 C ATOM 39 C GLU A 4 9.147 -5.019 9.511 1.00 1.17 C ATOM 40 O GLU A 4 8.759 -3.924 9.096 1.00 1.64 O ATOM 41 CB GLU A 4 7.718 -5.144 11.555 1.00 2.01 C ATOM 42 CG GLU A 4 7.566 -5.618 12.987 1.00 2.51 C ATOM 43 CD GLU A 4 7.700 -7.120 13.119 1.00 3.17 C ATOM 44 OE1 GLU A 4 8.800 -7.588 13.470 1.00 3.76 O ATOM 45 OE2 GLU A 4 6.712 -7.841 12.868 1.00 3.52 O ATOM 0 H GLU A 4 9.701 -3.580 11.983 1.00 1.66 H new ATOM 0 HA GLU A 4 9.418 -6.376 11.139 1.00 1.27 H new ATOM 0 HB2 GLU A 4 7.455 -4.088 11.500 1.00 2.01 H new ATOM 0 HB3 GLU A 4 7.010 -5.682 10.925 1.00 2.01 H new ATOM 0 HG2 GLU A 4 8.319 -5.134 13.608 1.00 2.51 H new ATOM 0 HG3 GLU A 4 6.592 -5.309 13.367 1.00 2.51 H new ATOM 52 N ARG A 5 9.616 -5.971 8.720 1.00 0.96 N ATOM 53 CA ARG A 5 9.700 -5.805 7.279 1.00 0.91 C ATOM 54 C ARG A 5 9.217 -7.063 6.571 1.00 0.81 C ATOM 55 O ARG A 5 9.494 -8.181 7.010 1.00 0.84 O ATOM 56 CB ARG A 5 11.143 -5.526 6.851 1.00 0.98 C ATOM 57 CG ARG A 5 11.746 -4.263 7.441 1.00 1.45 C ATOM 58 CD ARG A 5 13.182 -4.079 6.976 1.00 1.50 C ATOM 59 NE ARG A 5 14.009 -5.242 7.298 1.00 2.16 N ATOM 60 CZ ARG A 5 15.098 -5.600 6.617 1.00 2.56 C ATOM 61 NH1 ARG A 5 15.527 -4.859 5.602 1.00 2.34 N ATOM 62 NH2 ARG A 5 15.765 -6.695 6.962 1.00 3.55 N ATOM 0 H ARG A 5 9.947 -6.875 9.057 1.00 0.96 H new ATOM 0 HA ARG A 5 9.068 -4.961 7.004 1.00 0.91 H new ATOM 0 HB2 ARG A 5 11.763 -6.376 7.136 1.00 0.98 H new ATOM 0 HB3 ARG A 5 11.178 -5.456 5.764 1.00 0.98 H new ATOM 0 HG2 ARG A 5 11.151 -3.399 7.146 1.00 1.45 H new ATOM 0 HG3 ARG A 5 11.716 -4.315 8.529 1.00 1.45 H new ATOM 0 HD2 ARG A 5 13.197 -3.909 5.899 1.00 1.50 H new ATOM 0 HD3 ARG A 5 13.605 -3.191 7.445 1.00 1.50 H new ATOM 0 HE ARG A 5 13.735 -5.816 8.095 1.00 2.16 H new ATOM 0 HH11 ARG A 5 15.023 -4.012 5.340 1.00 2.34 H new ATOM 0 HH12 ARG A 5 16.361 -5.137 5.084 1.00 2.34 H new ATOM 0 HH21 ARG A 5 15.444 -7.261 7.747 1.00 3.55 H new ATOM 0 HH22 ARG A 5 16.598 -6.970 6.442 1.00 3.55 H new ATOM 76 N GLU A 6 8.485 -6.879 5.490 1.00 0.77 N ATOM 77 CA GLU A 6 8.125 -7.981 4.617 1.00 0.72 C ATOM 78 C GLU A 6 9.302 -8.304 3.707 1.00 0.62 C ATOM 79 O GLU A 6 10.159 -7.452 3.463 1.00 0.73 O ATOM 80 CB GLU A 6 6.894 -7.624 3.783 1.00 0.85 C ATOM 81 CG GLU A 6 5.617 -7.496 4.597 1.00 1.17 C ATOM 82 CD GLU A 6 5.169 -8.814 5.189 1.00 1.78 C ATOM 83 OE1 GLU A 6 5.703 -9.214 6.244 1.00 2.22 O ATOM 84 OE2 GLU A 6 4.269 -9.455 4.604 1.00 2.46 O ATOM 0 H GLU A 6 8.126 -5.972 5.193 1.00 0.77 H new ATOM 0 HA GLU A 6 7.883 -8.854 5.223 1.00 0.72 H new ATOM 0 HB2 GLU A 6 7.079 -6.683 3.264 1.00 0.85 H new ATOM 0 HB3 GLU A 6 6.751 -8.387 3.018 1.00 0.85 H new ATOM 0 HG2 GLU A 6 5.773 -6.776 5.400 1.00 1.17 H new ATOM 0 HG3 GLU A 6 4.825 -7.099 3.963 1.00 1.17 H new ATOM 91 N ASP A 7 9.355 -9.530 3.218 1.00 0.54 N ATOM 92 CA ASP A 7 10.439 -9.948 2.341 1.00 0.53 C ATOM 93 C ASP A 7 9.931 -10.178 0.926 1.00 0.46 C ATOM 94 O ASP A 7 10.569 -10.858 0.123 1.00 0.55 O ATOM 95 CB ASP A 7 11.105 -11.219 2.878 1.00 0.71 C ATOM 96 CG ASP A 7 10.177 -12.418 2.878 1.00 1.68 C ATOM 97 OD1 ASP A 7 9.127 -12.360 3.554 1.00 2.36 O ATOM 98 OD2 ASP A 7 10.493 -13.424 2.207 1.00 2.34 O ATOM 0 H ASP A 7 8.663 -10.254 3.411 1.00 0.54 H new ATOM 0 HA ASP A 7 11.180 -9.149 2.315 1.00 0.53 H new ATOM 0 HB2 ASP A 7 11.983 -11.446 2.273 1.00 0.71 H new ATOM 0 HB3 ASP A 7 11.456 -11.038 3.894 1.00 0.71 H new ATOM 103 N GLU A 8 8.787 -9.585 0.624 1.00 0.37 N ATOM 104 CA GLU A 8 8.174 -9.705 -0.686 1.00 0.34 C ATOM 105 C GLU A 8 7.467 -8.402 -1.038 1.00 0.28 C ATOM 106 O GLU A 8 6.990 -7.693 -0.152 1.00 0.29 O ATOM 107 CB GLU A 8 7.185 -10.873 -0.689 1.00 0.42 C ATOM 108 CG GLU A 8 6.537 -11.134 -2.037 1.00 0.46 C ATOM 109 CD GLU A 8 5.597 -12.321 -2.009 1.00 0.60 C ATOM 110 OE1 GLU A 8 6.023 -13.433 -2.385 1.00 0.71 O ATOM 111 OE2 GLU A 8 4.425 -12.148 -1.605 1.00 0.69 O ATOM 0 H GLU A 8 8.259 -9.009 1.280 1.00 0.37 H new ATOM 0 HA GLU A 8 8.942 -9.900 -1.434 1.00 0.34 H new ATOM 0 HB2 GLU A 8 7.704 -11.776 -0.367 1.00 0.42 H new ATOM 0 HB3 GLU A 8 6.404 -10.675 0.045 1.00 0.42 H new ATOM 0 HG2 GLU A 8 5.987 -10.247 -2.350 1.00 0.46 H new ATOM 0 HG3 GLU A 8 7.313 -11.307 -2.782 1.00 0.46 H new ATOM 118 N CYS A 9 7.388 -8.095 -2.324 1.00 0.27 N ATOM 119 CA CYS A 9 6.772 -6.857 -2.765 1.00 0.25 C ATOM 120 C CYS A 9 5.271 -7.036 -2.848 1.00 0.32 C ATOM 121 O CYS A 9 4.781 -7.843 -3.632 1.00 0.38 O ATOM 122 CB CYS A 9 7.297 -6.463 -4.141 1.00 0.26 C ATOM 123 SG CYS A 9 6.534 -4.975 -4.829 1.00 0.30 S ATOM 0 H CYS A 9 7.742 -8.685 -3.077 1.00 0.27 H new ATOM 0 HA CYS A 9 7.017 -6.074 -2.047 1.00 0.25 H new ATOM 0 HB2 CYS A 9 8.374 -6.308 -4.076 1.00 0.26 H new ATOM 0 HB3 CYS A 9 7.135 -7.292 -4.830 1.00 0.26 H new ATOM 128 N PHE A 10 4.549 -6.264 -2.055 1.00 0.33 N ATOM 129 CA PHE A 10 3.095 -6.358 -2.018 1.00 0.41 C ATOM 130 C PHE A 10 2.493 -5.918 -3.354 1.00 0.48 C ATOM 131 O PHE A 10 1.405 -6.350 -3.730 1.00 0.57 O ATOM 132 CB PHE A 10 2.548 -5.501 -0.868 1.00 0.41 C ATOM 133 CG PHE A 10 1.052 -5.530 -0.743 1.00 0.46 C ATOM 134 CD1 PHE A 10 0.293 -4.428 -1.105 1.00 0.50 C ATOM 135 CD2 PHE A 10 0.406 -6.658 -0.263 1.00 0.50 C ATOM 136 CE1 PHE A 10 -1.082 -4.453 -0.992 1.00 0.56 C ATOM 137 CE2 PHE A 10 -0.968 -6.687 -0.148 1.00 0.57 C ATOM 138 CZ PHE A 10 -1.712 -5.580 -0.508 1.00 0.59 C ATOM 0 H PHE A 10 4.943 -5.564 -1.427 1.00 0.33 H new ATOM 0 HA PHE A 10 2.812 -7.397 -1.848 1.00 0.41 H new ATOM 0 HB2 PHE A 10 2.987 -5.845 0.068 1.00 0.41 H new ATOM 0 HB3 PHE A 10 2.870 -4.470 -1.012 1.00 0.41 H new ATOM 0 HD1 PHE A 10 0.783 -3.541 -1.479 1.00 0.50 H new ATOM 0 HD2 PHE A 10 0.985 -7.524 0.024 1.00 0.50 H new ATOM 0 HE1 PHE A 10 -1.664 -3.591 -1.282 1.00 0.56 H new ATOM 0 HE2 PHE A 10 -1.461 -7.573 0.223 1.00 0.57 H new ATOM 0 HZ PHE A 10 -2.787 -5.597 -0.410 1.00 0.59 H new ATOM 148 N SER A 11 3.227 -5.084 -4.078 1.00 0.46 N ATOM 149 CA SER A 11 2.759 -4.556 -5.350 1.00 0.54 C ATOM 150 C SER A 11 2.876 -5.584 -6.473 1.00 0.57 C ATOM 151 O SER A 11 2.102 -5.554 -7.431 1.00 0.69 O ATOM 152 CB SER A 11 3.554 -3.304 -5.717 1.00 0.54 C ATOM 153 OG SER A 11 3.491 -2.341 -4.682 1.00 0.96 O ATOM 0 H SER A 11 4.154 -4.758 -3.803 1.00 0.46 H new ATOM 0 HA SER A 11 1.704 -4.307 -5.234 1.00 0.54 H new ATOM 0 HB2 SER A 11 4.593 -3.572 -5.907 1.00 0.54 H new ATOM 0 HB3 SER A 11 3.161 -2.877 -6.640 1.00 0.54 H new ATOM 0 HG SER A 11 4.009 -1.550 -4.939 1.00 0.96 H new ATOM 159 N CYS A 12 3.838 -6.493 -6.367 1.00 0.48 N ATOM 160 CA CYS A 12 4.108 -7.419 -7.462 1.00 0.53 C ATOM 161 C CYS A 12 3.891 -8.876 -7.062 1.00 0.55 C ATOM 162 O CYS A 12 3.572 -9.714 -7.903 1.00 0.62 O ATOM 163 CB CYS A 12 5.538 -7.234 -7.965 1.00 0.51 C ATOM 164 SG CYS A 12 5.930 -5.544 -8.466 1.00 0.49 S ATOM 0 H CYS A 12 4.436 -6.609 -5.549 1.00 0.48 H new ATOM 0 HA CYS A 12 3.399 -7.188 -8.257 1.00 0.53 H new ATOM 0 HB2 CYS A 12 6.230 -7.539 -7.180 1.00 0.51 H new ATOM 0 HB3 CYS A 12 5.703 -7.900 -8.812 1.00 0.51 H new ATOM 169 N GLY A 13 4.060 -9.176 -5.781 1.00 0.51 N ATOM 170 CA GLY A 13 3.949 -10.549 -5.322 1.00 0.55 C ATOM 171 C GLY A 13 5.257 -11.299 -5.475 1.00 0.54 C ATOM 172 O GLY A 13 5.315 -12.515 -5.300 1.00 0.61 O ATOM 0 H GLY A 13 4.272 -8.495 -5.052 1.00 0.51 H new ATOM 0 HA2 GLY A 13 3.644 -10.559 -4.276 1.00 0.55 H new ATOM 0 HA3 GLY A 13 3.169 -11.059 -5.887 1.00 0.55 H new ATOM 176 N ASP A 14 6.309 -10.563 -5.807 1.00 0.49 N ATOM 177 CA ASP A 14 7.627 -11.146 -6.010 1.00 0.49 C ATOM 178 C ASP A 14 8.655 -10.414 -5.163 1.00 0.38 C ATOM 179 O ASP A 14 8.454 -9.256 -4.792 1.00 0.32 O ATOM 180 CB ASP A 14 8.028 -11.079 -7.487 1.00 0.55 C ATOM 181 CG ASP A 14 7.228 -12.030 -8.358 1.00 0.72 C ATOM 182 OD1 ASP A 14 6.287 -11.575 -9.043 1.00 0.81 O ATOM 183 OD2 ASP A 14 7.533 -13.242 -8.362 1.00 0.85 O ATOM 0 H ASP A 14 6.273 -9.553 -5.942 1.00 0.49 H new ATOM 0 HA ASP A 14 7.590 -12.193 -5.708 1.00 0.49 H new ATOM 0 HB2 ASP A 14 7.892 -10.060 -7.850 1.00 0.55 H new ATOM 0 HB3 ASP A 14 9.089 -11.312 -7.582 1.00 0.55 H new ATOM 188 N ALA A 15 9.742 -11.095 -4.851 1.00 0.41 N ATOM 189 CA ALA A 15 10.807 -10.517 -4.052 1.00 0.36 C ATOM 190 C ALA A 15 11.985 -10.122 -4.931 1.00 0.40 C ATOM 191 O ALA A 15 12.151 -10.644 -6.034 1.00 0.47 O ATOM 192 CB ALA A 15 11.247 -11.484 -2.968 1.00 0.42 C ATOM 0 H ALA A 15 9.911 -12.058 -5.142 1.00 0.41 H new ATOM 0 HA ALA A 15 10.424 -9.617 -3.572 1.00 0.36 H new ATOM 0 HB1 ALA A 15 12.046 -11.032 -2.380 1.00 0.42 H new ATOM 0 HB2 ALA A 15 10.402 -11.711 -2.318 1.00 0.42 H new ATOM 0 HB3 ALA A 15 11.610 -12.404 -3.426 1.00 0.42 H new ATOM 198 N GLY A 16 12.790 -9.197 -4.437 1.00 0.40 N ATOM 199 CA GLY A 16 13.895 -8.669 -5.208 1.00 0.48 C ATOM 200 C GLY A 16 14.510 -7.463 -4.531 1.00 0.49 C ATOM 201 O GLY A 16 14.694 -7.467 -3.312 1.00 1.04 O ATOM 0 H GLY A 16 12.696 -8.797 -3.503 1.00 0.40 H new ATOM 0 HA2 GLY A 16 14.653 -9.442 -5.338 1.00 0.48 H new ATOM 0 HA3 GLY A 16 13.548 -8.392 -6.203 1.00 0.48 H new ATOM 205 N GLN A 17 14.825 -6.434 -5.306 1.00 0.52 N ATOM 206 CA GLN A 17 15.327 -5.182 -4.753 1.00 0.49 C ATOM 207 C GLN A 17 14.201 -4.446 -4.038 1.00 0.39 C ATOM 208 O GLN A 17 13.477 -3.651 -4.643 1.00 0.41 O ATOM 209 CB GLN A 17 15.912 -4.298 -5.857 1.00 0.61 C ATOM 210 CG GLN A 17 16.465 -2.976 -5.347 1.00 0.67 C ATOM 211 CD GLN A 17 16.955 -2.069 -6.462 1.00 0.93 C ATOM 