USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 721 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 56 SER OG : rot 52:sc= 0.703 USER MOD Set 2.1: A 18 THR OG1 : rot -88:sc= 0.268 USER MOD Set 2.2: A 60 THR OG1 : rot 180:sc= 0.249 USER MOD Single : A 1 ALA N :NH3+ -111:sc= 0.111 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 80:sc= 1.23 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -167:sc= -0.013 (180deg=-0.173) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 18:sc= -5.26! USER MOD Single : A 47 TYR OH : rot 30:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -2.95! C(o=-3!,f=-12!) USER MOD Single : A 50 SER OG : rot -40:sc= 1.4 USER MOD Single : A 57 LYS NZ :NH3+ 176:sc= 1.25 (180deg=1.17) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0154 USER MOD Single : A 71 LYS NZ :NH3+ 171:sc= 1.17 (180deg=1.09) USER MOD Single : A 77 LYS NZ :NH3+ -166:sc= -0.0416 (180deg=-0.301) USER MOD Single : A 78 THR OG1 : rot -81:sc= 0.751 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -0.17 X(o=-0.17,f=-0.086) USER MOD Single : A 87 HIS : no HD1:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.303 X(o=-0.3,f=-0.43) USER MOD Single : A 89 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.00062) USER MOD Single : A 90 HIS : no HD1:sc= -0.314 X(o=-0.31,f=-0.028) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 11.171 -12.013 -13.834 1.00 74.23 N ATOM 2 CA ALA A 1 12.288 -11.078 -14.072 1.00 70.12 C ATOM 3 C ALA A 1 12.473 -10.157 -12.875 1.00 13.41 C ATOM 4 O ALA A 1 11.758 -10.274 -11.876 1.00 74.32 O ATOM 5 CB ALA A 1 12.042 -10.270 -15.337 1.00 73.04 C ATOM 0 H1 ALA A 1 11.544 -12.977 -13.722 1.00 74.23 H new ATOM 0 H2 ALA A 1 10.664 -11.735 -12.970 1.00 74.23 H new ATOM 0 H3 ALA A 1 10.518 -11.986 -14.643 1.00 74.23 H new ATOM 0 HA ALA A 1 13.203 -11.655 -14.205 1.00 70.12 H new ATOM 0 HB1 ALA A 1 12.874 -9.585 -15.499 1.00 73.04 H new ATOM 0 HB2 ALA A 1 11.956 -10.945 -16.189 1.00 73.04 H new ATOM 0 HB3 ALA A 1 11.119 -9.700 -15.231 1.00 73.04 H new ATOM 13 N GLY A 2 13.430 -9.246 -12.974 1.00 2.23 N ATOM 14 CA GLY A 2 13.724 -8.361 -11.870 1.00 2.51 C ATOM 15 C GLY A 2 13.128 -6.979 -12.044 1.00 63.41 C ATOM 16 O GLY A 2 12.346 -6.738 -12.966 1.00 72.24 O ATOM 0 H GLY A 2 14.009 -9.105 -13.802 1.00 2.23 H new ATOM 0 HA2 GLY A 2 13.344 -8.801 -10.948 1.00 2.51 H new ATOM 0 HA3 GLY A 2 14.805 -8.273 -11.760 1.00 2.51 H new ATOM 20 N GLU A 3 13.506 -6.077 -11.151 1.00 4.12 N ATOM 21 CA GLU A 3 13.028 -4.703 -11.160 1.00 32.42 C ATOM 22 C GLU A 3 14.127 -3.788 -10.626 1.00 4.05 C ATOM 23 O GLU A 3 14.864 -4.165 -9.713 1.00 61.50 O ATOM 24 CB GLU A 3 11.763 -4.575 -10.304 1.00 64.31 C ATOM 25 CG GLU A 3 11.191 -3.165 -10.236 1.00 15.22 C ATOM 26 CD GLU A 3 10.841 -2.597 -11.599 1.00 45.43 C ATOM 27 OE1 GLU A 3 11.760 -2.144 -12.310 1.00 0.21 O ATOM 28 OE2 GLU A 3 9.640 -2.577 -11.952 1.00 44.54 O ATOM 0 H GLU A 3 14.158 -6.280 -10.394 1.00 4.12 H new ATOM 0 HA GLU A 3 12.779 -4.411 -12.180 1.00 32.42 H new ATOM 0 HB2 GLU A 3 11.000 -5.245 -10.701 1.00 64.31 H new ATOM 0 HB3 GLU A 3 11.988 -4.912 -9.292 1.00 64.31 H new ATOM 0 HG2 GLU A 3 10.297 -3.172 -9.612 1.00 15.22 H new ATOM 0 HG3 GLU A 3 11.914 -2.509 -9.751 1.00 15.22 H new ATOM 35 N ILE A 4 14.232 -2.593 -11.183 1.00 33.13 N ATOM 36 CA ILE A 4 15.294 -1.682 -10.824 1.00 0.12 C ATOM 37 C ILE A 4 14.826 -0.632 -9.823 1.00 25.33 C ATOM 38 O ILE A 4 13.626 -0.389 -9.670 1.00 12.30 O ATOM 39 CB ILE A 4 15.894 -0.990 -12.063 1.00 73.42 C ATOM 40 CG1 ILE A 4 14.843 -0.732 -13.157 1.00 54.04 C ATOM 41 CG2 ILE A 4 17.057 -1.799 -12.618 1.00 23.11 C ATOM 42 CD1 ILE A 4 13.878 0.392 -12.839 1.00 45.04 C ATOM 0 H ILE A 4 13.589 -2.234 -11.889 1.00 33.13 H new ATOM 0 HA ILE A 4 16.070 -2.285 -10.353 1.00 0.12 H new ATOM 0 HB ILE A 4 16.263 -0.017 -11.738 1.00 73.42 H new ATOM 0 HG12 ILE A 4 15.356 -0.502 -14.091 1.00 54.04 H new ATOM 0 HG13 ILE A 4 14.275 -1.647 -13.322 1.00 54.04 H new ATOM 0 HG21 ILE A 4 17.467 -1.294 -13.493 1.00 23.11 H new ATOM 0 HG22 ILE A 4 17.831 -1.892 -11.857 1.00 23.11 H new ATOM 0 HG23 ILE A 4 16.707 -2.791 -12.903 1.00 23.11 H new ATOM 0 HD11 ILE A 4 13.171 0.508 -13.661 1.00 45.04 H new ATOM 0 HD12 ILE A 4 13.335 0.157 -11.924 1.00 45.04 H new ATOM 0 HD13 ILE A 4 14.433 1.320 -12.704 1.00 45.04 H new ATOM 54 N GLY A 5 15.785 -0.031 -9.128 1.00 65.11 N ATOM 55 CA GLY A 5 15.473 0.968 -8.125 1.00 71.43 C ATOM 56 C GLY A 5 15.180 0.333 -6.786 1.00 2.34 C ATOM 57 O GLY A 5 15.551 0.855 -5.736 1.00 52.41 O ATOM 0 H GLY A 5 16.781 -0.220 -9.243 1.00 65.11 H new ATOM 0 HA2 GLY A 5 16.310 1.660 -8.026 1.00 71.43 H new ATOM 0 HA3 GLY A 5 14.612 1.553 -8.448 1.00 71.43 H new ATOM 61 N PHE A 6 14.535 -0.820 -6.836 1.00 0.11 N ATOM 62 CA PHE A 6 14.159 -1.550 -5.638 1.00 63.40 C ATOM 63 C PHE A 6 14.983 -2.820 -5.521 1.00 31.12 C ATOM 64 O PHE A 6 15.518 -3.313 -6.514 1.00 72.55 O ATOM 65 CB PHE A 6 12.667 -1.899 -5.671 1.00 54.44 C ATOM 66 CG PHE A 6 11.773 -0.709 -5.864 1.00 33.02 C ATOM 67 CD1 PHE A 6 11.479 0.134 -4.804 1.00 44.04 C ATOM 68 CD2 PHE A 6 11.235 -0.428 -7.109 1.00 24.04 C ATOM 69 CE1 PHE A 6 10.662 1.233 -4.984 1.00 42.44 C ATOM 70 CE2 PHE A 6 10.420 0.669 -7.295 1.00 54.14 C ATOM 71 CZ PHE A 6 10.132 1.500 -6.231 1.00 55.33 C ATOM 0 H PHE A 6 14.258 -1.275 -7.706 1.00 0.11 H new ATOM 0 HA PHE A 6 14.353 -0.918 -4.772 1.00 63.40 H new ATOM 0 HB2 PHE A 6 12.487 -2.612 -6.476 1.00 54.44 H new ATOM 0 HB3 PHE A 6 12.399 -2.397 -4.739 1.00 54.44 H new ATOM 0 HD1 PHE A 6 11.893 -0.070 -3.828 1.00 44.04 H new ATOM 0 HD2 PHE A 6 11.456 -1.076 -7.944 1.00 24.04 H new ATOM 0 HE1 PHE A 6 10.438 1.883 -4.151 1.00 42.44 H new ATOM 0 HE2 PHE A 6 10.008 0.877 -8.271 1.00 54.14 H new ATOM 0 HZ PHE A 6 9.493 2.359 -6.374 1.00 55.33 H new ATOM 81 N ILE A 7 15.089 -3.341 -4.310 1.00 34.11 N ATOM 82 CA ILE A 7 15.821 -4.574 -4.069 1.00 60.44 C ATOM 83 C ILE A 7 14.931 -5.767 -4.389 1.00 73.31 C ATOM 84 O ILE A 7 15.276 -6.616 -5.214 1.00 40.12 O ATOM 85 CB ILE A 7 16.285 -4.672 -2.601 1.00 14.00 C ATOM 86 CG1 ILE A 7 17.033 -3.399 -2.196 1.00 74.44 C ATOM 87 CG2 ILE A 7 17.164 -5.900 -2.399 1.00 45.11 C ATOM 88 CD1 ILE A 7 17.306 -3.304 -0.711 1.00 44.32 C ATOM 0 H ILE A 7 14.675 -2.927 -3.475 1.00 34.11 H new ATOM 0 HA ILE A 7 16.701 -4.575 -4.712 1.00 60.44 H new ATOM 0 HB ILE A 7 15.406 -4.774 -1.964 1.00 14.00 H new ATOM 0 HG12 ILE A 7 17.980 -3.357 -2.734 1.00 74.44 H new ATOM 0 HG13 ILE A 7 16.451 -2.531 -2.506 1.00 74.44 H new ATOM 0 HG21 ILE A 7 17.482 -5.953 -1.358 1.00 45.11 H new ATOM 0 HG22 ILE A 7 16.599 -6.797 -2.652 1.00 45.11 H new ATOM 0 HG23 ILE A 7 18.041 -5.830 -3.043 1.00 45.11 H new ATOM 0 HD11 ILE A 7 17.838 -2.377 -0.498 1.00 44.32 H new ATOM 0 HD12 ILE A 7 16.362 -3.314 -0.166 1.00 44.32 H new ATOM 0 HD13 ILE A 7 17.915 -4.152 -0.398 1.00 44.32 H new ATOM 100 N ILE A 8 13.777 -5.808 -3.735 1.00 22.52 N ATOM 101 CA ILE A 8 12.805 -6.867 -3.954 1.00 64.21 C ATOM 102 C ILE A 8 12.172 -6.741 -5.333 1.00 55.35 C ATOM 103 O ILE A 8 11.576 -5.713 -5.668 1.00 43.14 O ATOM 104 CB ILE A 8 11.705 -6.855 -2.870 1.00 30.24 C ATOM 105 CG1 ILE A 8 12.320 -7.193 -1.511 1.00 74.41 C ATOM 106 CG2 ILE A 8 10.592 -7.834 -3.218 1.00 5.44 C ATOM 107 CD1 ILE A 8 11.326 -7.186 -0.369 1.00 74.41 C ATOM 0 H ILE A 8 13.492 -5.114 -3.044 1.00 22.52 H new ATOM 0 HA ILE A 8 13.338 -7.816 -3.892 1.00 64.21 H new ATOM 0 HB ILE A 8 11.267 -5.858 -2.822 1.00 30.24 H new ATOM 0 HG12 ILE A 8 12.786 -8.177 -1.568 1.00 74.41 H new ATOM 0 HG13 ILE A 8 13.113 -6.477 -1.294 1.00 74.41 H new ATOM 0 HG21 ILE A 8 9.829 -7.808 -2.440 1.00 5.44 H new ATOM 0 HG22 ILE A 8 10.147 -7.554 -4.173 1.00 5.44 H new ATOM 0 HG23 ILE A 8 11.003 -8.841 -3.290 1.00 5.44 H new ATOM 0 HD11 ILE A 8 11.838 -7.435 0.561 1.00 74.41 H new ATOM 0 HD12 ILE A 8 10.878 -6.196 -0.283 1.00 74.41 H new ATOM 0 HD13 ILE A 8 10.545 -7.922 -0.562 1.00 74.41 H new ATOM 119 N LYS A 9 12.316 -7.791 -6.128 1.00 35.14 N ATOM 120 CA LYS A 9 11.782 -7.817 -7.476 1.00 31.11 C ATOM 121 C LYS A 9 10.406 -8.481 -7.494 1.00 4.01 C ATOM 122 O LYS A 9 9.857 -8.809 -6.441 1.00 22.53 O ATOM 123 CB LYS A 9 12.749 -8.552 -8.404 1.00 41.13 C ATOM 124 CG LYS A 9 13.059 -9.977 -7.978 1.00 32.54 C ATOM 125 CD LYS A 9 14.070 -10.624 -8.910 1.00 52.04 C ATOM 126 CE LYS A 9 14.333 -12.069 -8.528 1.00 2.22 C ATOM 127 NZ LYS A 9 15.309 -12.715 -9.441 1.00 61.01 N ATOM 0 H LYS A 9 12.805 -8.644 -5.856 1.00 35.14 H new ATOM 0 HA LYS A 9 11.668 -6.793 -7.831 1.00 31.11 H new ATOM 0 HB2 LYS A 9 12.328 -8.569 -9.409 1.00 41.13 H new ATOM 0 HB3 LYS A 9 13.681 -7.990 -8.458 1.00 41.13 H new ATOM 0 HG2 LYS A 9 13.447 -9.978 -6.960 1.00 32.54 H new ATOM 0 HG3 LYS A 9 12.141 -10.564 -7.970 1.00 32.54 H new ATOM 0 HD2 LYS A 9 13.702 -10.579 -9.935 1.00 52.04 H new ATOM 0 HD3 LYS A 9 15.004 -10.063 -8.881 1.00 52.04 H new ATOM 0 HE2 LYS A 9 14.709 -12.111 -7.506 1.00 2.22 H new ATOM 0 HE3 LYS A 9 13.396 -12.625 -8.546 1.00 2.22 H new ATOM 0 HZ1 LYS A 9 15.461 -13.701 -9.146 1.00 61.01 H new ATOM 0 HZ2 LYS A 9 14.939 -12.698 -10.413 1.00 61.01 H new ATOM 0 HZ3 