212 OE1 GLN A 17 16.326 -2.159 -7.622 1.00 1.56 O flip ATOM 213 NE2 GLN A 17 17.884 -1.283 -6.277 1.00 1.52 N flip ATOM 0 H GLN A 17 14.742 -6.441 -6.323 1.00 0.52 H new ATOM 0 HA GLN A 17 16.119 -5.410 -4.040 1.00 0.49 H new ATOM 0 HB2 GLN A 17 16.707 -4.844 -6.365 1.00 0.61 H new ATOM 0 HB3 GLN A 17 15.139 -4.097 -6.599 1.00 0.61 H new ATOM 0 HG2 GLN A 17 15.691 -2.459 -4.779 1.00 0.67 H new ATOM 0 HG3 GLN A 17 17.287 -3.173 -4.659 1.00 0.67 H new ATOM 0 HE21 GLN A 17 18.345 -1.243 -5.368 1.00 1.52 H new ATOM 0 HE22 GLN A 17 18.193 -0.672 -7.033 1.00 1.52 H new ATOM 222 N LEU A 18 14.048 -4.729 -2.757 1.00 0.34 N ATOM 223 CA LEU A 18 12.961 -4.162 -1.987 1.00 0.27 C ATOM 224 C LEU A 18 13.433 -2.989 -1.141 1.00 0.31 C ATOM 225 O LEU A 18 14.503 -3.030 -0.531 1.00 0.42 O ATOM 226 CB LEU A 18 12.330 -5.230 -1.093 1.00 0.24 C ATOM 227 CG LEU A 18 11.745 -6.432 -1.831 1.00 0.21 C ATOM 228 CD1 LEU A 18 11.395 -7.541 -0.861 1.00 0.25 C ATOM 229 CD2 LEU A 18 10.519 -6.021 -2.623 1.00 0.17 C ATOM 0 H LEU A 18 14.664 -5.348 -2.230 1.00 0.34 H new ATOM 0 HA LEU A 18 12.213 -3.794 -2.689 1.00 0.27 H new ATOM 0 HB2 LEU A 18 13.085 -5.586 -0.392 1.00 0.24 H new ATOM 0 HB3 LEU A 18 11.540 -4.766 -0.503 1.00 0.24 H new ATOM 0 HG LEU A 18 12.500 -6.807 -2.522 1.00 0.21 H new ATOM 0 HD11 LEU A 18 10.980 -8.387 -1.409 1.00 0.25 H new ATOM 0 HD12 LEU A 18 12.293 -7.858 -0.331 1.00 0.25 H new ATOM 0 HD13 LEU A 18 10.659 -7.178 -0.143 1.00 0.25 H new ATOM 0 HD21 LEU A 18 10.114 -6.889 -3.143 1.00 0.17 H new ATOM 0 HD22 LEU A 18 9.765 -5.620 -1.945 1.00 0.17 H new ATOM 0 HD23 LEU A 18 10.795 -5.258 -3.351 1.00 0.17 H new ATOM 241 N VAL A 19 12.627 -1.945 -1.122 1.00 0.29 N ATOM 242 CA VAL A 19 12.858 -0.795 -0.272 1.00 0.32 C ATOM 243 C VAL A 19 11.743 -0.718 0.766 1.00 0.30 C ATOM 244 O VAL A 19 10.560 -0.782 0.426 1.00 0.27 O ATOM 245 CB VAL A 19 12.942 0.520 -1.094 1.00 0.36 C ATOM 246 CG1 VAL A 19 11.747 0.675 -2.029 1.00 0.34 C ATOM 247 CG2 VAL A 19 13.066 1.729 -0.176 1.00 0.42 C ATOM 0 H VAL A 19 11.789 -1.871 -1.699 1.00 0.29 H new ATOM 0 HA VAL A 19 13.819 -0.914 0.228 1.00 0.32 H new ATOM 0 HB VAL A 19 13.839 0.462 -1.710 1.00 0.36 H new ATOM 0 HG11 VAL A 19 11.840 1.606 -2.588 1.00 0.34 H new ATOM 0 HG12 VAL A 19 11.718 -0.164 -2.724 1.00 0.34 H new ATOM 0 HG13 VAL A 19 10.827 0.693 -1.444 1.00 0.34 H new ATOM 0 HG21 VAL A 19 13.123 2.637 -0.776 1.00 0.42 H new ATOM 0 HG22 VAL A 19 12.195 1.780 0.478 1.00 0.42 H new ATOM 0 HG23 VAL A 19 13.968 1.636 0.428 1.00 0.42 H new ATOM 257 N SER A 20 12.122 -0.617 2.029 1.00 0.34 N ATOM 258 CA SER A 20 11.154 -0.657 3.112 1.00 0.33 C ATOM 259 C SER A 20 10.745 0.744 3.532 1.00 0.33 C ATOM 260 O SER A 20 11.544 1.684 3.489 1.00 0.35 O ATOM 261 CB SER A 20 11.724 -1.430 4.304 1.00 0.39 C ATOM 262 OG SER A 20 10.794 -1.503 5.374 1.00 0.47 O ATOM 0 H SER A 20 13.091 -0.507 2.329 1.00 0.34 H new ATOM 0 HA SER A 20 10.263 -1.172 2.753 1.00 0.33 H new ATOM 0 HB2 SER A 20 11.996 -2.437 3.988 1.00 0.39 H new ATOM 0 HB3 SER A 20 12.638 -0.946 4.648 1.00 0.39 H new ATOM 0 HG SER A 20 11.243 -1.270 6.214 1.00 0.47 H new ATOM 268 N CYS A 21 9.489 0.861 3.940 1.00 0.33 N ATOM 269 CA CYS A 21 8.927 2.120 4.396 1.00 0.35 C ATOM 270 C CYS A 21 9.686 2.599 5.630 1.00 0.40 C ATOM 271 O CYS A 21 9.861 1.838 6.584 1.00 0.43 O ATOM 272 CB CYS A 21 7.444 1.919 4.723 1.00 0.37 C ATOM 273 SG CYS A 21 6.474 3.436 4.841 1.00 0.34 S ATOM 0 H CYS A 21 8.831 0.082 3.963 1.00 0.33 H new ATOM 0 HA CYS A 21 9.019 2.875 3.615 1.00 0.35 H new ATOM 0 HB2 CYS A 21 7.002 1.282 3.957 1.00 0.37 H new ATOM 0 HB3 CYS A 21 7.366 1.382 5.668 1.00 0.37 H new ATOM 278 N LYS A 22 10.124 3.854 5.627 1.00 0.52 N ATOM 279 CA LYS A 22 10.951 4.376 6.710 1.00 0.61 C ATOM 280 C LYS A 22 10.069 4.879 7.858 1.00 0.63 C ATOM 281 O LYS A 22 10.464 5.734 8.651 1.00 0.78 O ATOM 282 CB LYS A 22 11.850 5.503 6.183 1.00 0.74 C ATOM 283 CG LYS A 22 12.996 5.882 7.115 1.00 1.35 C ATOM 284 CD LYS A 22 14.004 4.751 7.274 1.00 1.65 C ATOM 285 CE LYS A 22 14.744 4.462 5.974 1.00 2.25 C ATOM 286 NZ LYS A 22 15.738 3.365 6.131 1.00 2.79 N ATOM 0 H LYS A 22 9.921 4.527 4.888 1.00 0.52 H new ATOM 0 HA LYS A 22 11.584 3.575 7.092 1.00 0.61 H new ATOM 0 HB2 LYS A 22 12.265 5.201 5.221 1.00 0.74 H new ATOM 0 HB3 LYS A 22 11.237 6.386 6.003 1.00 0.74 H new ATOM 0 HG2 LYS A 22 13.502 6.766 6.726 1.00 1.35 H new ATOM 0 HG3 LYS A 22 12.594 6.149 8.092 1.00 1.35 H new ATOM 0 HD2 LYS A 22 14.723 5.012 8.051 1.00 1.65 H new ATOM 0 HD3 LYS A 22 13.489 3.850 7.607 1.00 1.65 H new ATOM 0 HE2 LYS A 22 14.026 4.192 5.200 1.00 2.25 H new ATOM 0 HE3 LYS A 22 15.252 5.366 5.637 1.00 2.25 H new ATOM 0 HZ1 LYS A 22 16.219 3.200 5.224 1.00 2.79 H new ATOM 0 HZ2 LYS A 22 16.439 3.632 6.851 1.00 2.79 H new ATOM 0 HZ3 LYS A 22 15.251 2.495 6.428 1.00 2.79 H new ATOM 300 N LYS A 23 8.864 4.340 7.934 1.00 0.60 N ATOM 301 CA LYS A 23 7.929 4.709 8.978 1.00 0.66 C ATOM 302 C LYS A 23 7.622 3.494 9.849 1.00 0.65 C ATOM 303 O LYS A 23 7.365 2.402 9.329 1.00 0.61 O ATOM 304 CB LYS A 23 6.646 5.262 8.352 1.00 0.75 C ATOM 305 CG LYS A 23 5.775 6.034 9.331 1.00 1.23 C ATOM 306 CD LYS A 23 4.679 6.804 8.615 1.00 1.50 C ATOM 307 CE LYS A 23 3.947 7.741 9.561 1.00 1.95 C ATOM 308 NZ LYS A 23 2.985 8.606 8.836 1.00 2.27 N ATOM 0 H LYS A 23 8.511 3.642 7.280 1.00 0.60 H new ATOM 0 HA LYS A 23 8.371 5.483 9.605 1.00 0.66 H new ATOM 0 HB2 LYS A 23 6.910 5.915 7.520 1.00 0.75 H new ATOM 0 HB3 LYS A 23 6.068 4.436 7.938 1.00 0.75 H new ATOM 0 HG2 LYS A 23 5.328 5.342 10.045 1.00 1.23 H new ATOM 0 HG3 LYS A 23 6.394 6.726 9.902 1.00 1.23 H new ATOM 0 HD2 LYS A 23 5.112 7.378 7.796 1.00 1.50 H new ATOM 0 HD3 LYS A 23 3.970 6.104 8.174 1.00 1.50 H new ATOM 0 HE2 LYS A 23 3.417 7.158 10.314 1.00 1.95 H new ATOM 0 HE3 LYS A 23 4.670 8.363 10.090 1.00 1.95 H new ATOM 0 HZ1 LYS A 23 2.604 9.322 9.487 1.00 2.27 H new ATOM 0 HZ2 LYS A 23 3.470 9.079 8.046 1.00 2.27 H new ATOM 0 HZ3 LYS A 23 2.206 8.025 8.466 1.00 2.27 H new ATOM 322 N PRO A 24 7.666 3.657 11.182 1.00 0.77 N ATOM 323 CA PRO A 24 7.422 2.559 12.122 1.00 0.83 C ATOM 324 C PRO A 24 5.979 2.069 12.066 1.00 0.80 C ATOM 325 O PRO A 24 5.066 2.836 11.755 1.00 0.86 O ATOM 326 CB PRO A 24 7.729 3.179 13.490 1.00 1.01 C ATOM 327 CG PRO A 24 7.524 4.640 13.299 1.00 1.18 C ATOM 328 CD PRO A 24 7.943 4.928 11.882 1.00 0.93 C ATOM 0 HA PRO A 24 8.031 1.684 11.897 1.00 0.83 H new ATOM 0 HB2 PRO A 24 7.067 2.784 14.261 1.00 1.01 H new ATOM 0 HB3 PRO A 24 8.750 2.960 13.803 1.00 1.01 H new ATOM 0 HG2 PRO A 24 6.482 4.914 13.462 1.00 1.18 H new ATOM 0 HG3 PRO A 24 8.120 5.215 14.008 1.00 1.18 H new ATOM 0 HD2 PRO A 24 7.376 5.755 11.455 1.00 0.93 H new ATOM 0 HD3 PRO A 24 8.997 5.200 11.821 1.00 0.93 H new ATOM 336 N GLY A 25 5.776 0.791 12.352 1.00 0.76 N ATOM 337 CA GLY A 25 4.441 0.221 12.306 1.00 0.75 C ATOM 338 C GLY A 25 4.091 -0.312 10.929 1.00 0.65 C ATOM 339 O GLY A 25 3.252 -1.205 10.795 1.00 0.83 O ATOM 0 H GLY A 25 6.512 0.136 12.616 1.00 0.76 H new ATOM 0 HA2 GLY A 25 4.367 -0.586 13.035 1.00 0.75 H new ATOM 0 HA3 GLY A 25 3.714 0.980 12.595 1.00 0.75 H new ATOM 343 N CYS A 26 4.740 0.235 9.912 1.00 0.48 N ATOM 344 CA CYS A 26 4.505 -0.162 8.531 1.00 0.39 C ATOM 345 C CYS A 26 5.532 -1.209 8.114 1.00 0.34 C ATOM 346 O CYS A 26 6.701 -0.884 7.894 1.00 0.40 O ATOM 347 CB CYS A 26 4.614 1.067 7.631 1.00 0.44 C ATOM 348 SG CYS A 26 4.033 0.837 5.934 1.00 0.35 S ATOM 0 H CYS A 26 5.444 0.966 10.020 1.00 0.48 H new ATOM 0 HA CYS A 26 3.508 -0.592 8.437 1.00 0.39 H new ATOM 0 HB2 CYS A 26 4.047 1.880 8.084 1.00 0.44 H new ATOM 0 HB3 CYS A 26 5.657 1.383 7.601 1.00 0.44 H new ATOM 353 N PRO A 27 5.119 -2.478 8.009 1.00 0.37 N ATOM 354 CA PRO A 27 6.020 -3.575 7.684 1.00 0.45 C ATOM 355 C PRO A 27 6.105 -3.859 6.186 1.00 0.45 C ATOM 356 O PRO A 27 6.822 -4.761 5.762 1.00 0.66 O ATOM 357 CB PRO A 27 5.358 -4.745 8.410 1.00 0.57 C ATOM 358 CG PRO A 27 3.891 -4.467 8.304 1.00 0.57 C ATOM 359 CD PRO A 27 3.740 -2.961 8.229 1.00 0.44 C ATOM 0 HA PRO A 27 7.050 -3.370 7.976 1.00 0.45 H new ATOM 0 HB2 PRO A 27 5.616 -5.697 7.947 1.00 0.57 H new ATOM 0 HB3 PRO A 27 5.678 -4.799 9.451 1.00 0.57 H new ATOM 0 HG2 PRO A 27 3.469 -4.943 7.419 1.00 0.57 H new ATOM 0 HG3 PRO A 27 3.357 -4.867 9.166 1.00 0.57 H new ATOM 0 HD2 PRO A 27 3.078 -2.666 7.415 1.00 0.44 H new ATOM 0 HD3 PRO A 27 3.316 -2.555 9.148 1.00 0.44 H new ATOM 367 N LYS A 28 5.393 -3.080 5.386 1.00 0.30 N ATOM 368 CA LYS A 28 5.270 -3.382 3.964 1.00 0.30 C ATOM 369 C LYS A 28 6.485 -2.905 3.178 1.00 0.27 C ATOM 370 O LYS A 28 7.080 -1.867 3.487 1.00 0.31 O ATOM 371 CB LYS A 28 3.976 -2.788 3.393 1.00 0.32 C ATOM 372 CG LYS A 28 2.981 -3.848 2.925 1.00 0.42 C ATOM 373 CD LYS A 28 2.714 -4.884 4.011 1.00 0.52 C ATOM 374 CE LYS A 28 1.719 -5.936 3.553 1.00 0.70 C ATOM 375 NZ LYS A 28 1.603 -7.047 4.535 1.00 1.00 N ATOM 0 H LYS A 28 4.896 -2.243 5.690 1.00 0.30 H new ATOM 0 HA LYS A 28 5.224 -4.466 3.860 1.00 0.30 H new ATOM 0 HB2 LYS A 28 3.503 -2.166 4.153 1.00 0.32 H new ATOM 0 HB3 LYS A 28 4.222 -2.136 2.555 1.00 0.32 H new ATOM 0 HG2 LYS A 28 2.044 -3.369 2.640 1.00 0.42 H new ATOM 0 HG3 LYS A 28 3.368 -4.344 2.035 1.00 0.42 H new ATOM 0 HD2 LYS A 28 3.650 -5.367 4.291 1.00 0.52 H new ATOM 0 HD3 LYS A 28 2.333 -4.386 4.903 1.00 0.52 H new ATOM 0 HE2 