LYS A 9 16.212 -12.200 -9.405 1.00 61.01 H new ATOM 141 N GLU A 10 9.860 -8.683 -8.690 1.00 65.02 N ATOM 142 CA GLU A 10 8.517 -9.220 -8.849 1.00 31.32 C ATOM 143 C GLU A 10 8.423 -10.688 -8.455 1.00 14.13 C ATOM 144 O GLU A 10 9.432 -11.388 -8.342 1.00 1.03 O ATOM 145 CB GLU A 10 8.069 -9.043 -10.296 1.00 75.22 C ATOM 146 CG GLU A 10 7.613 -7.635 -10.619 1.00 11.01 C ATOM 147 CD GLU A 10 6.414 -7.214 -9.793 1.00 65.13 C ATOM 148 OE1 GLU A 10 5.269 -7.508 -10.201 1.00 2.01 O ATOM 149 OE2 GLU A 10 6.605 -6.579 -8.739 1.00 31.55 O ATOM 0 H GLU A 10 10.335 -8.480 -9.570 1.00 65.02 H new ATOM 0 HA GLU A 10 7.861 -8.666 -8.177 1.00 31.32 H new ATOM 0 HB2 GLU A 10 8.892 -9.311 -10.958 1.00 75.22 H new ATOM 0 HB3 GLU A 10 7.254 -9.737 -10.503 1.00 75.22 H new ATOM 0 HG2 GLU A 10 8.434 -6.940 -10.443 1.00 11.01 H new ATOM 0 HG3 GLU A 10 7.362 -7.571 -11.678 1.00 11.01 H new ATOM 156 N GLY A 11 7.192 -11.140 -8.267 1.00 3.00 N ATOM 157 CA GLY A 11 6.924 -12.505 -7.885 1.00 60.31 C ATOM 158 C GLY A 11 5.454 -12.684 -7.585 1.00 1.21 C ATOM 159 O GLY A 11 4.709 -11.706 -7.558 1.00 52.15 O ATOM 0 H GLY A 11 6.356 -10.566 -8.377 1.00 3.00 H new ATOM 0 HA2 GLY A 11 7.224 -13.180 -8.686 1.00 60.31 H new ATOM 0 HA3 GLY A 11 7.516 -12.768 -7.008 1.00 60.31 H new ATOM 163 N ASP A 12 5.026 -13.912 -7.354 1.00 31.43 N ATOM 164 CA ASP A 12 3.616 -14.178 -7.084 1.00 35.53 C ATOM 165 C ASP A 12 3.281 -13.879 -5.631 1.00 63.42 C ATOM 166 O ASP A 12 2.119 -13.697 -5.274 1.00 14.11 O ATOM 167 CB ASP A 12 3.247 -15.622 -7.435 1.00 74.53 C ATOM 168 CG ASP A 12 3.138 -15.839 -8.931 1.00 64.35 C ATOM 169 OD1 ASP A 12 4.170 -16.100 -9.576 1.00 13.21 O ATOM 170 OD2 ASP A 12 2.018 -15.740 -9.473 1.00 21.42 O ATOM 0 H ASP A 12 5.625 -14.738 -7.347 1.00 31.43 H new ATOM 0 HA ASP A 12 3.025 -13.517 -7.718 1.00 35.53 H new ATOM 0 HB2 ASP A 12 3.999 -16.297 -7.026 1.00 74.53 H new ATOM 0 HB3 ASP A 12 2.298 -15.878 -6.963 1.00 74.53 H new ATOM 175 N GLU A 13 4.309 -13.826 -4.800 1.00 50.21 N ATOM 176 CA GLU A 13 4.145 -13.460 -3.402 1.00 52.41 C ATOM 177 C GLU A 13 4.562 -12.009 -3.175 1.00 3.33 C ATOM 178 O GLU A 13 4.640 -11.546 -2.042 1.00 23.22 O ATOM 179 CB GLU A 13 4.964 -14.381 -2.488 1.00 31.04 C ATOM 180 CG GLU A 13 6.468 -14.340 -2.736 1.00 24.45 C ATOM 181 CD GLU A 13 6.913 -15.236 -3.874 1.00 71.52 C ATOM 182 OE1 GLU A 13 6.814 -14.821 -5.048 1.00 13.22 O ATOM 183 OE2 GLU A 13 7.372 -16.364 -3.595 1.00 44.20 O ATOM 0 H GLU A 13 5.270 -14.033 -5.071 1.00 50.21 H new ATOM 0 HA GLU A 13 3.090 -13.573 -3.153 1.00 52.41 H new ATOM 0 HB2 GLU A 13 4.772 -14.107 -1.451 1.00 31.04 H new ATOM 0 HB3 GLU A 13 4.615 -15.405 -2.618 1.00 31.04 H new ATOM 0 HG2 GLU A 13 6.765 -13.314 -2.953 1.00 24.45 H new ATOM 0 HG3 GLU A 13 6.988 -14.637 -1.825 1.00 24.45 H new ATOM 190 N VAL A 14 4.827 -11.295 -4.262 1.00 31.51 N ATOM 191 CA VAL A 14 5.260 -9.906 -4.173 1.00 22.12 C ATOM 192 C VAL A 14 4.166 -8.966 -4.666 1.00 0.22 C ATOM 193 O VAL A 14 3.725 -9.052 -5.813 1.00 60.32 O ATOM 194 CB VAL A 14 6.547 -9.655 -4.991 1.00 21.21 C ATOM 195 CG1 VAL A 14 7.000 -8.209 -4.852 1.00 74.33 C ATOM 196 CG2 VAL A 14 7.655 -10.602 -4.561 1.00 10.43 C ATOM 0 H VAL A 14 4.750 -11.654 -5.214 1.00 31.51 H new ATOM 0 HA VAL A 14 5.469 -9.706 -3.122 1.00 22.12 H new ATOM 0 HB VAL A 14 6.322 -9.846 -6.040 1.00 21.21 H new ATOM 0 HG11 VAL A 14 7.907 -8.054 -5.436 1.00 74.33 H new ATOM 0 HG12 VAL A 14 6.216 -7.545 -5.217 1.00 74.33 H new ATOM 0 HG13 VAL A 14 7.201 -7.990 -3.803 1.00 74.33 H new ATOM 0 HG21 VAL A 14 8.550 -10.406 -5.151 1.00 10.43 H new ATOM 0 HG22 VAL A 14 7.876 -10.448 -3.505 1.00 10.43 H new ATOM 0 HG23 VAL A 14 7.335 -11.632 -4.719 1.00 10.43 H new ATOM 206 N ALA A 15 3.732 -8.074 -3.791 1.00 42.32 N ATOM 207 CA ALA A 15 2.723 -7.085 -4.140 1.00 2.53 C ATOM 208 C ALA A 15 3.228 -5.686 -3.824 1.00 41.50 C ATOM 209 O ALA A 15 3.570 -5.387 -2.680 1.00 22.45 O ATOM 210 CB ALA A 15 1.426 -7.360 -3.394 1.00 61.44 C ATOM 0 H ALA A 15 4.064 -8.014 -2.828 1.00 42.32 H new ATOM 0 HA ALA A 15 2.526 -7.153 -5.210 1.00 2.53 H new ATOM 0 HB1 ALA A 15 0.683 -6.611 -3.667 1.00 61.44 H new ATOM 0 HB2 ALA A 15 1.057 -8.351 -3.659 1.00 61.44 H new ATOM 0 HB3 ALA A 15 1.608 -7.316 -2.320 1.00 61.44 H new ATOM 216 N ASP A 16 3.301 -4.837 -4.836 1.00 64.22 N ATOM 217 CA ASP A 16 3.757 -3.476 -4.644 1.00 30.32 C ATOM 218 C ASP A 16 2.584 -2.521 -4.557 1.00 73.44 C ATOM 219 O ASP A 16 1.567 -2.691 -5.234 1.00 65.11 O ATOM 220 CB ASP A 16 4.686 -3.047 -5.777 1.00 52.03 C ATOM 221 CG ASP A 16 3.994 -2.980 -7.124 1.00 23.14 C ATOM 222 OD1 ASP A 16 3.617 -4.042 -7.660 1.00 15.35 O ATOM 223 OD2 ASP A 16 3.823 -1.861 -7.652 1.00 35.35 O ATOM 0 H ASP A 16 3.050 -5.069 -5.797 1.00 64.22 H new ATOM 0 HA ASP A 16 4.309 -3.443 -3.705 1.00 30.32 H new ATOM 0 HB2 ASP A 16 5.106 -2.069 -5.543 1.00 52.03 H new ATOM 0 HB3 ASP A 16 5.520 -3.746 -5.839 1.00 52.03 H new ATOM 228 N VAL A 17 2.728 -1.529 -3.703 1.00 61.34 N ATOM 229 CA VAL A 17 1.714 -0.503 -3.538 1.00 22.31 C ATOM 230 C VAL A 17 2.343 0.868 -3.692 1.00 21.43 C ATOM 231 O VAL A 17 3.368 1.169 -3.084 1.00 44.44 O ATOM 232 CB VAL A 17 1.023 -0.576 -2.160 1.00 4.12 C ATOM 233 CG1 VAL A 17 -0.194 0.335 -2.118 1.00 31.02 C ATOM 234 CG2 VAL A 17 0.643 -2.006 -1.807 1.00 41.13 C ATOM 0 H VAL A 17 3.546 -1.409 -3.106 1.00 61.34 H new ATOM 0 HA VAL A 17 0.960 -0.673 -4.306 1.00 22.31 H new ATOM 0 HB VAL A 17 1.735 -0.229 -1.411 1.00 4.12 H new ATOM 0 HG11 VAL A 17 -0.665 0.268 -1.138 1.00 31.02 H new ATOM 0 HG12 VAL A 17 0.115 1.364 -2.302 1.00 31.02 H new ATOM 0 HG13 VAL A 17 -0.905 0.027 -2.884 1.00 31.02 H new ATOM 0 HG21 VAL A 17 0.158 -2.023 -0.831 1.00 41.13 H new ATOM 0 HG22 VAL A 17 -0.042 -2.397 -2.559 1.00 41.13 H new ATOM 0 HG23 VAL A 17 1.540 -2.624 -1.778 1.00 41.13 H new ATOM 244 N THR A 18 1.724 1.686 -4.511 1.00 41.34 N ATOM 245 CA THR A 18 2.200 3.030 -4.757 1.00 72.15 C ATOM 246 C THR A 18 1.203 4.037 -4.200 1.00 65.45 C ATOM 247 O THR A 18 0.057 4.103 -4.649 1.00 3.13 O ATOM 248 CB THR A 18 2.412 3.274 -6.263 1.00 23.03 C ATOM 249 OG1 THR A 18 3.308 2.285 -6.797 1.00 31.11 O ATOM 250 CG2 THR A 18 2.981 4.663 -6.518 1.00 21.41 C ATOM 0 H THR A 18 0.878 1.441 -5.025 1.00 41.34 H new ATOM 0 HA THR A 18 3.160 3.154 -4.256 1.00 72.15 H new ATOM 0 HB THR A 18 1.443 3.200 -6.757 1.00 23.03 H new ATOM 0 HG1 THR A 18 4.233 2.593 -6.697 1.00 31.11 H new ATOM 0 HG21 THR A 18 3.121 4.808 -7.589 1.00 21.41 H new ATOM 0 HG22 THR A 18 2.290 5.415 -6.137 1.00 21.41 H new ATOM 0 HG23 THR A 18 3.941 4.762 -6.010 1.00 21.41 H new ATOM 258 N ILE A 19 1.636 4.805 -3.215 1.00 71.13 N ATOM 259 CA ILE A 19 0.758 5.752 -2.550 1.00 72.31 C ATOM 260 C ILE A 19 0.962 7.142 -3.131 1.00 74.25 C ATOM 261 O ILE A 19 2.089 7.535 -3.440 1.00 34.44 O ATOM 262 CB ILE A 19 1.016 5.798 -1.030 1.00 54.21 C ATOM 263 CG1 ILE A 19 1.122 4.380 -0.462 1.00 71.34 C ATOM 264 CG2 ILE A 19 -0.090 6.575 -0.325 1.00 11.14 C ATOM 265 CD1 ILE A 19 1.531 4.336 0.994 1.00 73.54 C ATOM 0 H ILE A 19 2.591 4.791 -2.858 1.00 71.13 H new ATOM 0 HA ILE A 19 -0.267 5.421 -2.715 1.00 72.31 H new ATOM 0 HB ILE A 19 1.962 6.311 -0.855 1.00 54.21 H new ATOM 0 HG12 ILE A 19 0.160 3.880 -0.575 1.00 71.34 H new ATOM 0 HG13 ILE A 19 1.845 3.816 -1.050 1.00 71.34 H new ATOM 0 HG21 ILE A 19 0.108 6.598 0.747 1.00 11.14 H new ATOM 0 HG22 ILE A 19 -0.121 7.594 -0.710 1.00 11.14 H new ATOM 0 HG23 ILE A 19 -1.049 6.089 -0.507 1.00 11.14 H new ATOM 0 HD11 ILE A 19 1.585 3.299 1.326 1.00 73.54 H new ATOM 0 HD12 ILE A 19 2.507 4.806 1.112 1.00 73.54 H new ATOM 0 HD13 ILE A 19 0.796 4.871 1.595 1.00 73.54 H new ATOM 277 N PHE A 20 -0.131 7.869 -3.288 1.00 15.21 N ATOM 278 CA PHE A 20 -0.097 9.214 -3.835 1.00 12.15 C ATOM 279 C PHE A 20 -0.724 10.180 -2.843 1.00 72.31 C ATOM 280 O PHE A 20 -1.798 9.905 -2.299 1.00 43.21 O ATOM 281 CB PHE A 20 -0.874 9.284 -5.149 1.00 63.13 C ATOM 282 CG PHE A 20 -0.570 8.167 -6.109 1.00 53.22 C ATOM 283 CD1 PHE A 20 0.527 8.237 -6.951 1.00 71.34 C ATOM 284 CD2 PHE A 20 -1.388 7.050 -6.173 1.00 72.42 C ATOM 285 CE1 PHE A 20 0.801 7.215 -7.839 1.00 34.10 C ATOM 286 CE2 PHE A 20 -1.118 6.025 -7.059 1.00 74.42 C ATOM 287 CZ PHE A 20 -0.020 6.107 -7.893 1.00 31.32 C ATOM 0 H PHE A 20 -1.066 7.544 -3.040 1.00 15.21 H new ATOM 0 HA PHE A 20 0.943 9.483 -4.021 1.00 12.15 H new ATOM 0 HB2 PHE A 20 -1.941 9.276 -4.927 1.00 63.13 H new ATOM 0 HB3 PHE A 20 -0.657 10.235 -5.636 1.00 63.13 H new ATOM 0 HD1 PHE A 20 1.175 9.100 -6.913 1.00 71.34 H new ATOM 0 HD2 PHE A 20 -2.247 6.980 -5.522 1.00 72.42 H new ATOM 0 HE1 PHE A 20 1.659 7.283 -8.492 1.00 34.10 H new ATOM 0 HE2 PHE A 20 -1.765 5.161 -7.099 1.00 74.42 H new ATOM 0 HZ PHE A 20 0.195 5.306 -8.585 1.00 31.32 H new ATOM 297 N ALA A 21 -0.066 11.301 -2.608 1.00 31.32 N ATOM 298 CA ALA A 21 -0.578 12.305 -1.685 1.00 71.32 C ATOM 299 C ALA A 21 0.058 13.662 -1.947 1.00 72.12 C ATOM 300 O ALA A 21 0.854 13.814 -2.869 1.00 20.04 O ATOM 301 CB ALA A 21 -0.351 11.880 -0.242 1.00 52.51 C ATOM 0 H ALA A 21 0.825 11.542 -3.043 1.00 31.32 H new ATOM 0 HA ALA A 21 -1.651 12.395 -1.852 1.00 71.32 H new ATOM 