LYS A 28 0.742 -5.475 3.408 1.00 0.70 H new ATOM 0 HE3 LYS A 28 2.029 -6.335 2.587 1.00 0.70 H new ATOM 0 HZ1 LYS A 28 0.915 -7.746 4.189 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 2.530 -7.503 4.654 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 1.283 -6.670 5.450 1.00 1.00 H new ATOM 389 N VAL A 29 6.838 -3.675 2.155 1.00 0.23 N ATOM 390 CA VAL A 29 8.034 -3.422 1.371 1.00 0.20 C ATOM 391 C VAL A 29 7.706 -3.550 -0.122 1.00 0.18 C ATOM 392 O VAL A 29 6.789 -4.284 -0.503 1.00 0.21 O ATOM 393 CB VAL A 29 9.160 -4.404 1.769 1.00 0.22 C ATOM 394 CG1 VAL A 29 8.982 -5.761 1.117 1.00 0.31 C ATOM 395 CG2 VAL A 29 10.524 -3.830 1.456 1.00 0.44 C ATOM 0 H VAL A 29 6.304 -4.488 1.849 1.00 0.23 H new ATOM 0 HA VAL A 29 8.385 -2.409 1.571 1.00 0.20 H new ATOM 0 HB VAL A 29 9.092 -4.548 2.847 1.00 0.22 H new ATOM 0 HG11 VAL A 29 9.794 -6.421 1.423 1.00 0.31 H new ATOM 0 HG12 VAL A 29 8.029 -6.191 1.426 1.00 0.31 H new ATOM 0 HG13 VAL A 29 8.995 -5.648 0.033 1.00 0.31 H new ATOM 0 HG21 VAL A 29 11.295 -4.544 1.747 1.00 0.44 H new ATOM 0 HG22 VAL A 29 10.599 -3.631 0.387 1.00 0.44 H new ATOM 0 HG23 VAL A 29 10.663 -2.901 2.008 1.00 0.44 H new ATOM 405 N TYR A 30 8.438 -2.827 -0.959 1.00 0.19 N ATOM 406 CA TYR A 30 8.144 -2.774 -2.391 1.00 0.20 C ATOM 407 C TYR A 30 9.439 -2.651 -3.178 1.00 0.20 C ATOM 408 O TYR A 30 10.487 -2.382 -2.607 1.00 0.21 O ATOM 409 CB TYR A 30 7.269 -1.558 -2.724 1.00 0.29 C ATOM 410 CG TYR A 30 6.085 -1.339 -1.805 1.00 0.37 C ATOM 411 CD1 TYR A 30 4.876 -1.984 -2.037 1.00 0.44 C ATOM 412 CD2 TYR A 30 6.177 -0.502 -0.699 1.00 0.47 C ATOM 413 CE1 TYR A 30 3.797 -1.803 -1.199 1.00 0.55 C ATOM 414 CE2 TYR A 30 5.100 -0.315 0.144 1.00 0.57 C ATOM 415 CZ TYR A 30 3.911 -0.907 -0.128 1.00 0.60 C ATOM 416 OH TYR A 30 2.840 -0.791 0.730 1.00 0.72 O ATOM 0 H TYR A 30 9.242 -2.267 -0.674 1.00 0.19 H new ATOM 0 HA TYR A 30 7.616 -3.689 -2.658 1.00 0.20 H new ATOM 0 HB2 TYR A 30 7.894 -0.665 -2.703 1.00 0.29 H new ATOM 0 HB3 TYR A 30 6.901 -1.665 -3.744 1.00 0.29 H new ATOM 0 HD1 TYR A 30 4.780 -2.639 -2.890 1.00 0.44 H new ATOM 0 HD2 TYR A 30 7.106 0.010 -0.496 1.00 0.47 H new ATOM 0 HE1 TYR A 30 2.877 -2.344 -1.365 1.00 0.55 H new ATOM 0 HE2 TYR A 30 5.205 0.304 1.022 1.00 0.57 H new ATOM 0 HH TYR A 30 3.050 -0.137 1.429 1.00 0.72 H new ATOM 426 N HIS A 31 9.367 -2.849 -4.486 1.00 0.23 N ATOM 427 CA HIS A 31 10.509 -2.580 -5.353 1.00 0.26 C ATOM 428 C HIS A 31 10.526 -1.102 -5.677 1.00 0.32 C ATOM 429 O HIS A 31 9.475 -0.475 -5.794 1.00 0.35 O ATOM 430 CB HIS A 31 10.441 -3.357 -6.676 1.00 0.28 C ATOM 431 CG HIS A 31 10.277 -4.831 -6.535 1.00 0.26 C ATOM 432 ND1 HIS A 31 9.178 -5.474 -7.041 1.00 0.30 N ATOM 433 CD2 HIS A 31 11.099 -5.735 -5.961 1.00 0.26 C ATOM 434 CE1 HIS A 31 9.347 -6.756 -6.763 1.00 0.31 C ATOM 435 NE2 HIS A 31 10.505 -6.966 -6.109 1.00 0.28 N ATOM 0 H HIS A 31 8.537 -3.192 -4.969 1.00 0.23 H new ATOM 0 HA HIS A 31 11.408 -2.895 -4.823 1.00 0.26 H new ATOM 0 HB2 HIS A 31 9.610 -2.969 -7.265 1.00 0.28 H new ATOM 0 HB3 HIS A 31 11.352 -3.161 -7.242 1.00 0.28 H new ATOM 0 HD2 HIS A 31 12.043 -5.530 -5.478 1.00 0.26 H new ATOM 0 HE1 HIS A 31 8.646 -7.534 -7.027 1.00 0.31 H new ATOM 0 HE2 HIS A 31 10.870 -7.862 -5.787 1.00 0.28 H new ATOM 443 N ALA A 32 11.709 -0.546 -5.826 1.00 0.38 N ATOM 444 CA ALA A 32 11.836 0.846 -6.200 1.00 0.45 C ATOM 445 C ALA A 32 11.301 1.074 -7.613 1.00 0.48 C ATOM 446 O ALA A 32 10.760 2.134 -7.919 1.00 0.55 O ATOM 447 CB ALA A 32 13.284 1.291 -6.085 1.00 0.53 C ATOM 0 H ALA A 32 12.594 -1.035 -5.694 1.00 0.38 H new ATOM 0 HA ALA A 32 11.239 1.449 -5.516 1.00 0.45 H new ATOM 0 HB1 ALA A 32 13.366 2.340 -6.369 1.00 0.53 H new ATOM 0 HB2 ALA A 32 13.622 1.166 -5.056 1.00 0.53 H new ATOM 0 HB3 ALA A 32 13.904 0.686 -6.747 1.00 0.53 H new ATOM 453 N ASP A 33 11.443 0.066 -8.468 1.00 0.48 N ATOM 454 CA ASP A 33 11.017 0.181 -9.863 1.00 0.55 C ATOM 455 C ASP A 33 9.499 0.303 -9.998 1.00 0.54 C ATOM 456 O ASP A 33 9.008 1.188 -10.698 1.00 0.62 O ATOM 457 CB ASP A 33 11.515 -0.999 -10.697 1.00 0.60 C ATOM 458 CG ASP A 33 11.144 -0.841 -12.158 1.00 1.35 C ATOM 459 OD1 ASP A 33 10.183 -1.498 -12.609 1.00 1.90 O ATOM 460 OD2 ASP A 33 11.803 -0.038 -12.856 1.00 2.01 O ATOM 0 H ASP A 33 11.848 -0.837 -8.223 1.00 0.48 H new ATOM 0 HA ASP A 33 11.465 1.099 -10.243 1.00 0.55 H new ATOM 0 HB2 ASP A 33 12.598 -1.082 -10.602 1.00 0.60 H new ATOM 0 HB3 ASP A 33 11.089 -1.925 -10.310 1.00 0.60 H new ATOM 465 N CYS A 34 8.756 -0.570 -9.321 1.00 0.48 N ATOM 466 CA CYS A 34 7.300 -0.595 -9.459 1.00 0.52 C ATOM 467 C CYS A 34 6.672 0.651 -8.834 1.00 0.56 C ATOM 468 O CYS A 34 5.537 1.013 -9.145 1.00 0.67 O ATOM 469 CB CYS A 34 6.728 -1.874 -8.828 1.00 0.50 C ATOM 470 SG CYS A 34 7.518 -2.339 -7.270 1.00 0.44 S ATOM 0 H CYS A 34 9.133 -1.264 -8.676 1.00 0.48 H new ATOM 0 HA CYS A 34 7.053 -0.595 -10.521 1.00 0.52 H new ATOM 0 HB2 CYS A 34 5.661 -1.736 -8.656 1.00 0.50 H new ATOM 0 HB3 CYS A 34 6.833 -2.695 -9.537 1.00 0.50 H new ATOM 475 N LEU A 35 7.427 1.309 -7.966 1.00 0.52 N ATOM 476 CA LEU A 35 6.987 2.554 -7.350 1.00 0.58 C ATOM 477 C LEU A 35 7.396 3.758 -8.192 1.00 0.67 C ATOM 478 O LEU A 35 7.147 4.903 -7.815 1.00 0.74 O ATOM 479 CB LEU A 35 7.591 2.688 -5.957 1.00 0.55 C ATOM 480 CG LEU A 35 7.176 1.621 -4.949 1.00 0.49 C ATOM 481 CD1 LEU A 35 8.043 1.728 -3.712 1.00 0.48 C ATOM 482 CD2 LEU A 35 5.709 1.765 -4.580 1.00 0.54 C ATOM 0 H LEU A 35 8.353 1.000 -7.671 1.00 0.52 H new ATOM 0 HA LEU A 35 5.899 2.528 -7.281 1.00 0.58 H new ATOM 0 HB2 LEU A 35 8.677 2.671 -6.049 1.00 0.55 H new ATOM 0 HB3 LEU A 35 7.320 3.665 -5.556 1.00 0.55 H new ATOM 0 HG LEU A 35 7.313 0.639 -5.402 1.00 0.49 H new ATOM 0 HD11 LEU A 35 7.746 0.965 -2.992 1.00 0.48 H new ATOM 0 HD12 LEU A 35 9.088 1.581 -3.986 1.00 0.48 H new ATOM 0 HD13 LEU A 35 7.920 2.715 -3.266 1.00 0.48 H new ATOM 0 HD21 LEU A 35 5.437 0.993 -3.860 1.00 0.54 H new ATOM 0 HD22 LEU A 35 5.539 2.748 -4.140 1.00 0.54 H new ATOM 0 HD23 LEU A 35 5.096 1.658 -5.475 1.00 0.54 H new ATOM 494 N ASN A 36 8.042 3.484 -9.325 1.00 0.68 N ATOM 495 CA ASN A 36 8.531 4.523 -10.231 1.00 0.77 C ATOM 496 C ASN A 36 9.589 5.383 -9.535 1.00 0.78 C ATOM 497 O ASN A 36 9.742 6.573 -9.814 1.00 0.87 O ATOM 498 CB ASN A 36 7.369 5.387 -10.750 1.00 0.86 C ATOM 499 CG ASN A 36 7.785 6.350 -11.851 1.00 1.46 C ATOM 500 OD1 ASN A 36 8.723 6.088 -12.605 1.00 2.09 O ATOM 501 ND2 ASN A 36 7.082 7.468 -11.955 1.00 2.13 N ATOM 0 H ASN A 36 8.241 2.535 -9.641 1.00 0.68 H new ATOM 0 HA ASN A 36 8.996 4.041 -11.091 1.00 0.77 H new ATOM 0 HB2 ASN A 36 6.579 4.736 -11.125 1.00 0.86 H new ATOM 0 HB3 ASN A 36 6.947 5.954 -9.920 1.00 0.86 H new ATOM 0 HD21 ASN A 36 7.311 8.149 -12.679 1.00 2.13 H new ATOM 0 HD22 ASN A 36 6.312 7.648 -11.311 1.00 2.13 H new ATOM 508 N LEU A 37 10.330 4.766 -8.627 1.00 0.71 N ATOM 509 CA LEU A 37 11.394 5.453 -7.916 1.00 0.75 C ATOM 510 C LEU A 37 12.690 5.385 -8.710 1.00 0.83 C ATOM 511 O LEU A 37 13.620 4.661 -8.345 1.00 0.88 O ATOM 512 CB LEU A 37 11.607 4.855 -6.522 1.00 0.69 C ATOM 513 CG LEU A 37 10.472 5.081 -5.518 1.00 0.69 C ATOM 514 CD1 LEU A 37 10.832 4.480 -4.168 1.00 0.69 C ATOM 515 CD2 LEU A 37 10.172 6.564 -5.368 1.00 0.78 C ATOM 0 H LEU A 37 10.212 3.787 -8.365 1.00 0.71 H new ATOM 0 HA LEU A 37 11.097 6.495 -7.800 1.00 0.75 H new ATOM 0 HB2 LEU A 37 11.764 3.782 -6.628 1.00 0.69 H new ATOM 0 HB3 LEU A 37 12.524 5.272 -6.105 1.00 0.69 H new ATOM 0 HG LEU A 37 9.578 4.585 -5.897 1.00 0.69 H new ATOM 0 HD11 LEU A 37 10.016 4.649 -3.465 1.00 0.69 H new ATOM 0 HD12 LEU A 37 10.999 3.409 -4.280 1.00 0.69 H new ATOM 0 HD13 LEU A 37 11.739 4.951 -3.790 1.00 0.69 H new ATOM 0 HD21 LEU A 37 9.363 6.701 -4.650 1.00 0.78 H new ATOM 0 HD22 LEU A 37 11.063 7.081 -5.013 1.00 0.78 H new ATOM 0 HD23 LEU A 37 9.874 6.974 -6.333 1.00 0.78 H new ATOM 527 N THR A 38 12.733 6.111 -9.815 1.00 0.91 N ATOM 528 CA THR A 38 13.963 6.276 -10.570 1.00 1.03 C ATOM 529 C THR A 38 14.936 7.129 -9.758 1.00 1.04 C ATOM 530 O THR A 38 16.157 7.031 -9.899 1.00 1.14 O ATOM 531 CB THR A 38 13.682 6.946 -11.926 1.00 1.16 C ATOM 532 OG1 THR A 38 12.463 6.424 -12.477 1.00 1.43 O ATOM 533 CG2 THR A 38 14.822 6.700 -12.901 1.00 1.59 C ATOM 0 H THR A 38 11.927 6.597 -10.210 1.00 0.91 H new ATOM 0 HA THR A 38 14.400 5.296 -10.759 1.00 1.03 H new ATOM 0 HB THR A 38 13.588 8.020 -11.765 1.00 1.16 H new ATOM 0 HG1 THR A 38 12.284 6.853 -13.340 1.00 1.43 H new ATOM 0 HG21 THR A 38 14.599 7.184 -13.852 1.00 1.59 H new ATOM 0 HG22 THR A 38 15.745 7.111 -12.493 1.00 1.59 H new ATOM 0 HG23 THR A 38 14.941 5.628 -13.059 1.00 1.59 H new ATOM 541 N LYS A 39 14.367 7.957 -8.893 1.00 0.99 N ATOM 542 CA LYS A 39 15.141 8.768 -7.972 1.00 1.02 C ATOM 543 C LYS A 39 15.228 8.052 -6.633 1.00 0.94 C ATOM 544 O LYS A 39 14.338 7.278 -6.281 1.00 0.96 O ATOM 545 CB LYS A 39 14.488 10.141 -7.784 1.00 1.12 C ATOM 546 CG LYS A 39 14.330 10.934 -9.077 1.00 1.57 C ATOM 547 CD LYS A 39 15.672 11.320 -9.677 1.00 1.98 C ATOM 548 CE LYS A 39 16.435 12.286 -8.782 1.00 2.58 C ATOM 549 NZ LYS A 39 15.679 13.544 -8.544 1.00 3.17 N ATOM 0 H LYS A 39 13.358 8.083 -8.812 1.00 0.99 H new ATOM 0 HA LYS A 39 16.141 8.916 -8.380 1.00 1.02 H new ATOM 0 HB2 LYS A 39 13.506 10.006 -7.330 1.00 1.12 H new ATOM 0 HB3 LYS A 39 15.086 10.724 -7.083 1.00 1.12 H new ATOM 0 HG2 LYS A 39 13.767 10.342 -9.799 1.00 1.57 H new ATOM 0 HG3 LYS A 39 13.748 11.835 -8.881 1.00 1.57 H new ATOM 0 HD2 LYS A 39 16.270 10.423 -9.837 1.00 1.98 H new ATOM 0 HD3 LYS A 39 15.515 11.777 -10.654 1.00 1.98 H new ATOM 0 HE2 LYS A 39 16.647 11.805 -7.827 1.00 2.58 H new ATOM 0 HE3 LYS A 39 17.396 12.522 -9.240 1.00 2.58 H new ATOM 0 HZ1 LYS A 39 16.306 14.249 -8.107 1.00 3.17 H new ATOM 0 HZ2 LYS A 39 15.323 13.912 -9.449 1.00 3.17 H new ATOM 0 HZ3 LYS A 39 14.878 13.353 -7.909 1.00 3.17 H new ATOM 563 N ARG A 40 16.293 8.294 -5.893 1.00 0.97 N ATOM 564 CA ARG A 40 16.479 7.638 -4.611 1.00 0.95 C ATOM 565 C ARG A 40 16.041 8.555 -3.472 1.00 0.91 C ATOM 566 O ARG A 40 16.637 9.610 -3.253 1.00 1.01 O ATOM 567 CB ARG A 40 17.942 7.218 -4.436 1.00 1.10 C ATOM 568 CG ARG A 40 18.256 6.659 -3.058 1.00 1.80 C ATOM 569 CD ARG A 40 19.621 5.994 -3.021 1.00 1.93 C ATOM 570 NE ARG A 40 19.643 4.742 -3.777 1.00 2.49 N ATOM 571 CZ ARG A 40 20.745 4.034 -4.017 1.00 2.88 C ATOM 572 NH1 ARG A 40 21.928 4.478 -3.610 1.00 2.66 N ATOM 573 NH2 ARG A 40 20.667 2.883 -4.672 1.00 3.84 N ATOM 0 H ARG A 40 17.040 8.937 -6.155 1.00 0.97 H new ATOM 0 HA ARG A 40 15.858 6.743 -4.585 1.00 0.95 H new ATOM 0 HB2 ARG A 40 18.188 6.468 -5.187 1.00 1.10 H new ATOM 0 HB3 ARG A 40 18.583 8.079 -4.624 1.00 1.10 H new ATOM 0 HG2 ARG A 40 18.222 7.463 -2.323 1.00 1.80 H new ATOM 0 HG3 ARG A 40 17.491 5.936 -2.775 1.00 1.80 H new ATOM 0 HD2 ARG A 40 20.367 6.676 -3.428 1.00 1.93 H new ATOM 0 HD3 ARG A 40 19.900 5.797 -1.986 1.00 1.93 H new ATOM 0 HE ARG A 40 18.759 4.389 -4.143 1.00 2.49 H new ATOM 0 HH11 ARG A 40 21.996 5.365 -3.111 1.00 2.66 H new ATOM 0 HH12 ARG A 40 22.769 3.932 -3.796 1.00 2.66 H new ATOM 0 HH21 ARG A 40 19.762 2.539 -4.993 1.00 3.84 H new ATOM 0 HH22 ARG A 40 21.512 2.342 -4.855 1.00 3.84 H new ATOM 587 N PRO A 41 14.977 8.181 -2.744 1.00 0.85 N ATOM 588 CA PRO A 41 14.511 8.950 -1.591 1.00 0.87 C ATOM 589 C PRO A 41 15.479 8.835 -0.419 1.00 0.96 C ATOM 590 O PRO A 41 15.978 7.750 -0.121 1.00 1.05 O ATOM 591 CB PRO A 41 13.164 8.309 -1.250 1.00 0.88 C ATOM 592 CG PRO A 41 13.266 6.914 -1.759 1.00 0.96 C ATOM 593 CD PRO A 41 14.143 6.985 -2.986 1.00 0.86 C ATOM 0 HA PRO A 41 14.434 10.016 -1.803 1.00 0.87 H new ATOM 0 HB2 PRO A 41 12.979 8.325 -0.176 1.00 0.88 H new ATOM 0 HB3 PRO A 41 12.341 8.844 -1.724 1.00 0.88 H new ATOM 0 HG2 PRO A 41 13.699 6.254 -1.007 1.00 0.96 H new ATOM 0 HG3 PRO A 41 12.282 6.515 -2.005 1.00 0.96 H new ATOM 0 HD2 PRO A 41 14.751 6.087 -3.097 1.00 0.86 H new ATOM 0 HD3 PRO A 41 13.552 7.085 -3.897 1.00 0.86 H new ATOM 601 N ALA A 42 15.756 9.951 0.232 1.00 1.05 N ATOM 602 CA ALA A 42 16.703 9.969 1.331 1.00 1.18 C ATOM 603 C ALA A 42 16.007 10.318 2.640 1.00 1.15 C ATOM 604 O ALA A 42 15.104 11.156 2.664 1.00 1.21 O ATOM 605 CB ALA A 42 17.820 10.958 1.043 1.00 1.41 C ATOM 0 H ALA A 42 15.338 10.857 0.018 1.00 1.05 H new ATOM 0 HA ALA A 42 17.133 8.973 1.432 1.00 1.18 H new ATOM 0 HB1 ALA A 42 18.525 10.963 1.874 1.00 1.41 H new ATOM 0 HB2 ALA A 42 18.338 10.666 0.130 1.00 1.41 H new ATOM 0 HB3 ALA A 42 17.399 11.956 0.918 1.00 1.41 H new ATOM 611 N GLY A 43 16.413 9.665 3.717 1.00 1.17 N ATOM 612 CA GLY A 43 15.854 9.973 5.016 1.00 1.18 C ATOM 613 C GLY A 43 14.555 9.244 5.264 1.00 1.04 C ATOM 614 O GLY A 43 14.477 8.025 5.110 1.00 1.12 O ATOM 0 H GLY A 43 17.118 8.928 3.715 1.00 1.17 H new ATOM 0 HA2 GLY A 43 16.572 9.707 5.791 1.00 1.18 H new ATOM 0 HA3 GLY A 43 15.686 11.047 5.092 1.00 1.18 H new ATOM 618 N LYS A 44 13.528 9.989 5.632 1.00 1.00 N ATOM 619 CA LYS A 44 12.238 9.398 5.932 1.00 0.92 C ATOM 620 C LYS A 44 11.387 9.318 4.677 1.00 0.80 C ATOM 621 O LYS A 44 10.927 10.332 4.153 1.00 0.84 O ATOM 622 CB LYS A 44 11.513 10.206 7.009 1.00 1.04 C ATOM 623 CG LYS A 44 12.284 10.295 8.316 1.00 1.53 C ATOM 624 CD LYS A 44 11.589 11.195 9.327 1.00 1.94 C ATOM 625 CE LYS A 44 11.524 12.640 8.852 1.00 2.69 C ATOM 626 NZ LYS A 44 12.876 13.204 8.590 1.00 3.46 N ATOM 0 H LYS A 44 13.563 11.004 5.730 1.00 1.00 H new ATOM 0 HA LYS A 44 12.404 8.388 6.308 1.00 0.92 H new ATOM 0 HB2 LYS A 44 11.328 11.213 6.635 1.00 1.04 H new ATOM 0 HB3 LYS A 44 10.540 9.753 7.199 1.00 1.04 H new ATOM 0 HG2 LYS A 44 12.399 9.297 8.738 1.00 1.53 H new ATOM 0 HG3 LYS A 44 13.286 10.676 8.120 1.00 1.53 H new ATOM 0 HD2 LYS A 44 10.579 10.826 9.507 1.00 1.94 H new ATOM 0 HD3 LYS A 44 12.119 11.149 10.278 1.00 1.94 H new ATOM 0 HE2 LYS A 44 10.926 12.696 7.942 1.00 2.69 H new ATOM 0 HE3 LYS A 44 11.018 13.246 9.604 1.00 2.69 H new ATOM 0 HZ1 LYS A 44 12.812 14.240 8.518 1.00 3.46 H new ATOM 0 HZ2 LYS A 44 13.515 12.950 9.370 1.00 3.46 H new ATOM 0 HZ3 LYS A 44 13.247 12.817 7.698 1.00 3.46 H new ATOM 640 N TRP A 45 11.204 8.108 4.186 1.00 0.72 N ATOM 641 CA TRP A 45 10.352 7.869 3.042 1.00 0.62 C ATOM 642 C TRP A 45 9.093 7.129 3.470 1.00 0.53 C ATOM 643 O TRP A 45 9.166 6.064 4.089 1.00 0.53 O ATOM 644 CB TRP A 45 11.098 7.070 1.970 1.00 0.62 C ATOM 645 CG TRP A 45 10.219 6.664 0.826 1.00 0.55 C ATOM 646 CD1 TRP A 45 9.766 7.464 -0.182 1.00 0.57 C ATOM 647 CD2 TRP A 45 9.678 5.361 0.579 1.00 0.48 C ATOM 648 NE1 TRP A 45 8.971 6.741 -1.036 1.00 0.51 N ATOM 649 CE2 TRP A 45 8.903 5.447 -0.591 1.00 0.46 C ATOM 650 CE3 TRP A 45 9.775 4.130 1.236 1.00 0.47 C ATOM 651 CZ2 TRP A 45 8.225 4.352 -1.117 1.00 0.43 C ATOM 652 CZ3 TRP A 45 9.102 3.041 0.711 1.00 0.44 C ATOM 653 CH2 TRP A 45 8.336 3.159 -0.454 1.00 0.42 C ATOM 0 H TRP A 45 11.640 7.268 4.568 1.00 0.72 H new ATOM 0 HA TRP A 45 10.068 8.832 2.617 1.00 0.62 H new ATOM 0 HB2 TRP A 45 11.927 7.667 1.590 1.00 0.62 H new ATOM 0 HB3 TRP A 45 11.530 6.178 2.424 1.00 0.62 H new ATOM 0 HD1 TRP A 45 9.999 8.513 -0.292 1.00 0.57 H new ATOM 0 HE1 TRP A 45 8.506 7.107 -1.867 1.00 0.51 H new ATOM 0 HE3 TRP A 45 10.364 4.031 2.136 1.00 0.47 H new ATOM 0 HZ2 TRP A 45 7.633 4.440 -2.016 1.00 0.43 H new ATOM 0 HZ3 TRP A 45 9.169 2.085 1.208 1.00 0.44 H new ATOM 0 HH2 TRP A 45 7.821 2.291 -0.838 1.00 0.42 H new ATOM 664 N GLU A 46 7.946 7.704 3.152 1.00 0.51 N ATOM 665 CA GLU A 46 6.672 7.083 3.457 1.00 0.48 C ATOM 666 C GLU A 46 6.074 6.467 2.197 1.00 0.39 C ATOM 667 O GLU A 46 6.019 7.113 1.147 1.00 0.42 O ATOM 668 CB GLU A 46 5.713 8.112 4.060 1.00 0.60 C ATOM 669 CG GLU A 46 6.156 8.616 5.424 1.00 1.17 C ATOM 670 CD GLU A 46 5.223 9.660 5.997 1.00 1.33 C ATOM 671 OE1 GLU A 46 5.562 10.861 5.940 1.00 1.73 O ATOM 672 OE2 GLU A 46 4.145 9.292 6.508 1.00 1.82 O ATOM 0 H GLU A 46 7.873 8.605 2.680 1.00 0.51 H new ATOM 0 HA GLU A 46 6.831 6.290 4.188 1.00 0.48 H new ATOM 0 HB2 GLU A 46 5.623 8.958 3.379 1.00 0.60 H new ATOM 0 HB3 GLU A 46 4.722 7.667 4.148 1.00 0.60 H new ATOM 0 HG2 GLU A 46 6.219 7.774 6.114 1.00 1.17 H new ATOM 0 HG3 GLU A 46 7.158 9.037 5.342 1.00 1.17 H new ATOM 679 N CYS A 47 5.651 5.212 2.303 1.00 0.32 N ATOM 680 CA CYS A 47 5.085 4.493 1.168 1.00 0.28 C ATOM 681 C CYS A 47 3.765 5.130 0.729 1.00 0.26 C ATOM 682 O CYS A 47 3.032 5.689 1.549 1.00 0.27 O ATOM 683 CB CYS A 47 4.864 3.013 1.527 1.00 0.28 C ATOM 684 SG CYS A 47 3.508 2.703 2.686 1.00 0.26 S ATOM 0 H CYS A 47 5.690 4.670 3.166 1.00 0.32 H new ATOM 0 HA CYS A 47 5.791 4.553 0.340 1.00 0.28 H new ATOM 0 HB2 CYS A 47 4.673 2.457 0.610 1.00 0.28 H new ATOM 0 HB3 CYS A 47 5.785 2.616 1.954 1.00 0.28 H new ATOM 689 N PRO A 48 3.449 5.057 -0.580 1.00 0.27 N ATOM 690 CA PRO A 48 2.210 5.623 -1.142 1.00 0.29 C ATOM 691 C PRO A 48 0.960 4.905 -0.638 1.00 0.27 C ATOM 692 O PRO A 48 -0.163 5.311 -0.930 1.00 0.30 O ATOM 693 CB PRO A 48 2.370 5.417 -2.652 1.00 0.35 C ATOM 694 CG PRO A 48 3.334 4.291 -2.782 1.00 0.34 C ATOM 695 CD PRO A 48 4.283 4.429 -1.623 1.00 0.29 C ATOM 0 HA PRO A 48 2.076 6.665 -0.853 1.00 0.29 H new ATOM 0 HB2 PRO A 48 1.416 5.177 -3.122 1.00 0.35 H new ATOM 0 HB3 PRO A 48 2.746 6.318 -3.136 1.00 0.35 H new ATOM 0 HG2 PRO A 48 2.820 3.330 -2.754 1.00 0.34 H new ATOM 0 HG3 PRO A 48 3.867 4.340 -3.732 1.00 0.34 H new ATOM 0 HD2 PRO A 48 4.670 3.462 -1.302 1.00 0.29 H new ATOM 0 HD3 PRO A 48 5.143 5.048 -1.878 1.00 0.29 H new ATOM 703 N TRP A 49 1.174 3.843 0.133 1.00 0.24 N ATOM 704 CA TRP A 49 0.086 3.078 0.732 1.00 0.23 C ATOM 705 C TRP A 49 -0.509 3.858 1.906 1.00 0.23 C ATOM 706 O TRP A 49 -1.517 3.466 2.486 1.00 0.27 O ATOM 707 CB TRP A 49 0.618 1.718 1.205 1.00 0.22 C ATOM 708 CG TRP A 49 -0.422 0.641 1.332 1.00 0.22 C ATOM 709 CD1 TRP A 49 -1.446 0.373 0.465 1.00 0.25 C ATOM 710 CD2 TRP A 49 -0.515 -0.336 2.376 1.00 0.24 C ATOM 711 NE1 TRP A 49 -2.164 -0.713 0.907 1.00 0.27 N ATOM 712 CE2 TRP A 49 -1.615 -1.162 2.079 1.00 0.26 C ATOM 713 CE3 TRP A 49 0.226 -0.593 3.537 1.00 0.27 C ATOM 714 CZ2 TRP A 49 -1.992 -2.225 2.897 1.00 0.30 C ATOM 715 CZ3 TRP A 49 -0.150 -1.647 4.348 1.00 0.31 C ATOM 716 CH2 TRP A 49 -1.250 -2.453 4.024 1.00 0.32 C ATOM 0 H TRP A 49 2.104 3.490 0.359 1.00 0.24 H new ATOM 0 HA TRP A 49 -0.697 2.913 -0.008 1.00 0.23 H new ATOM 0 HB2 TRP A 49 1.385 1.382 0.507 1.00 0.22 H new ATOM 0 HB3 TRP A 49 1.103 1.850 2.172 1.00 0.22 H new ATOM 0 HD1 TRP A 49 -1.659 0.932 -0.434 1.00 0.25 H new ATOM 0 HE1 TRP A 49 -2.974 -1.119 0.438 1.00 0.27 H new ATOM 0 HE3 TRP A 49 1.076 0.022 3.794 1.00 0.27 H new ATOM 0 HZ2 TRP A 49 -2.840 -2.847 2.650 1.00 0.30 H new ATOM 0 HZ3 TRP A 49 0.413 -1.853 5.246 1.00 0.31 H new ATOM 0 HH2 TRP