0 HB1 ALA A 21 -0.742 12.646 0.428 1.00 52.51 H new ATOM 0 HB2 ALA A 21 -0.865 10.937 -0.055 1.00 52.51 H new ATOM 0 HB3 ALA A 21 0.717 11.752 -0.064 1.00 52.51 H new ATOM 307 N GLU A 22 -0.287 14.640 -1.120 1.00 53.15 N ATOM 308 CA GLU A 22 0.163 16.011 -1.322 1.00 64.55 C ATOM 309 C GLU A 22 1.484 16.266 -0.597 1.00 44.14 C ATOM 310 O GLU A 22 2.256 17.148 -0.978 1.00 10.02 O ATOM 311 CB GLU A 22 -0.900 16.980 -0.801 1.00 20.42 C ATOM 312 CG GLU A 22 -2.323 16.600 -1.187 1.00 41.13 C ATOM 313 CD GLU A 22 -2.550 16.564 -2.684 1.00 61.53 C ATOM 314 OE1 GLU A 22 -2.734 17.640 -3.285 1.00 35.43 O ATOM 315 OE2 GLU A 22 -2.575 15.457 -3.261 1.00 41.24 O ATOM 0 H GLU A 22 -0.879 14.509 -0.300 1.00 53.15 H new ATOM 0 HA GLU A 22 0.319 16.168 -2.389 1.00 64.55 H new ATOM 0 HB2 GLU A 22 -0.830 17.031 0.286 1.00 20.42 H new ATOM 0 HB3 GLU A 22 -0.685 17.979 -1.181 1.00 20.42 H new ATOM 0 HG2 GLU A 22 -2.556 15.621 -0.768 1.00 41.13 H new ATOM 0 HG3 GLU A 22 -3.016 17.312 -0.739 1.00 41.13 H new ATOM 322 N THR A 23 1.731 15.495 0.455 1.00 3.21 N ATOM 323 CA THR A 23 2.923 15.671 1.269 1.00 24.14 C ATOM 324 C THR A 23 3.642 14.344 1.483 1.00 32.35 C ATOM 325 O THR A 23 3.023 13.278 1.445 1.00 32.10 O ATOM 326 CB THR A 23 2.569 16.273 2.646 1.00 72.33 C ATOM 327 OG1 THR A 23 1.580 15.460 3.294 1.00 41.21 O ATOM 328 CG2 THR A 23 2.047 17.696 2.504 1.00 42.04 C ATOM 0 H THR A 23 1.118 14.740 0.764 1.00 3.21 H new ATOM 0 HA THR A 23 3.580 16.355 0.732 1.00 24.14 H new ATOM 0 HB THR A 23 3.477 16.298 3.249 1.00 72.33 H new ATOM 0 HG1 THR A 23 1.361 15.846 4.168 1.00 41.21 H new ATOM 0 HG21 THR A 23 1.806 18.095 3.489 1.00 42.04 H new ATOM 0 HG22 THR A 23 2.810 18.319 2.037 1.00 42.04 H new ATOM 0 HG23 THR A 23 1.151 17.695 1.884 1.00 42.04 H new ATOM 336 N LYS A 24 4.946 14.414 1.724 1.00 24.11 N ATOM 337 CA LYS A 24 5.739 13.228 2.016 1.00 40.30 C ATOM 338 C LYS A 24 5.280 12.624 3.333 1.00 25.24 C ATOM 339 O LYS A 24 5.253 11.407 3.502 1.00 13.11 O ATOM 340 CB LYS A 24 7.222 13.585 2.112 1.00 13.43 C ATOM 341 CG LYS A 24 8.138 12.377 2.246 1.00 53.44 C ATOM 342 CD LYS A 24 9.524 12.783 2.717 1.00 61.10 C ATOM 343 CE LYS A 24 9.480 13.391 4.110 1.00 73.42 C ATOM 344 NZ LYS A 24 10.818 13.845 4.558 1.00 54.23 N ATOM 0 H LYS A 24 5.478 15.284 1.723 1.00 24.11 H new ATOM 0 HA LYS A 24 5.602 12.508 1.209 1.00 40.30 H new ATOM 0 HB2 LYS A 24 7.508 14.149 1.225 1.00 13.43 H new ATOM 0 HB3 LYS A 24 7.373 14.241 2.969 1.00 13.43 H new ATOM 0 HG2 LYS A 24 7.706 11.667 2.951 1.00 53.44 H new ATOM 0 HG3 LYS A 24 8.213 11.867 1.286 1.00 53.44 H new ATOM 0 HD2 LYS A 24 10.179 11.912 2.719 1.00 61.10 H new ATOM 0 HD3 LYS A 24 9.952 13.502 2.018 1.00 61.10 H new ATOM 0 HE2 LYS A 24 8.790 14.235 4.116 1.00 73.42 H new ATOM 0 HE3 LYS A 24 9.091 12.656 4.815 1.00 73.42 H new ATOM 0 HZ1 LYS A 24 10.745 14.253 5.512 1.00 54.23 H new ATOM 0 HZ2 LYS A 24 11.471 13.036 4.577 1.00 54.23 H new ATOM 0 HZ3 LYS A 24 11.178 14.565 3.900 1.00 54.23 H new ATOM 358 N ASP A 25 4.919 13.498 4.263 1.00 21.50 N ATOM 359 CA ASP A 25 4.384 13.080 5.552 1.00 20.03 C ATOM 360 C ASP A 25 3.160 12.196 5.364 1.00 53.10 C ATOM 361 O ASP A 25 3.025 11.167 6.022 1.00 0.22 O ATOM 362 CB ASP A 25 4.007 14.297 6.394 1.00 62.13 C ATOM 363 CG ASP A 25 3.343 13.916 7.703 1.00 43.31 C ATOM 364 OD1 ASP A 25 4.057 13.542 8.654 1.00 63.33 O ATOM 365 OD2 ASP A 25 2.100 13.988 7.789 1.00 62.53 O ATOM 0 H ASP A 25 4.988 14.509 4.147 1.00 21.50 H new ATOM 0 HA ASP A 25 5.157 12.512 6.069 1.00 20.03 H new ATOM 0 HB2 ASP A 25 4.903 14.882 6.602 1.00 62.13 H new ATOM 0 HB3 ASP A 25 3.334 14.936 5.822 1.00 62.13 H new ATOM 370 N ALA A 26 2.270 12.604 4.468 1.00 64.02 N ATOM 371 CA ALA A 26 1.083 11.813 4.158 1.00 23.53 C ATOM 372 C ALA A 26 1.476 10.456 3.586 1.00 40.42 C ATOM 373 O ALA A 26 0.871 9.436 3.917 1.00 33.55 O ATOM 374 CB ALA A 26 0.176 12.563 3.194 1.00 55.21 C ATOM 0 H ALA A 26 2.346 13.476 3.944 1.00 64.02 H new ATOM 0 HA ALA A 26 0.532 11.645 5.083 1.00 23.53 H new ATOM 0 HB1 ALA A 26 -0.703 11.957 2.975 1.00 55.21 H new ATOM 0 HB2 ALA A 26 -0.136 13.505 3.646 1.00 55.21 H new ATOM 0 HB3 ALA A 26 0.716 12.766 2.269 1.00 55.21 H new ATOM 380 N LEU A 27 2.503 10.453 2.739 1.00 13.40 N ATOM 381 CA LEU A 27 3.059 9.215 2.202 1.00 54.32 C ATOM 382 C LEU A 27 3.513 8.302 3.334 1.00 35.34 C ATOM 383 O LEU A 27 3.112 7.142 3.410 1.00 13.10 O ATOM 384 CB LEU A 27 4.249 9.516 1.283 1.00 51.25 C ATOM 385 CG LEU A 27 3.933 9.692 -0.203 1.00 51.41 C ATOM 386 CD1 LEU A 27 2.968 10.837 -0.430 1.00 34.43 C ATOM 387 CD2 LEU A 27 5.216 9.925 -0.980 1.00 3.51 C ATOM 0 H LEU A 27 2.968 11.299 2.409 1.00 13.40 H new ATOM 0 HA LEU A 27 2.280 8.715 1.627 1.00 54.32 H new ATOM 0 HB2 LEU A 27 4.734 10.425 1.639 1.00 51.25 H new ATOM 0 HB3 LEU A 27 4.973 8.707 1.385 1.00 51.25 H new ATOM 0 HG LEU A 27 3.456 8.779 -0.559 1.00 51.41 H new ATOM 0 HD11 LEU A 27 2.764 10.935 -1.496 1.00 34.43 H new ATOM 0 HD12 LEU A 27 2.037 10.639 0.101 1.00 34.43 H new ATOM 0 HD13 LEU A 27 3.407 11.762 -0.058 1.00 34.43 H new ATOM 0 HD21 LEU A 27 4.983 10.049 -2.038 1.00 3.51 H new ATOM 0 HD22 LEU A 27 5.708 10.824 -0.608 1.00 3.51 H new ATOM 0 HD23 LEU A 27 5.879 9.069 -0.853 1.00 3.51 H new ATOM 399 N GLU A 28 4.342 8.849 4.217 1.00 23.51 N ATOM 400 CA GLU A 28 4.887 8.107 5.340 1.00 1.54 C ATOM 401 C GLU A 28 3.779 7.612 6.273 1.00 30.40 C ATOM 402 O GLU A 28 3.835 6.488 6.777 1.00 53.43 O ATOM 403 CB GLU A 28 5.868 8.997 6.106 1.00 34.32 C ATOM 404 CG GLU A 28 7.098 9.383 5.301 1.00 15.32 C ATOM 405 CD GLU A 28 8.087 10.207 6.101 1.00 72.24 C ATOM 406 OE1 GLU A 28 7.929 11.441 6.162 1.00 74.21 O ATOM 407 OE2 GLU A 28 9.033 9.622 6.673 1.00 35.43 O ATOM 0 H GLU A 28 4.653 9.819 4.171 1.00 23.51 H new ATOM 0 HA GLU A 28 5.409 7.230 4.956 1.00 1.54 H new ATOM 0 HB2 GLU A 28 5.352 9.904 6.422 1.00 34.32 H new ATOM 0 HB3 GLU A 28 6.185 8.479 7.011 1.00 34.32 H new ATOM 0 HG2 GLU A 28 7.591 8.479 4.943 1.00 15.32 H new ATOM 0 HG3 GLU A 28 6.789 9.948 4.421 1.00 15.32 H new ATOM 414 N SER A 29 2.769 8.447 6.485 1.00 12.52 N ATOM 415 CA SER A 29 1.665 8.108 7.368 1.00 24.01 C ATOM 416 C SER A 29 0.834 6.961 6.794 1.00 54.21 C ATOM 417 O SER A 29 0.591 5.966 7.476 1.00 71.45 O ATOM 418 CB SER A 29 0.792 9.338 7.604 1.00 34.33 C ATOM 419 OG SER A 29 1.570 10.421 8.086 1.00 32.43 O ATOM 0 H SER A 29 2.694 9.368 6.054 1.00 12.52 H new ATOM 0 HA SER A 29 2.075 7.776 8.322 1.00 24.01 H new ATOM 0 HB2 SER A 29 0.299 9.623 6.675 1.00 34.33 H new ATOM 0 HB3 SER A 29 0.007 9.100 8.322 1.00 34.33 H new ATOM 0 HG SER A 29 2.037 10.847 7.337 1.00 32.43 H new ATOM 425 N GLU A 30 0.421 7.098 5.535 1.00 53.03 N ATOM 426 CA GLU A 30 -0.342 6.073 4.857 1.00 74.13 C ATOM 427 C GLU A 30 0.451 4.777 4.773 1.00 43.12 C ATOM 428 O GLU A 30 -0.090 3.689 4.971 1.00 73.02 O ATOM 429 CB GLU A 30 -0.701 6.561 3.459 1.00 1.44 C ATOM 430 CG GLU A 30 -1.888 7.506 3.420 1.00 1.31 C ATOM 431 CD GLU A 30 -3.160 6.869 3.938 1.00 73.41 C ATOM 432 OE1 GLU A 30 -3.773 6.067 3.203 1.00 43.40 O ATOM 433 OE2 GLU A 30 -3.563 7.178 5.078 1.00 43.24 O ATOM 0 H GLU A 30 0.609 7.923 4.965 1.00 53.03 H new ATOM 0 HA GLU A 30 -1.253 5.874 5.422 1.00 74.13 H new ATOM 0 HB2 GLU A 30 0.165 7.064 3.028 1.00 1.44 H new ATOM 0 HB3 GLU A 30 -0.916 5.698 2.828 1.00 1.44 H new ATOM 0 HG2 GLU A 30 -1.662 8.391 4.014 1.00 1.31 H new ATOM 0 HG3 GLU A 30 -2.046 7.842 2.395 1.00 1.31 H new ATOM 440 N LEU A 31 1.740 4.910 4.490 1.00 33.40 N ATOM 441 CA LEU A 31 2.639 3.769 4.406 1.00 1.33 C ATOM 442 C LEU A 31 2.592 2.961 5.692 1.00 40.00 C ATOM 443 O LEU A 31 2.434 1.745 5.667 1.00 2.30 O ATOM 444 CB LEU A 31 4.068 4.248 4.161 1.00 72.11 C ATOM 445 CG LEU A 31 5.057 3.155 3.763 1.00 14.40 C ATOM 446 CD1 LEU A 31 4.703 2.594 2.397 1.00 23.11 C ATOM 447 CD2 LEU A 31 6.480 3.693 3.771 1.00 3.41 C ATOM 0 H LEU A 31 2.189 5.808 4.313 1.00 33.40 H new ATOM 0 HA LEU A 31 2.319 3.138 3.577 1.00 1.33 H new ATOM 0 HB2 LEU A 31 4.052 5.005 3.377 1.00 72.11 H new ATOM 0 HB3 LEU A 31 4.432 4.734 5.066 1.00 72.11 H new ATOM 0 HG LEU A 31 4.994 2.348 4.493 1.00 14.40 H new ATOM 0 HD11 LEU A 31 5.417 1.816 2.127 1.00 23.11 H new ATOM 0 HD12 LEU A 31 3.699 2.171 2.427 1.00 23.11 H new ATOM 0 HD13 LEU A 31 4.739 3.392 1.656 1.00 23.11 H new ATOM 0 HD21 LEU A 31 7.171 2.900 3.485 1.00 3.41 H new ATOM 0 HD22 LEU A 31 6.561 4.518 3.063 1.00 3.41 H new ATOM 0 HD23 LEU A 31 6.729 4.048 4.771 1.00 3.41 H new ATOM 459 N ALA A 32 2.717 3.658 6.811 1.00 63.24 N ATOM 460 CA ALA A 32 2.696 3.026 8.129 1.00 34.33 C ATOM 461 C ALA A 32 1.401 2.244 8.364 1.00 25.35 C ATOM 462 O ALA A 32 1.395 1.238 9.078 1.00 31.13 O ATOM 463 CB ALA A 32 2.883 4.073 9.215 1.00 65.34 C ATOM 0 H ALA A 32 2.835 4.671 6.836 1.00 63.24 H new ATOM 0 HA ALA A 32 3.521 2.315 8.168 1.00 34.33 H new ATOM 0 HB1 ALA A 32 2.866 3.591 10.192 1.00 65.34 H new ATOM 0 HB2 ALA A 32 3.840 4.575 9.075 1.00 65.34 H new ATOM 0 HB3 ALA A 32 2.077 4.805 9.157 1.00 65.34 H new ATOM 469 N LYS A 33 0.308 2.707 7.767 1.00 52.13 N ATOM 470 CA LYS A 33 -0.977 2.034 7.892 1.00 11.34 C ATOM 471 C LYS A 33 -0.952 0.717 7.128 