A 49 -1.517 -3.271 4.677 1.00 0.32 H new ATOM 727 N HIS A 50 0.142 4.963 2.266 1.00 0.23 N ATOM 728 CA HIS A 50 -0.391 5.859 3.285 1.00 0.24 C ATOM 729 C HIS A 50 -1.113 7.030 2.638 1.00 0.25 C ATOM 730 O HIS A 50 -1.639 7.903 3.327 1.00 0.29 O ATOM 731 CB HIS A 50 0.719 6.415 4.177 1.00 0.27 C ATOM 732 CG HIS A 50 1.553 5.380 4.861 1.00 0.28 C ATOM 733 ND1 HIS A 50 1.080 4.171 5.318 1.00 0.32 N ATOM 734 CD2 HIS A 50 2.868 5.415 5.180 1.00 0.30 C ATOM 735 CE1 HIS A 50 2.106 3.522 5.890 1.00 0.35 C ATOM 736 NE2 HIS A 50 3.216 4.239 5.834 1.00 0.34 N ATOM 0 H HIS A 50 1.034 5.256 1.868 1.00 0.23 H new ATOM 0 HA HIS A 50 -1.083 5.276 3.892 1.00 0.24 H new ATOM 0 HB2 HIS A 50 1.371 7.044 3.571 1.00 0.27 H new ATOM 0 HB3 HIS A 50 0.269 7.057 4.934 1.00 0.27 H new ATOM 0 HD2 HIS A 50 3.542 6.230 4.961 1.00 0.30 H new ATOM 0 HE1 HIS A 50 2.035 2.542 6.338 1.00 0.35 H new ATOM 0 HE2 HIS A 50 4.135 3.983 6.195 1.00 0.34 H new ATOM 744 N GLN A 51 -1.133 7.059 1.315 1.00 0.25 N ATOM 745 CA GLN A 51 -1.687 8.196 0.596 1.00 0.28 C ATOM 746 C GLN A 51 -2.881 7.787 -0.245 1.00 0.24 C ATOM 747 O GLN A 51 -2.874 6.749 -0.905 1.00 0.26 O ATOM 748 CB GLN A 51 -0.616 8.858 -0.275 1.00 0.38 C ATOM 749 CG GLN A 51 0.559 9.389 0.528 1.00 0.48 C ATOM 750 CD GLN A 51 0.187 10.569 1.415 1.00 0.55 C ATOM 751 OE1 GLN A 51 0.313 11.723 1.011 1.00 0.83 O ATOM 752 NE2 GLN A 51 -0.289 10.295 2.623 1.00 0.86 N ATOM 0 H GLN A 51 -0.774 6.313 0.719 1.00 0.25 H new ATOM 0 HA GLN A 51 -2.031 8.921 1.334 1.00 0.28 H new ATOM 0 HB2 GLN A 51 -0.252 8.135 -1.006 1.00 0.38 H new ATOM 0 HB3 GLN A 51 -1.067 9.678 -0.834 1.00 0.38 H new ATOM 0 HG2 GLN A 51 0.960 8.587 1.148 1.00 0.48 H new ATOM 0 HG3 GLN A 51 1.353 9.691 -0.156 1.00 0.48 H new ATOM 0 HE21 GLN A 51 -0.381 9.326 2.927 1.00 0.86 H new ATOM 0 HE22 GLN A 51 -0.563 11.054 3.247 1.00 0.86 H new ATOM 761 N CYS A 52 -3.911 8.610 -0.190 1.00 0.23 N ATOM 762 CA CYS A 52 -5.131 8.377 -0.935 1.00 0.21 C ATOM 763 C CYS A 52 -4.861 8.493 -2.425 1.00 0.26 C ATOM 764 O CYS A 52 -4.469 9.552 -2.905 1.00 0.31 O ATOM 765 CB CYS A 52 -6.181 9.399 -0.509 1.00 0.22 C ATOM 766 SG CYS A 52 -7.780 9.262 -1.344 1.00 0.23 S ATOM 0 H CYS A 52 -3.924 9.460 0.374 1.00 0.23 H new ATOM 0 HA CYS A 52 -5.499 7.372 -0.727 1.00 0.21 H new ATOM 0 HB2 CYS A 52 -6.342 9.304 0.565 1.00 0.22 H new ATOM 0 HB3 CYS A 52 -5.783 10.398 -0.684 1.00 0.22 H new ATOM 771 N ASP A 53 -5.089 7.407 -3.149 1.00 0.28 N ATOM 772 CA ASP A 53 -4.821 7.363 -4.584 1.00 0.35 C ATOM 773 C ASP A 53 -5.647 8.402 -5.336 1.00 0.36 C ATOM 774 O ASP A 53 -5.307 8.795 -6.449 1.00 0.42 O ATOM 775 CB ASP A 53 -5.109 5.964 -5.144 1.00 0.39 C ATOM 776 CG ASP A 53 -4.845 5.868 -6.633 1.00 0.51 C ATOM 777 OD1 ASP A 53 -5.818 5.782 -7.412 1.00 0.56 O ATOM 778 OD2 ASP A 53 -3.662 5.897 -7.036 1.00 0.64 O ATOM 0 H ASP A 53 -5.461 6.538 -2.766 1.00 0.28 H new ATOM 0 HA ASP A 53 -3.766 7.595 -4.728 1.00 0.35 H new ATOM 0 HB2 ASP A 53 -4.492 5.233 -4.621 1.00 0.39 H new ATOM 0 HB3 ASP A 53 -6.149 5.704 -4.945 1.00 0.39 H new ATOM 783 N VAL A 54 -6.722 8.865 -4.714 1.00 0.33 N ATOM 784 CA VAL A 54 -7.596 9.832 -5.348 1.00 0.36 C ATOM 785 C VAL A 54 -7.072 11.258 -5.176 1.00 0.37 C ATOM 786 O VAL A 54 -6.818 11.950 -6.160 1.00 0.44 O ATOM 787 CB VAL A 54 -9.034 9.745 -4.801 1.00 0.34 C ATOM 788 CG1 VAL A 54 -9.927 10.775 -5.472 1.00 0.38 C ATOM 789 CG2 VAL A 54 -9.601 8.350 -4.998 1.00 0.33 C ATOM 0 H VAL A 54 -7.006 8.586 -3.775 1.00 0.33 H new ATOM 0 HA VAL A 54 -7.611 9.587 -6.410 1.00 0.36 H new ATOM 0 HB VAL A 54 -9.002 9.958 -3.732 1.00 0.34 H new ATOM 0 HG11 VAL A 54 -10.938 10.696 -5.071 1.00 0.38 H new ATOM 0 HG12 VAL A 54 -9.537 11.775 -5.280 1.00 0.38 H new ATOM 0 HG13 VAL A 54 -9.948 10.594 -6.547 1.00 0.38 H new ATOM 0 HG21 VAL A 54 -10.617 8.311 -4.605 1.00 0.33 H new ATOM 0 HG22 VAL A 54 -9.614 8.109 -6.061 1.00 0.33 H new ATOM 0 HG23 VAL A 54 -8.980 7.627 -4.470 1.00 0.33 H new ATOM 799 N CYS A 55 -6.885 11.691 -3.931 1.00 0.34 N ATOM 800 CA CYS A 55 -6.556 13.094 -3.677 1.00 0.36 C ATOM 801 C CYS A 55 -5.102 13.297 -3.241 1.00 0.35 C ATOM 802 O CYS A 55 -4.630 14.431 -3.165 1.00 0.41 O ATOM 803 CB CYS A 55 -7.512 13.690 -2.640 1.00 0.37 C ATOM 804 SG CYS A 55 -7.451 12.916 -1.002 1.00 0.32 S ATOM 0 H CYS A 55 -6.953 11.106 -3.098 1.00 0.34 H new ATOM 0 HA CYS A 55 -6.676 13.619 -4.624 1.00 0.36 H new ATOM 0 HB2 CYS A 55 -7.289 14.751 -2.531 1.00 0.37 H new ATOM 0 HB3 CYS A 55 -8.530 13.615 -3.022 1.00 0.37 H new ATOM 809 N GLY A 56 -4.396 12.211 -2.951 1.00 0.33 N ATOM 810 CA GLY A 56 -3.000 12.318 -2.558 1.00 0.36 C ATOM 811 C GLY A 56 -2.825 12.722 -1.106 1.00 0.38 C ATOM 812 O GLY A 56 -1.711 12.989 -0.662 1.00 0.49 O ATOM 0 H GLY A 56 -4.762 11.259 -2.980 1.00 0.33 H new ATOM 0 HA2 GLY A 56 -2.506 11.361 -2.726 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -2.503 13.049 -3.196 1.00 0.36 H new ATOM 816 N LYS A 57 -3.924 12.781 -0.367 1.00 0.35 N ATOM 817 CA LYS A 57 -3.868 13.140 1.041 1.00 0.39 C ATOM 818 C LYS A 57 -3.733 11.899 1.917 1.00 0.33 C ATOM 819 O LYS A 57 -3.617 10.782 1.409 1.00 0.33 O ATOM 820 CB LYS A 57 -5.105 13.941 1.442 1.00 0.48 C ATOM 821 CG LYS A 57 -5.206 15.281 0.734 1.00 0.65 C ATOM 822 CD LYS A 57 -6.450 16.041 1.152 1.00 0.78 C ATOM 823 CE LYS A 57 -6.472 17.440 0.556 1.00 1.16 C ATOM 824 NZ LYS A 57 -5.282 18.234 0.962 1.00 1.91 N ATOM 0 H LYS A 57 -4.861 12.586 -0.718 1.00 0.35 H new ATOM 0 HA LYS A 57 -2.986 13.762 1.193 1.00 0.39 H new ATOM 0 HB2 LYS A 57 -5.997 13.354 1.223 1.00 0.48 H new ATOM 0 HB3 LYS A 57 -5.089 14.107 2.519 1.00 0.48 H new ATOM 0 HG2 LYS A 57 -4.322 15.878 0.957 1.00 0.65 H new ATOM 0 HG3 LYS A 57 -5.221 15.123 -0.344 1.00 0.65 H new ATOM 0 HD2 LYS A 57 -7.337 15.494 0.833 1.00 0.78 H new ATOM 0 HD3 LYS A 57 -6.490 16.106 2.239 1.00 0.78 H new ATOM 0 HE2 LYS A 57 -6.509 17.371 -0.531 1.00 1.16 H new ATOM 0 HE3 LYS A 57 -7.378 17.956 0.874 1.00 1.16 H new ATOM 0 HZ1 LYS A 57 -5.475 19.246 0.820 1.00 1.91 H new ATOM 0 HZ2 LYS A 57 -5.074 18.059 1.966 1.00 1.91 H new ATOM 0 HZ3 LYS A 57 -4.464 17.953 0.385 1.00 1.91 H new ATOM 838 N GLU A 58 -3.759 12.107 3.225 1.00 0.35 N ATOM 839 CA GLU A 58 -3.588 11.029 4.190 1.00 0.37 C ATOM 840 C GLU A 58 -4.674 9.968 4.021 1.00 0.30 C ATOM 841 O GLU A 58 -5.868 10.276 4.025 1.00 0.36 O ATOM 842 CB GLU A 58 -3.627 11.597 5.608 1.00 0.51 C ATOM 843 CG GLU A 58 -3.203 10.607 6.679 1.00 0.88 C ATOM 844 CD GLU A 58 -1.746 10.213 6.559 1.00 1.30 C ATOM 845 OE1 GLU A 58 -0.871 11.055 6.857 1.00 1.50 O ATOM 846 OE2 GLU A 58 -1.467 9.064 6.173 1.00 2.03 O ATOM 0 H GLU A 58 -3.899 13.025 3.647 1.00 0.35 H new ATOM 0 HA GLU A 58 -2.621 10.557 4.015 1.00 0.37 H new ATOM 0 HB2 GLU A 58 -2.977 12.471 5.657 1.00 0.51 H new ATOM 0 HB3 GLU A 58 -4.639 11.940 5.824 1.00 0.51 H new ATOM 0 HG2 GLU A 58 -3.378 11.043 7.662 1.00 0.88 H new ATOM 0 HG3 GLU A 58 -3.824 9.714 6.611 1.00 0.88 H new ATOM 853 N ALA A 59 -4.256 8.724 3.858 1.00 0.26 N ATOM 854 CA ALA A 59 -5.187 7.620 3.701 1.00 0.21 C ATOM 855 C ALA A 59 -5.635 7.093 5.057 1.00 0.23 C ATOM 856 O ALA A 59 -4.860 7.066 6.013 1.00 0.30 O ATOM 857 CB ALA A 59 -4.555 6.507 2.890 1.00 0.22 C ATOM 0 H ALA A 59 -3.273 8.453 3.831 1.00 0.26 H new ATOM 0 HA ALA A 59 -6.064 7.988 3.169 1.00 0.21 H new ATOM 0 HB1 ALA A 59 -5.265 5.687 2.781 1.00 0.22 H new ATOM 0 HB2 ALA A 59 -4.283 6.884 1.904 1.00 0.22 H new ATOM 0 HB3 ALA A 59 -3.661 6.147 3.400 1.00 0.22 H new ATOM 863 N ALA A 60 -6.888 6.674 5.130 1.00 0.20 N ATOM 864 CA ALA A 60 -7.449 6.162 6.367 1.00 0.23 C ATOM 865 C ALA A 60 -7.643 4.658 6.288 1.00 0.23 C ATOM 866 O ALA A 60 -7.481 3.946 7.277 1.00 0.30 O ATOM 867 CB ALA A 60 -8.764 6.852 6.670 1.00 0.27 C ATOM 0 H ALA A 60 -7.537 6.679 4.343 1.00 0.20 H new ATOM 0 HA ALA A 60 -6.749 6.372 7.176 1.00 0.23 H new ATOM 0 HB1 ALA A 60 -9.175 6.459 7.600 1.00 0.27 H new ATOM 0 HB2 ALA A 60 -8.597 7.924 6.771 1.00 0.27 H new ATOM 0 HB3 ALA A 60 -9.467 6.669 5.857 1.00 0.27 H new ATOM 873 N SER A 61 -7.993 4.182 5.105 1.00 0.21 N ATOM 874 CA SER A 61 -8.194 2.765 4.888 1.00 0.23 C ATOM 875 C SER A 61 -7.348 2.302 3.710 1.00 0.20 C ATOM 876 O SER A 61 -7.238 3.006 2.699 1.00 0.30 O ATOM 877 CB SER A 61 -9.674 2.491 4.645 1.00 0.30 C ATOM 878 OG SER A 61 -10.163 3.280 3.576 1.00 0.35 O ATOM 0 H SER A 61 -8.144 4.761 4.279 1.00 0.21 H new ATOM 0 HA SER A 61 -7.883 2.207 5.771 1.00 0.23 H new ATOM 0 HB2 SER A 61 -9.821 1.435 4.420 1.00 0.30 H new ATOM 0 HB3 SER A 61 -10.242 2.706 5.550 1.00 0.30 H new ATOM 0 HG SER A 61 -10.200 4.219 3.853 1.00 0.35 H new ATOM 884 N PHE A 62 -6.754 1.127 3.838 1.00 0.21 N ATOM 885 CA PHE A 62 -5.779 0.652 2.868 1.00 0.20 C ATOM 886 C PHE A 62 -6.293 -0.595 2.151 1.00 0.19 C ATOM 887 O PHE A 62 -6.774 -1.524 2.796 1.00 0.22 O ATOM 888 CB PHE A 62 -4.466 0.334 3.599 1.00 0.26 C ATOM 889 CG PHE A 62 -4.143 1.318 4.694 1.00 0.30 C ATOM 890 CD1 PHE A 62 -4.200 0.944 6.025 1.00 0.68 C ATOM 891 CD2 PHE A 62 -3.759 2.615 4.386 1.00 0.29 C ATOM 892 CE1 PHE A 62 -3.883 1.840 7.028 1.00 0.76 C ATOM 893 CE2 PHE A 62 -3.445 3.516 5.387 1.00 0.29 C ATOM 894 CZ PHE A 62 -3.588 3.138 6.721 1.00 0.47 C ATOM 0 H PHE A 62 -6.931 0.481 4.608 1.00 0.21 H new ATOM 0 HA PHE A 62 -5.610 1.427 2.120 1.00 0.20 H new ATOM 0 HB2 PHE A 62 -4.528 -0.667 4.026 1.00 0.26 H new ATOM 0 HB3 PHE A 62 -3.649 0.322 2.877 1.00 0.26 H new ATOM 0 HD1 PHE A 62 -4.496 -0.062 6.283 1.00 0.68 H new ATOM 0 HD2 PHE A 62 -3.705 2.925 3.353 1.00 0.29 H new ATOM 0 HE1 PHE A 62 -3.868 1.513 8.057 1.00 0.76 H new ATOM 0 HE2 PHE A 62 -3.092 4.505 5.137 1.00 0.29 H new ATOM 0 HZ PHE A 62 -3.466 3.868 7.508 1.00 0.47 H new ATOM 904 N CYS A 63 -6.214 -0.613 0.818 1.00 0.18 N ATOM 905 CA CYS A 63 -6.588 -1.807 0.068 1.00 0.18 C ATOM 906 C CYS A 63 -5.583 -2.916 0.342 1.00 0.19 C ATOM 907 O CYS A 63 -4.382 -2.742 0.132 1.00 0.22 O ATOM 908 CB CYS A 63 -6.673 -1.545 -1.443 1.00 0.20 C ATOM 909 SG CYS A 63 -7.346 -2.952 -2.371 1.00 0.23 S ATOM 0 H CYS A 63 -5.900 0.172 0.247 1.00 0.18 H new ATOM 0 HA CYS A 63 -7.581 -2.107 0.402 1.00 0.18 H new ATOM 0 HB2 CYS A 63 -7.297 -0.669 -1.620 1.00 0.20 H new ATOM 0 HB3 CYS A 63 -5.678 -1.310 -1.822 1.00 0.20 H new ATOM 914 N GLU A 64 -6.078 -4.056 0.795 1.00 0.19 N ATOM 915 CA GLU A 64 -5.222 -5.178 1.141 1.00 0.23 C ATOM 916 C GLU A 64 -4.952 -6.054 -0.080 1.00 0.25 C ATOM 917 O GLU A 64 -4.585 -7.224 0.048 1.00 0.29 O ATOM 918 CB GLU A 64 -5.853 -6.007 2.264 1.00 0.24 C ATOM 919 CG GLU A 64 -6.017 -5.234 3.567 1.00 0.24 C ATOM 920 CD GLU A 64 -6.517 -6.105 4.699 1.00 0.29 C ATOM 921 OE1 GLU A 64 -5.677 -6.719 5.391 1.00 0.42 O ATOM 922 OE2 GLU A 64 -7.747 -6.187 4.900 1.00 0.32 O ATOM 0 H GLU A 64 -7.074 -4.229 0.932 1.00 0.19 H new ATOM 0 HA GLU A 64 -4.270 -4.782 1.493 1.00 0.23 H new ATOM 0 HB2 GLU A 64 -6.829 -6.365 1.937 1.00 0.24 H new ATOM 0 HB3 GLU A 64 -5.236 -6.887 2.447 1.00 0.24 H new ATOM 0 HG2 GLU A 64 -5.060 -4.794 3.847 1.00 0.24 H new ATOM 0 HG3 GLU A 64 -6.714 -4.410 3.412 1.00 0.24 H new ATOM 929 N MET A 65 -5.152 -5.488 -1.265 1.00 0.27 N ATOM 930 CA MET A 65 -4.818 -6.178 -2.505 1.00 0.32 C ATOM 931 C MET A 65 -3.863 -5.363 -3.369 1.00 0.35 C ATOM 932 O MET A 65 -3.200 -5.913 -4.246 1.00 0.44 O ATOM 933 CB MET A 65 -6.072 -6.495 -3.319 1.00 0.34 C ATOM 934 CG MET A 65 -6.973 -7.545 -2.697 1.00 0.36 C ATOM 935 SD MET A 65 -8.387 -7.932 -3.742 1.00 0.70 S ATOM 936 CE MET A 65 -9.100 -9.299 -2.837 1.00 1.54 C ATOM 0 H MET A 65 -5.543 -4.555 -1.393 1.00 0.27 H new ATOM 0 HA MET A 65 -4.327 -7.107 -2.216 1.00 0.32 H new ATOM 0 HB2 MET A 65 -6.644 -5.577 -3.455 1.00 0.34 H new ATOM 0 HB3 MET A 65 -5.771 -6.833 -4.311 1.00 0.34 H new ATOM 0 HG2 MET A 65 -6.398 -8.453 -2.515 1.00 0.36 H new ATOM 0 HG3 MET A 65 -7.325 -7.191 -1.728 1.00 0.36 H new ATOM 0 HE1 MET A 65 -9.989 -9.655 -3.357 1.00 1.54 H new ATOM 0 HE2 MET A 65 -8.373 -10.108 -2.767 1.00 1.54 H new ATOM 0 HE3 MET A 65 -9.373 -8.969 -1.835 1.00 1.54 H new ATOM 946 N CYS A 66 -3.781 -4.060 -3.126 1.00 0.32 N ATOM 947 CA CYS A 66 -2.973 -3.197 -3.970 1.00 0.34 C ATOM 948 C CYS A 66 -2.626 -1.914 -3.219 1.00 0.33 C ATOM 949 O CYS A 66 -3.270 -1.591 -2.221 1.00 0.32 O ATOM 950 CB CYS A 66 -3.739 -2.865 -5.255 1.00 0.35 C ATOM 951 SG CYS A 66 -5.050 -1.640 -5.033 1.00 0.32 S ATOM 0 H CYS A 66 -4.259 -3.585 -2.360 1.00 0.32 H new ATOM 0 HA CYS A 66 -2.049 -3.713 -4.231 1.00 0.34 H new ATOM 0 HB2 CYS A 66 -3.035 -2.497 -6.001 1.00 0.35 H new ATOM 0 HB3 CYS A 66 -4.175 -3.781 -5.653 1.00 0.35 H new ATOM 956 N PRO A 67 -1.606 -1.163 -3.685 1.00 0.35 N ATOM 957 CA PRO A 67 -1.173 0.085 -3.041 1.00 0.37 C ATOM 958 C PRO A 67 -2.149 1.251 -3.248 1.00 0.37 C ATOM 959 O PRO A 67 -1.780 2.410 -3.059 1.00 0.46 O ATOM 960 CB PRO A 67 0.174 0.404 -3.719 1.00 0.41 C ATOM 961 CG PRO A 67 0.543 -0.835 -4.464 1.00 0.42 C ATOM 962 CD PRO A 67 -0.764 -1.473 -4.848 1.00 0.38 C ATOM 0 HA PRO A 67 -1.112 -0.040 -1.960 1.00 0.37 H new ATOM 0 HB2 PRO A 67 0.083 1.256 -4.393 1.00 0.41 H new ATOM 0 HB3 PRO A 67 0.934 0.661 -2.982 1.00 0.41 H new ATOM 0 HG2 PRO A 67 1.140 -0.601 -5.345 1.00 0.42 H new ATOM 0 HG3 PRO A 67 1.140 -1.504 -3.844 1.00 0.42 H new ATOM 0 HD2 PRO A 67 -1.169 -1.053 -5.769 1.00 0.38 H new ATOM 0 HD3 PRO A 67 -0.664 -2.547 -5.005 1.00 0.38 H new ATOM 970 N SER A 68 -3.380 0.954 -3.650 1.00 0.33 N ATOM 971 CA SER A 68 -4.400 1.984 -3.798 1.00 0.33 C ATOM 972 C SER A 68 -5.135 2.194 -2.476 1.00 0.27 C ATOM 973 O SER A 68 -6.121 1.516 -2.177 1.00 0.40 O ATOM 974 CB SER A 68 -5.399 1.609 -4.897 1.00 0.37 C ATOM 975 OG SER A 68 -4.737 1.358 -6.129 1.00 0.46 O ATOM 0 H SER A 68 -3.694 0.011 -3.878 1.00 0.33 H new ATOM 0 HA SER A 68 -3.906 2.913 -4.083 1.00 0.33 H new ATOM 0 HB2 SER A 68 -5.960 0.724 -4.596 1.00 0.37 H new ATOM 0 HB3 SER A 68 -6.121 2.415 -5.027 1.00 0.37 H new ATOM 0 HG SER A 68 -4.597 0.394 -6.235 1.00 0.46 H new ATOM 981 N SER A 69 -4.630 3.118 -1.684 1.00 0.21 N ATOM 982 CA SER A 69 -5.243 3.468 -0.417 1.00 0.17 C ATOM 983 C SER A 69 -6.154 4.682 -0.586 1.00 0.16 C ATOM 984 O SER A 69 -6.036 5.415 -1.568 1.00 0.18 O ATOM 985 CB SER A 69 -4.141 3.743 0.602 1.00 0.24 C ATOM 986 OG SER A 69 -2.987 4.253 -0.044 1.00 0.38 O ATOM 0 H SER A 69 -3.785 3.647 -1.899 1.00 0.21 H new ATOM 0 HA SER A 69 -5.860 2.643 -0.061 1.00 0.17 H new ATOM 0 HB2 SER A 69 -4.495 4.457 1.346 1.00 0.24 H new ATOM 0 HB3 SER A 69 -3.892 2.825 1.134 1.00 0.24 H new ATOM 0 HG SER A 69 -3.064 5.226 -0.132 1.00 0.38 H new ATOM 992 N PHE A 70 -7.066 4.898 0.358 1.00 0.15 N ATOM 993 CA PHE A 70 -8.028 5.988 0.240 1.00 0.15 C ATOM 994 C PHE A 70 -8.187 6.721 1.568 1.00 0.16 C ATOM 995 O PHE A 70 -8.020 6.134 2.639 1.00 0.18 O ATOM 996 CB PHE A 70 -9.390 5.455 -0.213 1.00 0.16 C ATOM 997 CG PHE A 70 -9.352 4.693 -1.506 1.00 0.18 C ATOM 998 CD1 PHE A 70 -9.234 5.358 -2.715 1.00 0.21 C ATOM 999 CD2 PHE A 70 -9.441 3.310 -1.513 1.00 0.21 C ATOM 1000 CE1 PHE A 70 -9.202 4.658 -3.906 1.00 0.24 C ATOM 1001 CE2 PHE A 70 -9.409 2.605 -2.699 1.00 0.24 C ATOM 1002 CZ PHE A 70 -9.290 3.281 -3.899 1.00 0.25 C ATOM 0 H PHE A 70 -7.159 4.338 1.206 1.00 0.15 H new ATOM 0 HA PHE A 70 -7.648 6.687 -0.505 1.00 0.15 H new ATOM 0 HB2 PHE A 70 -9.792 4.807 0.566 1.00 0.16 H new ATOM 0 HB3 PHE A 70 -10.079 6.293 -0.318 1.00 0.16 H new ATOM 0 HD1 PHE A 70 -9.166 6.436 -2.727 1.00 0.21 H new ATOM 0 HD2 PHE A 70 -9.537 2.777 -0.578 1.00 0.21 H new ATOM 0 HE1 PHE A 70 -9.108 5.189 -4.842 1.00 0.24 H new ATOM 0 HE2 PHE A 70 -9.477 1.527 -2.690 1.00 0.24 H new ATOM 0 HZ PHE A 70 -9.266 2.732 -4.829 1.00 0.25 H new ATOM 1012 N CYS A 71 -8.508 8.009 1.488 1.00 0.18 N ATOM 1013 CA CYS A 71 -8.716 8.827 2.677 1.00 0.22 C ATOM 1014 C CYS A 71 -10.103 8.581 3.256 1.00 0.23 C ATOM 1015 O CYS A 71 -10.891 7.840 2.668 1.00 0.22 O ATOM 1016 CB CYS A 71 -8.547 10.314 2.342 1.00 0.26 C ATOM 1017 SG CYS A 71 -9.820 10.971 1.236 1.00 0.26 S ATOM 0 H CYS A 71 -8.630 8.510 0.608 1.00 0.18 H new ATOM 0 HA CYS A 71 -7.969 8.546 3.419 1.00 0.22 H new ATOM 0 HB2 CYS A 71 -8.555 10.887 3.269 1.00 0.26 H new ATOM 0 HB3 CYS A 71 -7.570 10.463 1.883 1.00 0.26 H new ATOM 1022 N LYS A 72 -10.401 9.204 4.389 1.00 0.29 N ATOM 1023 CA LYS A 72 -11.709 9.065 5.030 1.00 0.33 C ATOM 1024 C LYS A 72 -12.848 9.365 4.056 1.00 0.34 C ATOM 1025 O LYS A 72 -13.907 8.739 4.104 1.00 0.38 O ATOM 1026 CB LYS A 72 -11.808 10.000 6.232 1.00 0.40 C ATOM 1027 CG LYS A 72 -10.906 9.607 7.387 1.00 0.46 C ATOM 1028 CD LYS A 72 -11.034 10.575 8.547 1.00 0.60 C ATOM 1029 CE LYS A 72 -10.305 10.061 9.772 1.00 0.71 C ATOM 1030 NZ LYS A 72 -10.898 8.795 10.284 1.00 1.23 N ATOM 0 H LYS A 72 -9.753 9.814 4.888 1.00 0.29 H new ATOM 0 HA LYS A 72 -11.805 8.030 5.359 1.00 0.33 H new ATOM 0 HB2 LYS A 72 -11.557 11.012 5.915 1.00 0.40 H new ATOM 0 HB3 LYS A 72 -12.841 10.022 6.580 1.00 0.40 H new ATOM 0 HG2 LYS A 72 -11.159 8.601 7.722 1.00 0.46 H new ATOM 0 HG3 LYS A 72 -9.870 9.579 7.048 1.00 0.46 H new ATOM 0 HD2 LYS A 72 -10.630 11.546 8.260 1.00 0.60 H new ATOM 0 HD3 LYS A 72 -12.087 10.726 8.784 1.00 0.60 H new ATOM 0 HE2 LYS A 72 -9.256 9.897 9.527 1.00 0.71 H new ATOM 0 HE3 LYS A 72 -10.335 10.818 10.556 1.00 0.71 H new ATOM 0 HZ1 LYS A 72 -10.603 8.647 11.270 1.00 1.23 H new ATOM 0 HZ2 LYS A 72 -11.935 8.854 10.238 1.00 1.23 H new ATOM 0 HZ3 LYS A 72 -10.571 7.998 9.701 1.00 1.23 H new ATOM 1044 N GLN A 73 -12.606 10.303 3.157 1.00 0.33 N ATOM 1045 CA GLN A 73 -13.623 10.748 2.217 1.00 0.36 C ATOM 1046 C GLN A 73 -13.746 9.792 1.037 1.00 0.31 C ATOM 1047 O GLN A 73 -14.839 9.338 0.707 1.00 0.38 O ATOM 1048 CB GLN A 73 -13.282 12.150 1.718 1.00 0.41 C ATOM 1049 CG GLN A 73 -13.170 13.175 2.836 1.00 1.17 C ATOM 1050 CD GLN A 73 -12.733 14.542 2.348 1.00 1.67 C ATOM 1051 OE1 GLN A 73 -13.109 14.896 1.129 1.00 2.36 O flip ATOM 1052 NE2 GLN A 73 -12.065 15.281 3.069 1.00 2.20 N flip ATOM 0 H GLN A 73 -11.707 10.775 3.057 1.00 0.33 H new ATOM 0 HA GLN A 73 -14.582 10.765 2.735 1.00 0.36 H new ATOM 0 HB2 GLN A 73 -12.340 12.114 1.171 1.00 0.41 H new ATOM 0 HB3 GLN A 73 -14.048 12.474 1.013 1.00 0.41 H new ATOM 0 HG2 GLN A 73 -14.134 13.265 3.336 1.00 1.17 H new ATOM 0 HG3 GLN A 73 -12.458 12.817 3.579 1.00 1.17 H new ATOM 0 HE21 GLN A 73 -11.794 14.973 4.003 1.00 2.20 H new ATOM 0 HE22 GLN A 73 -11.782 16.202 2.733 1.00 2.20 H new ATOM 1061 N HIS A 74 -12.617 9.459 0.428 1.00 0.24 N ATOM 1062 CA HIS A 74 -12.624 8.707 -0.826 1.00 0.21 C ATOM 1063 C HIS A 74 -12.576 7.203 -0.594 1.00 0.19 C ATOM 1064 O HIS A 74 -12.342 6.437 -1.524 1.00 0.20 O ATOM 1065 CB HIS A 74 -11.455 9.134 -1.721 1.00 0.22 C ATOM 1066 CG HIS A 74 -11.543 10.561 -2.158 1.00 0.26 C ATOM 1067 ND1 HIS A 74 -10.439 11.376 -2.213 1.00 0.28 N ATOM 1068 CD2 HIS A 74 -12.635 11.274 -2.521 1.00 0.30 C ATOM 1069 CE1 HIS A 74 -10.884 12.563 -2.593 1.00 0.33 C ATOM 1070 NE2 HIS A 74 -12.210 12.546 -2.796 1.00 0.34 N ATOM 0 H HIS A 74 -11.688 9.694 0.776 1.00 0.24 H new ATOM 0 HA HIS A 74 -13.564 8.936 -1.327 1.00 0.21 H new ATOM 0 HB2 HIS A 74 -10.519 8.982 -1.184 1.00 0.22 H new ATOM 0 HB3 HIS A 74 -11.425 8.492 -2.601 1.00 0.22 H new ATOM 0 HD2 HIS A 74 -13.649 10.909 -2.582 1.00 0.30 H new ATOM 0 HE1 HIS A 74 -10.259 13.434 -2.723 1.00 0.33 H new ATOM 0 HE2 HIS A 74 -12.790 13.329 -3.097 1.00 0.34 H new ATOM 1078 N ARG A 75 -12.785 6.776 0.640 1.00 0.20 N ATOM 1079 CA ARG A 75 -12.832 5.350 0.935 1.00 0.20 C ATOM 1080 C ARG A 75 -14.250 4.817 0.807 1.00 0.23 C ATOM 1081 O ARG A 75 -14.457 3.621 0.591 1.00 0.25 O ATOM 1082 CB ARG A 75 -12.280 5.054 2.329 1.00 0.25 C ATOM 1083 CG ARG A 75 -13.115 5.612 3.467 1.00 0.31 C ATOM 1084 CD ARG A 75 -12.457 5.334 4.809 1.00 0.39 C ATOM 1085 NE ARG A 75 -13.248 5.836 5.930 1.00 0.53 N ATOM 1086 CZ ARG A 75 -13.258 5.281 7.142 1.00 0.77 C ATOM 1087 NH1 ARG A 75 -12.547 4.187 7.385 1.00 0.98 N ATOM 1088 NH2 ARG A 75 -13.988 5.816 8.109 1.00 0.92 N ATOM 0 H ARG A 75 -12.923 7.386 1.446 1.00 0.20 H new ATOM 0 HA ARG A 75 -12.202 4.843 0.204 1.00 0.20 H new ATOM 0 HB2 ARG A 75 -12.197 3.974 2.451 1.00 0.25 H new ATOM 0 HB3 ARG A 75 -11.272 5.462 2.401 1.00 0.25 H new ATOM 0 HG2 ARG A 75 -13.244 6.686 3.336 1.00 0.31 H new ATOM 0 HG3 ARG A 75 -14.110 5.167 3.446 1.00 0.31 H new ATOM 0 HD2 ARG A 75 -12.310 4.260 4.923 1.00 0.39 H new ATOM 0 HD3 ARG A 75 -11.469 5.795 4.829 1.00 0.39 H new ATOM 0 HE ARG A 75 -13.828 6.661 5.776 1.00 0.53 H new ATOM 0 HH11 ARG A 75 -11.989 3.766 6.642 1.00 0.98 H new ATOM 0 HH12 ARG A 75 -12.559 3.767 8.314 1.00 0.98 H new ATOM 0 HH21 ARG A 75 -14.542 6.652 7.926 1.00 0.92 H new ATOM 0 HH22 ARG A 75 -13.996 5.392 9.036 1.00 0.92 H new ATOM 1102 N GLU A 76 -15.224 5.706 0.936 1.00 0.27 N ATOM 1103 CA GLU A 76 -16.616 5.314 0.845 1.00 0.34 C ATOM 1104 C GLU A 76 -16.945 4.871 -0.571 1.00 0.32 C ATOM 1105 O GLU A 76 -16.730 5.614 -1.529 1.00 0.34 O ATOM 1106 CB GLU A 76 -17.520 6.466 1.263 1.00 0.43 C ATOM 1107 CG GLU A 76 -17.330 6.884 2.709 1.00 0.55 C ATOM 1108 CD GLU A 76 -18.248 8.015 3.112 1.00 1.02 C ATOM 1109 OE1 GLU A 76 -19.210 7.766 3.862 1.00 1.21 O ATOM 1110 OE2 GLU A 76 -18.012 9.162 2.682 1.00 1.65 O ATOM 0 H GLU A 76 -15.073 6.701 1.104 1.00 0.27 H new ATOM 0 HA GLU A 76 -16.787 4.477 1.522 1.00 0.34 H new ATOM 0 HB2 GLU A 76 -17.328 7.322 0.616 1.00 0.43 H new ATOM 0 HB3 GLU A 76 -18.560 6.177 1.109 1.00 0.43 H new ATOM 0 HG2 GLU A 76 -17.509 6.027 3.358 1.00 0.55 H new ATOM 0 HG3 GLU A 76 -16.295 7.189 2.862 1.00 0.55 H new ATOM 1117 N GLY A 77 -17.442 3.651 -0.703 1.00 0.37 N ATOM 1118 CA GLY A 77 -17.798 3.126 -2.005 1.00 0.42 C ATOM 1119 C GLY A 77 -16.605 2.617 -2.794 1.00 0.40 C ATOM 1120 O GLY A 77 -16.742 1.707 -3.607 1.00 0.58 O ATOM 0 H GLY A 77 -17.606 3.011 0.074 1.00 0.37 H new ATOM 0 HA2 GLY A 77 -18.514 2.314 -1.878 1.00 0.42 H new ATOM 0 HA3 GLY A 77 -18.299 3.906 -2.579 1.00 0.42 H new ATOM 1124 N MET A 78 -15.435 3.192 -2.546 1.00 0.29 N ATOM 1125 CA MET A 78 -14.230 2.830 -3.291 1.00 0.27 C ATOM 1126 C MET A 78 -13.527 1.642 -2.647 1.00 0.24 C ATOM 1127 O MET A 78 -12.895 0.835 -3.329 1.00 0.28 O ATOM 1128 CB MET A 78 -13.262 4.018 -3.378 1.00 0.29 C ATOM 1129 CG MET A 78 -13.837 5.242 -4.088 1.00 0.35 C ATOM 1130 SD MET A 78 -14.294 4.902 -5.798 1.00 0.58 S ATOM 1131 CE MET A 78 -14.907 6.508 -6.303 1.00 1.51 C ATOM 0 H MET A 78 -15.292 3.910 -1.836 1.00 0.29 H new ATOM 0 HA MET A 78 -14.539 2.552 -4.299 1.00 0.27 H new ATOM 0 HB2 MET A 78 -12.963 4.304 -2.369 1.00 0.29 H new ATOM 0 HB3 MET A 78 -12.359 3.700 -3.900 1.00 0.29 H new ATOM 0 HG2 MET A 78 -14.714 5.594 -3.545 1.00 0.35 H new ATOM 0 HG3 MET A 78 -13.104 6.048 -4.065 1.00 0.35 H new ATOM 0 HE1 MET A 78 -15.230 6.463 -7.343 1.00 1.51 H new ATOM 0 HE2 MET A 78 -15.750 6.790 -5.673 1.00 1.51 H new ATOM 0 HE3 MET A 78 -14.114 7.249 -6.201 1.00 1.51 H new ATOM 1141 N LEU A 79 -13.630 1.542 -1.329 1.00 0.24 N ATOM 1142 CA LEU A 79 -13.038 0.434 -0.604 1.00 0.22 C ATOM 1143 C LEU A 79 -14.111 -0.260 0.225 1.00 0.25 C ATOM 1144 O LEU A 79 -14.986 0.396 0.792 1.00 0.32 O ATOM 1145 CB LEU A 79 -11.915 0.954 0.303 1.00 0.24 C ATOM 1146 CG LEU A 79 -10.949 -0.103 0.842 1.00 0.22 C ATOM 1147 CD1 LEU A 79 -10.174 -0.754 -0.286 1.00 0.21 C ATOM 1148 CD2 LEU A 79 -9.989 0.524 1.833 1.00 0.27 C ATOM 0 H LEU A 79 -14.119 2.218 -0.742 1.00 0.24 H new ATOM 0 HA LEU A 79 -12.616 -0.283 -1.308 1.00 0.22 H new ATOM 0 HB2 LEU A 79 -11.340 1.695 -0.252 1.00 0.24 H new ATOM 0 HB3 LEU A 79 -12.368 1.470 1.150 1.00 0.24 H new ATOM 0 HG LEU A 79 -11.534 -0.872 1.346 1.00 0.22 H new ATOM 0 HD11 LEU A 79 -9.494 -1.501 0.123 1.00 0.21 H new ATOM 0 HD12 LEU A 79 -10.869 -1.234 -0.975 1.00 0.21 H new ATOM 0 HD13 LEU A 79 -9.601 0.005 -0.819 1.00 0.21 H new ATOM 0 HD21 LEU A 79 -9.306 -0.238 2.210 1.00 0.27 H new ATOM 0 HD22 LEU A 79 -9.418 1.310 1.339 1.00 0.27 H new ATOM 0 HD23 LEU A 79 -10.551 0.951 2.664 1.00 0.27 H new ATOM 1160 N PHE A 80 -14.046 -1.580 0.296 1.00 0.24 N ATOM 1161 CA PHE A 80 -15.030 -2.354 1.037 1.00 0.31 C ATOM 1162 C PHE A 80 -14.394 -3.610 1.617 1.00 0.31 C ATOM 1163 O PHE A 80 -13.286 -3.987 1.236 1.00 0.26 O ATOM 1164 CB PHE A 80 -16.216 -2.716 0.126 1.00 0.37 C ATOM 1165 CG PHE A 80 -15.824 -3.391 -1.164 1.00 0.37 C ATOM 1166 CD1 PHE A 80 -15.693 -2.660 -2.336 1.00 0.36 C ATOM 1167 CD2 PHE A 80 -15.578 -4.756 -1.202 1.00 0.42 C ATOM 1168 CE1 PHE A 80 -15.328 -3.276 -3.515 1.00 0.40 C ATOM 1169 CE2 PHE A 80 -15.214 -5.374 -2.381 1.00 0.46 C ATOM 1170 CZ PHE A 80 -15.112 -4.634 -3.544 1.00 0.45 C ATOM 0 H PHE A 80 -13.320 -2.139 -0.152 1.00 0.24 H new ATOM 0 HA PHE A 80 -15.401 -1.748 1.864 1.00 0.31 H new ATOM 0 HB2 PHE A 80 -16.893 -3.371 0.674 1.00 0.37 H new ATOM 0 HB3 PHE A 80 -16.771 -1.807 -0.107 1.00 0.37 H new ATOM 0 HD1 PHE A 80 -15.879 -1.596 -2.325 1.00 0.36 H new ATOM 0 HD2 PHE A 80 -15.672 -5.341 -0.299 1.00 0.42 H new ATOM 0 HE1 PHE A 80 -15.212 -2.692 -4.416 1.00 0.40 H new ATOM 0 HE2 PHE A 80 -15.009 -6.434 -2.395 1.00 0.46 H new ATOM 0 HZ PHE A 80 -14.863 -5.122 -4.475 1.00 0.45 H new ATOM 1180 N ILE A 81 -15.095 -4.238 2.547 1.00 0.38 N ATOM 1181 CA ILE A 81 -14.625 -5.464 3.166 1.00 0.38 C ATOM 1182 C ILE A 81 -15.052 -6.676 2.348 1.00 0.42 C ATOM 1183 O ILE A 81 -16.221 -6.814 1.984 1.00 0.47 O ATOM 1184 CB ILE A 81 -15.159 -5.601 4.611 1.00 0.45 C ATOM 1185 CG1 ILE A 81 -14.516 -4.556 5.524 1.00 0.46 C ATOM 1186 CG2 ILE A 81 -14.910 -6.997 5.154 1.00 0.48 C ATOM 1187 CD1 ILE A 81 -13.033 -4.765 5.743 1.00 0.44 C ATOM 0 H ILE A 81 -15.999 -3.914 2.891 1.00 0.38 H new ATOM 0 HA ILE A 81 -13.536 -5.419 3.199 1.00 0.38 H new ATOM 0 HB ILE A 81 -16.235 -5.430 4.588 1.00 0.45 H new ATOM 0 HG12 ILE A 81 -14.674 -3.566 5.096 1.00 0.46 H new ATOM 0 HG13 ILE A 81 -15.022 -4.570 6.489 1.00 0.46 H new ATOM 0 HG21 ILE A 81 -15.295 -7.066 6.171 1.00 0.48 H new ATOM 0 HG22 ILE A 81 -15.417 -7.728 4.524 1.00 0.48 H new ATOM 0 HG23 ILE A 81 -13.839 -7.201 5.157 1.00 0.48 H new ATOM 0 HD11 ILE A 81 -12.649 -3.985 6.400 1.00 0.44 H new ATOM 0 HD12 ILE A 81 -12.867 -5.740 6.201 1.00 0.44 H new ATOM 0 HD13 ILE A 81 -12.514 -4.721 4.786 1.00 0.44 H new ATOM 1199 N SER A 82 -14.089 -7.536 2.057 1.00 0.41 N ATOM 1200 CA SER A 82 -14.342 -8.770 1.340 1.00 0.47 C ATOM 1201 C SER A 82 -15.273 -9.674 2.136 1.00 0.54 C ATOM 1202 O SER A 82 -15.071 -9.897 3.329 1.00 0.61 O ATOM 1203 CB SER A 82 -13.018 -9.488 1.075 1.00 0.57 C ATOM 1204 OG SER A 82 -13.225 -10.805 0.594 1.00 0.79 O ATOM 0 H SER A 82 -13.111 -7.396 2.312 1.00 0.41 H new ATOM 0 HA SER A 82 -14.824 -8.532 0.392 1.00 0.47 H new ATOM 0 HB2 SER A 82 -12.436 -8.922 0.348 1.00 0.57 H new ATOM 0 HB3 SER A 82 -12.433 -9.524 1.994 1.00 0.57 H new ATOM 0 HG SER A 82 -12.380 -11.166 0.254 1.00 0.79 H new ATOM 1210 N LYS A 83 -16.293 -10.184 1.467 1.00 0.65 N ATOM 1211 CA LYS A 83 -17.219 -11.120 2.080 1.00 0.80 C ATOM 1212 C LYS A 83 -16.543 -12.473 2.254 1.00 0.81 C ATOM 1213 O LYS A 83 -16.917 -13.267 3.116 1.00 0.91 O ATOM 1214 CB LYS A 83 -18.473 -11.267 1.220 1.00 0.98 C ATOM 1215 CG LYS A 83 -19.217 -9.961 0.999 1.00 1.06 C ATOM 1216 CD LYS A 83 -20.398 -10.147 0.063 1.00 1.34 C ATOM 1217 CE LYS A 83 -21.094 -8.827 -0.236 1.00 2.08 C ATOM 1218 NZ LYS A 83 -21.647 -8.192 0.991 1.00 2.62 N ATOM 0 H LYS A 83 -16.501 -9.964 0.493 1.00 0.65 H new ATOM 0 HA LYS A 83 -17.512 -10.738 3.058 1.00 0.80 H new ATOM 0 HB2 LYS A 83 -18.193 -11.684 0.253 1.00 0.98 H new ATOM 0 HB3 LYS A 83 -19.145 -11.983 1.693 1.00 0.98 H new ATOM 0 HG2 LYS A 83 -19.567 -9.574 1.956 1.00 1.06 H new ATOM 0 HG3 LYS A 83 -18.536 -9.218 0.584 1.00 1.06 H new ATOM 0 HD2 LYS A 83 -20.056 -10.597 -0.869 1.00 1.34 H new ATOM 0 HD3 LYS A 83 -21.110 -10.841 0.510 1.00 1.34 H new ATOM 0 HE2 LYS A 83 -20.388 -8.145 -0.709 1.00 2.08 H new ATOM 0 HE3 LYS A 83 -21.900 -8.997 -0.950 1.00 2.08 H new ATOM 0 HZ1 LYS A 83 -22.226 -7.370 0.726 1.00 2.62 H new ATOM 0 HZ2 LYS A 83 -22.236 -8.880 1.503 1.00 2.62 H new ATOM 0 HZ3 LYS A 83 -20.866 -7.882 1.604 1.00 2.62 H new ATOM 1232 N LEU A 84 -15.531 -12.719 1.430 1.00 0.76 N