1.00 1.00 C ATOM 472 O LYS A 33 -1.476 -0.298 7.591 1.00 35.25 O ATOM 473 CB LYS A 33 -2.097 2.922 7.339 1.00 71.02 C ATOM 474 CG LYS A 33 -2.006 4.390 7.740 1.00 63.14 C ATOM 475 CD LYS A 33 -2.165 4.604 9.237 1.00 62.42 C ATOM 476 CE LYS A 33 -2.035 6.079 9.590 1.00 2.12 C ATOM 477 NZ LYS A 33 -2.232 6.329 11.042 1.00 44.30 N ATOM 0 H LYS A 33 0.288 3.548 7.190 1.00 52.13 H new ATOM 0 HA LYS A 33 -1.164 1.837 8.948 1.00 11.34 H new ATOM 0 HB2 LYS A 33 -2.090 2.856 6.251 1.00 71.02 H new ATOM 0 HB3 LYS A 33 -3.055 2.526 7.676 1.00 71.02 H new ATOM 0 HG2 LYS A 33 -1.044 4.790 7.421 1.00 63.14 H new ATOM 0 HG3 LYS A 33 -2.776 4.954 7.213 1.00 63.14 H new ATOM 0 HD2 LYS A 33 -3.137 4.233 9.561 1.00 62.42 H new ATOM 0 HD3 LYS A 33 -1.410 4.029 9.773 1.00 62.42 H new ATOM 0 HE2 LYS A 33 -1.049 6.436 9.292 1.00 2.12 H new ATOM 0 HE3 LYS A 33 -2.767 6.653 9.022 1.00 2.12 H new ATOM 0 HZ1 LYS A 33 -2.134 7.346 11.235 1.00 44.30 H new ATOM 0 HZ2 LYS A 33 -3.182 6.013 11.323 1.00 44.30 H new ATOM 0 HZ3 LYS A 33 -1.517 5.803 11.585 1.00 44.30 H new ATOM 491 N TYR A 34 -0.331 0.743 5.960 1.00 64.53 N ATOM 492 CA TYR A 34 -0.211 -0.447 5.133 1.00 34.15 C ATOM 493 C TYR A 34 0.836 -1.395 5.707 1.00 20.44 C ATOM 494 O TYR A 34 0.712 -2.614 5.591 1.00 42.34 O ATOM 495 CB TYR A 34 0.133 -0.066 3.690 1.00 53.35 C ATOM 496 CG TYR A 34 -0.993 0.660 2.986 1.00 53.30 C ATOM 497 CD1 TYR A 34 -2.199 0.020 2.734 1.00 61.01 C ATOM 498 CD2 TYR A 34 -0.859 1.985 2.595 1.00 51.43 C ATOM 499 CE1 TYR A 34 -3.239 0.679 2.107 1.00 32.13 C ATOM 500 CE2 TYR A 34 -1.896 2.652 1.971 1.00 41.41 C ATOM 501 CZ TYR A 34 -3.082 1.995 1.730 1.00 74.32 C ATOM 502 OH TYR A 34 -4.119 2.657 1.113 1.00 44.43 O ATOM 0 H TYR A 34 0.099 1.578 5.562 1.00 64.53 H new ATOM 0 HA TYR A 34 -1.171 -0.963 5.129 1.00 34.15 H new ATOM 0 HB2 TYR A 34 1.022 0.565 3.689 1.00 53.35 H new ATOM 0 HB3 TYR A 34 0.382 -0.968 3.131 1.00 53.35 H new ATOM 0 HD1 TYR A 34 -2.326 -1.010 3.033 1.00 61.01 H new ATOM 0 HD2 TYR A 34 0.070 2.503 2.781 1.00 51.43 H new ATOM 0 HE1 TYR A 34 -4.169 0.166 1.914 1.00 32.13 H new ATOM 0 HE2 TYR A 34 -1.777 3.683 1.674 1.00 41.41 H new ATOM 0 HH TYR A 34 -3.847 3.577 0.913 1.00 44.43 H new ATOM 512 N ILE A 35 1.863 -0.828 6.332 1.00 31.14 N ATOM 513 CA ILE A 35 2.872 -1.623 7.022 1.00 32.43 C ATOM 514 C ILE A 35 2.232 -2.398 8.170 1.00 14.13 C ATOM 515 O ILE A 35 2.564 -3.562 8.409 1.00 31.15 O ATOM 516 CB ILE A 35 4.028 -0.747 7.566 1.00 45.10 C ATOM 517 CG1 ILE A 35 4.794 -0.101 6.409 1.00 54.52 C ATOM 518 CG2 ILE A 35 4.974 -1.573 8.435 1.00 73.22 C ATOM 519 CD1 ILE A 35 5.901 0.831 6.860 1.00 62.42 C ATOM 0 H ILE A 35 2.018 0.179 6.375 1.00 31.14 H new ATOM 0 HA ILE A 35 3.293 -2.318 6.295 1.00 32.43 H new ATOM 0 HB ILE A 35 3.598 0.040 8.185 1.00 45.10 H new ATOM 0 HG12 ILE A 35 5.222 -0.885 5.785 1.00 54.52 H new ATOM 0 HG13 ILE A 35 4.093 0.455 5.786 1.00 54.52 H new ATOM 0 HG21 ILE A 35 5.777 -0.936 8.805 1.00 73.22 H new ATOM 0 HG22 ILE A 35 4.423 -1.989 9.278 1.00 73.22 H new ATOM 0 HG23 ILE A 35 5.398 -2.384 7.842 1.00 73.22 H new ATOM 0 HD11 ILE A 35 6.400 1.252 5.987 1.00 62.42 H new ATOM 0 HD12 ILE A 35 5.477 1.637 7.459 1.00 62.42 H new ATOM 0 HD13 ILE A 35 6.623 0.275 7.458 1.00 62.42 H new ATOM 531 N GLU A 36 1.297 -1.753 8.868 1.00 34.01 N ATOM 532 CA GLU A 36 0.566 -2.399 9.924 1.00 3.22 C ATOM 533 C GLU A 36 -0.221 -3.573 9.372 1.00 75.41 C ATOM 534 O GLU A 36 -0.203 -4.666 9.939 1.00 54.02 O ATOM 535 CB GLU A 36 -0.374 -1.406 10.600 1.00 41.23 C ATOM 536 CG GLU A 36 -1.102 -2.021 11.763 1.00 3.41 C ATOM 537 CD GLU A 36 -2.067 -1.075 12.438 1.00 40.02 C ATOM 538 OE1 GLU A 36 -3.219 -0.963 11.974 1.00 3.44 O ATOM 539 OE2 GLU A 36 -1.688 -0.461 13.455 1.00 20.34 O ATOM 0 H GLU A 36 1.037 -0.779 8.709 1.00 34.01 H new ATOM 0 HA GLU A 36 1.275 -2.769 10.665 1.00 3.22 H new ATOM 0 HB2 GLU A 36 0.197 -0.544 10.945 1.00 41.23 H new ATOM 0 HB3 GLU A 36 -1.098 -1.039 9.872 1.00 41.23 H new ATOM 0 HG2 GLU A 36 -1.648 -2.898 11.417 1.00 3.41 H new ATOM 0 HG3 GLU A 36 -0.373 -2.368 12.496 1.00 3.41 H new ATOM 546 N LEU A 37 -0.903 -3.343 8.256 1.00 13.22 N ATOM 547 CA LEU A 37 -1.615 -4.414 7.565 1.00 70.33 C ATOM 548 C LEU A 37 -0.676 -5.567 7.244 1.00 14.42 C ATOM 549 O LEU A 37 -1.018 -6.731 7.441 1.00 0.31 O ATOM 550 CB LEU A 37 -2.240 -3.909 6.264 1.00 71.40 C ATOM 551 CG LEU A 37 -3.416 -2.953 6.416 1.00 35.32 C ATOM 552 CD1 LEU A 37 -3.942 -2.565 5.047 1.00 33.33 C ATOM 553 CD2 LEU A 37 -4.518 -3.585 7.251 1.00 63.55 C ATOM 0 H LEU A 37 -0.979 -2.428 7.811 1.00 13.22 H new ATOM 0 HA LEU A 37 -2.404 -4.761 8.232 1.00 70.33 H new ATOM 0 HB2 LEU A 37 -1.465 -3.411 5.681 1.00 71.40 H new ATOM 0 HB3 LEU A 37 -2.570 -4.771 5.684 1.00 71.40 H new ATOM 0 HG LEU A 37 -3.075 -2.056 6.932 1.00 35.32 H new ATOM 0 HD11 LEU A 37 -4.783 -1.881 5.161 1.00 33.33 H new ATOM 0 HD12 LEU A 37 -3.151 -2.076 4.479 1.00 33.33 H new ATOM 0 HD13 LEU A 37 -4.270 -3.459 4.517 1.00 33.33 H new ATOM 0 HD21 LEU A 37 -5.348 -2.885 7.347 1.00 63.55 H new ATOM 0 HD22 LEU A 37 -4.866 -4.496 6.765 1.00 63.55 H new ATOM 0 HD23 LEU A 37 -4.131 -3.827 8.241 1.00 63.55 H new ATOM 565 N ALA A 38 0.519 -5.232 6.777 1.00 40.55 N ATOM 566 CA ALA A 38 1.475 -6.237 6.338 1.00 4.14 C ATOM 567 C ALA A 38 1.879 -7.137 7.496 1.00 21.53 C ATOM 568 O ALA A 38 1.833 -8.362 7.387 1.00 2.14 O ATOM 569 CB ALA A 38 2.700 -5.576 5.722 1.00 51.31 C ATOM 0 H ALA A 38 0.849 -4.271 6.693 1.00 40.55 H new ATOM 0 HA ALA A 38 0.997 -6.854 5.577 1.00 4.14 H new ATOM 0 HB1 ALA A 38 3.404 -6.343 5.400 1.00 51.31 H new ATOM 0 HB2 ALA A 38 2.397 -4.977 4.863 1.00 51.31 H new ATOM 0 HB3 ALA A 38 3.177 -4.933 6.462 1.00 51.31 H new ATOM 575 N LYS A 39 2.243 -6.522 8.612 1.00 54.41 N ATOM 576 CA LYS A 39 2.669 -7.264 9.788 1.00 24.53 C ATOM 577 C LYS A 39 1.493 -7.966 10.457 1.00 72.23 C ATOM 578 O LYS A 39 1.674 -8.953 11.167 1.00 61.22 O ATOM 579 CB LYS A 39 3.360 -6.330 10.780 1.00 31.30 C ATOM 580 CG LYS A 39 4.728 -5.861 10.320 1.00 75.23 C ATOM 581 CD LYS A 39 5.379 -4.956 11.352 1.00 71.11 C ATOM 582 CE LYS A 39 6.789 -4.562 10.942 1.00 2.34 C ATOM 583 NZ LYS A 39 7.715 -5.727 10.930 1.00 0.20 N ATOM 0 H LYS A 39 2.252 -5.509 8.727 1.00 54.41 H new ATOM 0 HA LYS A 39 3.376 -8.028 9.465 1.00 24.53 H new ATOM 0 HB2 LYS A 39 2.725 -5.460 10.950 1.00 31.30 H new ATOM 0 HB3 LYS A 39 3.463 -6.842 11.737 1.00 31.30 H new ATOM 0 HG2 LYS A 39 5.367 -6.724 10.136 1.00 75.23 H new ATOM 0 HG3 LYS A 39 4.633 -5.327 9.374 1.00 75.23 H new ATOM 0 HD2 LYS A 39 4.774 -4.059 11.483 1.00 71.11 H new ATOM 0 HD3 LYS A 39 5.409 -5.465 12.316 1.00 71.11 H new ATOM 0 HE2 LYS A 39 6.765 -4.109 9.951 1.00 2.34 H new ATOM 0 HE3 LYS A 39 7.168 -3.805 11.629 1.00 2.34 H new ATOM 0 HZ1 LYS A 39 8.697 -5.390 10.864 1.00 0.20 H new ATOM 0 HZ2 LYS A 39 7.596 -6.274 11.806 1.00 0.20 H new ATOM 0 HZ3 LYS A 39 7.501 -6.332 10.112 1.00 0.20 H new ATOM 597 N SER A 40 0.290 -7.458 10.229 1.00 73.54 N ATOM 598 CA SER A 40 -0.905 -8.054 10.804 1.00 43.21 C ATOM 599 C SER A 40 -1.286 -9.328 10.049 1.00 50.12 C ATOM 600 O SER A 40 -1.866 -10.251 10.622 1.00 2.04 O ATOM 601 CB SER A 40 -2.067 -7.052 10.780 1.00 52.30 C ATOM 602 OG SER A 40 -3.184 -7.535 11.509 1.00 34.23 O ATOM 0 H SER A 40 0.117 -6.636 9.651 1.00 73.54 H new ATOM 0 HA SER A 40 -0.694 -8.317 11.840 1.00 43.21 H new ATOM 0 HB2 SER A 40 -1.739 -6.102 11.202 1.00 52.30 H new ATOM 0 HB3 SER A 40 -2.361 -6.858 9.748 1.00 52.30 H new ATOM 0 HG SER A 40 -3.907 -6.874 11.476 1.00 34.23 H new ATOM 608 N VAL A 41 -0.945 -9.382 8.768 1.00 20.41 N ATOM 609 CA VAL A 41 -1.277 -10.534 7.941 1.00 12.31 C ATOM 610 C VAL A 41 -0.157 -11.573 7.954 1.00 3.05 C ATOM 611 O VAL A 41 -0.417 -12.778 7.986 1.00 0.32 O ATOM 612 CB VAL A 41 -1.568 -10.112 6.482 1.00 52.14 C ATOM 613 CG1 VAL A 41 -1.843 -11.325 5.603 1.00 24.14 C ATOM 614 CG2 VAL A 41 -2.743 -9.146 6.427 1.00 65.55 C ATOM 0 H VAL A 41 -0.439 -8.643 8.280 1.00 20.41 H new ATOM 0 HA VAL A 41 -2.175 -10.980 8.368 1.00 12.31 H new ATOM 0 HB VAL A 41 -0.681 -9.608 6.099 1.00 52.14 H new ATOM 0 HG11 VAL A 41 -2.044 -10.997 4.583 1.00 24.14 H new ATOM 0 HG12 VAL A 41 -0.974 -11.983 5.608 1.00 24.14 H new ATOM 0 HG13 VAL A 41 -2.708 -11.865 5.988 1.00 24.14 H new ATOM 0 HG21 VAL A 41 -2.932 -8.861 5.392 1.00 65.55 H new ATOM 0 HG22 VAL A 41 -3.630 -9.628 6.838 1.00 65.55 H new ATOM 0 HG23 VAL A 41 -2.510 -8.256 7.012 1.00 65.55 H new ATOM 624 N CYS A 42 1.087 -11.113 7.950 1.00 63.55 N ATOM 625 CA CYS A 42 2.219 -12.002 7.827 1.00 21.32 C ATOM 626 C CYS A 42 3.403 -11.500 8.634 1.00 65.53 C ATOM 627 O CYS A 42 3.607 -10.296 8.784 1.00 34.10 O ATOM 628 CB CYS A 42 2.598 -12.125 6.359 1.00 54.15 C ATOM 629 SG CYS A 42 2.522 -10.559 5.465 1.00 13.42 S ATOM 0 H CYS A 42 1.331 -10.126 8.031 1.00 63.55 H new ATOM 0 HA CYS A 42 1.942 -12.980 8.221 1.00 21.32 H new ATOM 0 HB2 CYS A 42 3.608 -12.528 6.285 1.00 54.15 H new ATOM 0 HB3 CYS A 42 1.932 -12.842 5.878 1.00 54.15 H new ATOM 0 HG CYS A 42 2.519 -9.574 6.314 1.00 13.42 H new ATOM 635 N ALA A 43 4.159 -12.434 9.173 1.00 13.53 N ATOM 636 CA ALA A 43 5.367 -12.115 9.917 1.00 61.45 C ATOM 637 C ALA A 43 6.588 -12.139 9.002 1.00 15.32 C ATOM 638 O ALA A 43 7.531 -11.369 9.188 1.00 71.23 O ATOM 639 CB ALA A 43 5.548 -13.086 11.076 1.00 73.02 C ATOM 0 H ALA A 43 3.958 -13.432 9.110 1.00 13.53 H new ATOM 0 HA ALA A 43 5.265 -11.108 10.321 1.00 61.45 H new ATOM 0 HB1 ALA A 43 6.456 -12.834 11.623 1.00 73.02 H new ATOM 0 HB2 ALA A 43 4.690 -13.018 11.745 1.00 73.02 H new ATOM 0 HB3 ALA A 43 5.627 -14.102 10.690 1.00 73.02 H new ATOM 645 N GLY A 44 6.548 -13.008 7.997 1.00 70.11 N ATOM 646 CA GLY A 44 7.671 -13.156 7.088 1.00 3.14 C ATOM 647 C GLY A 44 7.607 -12.202 5.915 1.00 65.30 C ATOM 648 O GLY A 44 8.112 -12.504 4.834 1.00 25.34 O ATOM 0 H GLY A 44 5.754 -13.615 7.795 1.00 70.11 H new ATOM 0 HA2 GLY A 44 8.599 -12.990 7.635 1.00 3.14 H new ATOM 0 HA3 GLY A 44 7.699 -14.180 6.716 1.00 3.14 H new ATOM 652 N VAL A 45 6.991 -11.050 6.127 1.00 54.33 N ATOM 653 CA VAL A 45 6.865 -10.049 5.081 1.00 21.43 C ATOM 654 C VAL A 45 8.029 -9.062 5.127 1.00 21.42 C ATOM 655 O VAL A 45 8.396 -8.564 6.192 1.00 33.15 O ATOM 656 CB VAL A 45 5.522 -9.285 5.193 1.00 22.11 C ATOM 657 CG1 VAL A 45 5.423 -8.525 6.509 1.00 31.22 C ATOM 658 CG2 VAL A 45 5.331 -8.343 4.013 1.00 10.41 C ATOM 0 H VAL A 45 6.569 -10.785 7.017 1.00 54.33 H new ATOM 0 HA VAL A 45 6.886 -10.573 4.125 1.00 21.43 H new ATOM 0 HB VAL A 45 4.721 -10.024 5.173 1.00 22.11 H new ATOM 0 HG11 VAL A 45 4.469 -8.000 6.555 1.00 31.22 H new ATOM 0 HG12 VAL A 45 5.492 -9.227 7.340 1.00 31.22 H new ATOM 0 HG13 VAL A 45 6.237 -7.804 6.575 1.00 31.22 H new ATOM 0 HG21 VAL A 45 4.381 -7.819 4.116 1.00 10.41 H new ATOM 0 HG22 VAL A 45 6.145 -7.618 3.991 1.00 10.41 H new ATOM 0 HG23 VAL A 45 5.331 -8.916 3.086 1.00 10.41 H new ATOM 668 N GLU A 46 8.619 -8.809 3.969 1.00 10.41 N ATOM 669 CA GLU A 46 9.654 -7.797 3.838 1.00 43.33 C ATOM 670 C GLU A 46 9.176 -6.740 2.860 1.00 43.11 C ATOM 671 O GLU A 46 8.448 -7.050 1.914 1.00 12.13 O ATOM 672 CB GLU A 46 10.965 -8.420 3.353 1.00 24.32 C ATOM 673 CG GLU A 46 12.184 -8.002 4.164 1.00 52.41 C ATOM 674 CD GLU A 46 12.539 -6.534 4.016 1.00 21.22 C ATOM 675 OE1 GLU A 46 11.916 -5.691 4.701 1.00 23.42 O ATOM 676 OE2 GLU A 46 13.449 -6.216 3.222 1.00 30.02 O ATOM 0 H GLU A 46 8.396 -9.295 3.101 1.00 10.41 H new ATOM 0 HA GLU A 46 9.844 -7.343 4.811 1.00 43.33 H new ATOM 0 HB2 GLU A 46 10.874 -9.506 3.386 1.00 24.32 H new ATOM 0 HB3 GLU A 46 11.123 -8.145 2.310 1.00 24.32 H new ATOM 0 HG2 GLU A 46 12.001 -8.218 5.217 1.00 52.41 H new ATOM 0 HG3 GLU A 46 13.038 -8.606 3.858 1.00 52.41 H new ATOM 683 N TYR A 47 9.573 -5.503 3.072 1.00 42.32 N ATOM 684 CA TYR A 47 9.067 -4.415 2.256 1.00 71.43 C ATOM 685 C TYR A 47 10.157 -3.440 1.851 1.00 12.11 C ATOM 686 O TYR A 47 11.074 -3.146 2.611 1.00 73.01 O ATOM 687 CB TYR A 47 7.925 -3.675 2.961 1.00 32.41 C ATOM 688 CG TYR A 47 8.165 -3.366 4.427 1.00 14.33 C ATOM 689 CD1 TYR A 47 8.935 -2.276 4.819 1.00 54.40 C ATOM 690 CD2 TYR A 47 7.603 -4.161 5.421 1.00 3.34 C ATOM 691 CE1 TYR A 47 9.142 -1.992 6.157 1.00 65.43 C ATOM 692 CE2 TYR A 47 7.803 -3.881 6.759 1.00 30.54 C ATOM 693 CZ TYR A 47 8.572 -2.796 7.122 1.00 42.45 C ATOM 694 OH TYR A 47 8.771 -2.520 8.457 1.00 12.30 O ATOM 0 H TYR A 47 10.238 -5.225 3.794 1.00 42.32 H new ATOM 0 HA TYR A 47 8.678 -4.868 1.344 1.00 71.43 H new ATOM 0 HB2 TYR A 47 7.740 -2.739 2.434 1.00 32.41 H new ATOM 0 HB3 TYR A 47 7.018 -4.274 2.876 1.00 32.41 H new ATOM 0 HD1 TYR A 47 9.379 -1.641 4.066 1.00 54.40 H new ATOM 0 HD2 TYR A 47 7.000 -5.012 5.142 1.00 3.34 H new ATOM 0 HE1 TYR A 47 9.747 -1.145 6.445 1.00 65.43 H new ATOM 0 HE2 TYR A 47 7.359 -4.509 7.517 1.00 30.54 H new ATOM 0 HH TYR A 47 8.892 -1.555 8.577 1.00 12.30 H new ATOM 704 N ASN A 48 10.051 -2.968 0.621 1.00 14.45 N ATOM 705 CA ASN A 48 10.947 -1.950 0.093 1.00 71.31 C ATOM 706 C ASN A 48 10.186 -0.662 -0.116 1.00 14.51 C ATOM 707 O ASN A 48 8.959 -0.641 -0.052 1.00 63.02 O ATOM 708 CB ASN A 48 11.576 -2.377 -1.233 1.00 14.43 C ATOM 709 CG ASN A 48 12.667 -3.421 -1.085 1.00 63.35 C ATOM 710 OD1 ASN A 48 13.523 -3.550 -1.955 1.00 23.53 O ATOM 711 ND2 ASN A 48 12.664 -4.158 0.014 1.00 22.34 N ATOM 0 H ASN A 48 9.341 -3.279 -0.042 1.00 14.45 H new ATOM 0 HA ASN A 48 11.747 -1.807 0.820 1.00 71.31 H new ATOM 0 HB2 ASN A 48 10.796 -2.770 -1.885 1.00 14.43 H new ATOM 0 HB3 ASN A 48 11.991 -1.499 -1.727 1.00 14.43 H new ATOM 0 HD21 ASN A 48 13.389 -4.861 0.159 1.00 22.34 H new ATOM 0 HD22 ASN A 48 11.937 -4.023 0.716 1.00 22.34 H new ATOM 718 N VAL A 49 10.914 0.399 -0.390 1.00 25.10 N ATOM 719 CA VAL A 49 10.322 1.718 -0.525 1.00 73.11 C ATOM 720 C VAL A 49 11.162 2.581 -1.464 1.00 35.14 C ATOM 721 O VAL A 49 12.370 2.370 -1.597 1.00 51.23 O ATOM 722 CB VAL A 49 10.183 2.406 0.858 1.00 34.22 C ATOM 723 CG1 VAL A 49 11.546 2.665 1.484 1.00 40.44 C ATOM 724 CG2 VAL A 49 9.383 3.697 0.757 1.00 71.33 C ATOM 0 H VAL A 49 11.925 0.376 -0.525 1.00 25.10 H new ATOM 0 HA VAL A 49 9.325 1.603 -0.950 1.00 73.11 H new ATOM 0 HB VAL A 49 9.637 1.723 1.508 1.00 34.22 H new ATOM 0 HG11 VAL A 49 11.416 3.148 2.452 1.00 40.44 H new ATOM 0 HG12 VAL A 49 12.071 1.719 1.618 1.00 40.44 H new ATOM 0 HG13 VAL A 49 12.129 3.314 0.830 1.00 40.44 H new ATOM 0 HG21 VAL A 49 9.304 4.154 1.743 1.00 71.33 H new ATOM 0 HG22 VAL A 49 9.886 4.385 0.077 1.00 71.33 H new ATOM 0 HG23 VAL A 49 8.385 3.478 0.378 1.00 71.33 H new ATOM 734 N SER A 50 10.511 3.521 -2.134 1.00 11.21 N ATOM 735 CA SER A 50 11.196 4.471 -3.000 1.00 65.31 C ATOM 736 C SER A 50 12.030 5.448 -2.172 1.00 22.15 C ATOM 737 O SER A 50 12.033 5.394 -0.939 1.00 43.04 O ATOM 738 CB SER A 50 10.170 5.238 -3.838 1.00 64.13 C ATOM 739 OG SER A 50 9.327 4.343 -4.543 1.00 40.53 O ATOM 0 H SER A 50 9.500 3.647 -2.094 1.00 11.21 H new ATOM 0 HA SER A 50 11.865 3.922 -3.662 1.00 65.31 H new ATOM 0 HB2 SER A 50 9.569 5.877 -3.191 1.00 64.13 H new ATOM 0 HB3 SER A 50 10.684 5.892 -4.542 1.00 64.13 H new ATOM 0 HG SER A 50 9.858 3.592 -4.882 1.00 40.53 H new ATOM 745 N GLU A 51 12.737 6.339 -2.848 1.00 1.30 N ATOM 746 CA GLU A 51 13.554 7.328 -2.169 1.00 73.13 C ATOM 747 C GLU A 51 12.699 8.515 -1.740 1.00 35.35 C ATOM 748 O GLU A 51 11.877 9.012 -2.510 1.00 1.51 O ATOM 749 CB GLU A 51 14.713 7.799 -3.063 1.00 43.35 C ATOM 750 CG GLU A 51 14.287 8.443 -4.381 1.00 55.01 C ATOM 751 CD GLU A 51 13.880 7.436 -5.443 1.00 4.10 C ATOM 752 OE1 GLU A 51 12.716 6.984 -5.435 1.00 0.14 O ATOM 753 OE2 GLU A 51 14.724 7.097 -6.296 1.00 14.03 O ATOM 0 H GLU A 51 12.761 6.397 -3.866 1.00 1.30 H new ATOM 0 HA GLU A 51 13.982 6.862 -1.282 1.00 73.13 H new ATOM 0 HB2 GLU A 51 15.316 8.514 -2.504 1.00 43.35 H new ATOM 0 HB3 GLU A 51 15.353 6.945 -3.283 1.00 43.35 H new ATOM 0 HG2 GLU A 51 13.452 9.119 -4.193 1.00 55.01 H new ATOM 0 HG3 GLU A 51 15.109 9.049 -4.762 1.00 55.01 H new ATOM 760 N LEU A 52 12.878 8.956 -0.508 1.00 72.45 N ATOM 761 CA LEU A 52 12.130 10.088 0.001 1.00 31.24 C ATOM 762 C LEU A 52 12.881 11.383 -0.279 1.00 35.41 C ATOM 763 O LEU A 52 14.042 11.535 0.100 1.00 1.14 O ATOM 764 CB LEU A 52 11.862 9.938 1.501 1.00 54.55 C ATOM 765 CG LEU A 52 10.872 8.832 1.890 1.00 44.45 C ATOM 766 CD1 LEU A 52 11.531 7.462 1.866 1.00 54.14 C ATOM 767 CD2 LEU A 52 10.281 9.114 3.259 1.00 51.35 C ATOM 0 H LEU A 52 13.534 8.547 0.157 1.00 72.45 H new ATOM 0 HA LEU A 52 11.169 10.121 -0.511 1.00 31.24 H new ATOM 0 HB2 LEU A 52 12.810 9.746 2.004 1.00 54.55 H new ATOM 0 HB3 LEU A 52 11.486 10.888 1.882 1.00 54.55 H new ATOM 0 HG LEU A 52 10.069 8.826 1.153 1.00 44.45 H new ATOM 0 HD11 LEU A 52 10.801 6.702 2.147 1.00 54.14 H new ATOM 0 HD12 LEU A 52 11.903 7.255 0.863 1.00 54.14 H new ATOM 0 HD13 LEU A 52 12.362 7.445 2.572 1.00 54.14 H new ATOM 0 HD21 LEU A 52 9.580 8.322 3.523 1.00 51.35 H new ATOM 0 HD22 LEU A 52 11.080 9.153 3.999 1.00 51.35 H new ATOM 0 HD23 LEU A 52 9.757 10.070 3.239 1.00 51.35 H new ATOM 779 N THR A 53 12.215 12.310 -0.951 1.00 51.23 N ATOM 780 CA THR A 53 12.834 13.568 -1.330 1.00 44.41 C ATOM 781 C THR A 53 12.000 14.744 -0.836 1.00 24.04 C ATOM 782 O THR A 53 11.093 14.573 -0.021 1.00 73.45 O ATOM 783 CB THR A 53 13.011 13.668 -2.861 1.00 62.44 C ATOM 784 OG1 THR A 53 11.760 13.428 -3.520 1.00 33.53 O ATOM 785 CG2 THR A 53 14.051 12.671 -3.357 1.00 71.53 C ATOM 0 H THR A 53 11.243 12.213 -1.245 1.00 51.23 H new ATOM 0 HA THR A 53 13.819 13.602 -0.864 1.00 44.41 H new ATOM 0 HB THR A 53 13.357 14.675 -3.095 1.00 62.44 H new ATOM 0 HG1 THR A 53 11.883 13.495 -4.490 1.00 33.53 H new ATOM 0 HG21 THR A 53 14.156 12.762 -4.438 1.00 71.53 H new ATOM 0 HG22 THR A 53 15.009 12.878 -2.880 1.00 71.53 H new ATOM 0 HG23 THR A 53 13.733 11.659 -3.108 1.00 71.53 H new ATOM 793 N GLU A 54 12.323 15.935 -1.315 1.00 44.00 N ATOM 794 CA GLU A 54 11.596 17.136 -0.943 1.00 42.32 C ATOM 795 C GLU A 54 10.184 17.110 -1.517 1.00 22.44 C ATOM 796 O GLU A 54 9.219 17.467 -0.844 1.00 31.43 O ATOM 797 CB GLU A 54 12.327 18.372 -1.471 1.00 31.12 C ATOM 798 CG GLU A 54 13.831 18.360 -1.245 1.00 63.21 C ATOM 799 CD GLU A 54 14.216 18.199 0.212 1.00 2.43 C ATOM 800 OE1 GLU A 54 14.207 19.202 0.953 1.00 51.04 O ATOM 801 OE2 GLU