ATOM 1233 CA LEU A 84 -14.818 -13.984 1.442 1.00 0.81 C ATOM 1234 C LEU A 84 -13.704 -13.987 2.485 1.00 0.76 C ATOM 1235 O LEU A 84 -13.678 -14.839 3.370 1.00 0.81 O ATOM 1236 CB LEU A 84 -14.234 -14.258 0.057 1.00 0.90 C ATOM 1237 CG LEU A 84 -15.259 -14.372 -1.076 1.00 1.05 C ATOM 1238 CD1 LEU A 84 -14.556 -14.465 -2.421 1.00 1.34 C ATOM 1239 CD2 LEU A 84 -16.161 -15.582 -0.868 1.00 1.25 C ATOM 0 H LEU A 84 -15.186 -12.051 0.741 1.00 0.76 H new ATOM 0 HA LEU A 84 -15.526 -14.770 1.706 1.00 0.81 H new ATOM 0 HB2 LEU A 84 -13.534 -13.460 -0.188 1.00 0.90 H new ATOM 0 HB3 LEU A 84 -13.660 -15.184 0.100 1.00 0.90 H new ATOM 0 HG LEU A 84 -15.878 -13.475 -1.066 1.00 1.05 H new ATOM 0 HD11 LEU A 84 -15.299 -14.545 -3.215 1.00 1.34 H new ATOM 0 HD12 LEU A 84 -13.952 -13.571 -2.578 1.00 1.34 H new ATOM 0 HD13 LEU A 84 -13.913 -15.345 -2.435 1.00 1.34 H new ATOM 0 HD21 LEU A 84 -16.881 -15.644 -1.684 1.00 1.25 H new ATOM 0 HD22 LEU A 84 -15.556 -16.488 -0.849 1.00 1.25 H new ATOM 0 HD23 LEU A 84 -16.693 -15.481 0.078 1.00 1.25 H new ATOM 1251 N ASP A 85 -12.795 -13.024 2.392 1.00 0.72 N ATOM 1252 CA ASP A 85 -11.607 -13.020 3.249 1.00 0.75 C ATOM 1253 C ASP A 85 -11.748 -12.052 4.413 1.00 0.66 C ATOM 1254 O ASP A 85 -11.117 -12.223 5.456 1.00 0.70 O ATOM 1255 CB ASP A 85 -10.353 -12.652 2.453 1.00 0.85 C ATOM 1256 CG ASP A 85 -10.119 -13.553 1.260 1.00 1.04 C ATOM 1257 OD1 ASP A 85 -10.393 -13.120 0.122 1.00 1.47 O ATOM 1258 OD2 ASP A 85 -9.657 -14.696 1.452 1.00 1.42 O ATOM 0 H ASP A 85 -12.852 -12.242 1.740 1.00 0.72 H new ATOM 0 HA ASP A 85 -11.510 -14.032 3.642 1.00 0.75 H new ATOM 0 HB2 ASP A 85 -10.438 -11.621 2.110 1.00 0.85 H new ATOM 0 HB3 ASP A 85 -9.486 -12.699 3.111 1.00 0.85 H new ATOM 1263 N GLY A 86 -12.592 -11.046 4.242 1.00 0.59 N ATOM 1264 CA GLY A 86 -12.693 -9.984 5.227 1.00 0.56 C ATOM 1265 C GLY A 86 -11.650 -8.904 5.014 1.00 0.48 C ATOM 1266 O GLY A 86 -11.546 -7.963 5.800 1.00 0.50 O ATOM 0 H GLY A 86 -13.211 -10.944 3.438 1.00 0.59 H new ATOM 0 HA2 GLY A 86 -13.688 -9.541 5.180 1.00 0.56 H new ATOM 0 HA3 GLY A 86 -12.579 -10.405 6.226 1.00 0.56 H new ATOM 1270 N ARG A 87 -10.877 -9.043 3.947 1.00 0.43 N ATOM 1271 CA ARG A 87 -9.835 -8.083 3.622 1.00 0.39 C ATOM 1272 C ARG A 87 -10.414 -6.896 2.864 1.00 0.33 C ATOM 1273 O ARG A 87 -11.400 -7.032 2.139 1.00 0.36 O ATOM 1274 CB ARG A 87 -8.747 -8.757 2.784 1.00 0.46 C ATOM 1275 CG ARG A 87 -8.037 -9.878 3.520 1.00 0.58 C ATOM 1276 CD ARG A 87 -6.971 -10.536 2.665 1.00 0.96 C ATOM 1277 NE ARG A 87 -6.289 -11.603 3.394 1.00 1.25 N ATOM 1278 CZ ARG A 87 -5.346 -12.388 2.877 1.00 1.81 C ATOM 1279 NH1 ARG A 87 -4.952 -12.226 1.621 1.00 2.25 N ATOM 1280 NH2 ARG A 87 -4.800 -13.337 3.627 1.00 2.10 N ATOM 0 H ARG A 87 -10.954 -9.818 3.288 1.00 0.43 H new ATOM 0 HA ARG A 87 -9.398 -7.719 4.552 1.00 0.39 H new ATOM 0 HB2 ARG A 87 -9.193 -9.154 1.872 1.00 0.46 H new ATOM 0 HB3 ARG A 87 -8.015 -8.009 2.481 1.00 0.46 H new ATOM 0 HG2 ARG A 87 -7.581 -9.483 4.428 1.00 0.58 H new ATOM 0 HG3 ARG A 87 -8.766 -10.627 3.830 1.00 0.58 H new ATOM 0 HD2 ARG A 87 -7.426 -10.943 1.762 1.00 0.96 H new ATOM 0 HD3 ARG A 87 -6.245 -9.788 2.347 1.00 0.96 H new ATOM 0 HE ARG A 87 -6.554 -11.757 4.367 1.00 1.25 H new ATOM 0 HH11 ARG A 87 -5.372 -11.497 1.045 1.00 2.25 H new ATOM 0 HH12 ARG A 87 -4.229 -12.831 1.231 1.00 2.25 H new ATOM 0 HH21 ARG A 87 -5.103 -13.461 4.593 1.00 2.10 H new ATOM 0 HH22 ARG A 87 -4.077 -13.942 3.238 1.00 2.10 H new ATOM 1294 N LEU A 88 -9.812 -5.734 3.055 1.00 0.28 N ATOM 1295 CA LEU A 88 -10.228 -4.533 2.345 1.00 0.26 C ATOM 1296 C LEU A 88 -9.855 -4.628 0.874 1.00 0.24 C ATOM 1297 O LEU A 88 -8.684 -4.788 0.531 1.00 0.28 O ATOM 1298 CB LEU A 88 -9.574 -3.296 2.958 1.00 0.27 C ATOM 1299 CG LEU A 88 -10.111 -2.874 4.321 1.00 0.35 C ATOM 1300 CD1 LEU A 88 -9.085 -2.021 5.045 1.00 0.44 C ATOM 1301 CD2 LEU A 88 -11.410 -2.098 4.163 1.00 0.44 C ATOM 0 H LEU A 88 -9.032 -5.595 3.697 1.00 0.28 H new ATOM 0 HA LEU A 88 -11.311 -4.445 2.434 1.00 0.26 H new ATOM 0 HB2 LEU A 88 -8.504 -3.481 3.051 1.00 0.27 H new ATOM 0 HB3 LEU A 88 -9.695 -2.463 2.266 1.00 0.27 H new ATOM 0 HG LEU A 88 -10.308 -3.771 4.909 1.00 0.35 H new ATOM 0 HD11 LEU A 88 -9.479 -1.725 6.017 1.00 0.44 H new ATOM 0 HD12 LEU A 88 -8.168 -2.594 5.184 1.00 0.44 H new ATOM 0 HD13 LEU A 88 -8.870 -1.130 4.454 1.00 0.44 H new ATOM 0 HD21 LEU A 88 -11.780 -1.804 5.145 1.00 0.44 H new ATOM 0 HD22 LEU A 88 -11.231 -1.207 3.561 1.00 0.44 H new ATOM 0 HD23 LEU A 88 -12.151 -2.726 3.669 1.00 0.44 H new ATOM 1313 N SER A 89 -10.848 -4.530 0.010 1.00 0.22 N ATOM 1314 CA SER A 89 -10.619 -4.599 -1.422 1.00 0.23 C ATOM 1315 C SER A 89 -11.243 -3.388 -2.109 1.00 0.21 C ATOM 1316 O SER A 89 -12.359 -2.982 -1.777 1.00 0.22 O ATOM 1317 CB SER A 89 -11.193 -5.901 -1.990 1.00 0.28 C ATOM 1318 OG SER A 89 -10.803 -6.087 -3.341 1.00 0.55 O ATOM 0 H SER A 89 -11.824 -4.402 0.276 1.00 0.22 H new ATOM 0 HA SER A 89 -9.545 -4.589 -1.611 1.00 0.23 H new ATOM 0 HB2 SER A 89 -10.851 -6.744 -1.390 1.00 0.28 H new ATOM 0 HB3 SER A 89 -12.281 -5.882 -1.922 1.00 0.28 H new ATOM 0 HG SER A 89 -10.027 -6.685 -3.378 1.00 0.55 H new ATOM 1324 N CYS A 90 -10.500 -2.785 -3.030 1.00 0.22 N ATOM 1325 CA CYS A 90 -10.963 -1.592 -3.728 1.00 0.24 C ATOM 1326 C CYS A 90 -11.778 -1.976 -4.964 1.00 0.27 C ATOM 1327 O CYS A 90 -11.664 -3.093 -5.474 1.00 0.31 O ATOM 1328 CB CYS A 90 -9.770 -0.714 -4.136 1.00 0.25 C ATOM 1329 SG CYS A 90 -8.769 -1.394 -5.478 1.00 0.28 S ATOM 0 H CYS A 90 -9.573 -3.104 -3.311 1.00 0.22 H new ATOM 0 HA CYS A 90 -11.602 -1.025 -3.051 1.00 0.24 H new ATOM 0 HB2 CYS A 90 -10.141 0.266 -4.436 1.00 0.25 H new ATOM 0 HB3 CYS A 90 -9.133 -0.560 -3.265 1.00 0.25 H new ATOM 1334 N THR A 91 -12.586 -1.037 -5.448 1.00 0.30 N ATOM 1335 CA THR A 91 -13.438 -1.263 -6.610 1.00 0.36 C ATOM 1336 C THR A 91 -12.635 -1.287 -7.906 1.00 0.43 C ATOM 1337 O THR A 91 -13.191 -1.456 -8.989 1.00 0.54 O ATOM 1338 CB THR A 91 -14.520 -0.176 -6.721 1.00 0.39 C ATOM 1339 OG1 THR A 91 -13.925 1.124 -6.567 1.00 0.43 O ATOM 1340 CG2 THR A 91 -15.601 -0.379 -5.675 1.00 0.38 C ATOM 0 H THR A 91 -12.668 -0.102 -5.048 1.00 0.30 H new ATOM 0 HA THR A 91 -13.906 -2.237 -6.466 1.00 0.36 H new ATOM 0 HB THR A 91 -14.980 -0.248 -7.707 1.00 0.39 H new ATOM 0 HG1 THR A 91 -13.336 1.307 -7.329 1.00 0.43 H new ATOM 0 HG21 THR A 91 -16.355 0.402 -5.774 1.00 0.38 H new ATOM 0 HG22 THR A 91 -16.068 -1.354 -5.818 1.00 0.38 H new ATOM 0 HG23 THR A 91 -15.158 -0.332 -4.680 1.00 0.38 H new ATOM 1348 N GLU A 92 -11.324 -1.121 -7.788 1.00 0.43 N ATOM 1349 CA GLU A 92 -10.455 -1.058 -8.950 1.00 0.52 C ATOM 1350 C GLU A 92 -9.977 -2.449 -9.341 1.00 0.51 C ATOM 1351 O GLU A 92 -9.100 -2.606 -10.192 1.00 0.63 O ATOM 1352 CB GLU A 92 -9.267 -0.139 -8.669 1.00 0.56 C ATOM 1353 CG GLU A 92 -9.684 1.270 -8.272 1.00 0.66 C ATOM 1354 CD GLU A 92 -10.615 1.903 -9.285 1.00 1.38 C ATOM 1355 OE1 GLU A 92 -11.844 1.891 -9.062 1.00 2.13 O ATOM 1356 OE2 GLU A 92 -10.121 2.426 -10.307 1.00 1.54 O ATOM 0 H GLU A 92 -10.840 -1.028 -6.895 1.00 0.43 H new ATOM 0 HA GLU A 92 -11.022 -0.649 -9.786 1.00 0.52 H new ATOM 0 HB2 GLU A 92 -8.662 -0.571 -7.872 1.00 0.56 H new ATOM 0 HB3 GLU A 92 -8.636 -0.089 -9.557 1.00 0.56 H new ATOM 0 HG2 GLU A 92 -10.176 1.240 -7.300 1.00 0.66 H new ATOM 0 HG3 GLU A 92 -8.795 1.891 -8.161 1.00 0.66 H new ATOM 1363 N HIS A 93 -10.564 -3.456 -8.718 1.00 0.49 N ATOM 1364 CA HIS A 93 -10.230 -4.839 -9.010 1.00 0.53 C ATOM 1365 C HIS A 93 -11.411 -5.529 -9.679 1.00 0.67 C ATOM 1366 O HIS A 93 -12.539 -5.452 -9.190 1.00 0.85 O ATOM 1367 CB HIS A 93 -9.851 -5.590 -7.728 1.00 0.45 C ATOM 1368 CG HIS A 93 -8.655 -5.036 -7.017 1.00 0.37 C ATOM 1369 ND1 HIS A 93 -7.630 -4.352 -7.635 1.00 0.39 N ATOM 1370 CD2 HIS A 93 -8.320 -5.105 -5.706 1.00 0.33 C ATOM 1371 CE1 HIS A 93 -6.726 -4.035 -6.698 1.00 0.36 C ATOM 1372 NE2 HIS A 93 -7.094 -4.471 -5.510 1.00 0.32 N ATOM 0 H HIS A 93 -11.280 -3.340 -8.001 1.00 0.49 H new ATOM 0 HA HIS A 93 -9.374 -4.849 -9.685 1.00 0.53 H new ATOM 0 HB2 HIS A 93 -10.702 -5.575 -7.047 1.00 0.45 H new ATOM 0 HB3 HIS A 93 -9.660 -6.634 -7.976 1.00 0.45 H new ATOM 0 HD1 HIS A 93 -7.570 -4.127 -8.628 1.00 0.39 H new ATOM 0 HD2 HIS A 93 -8.910 -5.577 -4.934 1.00 0.33 H new ATOM 0 HE1 HIS A 93 -5.813 -3.492 -6.892 1.00 0.36 H new ATOM 1380 N ASP A 94 -11.156 -6.174 -10.804 1.00 0.83 N ATOM 1381 CA ASP A 94 -12.187 -6.904 -11.522 1.00 1.02 C ATOM 1382 C ASP A 94 -12.059 -8.395 -11.254 1.00 1.33 C ATOM 1383 O ASP A 94 -11.057 -8.993 -11.694 1.00 1.92 O ATOM 1384 CB ASP A 94 -12.090 -6.626 -13.021 1.00 1.54 C ATOM 1385 CG ASP A 94 -13.098 -7.421 -13.824 1.00 2.05 C ATOM 1386 OD1 ASP A 94 -14.299 -7.084 -13.785 1.00 2.40 O ATOM 1387 OD2 ASP A 94 -12.688 -8.376 -14.516 1.00 2.65 O ATOM 1388 OXT ASP A 94 -12.955 -8.966 -10.602 1.00 1.91 O ATOM 0 H ASP A 94 -10.236 -6.207 -11.243 1.00 0.83 H new ATOM 0 HA ASP A 94 -13.162 -6.567 -11.169 1.00 1.02 H new ATOM 0 HB2 ASP A 94 -12.245 -5.562 -13.201 1.00 1.54 H new ATOM 0 HB3 ASP A 94 -11.084 -6.865 -13.367 1.00 1.54 H new TER 1393 ASP A 94 HETATM 1394 ZN ZN A 101 7.369 -4.614 -6.938 1.00 0.35 ZN HETATM 1395 ZN ZN A 102 4.255 2.849 4.852 1.00 0.29 ZN HETATM 1396 ZN ZN A 103 -8.955 11.178 -0.884 1.00 0.26 ZN HETATM 1397 ZN ZN A 104 -7.058 -2.672 -4.635 1.00 0.27 ZN