A 54 14.553 17.068 0.615 1.00 20.51 O ATOM 0 H GLU A 54 13.091 16.095 -1.967 1.00 44.00 H new ATOM 0 HA GLU A 54 11.538 17.176 0.145 1.00 42.32 H new ATOM 0 HB2 GLU A 54 12.134 18.464 -2.540 1.00 31.12 H new ATOM 0 HB3 GLU A 54 11.908 19.258 -0.994 1.00 31.12 H new ATOM 0 HG2 GLU A 54 14.272 17.547 -1.822 1.00 63.21 H new ATOM 0 HG3 GLU A 54 14.256 19.289 -1.626 1.00 63.21 H new ATOM 808 N GLU A 55 10.080 16.657 -2.760 1.00 72.25 N ATOM 809 CA GLU A 55 8.842 16.751 -3.518 1.00 65.20 C ATOM 810 C GLU A 55 8.225 15.380 -3.782 1.00 42.24 C ATOM 811 O GLU A 55 7.404 15.232 -4.689 1.00 54.33 O ATOM 812 CB GLU A 55 9.125 17.447 -4.846 1.00 74.23 C ATOM 813 CG GLU A 55 10.236 16.781 -5.643 1.00 63.14 C ATOM 814 CD GLU A 55 10.503 17.471 -6.959 1.00 22.13 C ATOM 815 OE1 GLU A 55 11.242 18.476 -6.967 1.00 60.41 O ATOM 816 OE2 GLU A 55 9.987 17.007 -7.997 1.00 12.53 O ATOM 0 H GLU A 55 10.848 16.217 -3.267 1.00 72.25 H new ATOM 0 HA GLU A 55 8.127 17.324 -2.927 1.00 65.20 H new ATOM 0 HB2 GLU A 55 8.214 17.460 -5.444 1.00 74.23 H new ATOM 0 HB3 GLU A 55 9.395 18.486 -4.655 1.00 74.23 H new ATOM 0 HG2 GLU A 55 11.150 16.774 -5.049 1.00 63.14 H new ATOM 0 HG3 GLU A 55 9.970 15.741 -5.830 1.00 63.14 H new ATOM 823 N SER A 56 8.610 14.381 -3.002 1.00 2.42 N ATOM 824 CA SER A 56 8.064 13.044 -3.184 1.00 31.24 C ATOM 825 C SER A 56 6.595 12.992 -2.797 1.00 31.31 C ATOM 826 O SER A 56 6.246 12.960 -1.617 1.00 42.41 O ATOM 827 CB SER A 56 8.862 12.014 -2.386 1.00 14.13 C ATOM 828 OG SER A 56 9.353 12.570 -1.179 1.00 43.02 O ATOM 0 H SER A 56 9.289 14.468 -2.246 1.00 2.42 H new ATOM 0 HA SER A 56 8.145 12.797 -4.243 1.00 31.24 H new ATOM 0 HB2 SER A 56 8.230 11.154 -2.163 1.00 14.13 H new ATOM 0 HB3 SER A 56 9.695 11.650 -2.987 1.00 14.13 H new ATOM 0 HG SER A 56 8.615 12.988 -0.687 1.00 43.02 H new ATOM 834 N LYS A 57 5.742 13.017 -3.804 1.00 14.13 N ATOM 835 CA LYS A 57 4.312 12.881 -3.603 1.00 72.32 C ATOM 836 C LYS A 57 3.860 11.488 -4.021 1.00 72.54 C ATOM 837 O LYS A 57 2.667 11.176 -4.029 1.00 11.03 O ATOM 838 CB LYS A 57 3.553 13.981 -4.367 1.00 55.11 C ATOM 839 CG LYS A 57 4.222 14.443 -5.659 1.00 5.40 C ATOM 840 CD LYS A 57 4.087 13.427 -6.782 1.00 53.01 C ATOM 841 CE LYS A 57 4.794 13.907 -8.042 1.00 31.44 C ATOM 842 NZ LYS A 57 4.626 12.964 -9.178 1.00 45.45 N ATOM 0 H LYS A 57 6.019 13.131 -4.779 1.00 14.13 H new ATOM 0 HA LYS A 57 4.084 13.005 -2.544 1.00 72.32 H new ATOM 0 HB2 LYS A 57 2.553 13.616 -4.603 1.00 55.11 H new ATOM 0 HB3 LYS A 57 3.431 14.842 -3.710 1.00 55.11 H new ATOM 0 HG2 LYS A 57 3.781 15.389 -5.974 1.00 5.40 H new ATOM 0 HG3 LYS A 57 5.279 14.632 -5.470 1.00 5.40 H new ATOM 0 HD2 LYS A 57 4.508 12.473 -6.466 1.00 53.01 H new ATOM 0 HD3 LYS A 57 3.032 13.255 -6.996 1.00 53.01 H new ATOM 0 HE2 LYS A 57 4.404 14.885 -8.324 1.00 31.44 H new ATOM 0 HE3 LYS A 57 5.856 14.035 -7.833 1.00 31.44 H new ATOM 0 HZ1 LYS A 57 5.067 13.365 -10.030 1.00 45.45 H new ATOM 0 HZ2 LYS A 57 5.081 12.058 -8.947 1.00 45.45 H new ATOM 0 HZ3 LYS A 57 3.613 12.808 -9.353 1.00 45.45 H new ATOM 856 N GLU A 58 4.842 10.650 -4.346 1.00 64.32 N ATOM 857 CA GLU A 58 4.592 9.268 -4.738 1.00 45.14 C ATOM 858 C GLU A 58 5.686 8.371 -4.178 1.00 14.52 C ATOM 859 O GLU A 58 6.856 8.759 -4.158 1.00 44.41 O ATOM 860 CB GLU A 58 4.584 9.123 -6.262 1.00 42.33 C ATOM 861 CG GLU A 58 3.540 9.961 -6.972 1.00 50.54 C ATOM 862 CD GLU A 58 3.735 9.953 -8.471 1.00 61.04 C ATOM 863 OE1 GLU A 58 4.837 10.326 -8.926 1.00 20.33 O ATOM 864 OE2 GLU A 58 2.792 9.589 -9.206 1.00 33.13 O ATOM 0 H GLU A 58 5.828 10.910 -4.345 1.00 64.32 H new ATOM 0 HA GLU A 58 3.618 8.978 -4.344 1.00 45.14 H new ATOM 0 HB2 GLU A 58 5.568 9.393 -6.644 1.00 42.33 H new ATOM 0 HB3 GLU A 58 4.421 8.075 -6.513 1.00 42.33 H new ATOM 0 HG2 GLU A 58 2.546 9.582 -6.733 1.00 50.54 H new ATOM 0 HG3 GLU A 58 3.587 10.986 -6.605 1.00 50.54 H new ATOM 871 N LEU A 59 5.314 7.190 -3.711 1.00 52.20 N ATOM 872 CA LEU A 59 6.299 6.198 -3.311 1.00 72.45 C ATOM 873 C LEU A 59 5.765 4.804 -3.572 1.00 53.01 C ATOM 874 O LEU A 59 4.564 4.553 -3.455 1.00 1.23 O ATOM 875 CB LEU A 59 6.704 6.345 -1.835 1.00 23.31 C ATOM 876 CG LEU A 59 5.751 5.742 -0.790 1.00 52.54 C ATOM 877 CD1 LEU A 59 6.349 5.870 0.601 1.00 13.42 C ATOM 878 CD2 LEU A 59 4.382 6.405 -0.829 1.00 62.42 C ATOM 0 H LEU A 59 4.344 6.896 -3.600 1.00 52.20 H new ATOM 0 HA LEU A 59 7.194 6.364 -3.910 1.00 72.45 H new ATOM 0 HB2 LEU A 59 7.684 5.887 -1.705 1.00 23.31 H new ATOM 0 HB3 LEU A 59 6.817 7.407 -1.618 1.00 23.31 H new ATOM 0 HG LEU A 59 5.620 4.688 -1.033 1.00 52.54 H new ATOM 0 HD11 LEU A 59 5.665 5.439 1.332 1.00 13.42 H new ATOM 0 HD12 LEU A 59 7.301 5.340 0.638 1.00 13.42 H new ATOM 0 HD13 LEU A 59 6.511 6.923 0.832 1.00 13.42 H new ATOM 0 HD21 LEU A 59 3.737 5.952 -0.076 1.00 62.42 H new ATOM 0 HD22 LEU A 59 4.488 7.470 -0.623 1.00 62.42 H new ATOM 0 HD23 LEU A 59 3.940 6.269 -1.816 1.00 62.42 H new ATOM 890 N THR A 60 6.655 3.911 -3.936 1.00 34.03 N ATOM 891 CA THR A 60 6.287 2.541 -4.213 1.00 55.51 C ATOM 892 C THR A 60 6.846 1.613 -3.145 1.00 42.13 C ATOM 893 O THR A 60 8.060 1.452 -3.018 1.00 12.41 O ATOM 894 CB THR A 60 6.794 2.102 -5.598 1.00 11.32 C ATOM 895 OG1 THR A 60 6.309 3.005 -6.604 1.00 4.14 O ATOM 896 CG2 THR A 60 6.339 0.686 -5.922 1.00 3.11 C ATOM 0 H THR A 60 7.649 4.111 -4.048 1.00 34.03 H new ATOM 0 HA THR A 60 5.199 2.481 -4.206 1.00 55.51 H new ATOM 0 HB THR A 60 7.884 2.120 -5.583 1.00 11.32 H new ATOM 0 HG1 THR A 60 6.636 2.721 -7.483 1.00 4.14 H new ATOM 0 HG21 THR A 60 6.711 0.401 -6.906 1.00 3.11 H new ATOM 0 HG22 THR A 60 6.730 -0.002 -5.173 1.00 3.11 H new ATOM 0 HG23 THR A 60 5.250 0.644 -5.920 1.00 3.11 H new ATOM 904 N ALA A 61 5.958 1.023 -2.371 1.00 42.32 N ATOM 905 CA ALA A 61 6.350 0.077 -1.348 1.00 75.51 C ATOM 906 C ALA A 61 6.089 -1.336 -1.835 1.00 22.51 C ATOM 907 O ALA A 61 4.946 -1.715 -2.084 1.00 14.42 O ATOM 908 CB ALA A 61 5.593 0.345 -0.058 1.00 4.54 C ATOM 0 H ALA A 61 4.953 1.184 -2.433 1.00 42.32 H new ATOM 0 HA ALA A 61 7.415 0.192 -1.146 1.00 75.51 H new ATOM 0 HB1 ALA A 61 5.900 -0.375 0.700 1.00 4.54 H new ATOM 0 HB2 ALA A 61 5.813 1.354 0.290 1.00 4.54 H new ATOM 0 HB3 ALA A 61 4.522 0.249 -0.238 1.00 4.54 H new ATOM 914 N ARG A 62 7.148 -2.106 -1.994 1.00 1.10 N ATOM 915 CA ARG A 62 7.019 -3.447 -2.526 1.00 42.15 C ATOM 916 C ARG A 62 7.069 -4.459 -1.396 1.00 15.11 C ATOM 917 O ARG A 62 8.085 -4.586 -0.713 1.00 20.14 O ATOM 918 CB ARG A 62 8.127 -3.711 -3.547 1.00 73.12 C ATOM 919 CG ARG A 62 7.632 -4.411 -4.799 1.00 44.14 C ATOM 920 CD ARG A 62 8.587 -4.222 -5.967 1.00 21.41 C ATOM 921 NE ARG A 62 7.947 -4.539 -7.242 1.00 51.23 N ATOM 922 CZ ARG A 62 7.865 -3.694 -8.274 1.00 42.31 C ATOM 923 NH1 ARG A 62 8.410 -2.483 -8.207 1.00 13.24 N ATOM 924 NH2 ARG A 62 7.233 -4.072 -9.370 1.00 74.32 N ATOM 0 H ARG A 62 8.102 -1.827 -1.764 1.00 1.10 H new ATOM 0 HA ARG A 62 6.058 -3.545 -3.031 1.00 42.15 H new ATOM 0 HB2 ARG A 62 8.588 -2.764 -3.826 1.00 73.12 H new ATOM 0 HB3 ARG A 62 8.904 -4.318 -3.082 1.00 73.12 H new ATOM 0 HG2 ARG A 62 7.511 -5.475 -4.597 1.00 44.14 H new ATOM 0 HG3 ARG A 62 6.649 -4.024 -5.067 1.00 44.14 H new ATOM 0 HD2 ARG A 62 8.943 -3.192 -5.984 1.00 21.41 H new ATOM 0 HD3 ARG A 62 9.461 -4.859 -5.830 1.00 21.41 H new ATOM 0 HE ARG A 62 7.536 -5.466 -7.351 1.00 51.23 H new ATOM 0 HH11 ARG A 62 8.898 -2.189 -7.361 1.00 13.24 H new ATOM 0 HH12 ARG A 62 8.340 -1.848 -9.002 1.00 13.24 H new ATOM 0 HH21 ARG A 62 6.814 -5.000 -9.422 1.00 74.32 H new ATOM 0 HH22 ARG A 62 7.164 -3.436 -10.164 1.00 74.32 H new ATOM 938 N PHE A 63 5.967 -5.165 -1.200 1.00 21.03 N ATOM 939 CA PHE A 63 5.848 -6.123 -0.112 1.00 32.25 C ATOM 940 C PHE A 63 6.052 -7.540 -0.626 1.00 34.21 C ATOM 941 O PHE A 63 5.298 -8.017 -1.474 1.00 41.53 O ATOM 942 CB PHE A 63 4.471 -6.016 0.554 1.00 13.04 C ATOM 943 CG PHE A 63 4.186 -4.678 1.177 1.00 71.15 C ATOM 944 CD1 PHE A 63 4.544 -4.421 2.491 1.00 34.25 C ATOM 945 CD2 PHE A 63 3.556 -3.679 0.451 1.00 73.14 C ATOM 946 CE1 PHE A 63 4.281 -3.194 3.069 1.00 12.30 C ATOM 947 CE2 PHE A 63 3.292 -2.451 1.024 1.00 31.03 C ATOM 948 CZ PHE A 63 3.654 -2.207 2.334 1.00 2.25 C ATOM 0 H PHE A 63 5.135 -5.091 -1.786 1.00 21.03 H new ATOM 0 HA PHE A 63 6.619 -5.894 0.624 1.00 32.25 H new ATOM 0 HB2 PHE A 63 3.703 -6.228 -0.190 1.00 13.04 H new ATOM 0 HB3 PHE A 63 4.391 -6.785 1.322 1.00 13.04 H new ATOM 0 HD1 PHE A 63 5.035 -5.189 3.070 1.00 34.25 H new ATOM 0 HD2 PHE A 63 3.269 -3.863 -0.574 1.00 73.14 H new ATOM 0 HE1 PHE A 63 4.565 -3.007 4.094 1.00 12.30 H new ATOM 0 HE2 PHE A 63 2.802 -1.681 0.447 1.00 31.03 H new ATOM 0 HZ PHE A 63 3.447 -1.247 2.783 1.00 2.25 H new ATOM 958 N LYS A 64 7.079 -8.200 -0.122 1.00 73.22 N ATOM 959 CA LYS A 64 7.327 -9.589 -0.459 1.00 41.24 C ATOM 960 C LYS A 64 6.854 -10.476 0.683 1.00 2.40 C ATOM 961 O LYS A 64 7.461 -10.508 1.758 1.00 40.55 O ATOM 962 CB LYS A 64 8.814 -9.818 -0.758 1.00 4.21 C ATOM 963 CG LYS A 64 9.143 -11.233 -1.218 1.00 44.24 C ATOM 964 CD LYS A 64 9.715 -12.080 -0.092 1.00 34.03 C ATOM 965 CE LYS A 64 9.896 -13.531 -0.518 1.00 52.50 C ATOM 966 NZ LYS A 64 10.611 -14.326 0.515 1.00 52.54 N ATOM 0 H LYS A 64 7.756 -7.795 0.524 1.00 73.22 H new ATOM 0 HA LYS A 64 6.770 -9.846 -1.360 1.00 41.24 H new ATOM 0 HB2 LYS A 64 9.132 -9.114 -1.527 1.00 4.21 H new ATOM 0 HB3 LYS A 64 9.393 -9.594 0.138 1.00 4.21 H new ATOM 0 HG2 LYS A 64 8.241 -11.707 -1.606 1.00 44.24 H new ATOM 0 HG3 LYS A 64 9.859 -11.190 -2.039 1.00 44.24 H new ATOM 0 HD2 LYS A 64 10.675 -11.670 0.221 1.00 34.03 H new ATOM 0 HD3 LYS A 64 9.052 -12.034 0.772 1.00 34.03 H new ATOM 0 HE2 LYS A 64 8.920 -13.978 -0.709 1.00 52.50 H new ATOM 0 HE3 LYS A 64 10.453 -13.568 -1.454 1.00 52.50 H new ATOM 0 HZ1 LYS A 64 10.714 -15.308 0.188 1.00 52.54 H new ATOM 0 HZ2 LYS A 64 11.552 -13.915 0.680 1.00 52.54 H new ATOM 0 HZ3 LYS A 64 10.067 -14.312 1.402 1.00 52.54 H new ATOM 980 N PHE A 65 5.753 -11.169 0.448 1.00 73.14 N ATOM 981 CA PHE A 65 5.152 -12.032 1.449 1.00 62.32 C ATOM 982 C PHE A 65 5.849 -13.386 1.456 1.00 2.44 C ATOM 983 O PHE A 65 6.869 -13.573 0.787 1.00 31.32 O ATOM 984 CB PHE A 65 3.656 -12.198 1.164 1.00 1.12 C ATOM 985 CG PHE A 65 2.900 -10.895 1.149 1.00 72.44 C ATOM 986 CD1 PHE A 65 2.837 -10.123 0.000 1.00 75.42 C ATOM 987 CD2 PHE A 65 2.259 -10.442 2.288 1.00 42.10 C ATOM 988 CE1 PHE A 65 2.149 -8.926 -0.010 1.00 31.33 C ATOM 989 CE2 PHE A 65 1.570 -9.246 2.284 1.00 42.45 C ATOM 990 CZ PHE A 65 1.515 -8.486 1.134 1.00 13.40 C ATOM 0 H PHE A 65 5.252 -11.149 -0.440 1.00 73.14 H new ATOM 0 HA PHE A 65 5.270 -11.577 2.432 1.00 62.32 H new ATOM 0 HB2 PHE A 65 3.530 -12.693 0.201 1.00 1.12 H new ATOM 0 HB3 PHE A 65 3.221 -12.853 1.919 1.00 1.12 H new ATOM 0 HD1 PHE A 65 3.332 -10.462 -0.898 1.00 75.42 H new ATOM 0 HD2 PHE A 65 2.298 -11.032 3.192 1.00 42.10 H new ATOM 0 HE1 PHE A 65 2.107 -8.334 -0.913 1.00 31.33 H new ATOM 0 HE2 PHE A 65 1.074 -8.905 3.181 1.00 42.45 H new ATOM 0 HZ PHE A 65 0.977 -7.549 1.129 1.00 13.40 H new ATOM 1000 N GLU A 66 5.317 -14.325 2.216 1.00 61.13 N ATOM 1001 CA GLU A 66 5.914 -15.627 2.325 1.00 44.43 C ATOM 1002 C GLU A 66 5.155 -16.631 1.464 1.00 25.33 C ATOM 1003 O GLU A 66 5.760 -17.448 0.765 1.00 32.21 O ATOM 1004 CB GLU A 66 5.928 -16.037 3.790 1.00 2.54 C ATOM 1005 CG GLU A 66 6.730 -17.277 4.052 1.00 51.11 C ATOM 1006 CD GLU A 66 7.200 -17.361 5.487 1.00 42.01 C ATOM 1007 OE1 GLU A 66 6.347 -17.369 6.400 1.00 64.12 O ATOM 1008 OE2 GLU A 66 8.429 -17.416 5.710 1.00 62.22 O ATOM 0 H GLU A 66 4.467 -14.201 2.767 1.00 61.13 H new ATOM 0 HA GLU A 66 6.940 -15.603 1.959 1.00 44.43 H new ATOM 0 HB2 GLU A 66 6.333 -15.218 4.385 1.00 2.54 H new ATOM 0 HB3 GLU A 66 4.903 -16.198 4.125 1.00 2.54 H new ATOM 0 HG2 GLU A 66 6.127 -18.154 3.817 1.00 51.11 H new ATOM 0 HG3 GLU A 66 7.593 -17.296 3.387 1.00 51.11 H new ATOM 1015 N VAL A 67 3.832 -16.560 1.505 1.00 43.31 N ATOM 1016 CA VAL A 67 3.002 -17.389 0.644 1.00 42.05 C ATOM 1017 C VAL A 67 2.050 -16.523 -0.175 1.00 10.41 C ATOM 1018 O VAL A 67 1.820 -15.356 0.153 1.00 53.42 O ATOM 1019 CB VAL A 67 2.193 -18.442 1.439 1.00 24.31 C ATOM 1020 CG1 VAL A 67 3.121 -19.364 2.216 1.00 50.14 C ATOM 1021 CG2 VAL A 67 1.192 -17.776 2.372 1.00 1.20 C ATOM 0 H VAL A 67 3.312 -15.938 2.124 1.00 43.31 H new ATOM 0 HA VAL A 67 3.678 -17.925 -0.023 1.00 42.05 H new ATOM 0 HB VAL A 67 1.635 -19.044 0.722 1.00 24.31 H new ATOM 0 HG11 VAL A 67 2.530 -20.095 2.767 1.00 50.14 H new ATOM 0 HG12 VAL A 67 3.784 -19.881 1.523 1.00 50.14 H new ATOM 0 HG13 VAL A 67 3.715 -18.777 2.916 1.00 50.14 H new ATOM 0 HG21 VAL A 67 0.638 -18.540 2.917 1.00 1.20 H new ATOM 0 HG22 VAL A 67 1.722 -17.138 3.079 1.00 1.20 H new ATOM 0 HG23 VAL A 67 0.497 -17.172 1.789 1.00 1.20 H new ATOM 1031 N SER A 68 1.491 -17.101 -1.232 1.00 23.12 N ATOM 1032 CA SER A 68 0.626 -16.366 -2.142 1.00 60.53 C ATOM 1033 C SER A 68 -0.676 -15.943 -1.469 1.00 33.41 C ATOM 1034 O SER A 68 -1.289 -14.945 -1.853 1.00 14.33 O ATOM 1035 CB SER A 68 0.344 -17.210 -3.385 1.00 41.24 C ATOM 1036 OG SER A 68 -0.039 -18.531 -3.034 1.00 51.30 O ATOM 0 H SER A 68 1.624 -18.082 -1.479 1.00 23.12 H new ATOM 0 HA SER A 68 1.144 -15.454 -2.438 1.00 60.53 H new ATOM 0 HB2 SER A 68 -0.447 -16.744 -3.972 1.00 41.24 H new ATOM 0 HB3 SER A 68 1.233 -17.242 -4.015 1.00 41.24 H new ATOM 0 HG SER A 68 -0.215 -19.048 -3.848 1.00 51.30 H new ATOM 1042 N ALA A 69 -1.082 -16.698 -0.460 1.00 52.44 N ATOM 1043 CA ALA A 69 -2.291 -16.392 0.296 1.00 74.13 C ATOM 1044 C ALA A 69 -2.193 -15.012 0.934 1.00 63.43 C ATOM 1045 O ALA A 69 -3.078 -14.179 0.763 1.00 30.30 O ATOM 1046 CB ALA A 69 -2.540 -17.453 1.360 1.00 52.41 C ATOM 0 H ALA A 69 -0.590 -17.533 -0.143 1.00 52.44 H new ATOM 0 HA ALA A 69 -3.134 -16.391 -0.395 1.00 74.13 H new ATOM 0 HB1 ALA A 69 -3.446 -17.207 1.914 1.00 52.41 H new ATOM 0 HB2 ALA A 69 -2.659 -18.426 0.883 1.00 52.41 H new ATOM 0 HB3 ALA A 69 -1.694 -17.486 2.046 1.00 52.41 H new ATOM 1052 N GLU A 70 -1.091 -14.771 1.638 1.00 21.23 N ATOM 1053 CA GLU A 70 -0.858 -13.496 2.310 1.00 14.44 C ATOM 1054 C GLU A 70 -0.893 -12.352 1.302 1.00 41.42 C ATOM 1055 O GLU A 70 -1.475 -11.294 1.553 1.00 52.41 O ATOM 1056 CB GLU A 70 0.499 -13.542 3.013 1.00 71.42 C ATOM 1057 CG GLU A 70 0.640 -14.723 3.958 1.00 15.11 C ATOM 1058 CD GLU A 70 2.061 -14.927 4.440 1.00 3.10 C ATOM 1059 OE1 GLU A 70 2.990 -14.795 3.620 1.00 53.54 O ATOM 1060 OE2 GLU A 70 2.248 -15.260 5.634 1.00 61.13 O ATOM 0 H GLU A 70 -0.339 -15.449 1.759 1.00 21.23 H new ATOM 0 HA GLU A 70 -1.643 -13.325 3.047 1.00 14.44 H new ATOM 0 HB2 GLU A 70 1.289 -13.588 2.263 1.00 71.42 H new ATOM 0 HB3 GLU A 70 0.644 -12.618 3.572 1.00 71.42 H new ATOM 0 HG2 GLU A 70 -0.012 -14.573 4.819 1.00 15.11 H new ATOM 0 HG3 GLU A 70 0.299 -15.628 3.454 1.00 15.11 H new ATOM 1067 N LYS A 71 -0.283 -12.604 0.154 1.00 20.42 N ATOM 1068 CA LYS A 71 -0.229 -11.651 -0.944 1.00 25.05 C ATOM 1069 C LYS A 71 -1.635 -11.268 -1.392 1.00 43.22 C ATOM 1070 O LYS A 71 -2.002 -10.090 -1.417 1.00 51.22 O ATOM 1071 CB LYS A 71 0.534 -12.298 -2.102 1.00 3.13 C ATOM 1072 CG LYS A 71 1.097 -11.330 -3.132 1.00 12.44 C ATOM 1073 CD LYS A 71 0.089 -11.015 -4.224 1.00 22.32 C ATOM 1074 CE LYS A 71 0.758 -10.347 -5.416 1.00 32.50 C ATOM 1075 NZ LYS A 71 -0.198 -10.127 -6.531 1.00 71.23 N ATOM 0 H LYS A 71 0.193 -13.484 -0.044 1.00 20.42 H new ATOM 0 HA LYS A 71 0.278 -10.742 -0.619 1.00 25.05 H new ATOM 0 HB2 LYS A 71 1.356 -12.884 -1.691 1.00 3.13 H new ATOM 0 HB3 LYS A 71 -0.132 -12.996 -2.610 1.00 3.13 H new ATOM 0 HG2 LYS A 71 1.396 -10.406 -2.637 1.00 12.44 H new ATOM 0 HG3 LYS A 71 1.995 -11.757 -3.579 1.00 12.44 H new ATOM 0 HD2 LYS A 71 -0.400 -11.934 -4.547 1.00 22.32 H new ATOM 0 HD3 LYS A 71 -0.688 -10.362 -3.827 1.00 22.32 H new ATOM 0 HE2 LYS A 71 1.182 -9.392 -5.107 1.00 32.50 H new ATOM 0 HE3 LYS A 71 1.585 -10.966 -5.763 1.00 32.50 H new ATOM 0 HZ1 LYS A 71 0.250 -9.537 -7.261 1.00 71.23 H new ATOM 0 HZ2 LYS A 71 -0.468 -11.043 -6.943 1.00 71.23 H new ATOM 0 HZ3 LYS A 71 -1.047 -9.646 -6.171 1.00 71.23 H new ATOM 1089 N LEU A 72 -2.413 -12.281 -1.741 1.00 2.35 N ATOM 1090 CA LEU A 72 -3.778 -12.081 -2.224 1.00 61.13 C ATOM 1091 C LEU A 72 -4.672 -11.471 -1.146 1.00 31.44 C ATOM 1092 O LEU A 72 -5.457 -10.569 -1.430 1.00 75.34 O ATOM 1093 CB LEU A 72 -4.374 -13.409 -2.705 1.00 21.00 C ATOM 1094 CG LEU A 72 -3.639 -14.068 -3.875 1.00 24.31 C ATOM 1095 CD1 LEU A 72 -4.300 -15.387 -4.243 1.00 33.10 C ATOM 1096 CD2 LEU A 72 -3.604 -13.137 -5.077 1.00 24.31 C ATOM 0 H LEU A 72 -2.123 -13.258 -1.700 1.00 2.35 H new ATOM 0 HA LEU A 72 -3.732 -11.383 -3.060 1.00 61.13 H new ATOM 0 HB2 LEU A 72 -4.389 -14.106 -1.867 1.00 21.00 H new ATOM 0 HB3 LEU A 72 -5.410 -13.239 -2.997 1.00 21.00 H new ATOM 0 HG LEU A 72 -2.613 -14.270 -3.567 1.00 24.31 H new ATOM 0 HD11 LEU A 72 -3.765 -15.842 -5.076 1.00 33.10 H new ATOM 0 HD12 LEU A 72 -4.274 -16.059 -3.385 1.00 33.10 H new ATOM 0 HD13 LEU A 72 -5.336 -15.207 -4.532 1.00 33.10 H new ATOM 0 HD21 LEU A 72 -3.078 -13.623 -5.898 1.00 24.31 H new ATOM 0 HD22 LEU A 72 -4.623 -12.904 -5.386 1.00 24.31 H new ATOM 0 HD23 LEU A 72 -3.087 -12.216 -4.809 1.00 24.31 H new ATOM 1108 N ILE A 73 -4.549 -11.959 0.084 1.00 22.35 N ATOM 1109 CA ILE A 73 -5.361 -11.458 1.192 1.00 33.25 C ATOM 1110 C ILE A 73 -5.099 -9.971 1.434 1.00 73.42 C ATOM 1111 O ILE A 73 -6.026 -9.204 1.704 1.00 52.13 O ATOM 1112 CB ILE A 73 -5.115 -12.262 2.492 1.00 22.03 C ATOM 1113 CG1 ILE A 73 -5.617 -13.699 2.325 1.00 63.11 C ATOM 1114 CG2 ILE A 73 -5.794 -11.601 3.684 1.00 3.53 C ATOM 1115 CD1 ILE A 73 -5.346 -14.586 3.524 1.00 13.44 C ATOM 0 H ILE A 73 -3.896 -12.700 0.341 1.00 22.35 H new ATOM 0 HA ILE A 73 -6.405 -11.588 0.909 1.00 33.25 H new ATOM 0 HB ILE A 73 -4.042 -12.279 2.683 1.00 22.03 H new ATOM 0 HG12 ILE A 73 -6.690 -13.679 2.135 1.00 63.11 H new ATOM 0 HG13 ILE A 73 -5.146 -14.139 1.446 1.00 63.11 H new ATOM 0 HG21 ILE A 73 -5.604 -12.188 4.583 1.00 3.53 H new ATOM 0 HG22 ILE A 73 -5.397 -10.595 3.817 1.00 3.53 H new ATOM 0 HG23 ILE A 73 -6.868 -11.547 3.507 1.00 3.53 H new ATOM 0 HD11 ILE A 73 -5.730 -15.587 3.330 1.00 13.44 H new ATOM 0 HD12 ILE A 73 -4.272 -14.638 3.703 1.00 13.44 H new ATOM 0 HD13 ILE A 73 -5.840 -14.171 4.402 1.00 13.44 H new ATOM 1127 N PHE A 74 -3.840 -9.564 1.315 1.00 54.51 N ATOM 1128 CA PHE A 74 -3.476 -8.159 1.458 1.00 24.22 C ATOM 1129 C PHE A 74 -4.173 -7.320 0.388 1.00 12.03 C ATOM 1130 O PHE A 74 -4.695 -6.233 0.667 1.00 3.45 O ATOM 1131 CB PHE A 74 -1.958 -7.994 1.359 1.00 15.44 C ATOM 1132 CG PHE A 74 -1.470 -6.594 1.621 1.00 41.54 C ATOM 1133 CD1 PHE A 74 -1.291 -6.141 2.918 1.00 70.01 C ATOM 1134 CD2 PHE A 74 -1.185 -5.734 0.571 1.00 1.03 C ATOM 1135 CE1 PHE A 74 -0.837 -4.858 3.164 1.00 31.40 C ATOM 1136 CE2 PHE A 74 -0.730 -4.452 0.811 1.00 13.01 C ATOM 1137 CZ PHE A 74 -0.556 -4.012 2.108 1.00 62.30 C ATOM 0 H PHE A 74 -3.055 -10.186 1.120 1.00 54.51 H new ATOM 0 HA PHE A 74 -3.801 -7.811 2.438 1.00 24.22 H new ATOM 0 HB2 PHE A 74 -1.483 -8.671 2.069 1.00 15.44 H new ATOM 0 HB3 PHE A 74 -1.635 -8.299 0.364 1.00 15.44 H new ATOM 0 HD1 PHE A 74 -1.509 -6.798 3.747 1.00 70.01 H new ATOM 0 HD2 PHE A 74 -1.320 -6.071 -0.446 1.00 1.03 H new ATOM 0 HE1 PHE A 74 -0.702 -4.518 4.180 1.00 31.40 H new ATOM 0 HE2 PHE A 74 -0.510 -3.794 -0.016 1.00 13.01 H new ATOM 0 HZ PHE A 74 -0.201 -3.010 2.297 1.00 62.30 H new ATOM 1147 N GLU A 75 -4.194 -7.840 -0.832 1.00 10.51 N ATOM 1148 CA GLU A 75 -4.852 -7.166 -1.943 1.00 42.30 C ATOM 1149 C GLU A 75 -6.371 -7.150 -1.766 1.00 13.14 C ATOM 1150 O GLU A 75 -7.042 -6.218 -2.205 1.00 34.52 O ATOM 1151 CB GLU A 75 -4.477 -7.823 -3.273 1.00 1.44 C ATOM 1152 CG GLU A 75 -3.087 -7.448 -3.759 1.00 65.52 C ATOM 1153 CD GLU A 75 -2.849 -7.849 -5.199 1.00 14.12 C ATOM 1154 OE1 GLU A 75 -3.782 -7.712 -6.019 1.00 62.52 O ATOM 1155 OE2 GLU A 75 -1.730 -8.286 -5.525 1.00 24.20 O ATOM 0 H GLU A 75 -3.761 -8.730 -1.078 1.00 10.51 H new ATOM 0 HA GLU A 75 -4.505 -6.133 -1.954 1.00 42.30 H new ATOM 0 HB2 GLU A 75 -4.536 -8.906 -3.165 1.00 1.44 H new ATOM 0 HB3 GLU A 75 -5.208 -7.538 -4.030 1.00 1.44 H new ATOM 0 HG2 GLU A 75 -2.948 -6.372 -3.657 1.00 65.52 H new ATOM 0 HG3 GLU A 75 -2.342 -7.927 -3.124 1.00 65.52 H new ATOM 1162 N LEU A 76 -6.908 -8.176 -1.123 1.00 22.24 N ATOM 1163 CA LEU A 76 -8.322 -8.243 -0.840 1.00 50.50 C ATOM 1164 C LEU A 76 -8.716 -7.195 0.198 1.00 24.32 C ATOM 1165 O LEU A 76 -9.677 -6.446 0.009 1.00 10.52 O ATOM 1166 CB LEU A 76 -8.658 -9.638 -0.326 1.00 55.20 C ATOM 1167 CG LEU A 76 -8.571 -10.766 -1.358 1.00 44.15 C ATOM 1168 CD1 LEU A 76 -8.750 -12.117 -0.686 1.00 32.13 C ATOM 1169 CD2 LEU A 76 -9.613 -10.576 -2.447 1.00 70.13 C ATOM 0 H LEU A 76 -6.374 -8.978 -0.787 1.00 22.24 H new ATOM 0 HA LEU A 76 -8.880 -8.040 -1.754 1.00 50.50 H new ATOM 0 HB2 LEU A 76 -7.985 -9.873 0.499 1.00 55.20 H new ATOM 0 HB3 LEU A 76 -9.669 -9.621 0.082 1.00 55.20 H new ATOM 0 HG LEU A 76 -7.583 -10.734 -1.817 1.00 44.15 H new ATOM 0 HD11 LEU A 76 -8.685 -12.907 -1.434 1.00 32.13 H new ATOM 0 HD12 LEU A 76 -7.968 -12.259 0.060 1.00 32.13 H new ATOM 0 HD13 LEU A 76 -9.725 -12.156 -0.201 1.00 32.13 H new ATOM 0 HD21 LEU A 76 -9.535 -11.387 -3.171 1.00 70.13 H new ATOM 0 HD22 LEU A 76 -10.608 -10.580 -2.003 1.00 70.13 H new ATOM 0 HD23 LEU A 76 -9.444 -9.624 -2.950 1.00 70.13 H new ATOM 1181 N LYS A 77 -7.958 -7.145 1.290 1.00 71.41 N ATOM 1182 CA LYS A 77 -8.232 -6.210 2.374 1.00 12.11 C ATOM 1183 C LYS A 77 -8.138 -4.768 1.900 1.00 45.32 C ATOM 1184 O LYS A 77 -9.032 -3.967 2.165 1.00 63.33 O ATOM 1185 CB LYS A 77 -7.268 -6.440 3.541 1.00 24.24 C ATOM 1186 CG LYS A 77 -7.518 -7.744 4.273 1.00 4.21 C ATOM 1187 CD LYS A 77 -6.626 -7.891 5.490 1.00 42.30 C ATOM 1188 CE LYS A 77 -6.894 -9.203 6.211 1.00 12.15 C ATOM 1189 NZ LYS A 77 -8.300 -9.307 6.683 1.00 0.15 N ATOM 0 H LYS A 77 -7.147 -7.744 1.447 1.00 71.41 H new ATOM 0 HA LYS A 77 -9.252 -6.391 2.714 1.00 12.11 H new ATOM 0 HB2 LYS A 77 -6.245 -6.432 3.166 1.00 24.24 H new ATOM 0 HB3 LYS A 77 -7.356 -5.613 4.245 1.00 24.24 H new ATOM 0 HG2 LYS A 77 -8.562 -7.793 4.581 1.00 4.21 H new ATOM 0 HG3 LYS A 77 -7.346 -8.580 3.594 1.00 4.21 H new ATOM 0 HD2 LYS A 77 -5.580 -7.847 5.186 1.00 42.30 H new ATOM 0 HD3 LYS A 77 -6.795 -7.057 6.171 1.00 42.30 H new ATOM 0 HE2 LYS A 77 -6.675 -10.035 5.542 1.00 12.15 H new ATOM 0 HE3 LYS A 77 -6.219 -9.292 7.062 1.00 12.15 H new ATOM 0 HZ1 LYS A 77 -8.381 -10.090 7.363 1.00 0.15 H new ATOM 0 HZ2 LYS A 77 -8.578 -8.417 7.144 1.00 0.15 H new ATOM 0 HZ3 LYS A 77 -8.926 -9.487 5.872 1.00 0.15 H new ATOM 1203 N THR A 78 -7.072 -4.449 1.182 1.00 60.42 N ATOM 1204 CA THR A 78 -6.845 -3.087 0.718 1.00 34.03 C ATOM 1205 C THR A 78 -7.974 -2.602 -0.189 1.00 12.12 C ATOM 1206 O THR A 78 -8.285 -1.415 -0.214 1.00 64.45 O ATOM 1207 CB THR A 78 -5.499 -2.960 -0.020 1.00 13.23 C ATOM 1208 OG1 THR A 78 -5.348 -4.036 -0.956 1.00 54.53 O ATOM 1209 CG2 THR A 78 -4.340 -2.962 0.964 1.00 64.13 C ATOM 0 H THR A 78 -6.349 -5.115 0.907 1.00 60.42 H new ATOM 0 HA THR A 78 -6.820 -2.457 1.607 1.00 34.03 H new ATOM 0 HB THR A 78 -5.492 -2.012 -0.558 1.00 13.23 H new ATOM 0 HG1 THR A 78 -5.037 -4.838 -0.486 1.00 54.53 H new ATOM 0 HG21 THR A 78 -3.400 -2.871 0.419 1.00 64.13 H new ATOM 0 HG22 THR A 78 -4.444 -2.122 1.651 1.00 64.13 H new ATOM 0 HG23 THR A 78 -4.344 -3.894 1.529 1.00 64.13 H new ATOM 1217 N ARG A 79 -8.597 -3.524 -0.917 1.00 65.31 N ATOM 1218 CA ARG A 79 -9.681 -3.183 -1.816 1.00 34.14 C ATOM 1219 C ARG A 79 -10.907 -2.682 -1.057 1.00 43.41 C ATOM 1220 O ARG A 79 -11.523 -1.692 -1.451 1.00 41.32 O ATOM 1221 CB ARG A 79 -10.046 -4.385 -2.688 1.00 10.53 C ATOM 1222 CG ARG A 79 -9.090 -4.601 -3.851 1.00 43.14 C ATOM 1223 CD ARG A 79 -9.744 -5.363 -4.994 1.00 64.15 C ATOM 1224 NE ARG A 79 -9.647 -6.814 -4.841 1.00 13.44 N ATOM 1225 CZ ARG A 79 -10.519 -7.679 -5.367 1.00 75.42 C ATOM 1226 NH1 ARG A 79 -11.632 -7.239 -5.948 1.00 64.13 N ATOM 1227 NH2 ARG A 79 -10.278 -8.982 -5.302 1.00 1.12 N ATOM 0 H ARG A 79 -8.364 -4.517 -0.897 1.00 65.31 H new ATOM 0 HA ARG A 79 -9.337 -2.371 -2.457 1.00 34.14 H new ATOM 0 HB2 ARG A 79 -10.062 -5.282 -2.069 1.00 10.53 H new ATOM 0 HB3 ARG A 79 -11.055 -4.249 -3.077 1.00 10.53 H new ATOM 0 HG2 ARG A 79 -8.737 -3.636 -4.214 1.00 43.14 H new ATOM 0 HG3 ARG A 79 -8.215 -5.150 -3.503 1.00 43.14 H new ATOM 0 HD2 ARG A 79 -10.794 -5.079 -5.059 1.00 64.15 H new ATOM 0 HD3 ARG A 79 -9.276 -5.070 -5.934 1.00 64.15 H new ATOM 0 HE ARG A 79 -8.867 -7.188 -4.300 1.00 13.44 H new ATOM 0 HH11 ARG A 79 -11.822 -6.238 -5.993 1.00 64.13 H new ATOM 0 HH12 ARG A 79 -12.295 -7.903 -6.348 1.00 64.13 H new ATOM 0 HH21 ARG A 79 -9.428 -9.322 -4.851 1.00 1.12 H new ATOM 0 HH22 ARG A 79 -10.942 -9.644 -5.703 1.00 1.12 H new ATOM 1241 N SER A 80 -11.258 -3.360 0.028 1.00 15.25 N ATOM 1242 CA SER A 80 -12.457 -3.012 0.778 1.00 21.30 C ATOM 1243 C SER A 80 -12.162 -1.967 1.853 1.00 22.20 C ATOM 1244 O SER A 80 -12.996 -1.106 2.136 1.00 4.42 O ATOM 1245 CB SER A 80 -13.064 -4.270 1.406 1.00 34.41 C ATOM 1246 OG SER A 80 -14.283 -3.988 2.076 1.00 45.21 O ATOM 0 H SER A 80 -10.733 -4.149 0.406 1.00 15.25 H new ATOM 0 HA SER A 80 -13.176 -2.576 0.084 1.00 21.30 H new ATOM 0 HB2 SER A 80 -13.239 -5.015 0.630 1.00 34.41 H new ATOM 0 HB3 SER A 80 -12.354 -4.704 2.110 1.00 34.41 H new ATOM 0 HG SER A 80 -14.642 -4.814 2.463 1.00 45.21 H new ATOM 1252 N LEU A 81 -10.976 -2.039 2.439 1.00 10.25 N ATOM 1253 CA LEU A 81 -10.579 -1.120 3.487 1.00 62.30 C ATOM 1254 C LEU A 81 -10.288 0.258 2.904 1.00 54.31 C ATOM 1255 O LEU A 81 -10.692 1.281 3.458 1.00 13.42 O ATOM 1256 CB LEU A 81 -9.343 -1.677 4.202 1.00 44.23 C ATOM 1257 CG LEU A 81 -8.407 -0.631 4.795 1.00 63.32 C ATOM 1258 CD1 LEU A 81 -8.974 -0.041 6.077 1.00 2.11 C ATOM 1259 CD2 LEU A 81 -7.035 -1.227 5.038 1.00 32.45 C ATOM 0 H LEU A 81 -10.268 -2.733 2.201 1.00 10.25 H new ATOM 0 HA LEU A 81 -11.392 -1.015 4.205 1.00 62.30 H new ATOM 0 HB2 LEU A 81 -9.674 -2.339 5.002 1.00 44.23 H new ATOM 0 HB3 LEU A 81 -8.779 -2.287 3.496 1.00 44.23 H new ATOM 0 HG LEU A 81 -8.311 0.181 4.074 1.00 63.32 H new ATOM 0 HD11 LEU A 81 -8.281 0.701 6.473 1.00 2.11 H new ATOM 0 HD12 LEU A 81 -9.933 0.433 5.866 1.00 2.11 H new ATOM 0 HD13 LEU A 81 -9.115 -0.834 6.811 1.00 2.11 H new ATOM 0 HD21 LEU A 81 -6.378 -0.467 5.462 1.00 32.45 H new ATOM 0 HD22 LEU A 81 -7.119 -2.062 5.733 1.00 32.45 H new ATOM 0 HD23 LEU A 81 -6.620 -1.580 4.094 1.00 32.45 H new ATOM 1271 N ALA A 82 -9.612 0.275 1.770 1.00 62.34 N ATOM 1272 CA ALA A 82 -9.223 1.517 1.140 1.00 24.51 C ATOM 1273 C ALA A 82 -9.960 1.670 -0.173 1.00 60.12 C ATOM 1274 O ALA A 82 -9.477 1.260 -1.228 1.00 32.55 O ATOM 1275 CB ALA A 82 -7.714 1.578 0.932 1.00 15.31 C ATOM 0 H ALA A 82 -9.321 -0.563 1.267 1.00 62.34 H new ATOM 0 HA ALA A 82 -9.493 2.345 1.796 1.00 24.51 H new ATOM 0 HB1 ALA A 82 -7.450 2.523 0.457 1.00 15.31 H new ATOM 0 HB2 ALA A 82 -7.211 1.504 1.896 1.00 15.31 H new ATOM 0 HB3 ALA A 82 -7.401 0.751 0.295 1.00 15.31 H new ATOM 1281 N ARG A 83 -11.158 2.215 -0.092 1.00 52.43 N ATOM 1282 CA ARG A 83 -11.973 2.421 -1.270 1.00 72.12 C ATOM 1283 C ARG A 83 -11.400 3.559 -2.090 1.00 25.45 C ATOM 1284 O ARG A 83 -11.444 4.724 -1.695 1.00 44.33 O ATOM 1285 CB ARG A 83 -13.423 2.697 -0.888 1.00 51.42 C ATOM 1286 CG ARG A 83 -14.385 2.692 -2.066 1.00 12.32 C ATOM 1287 CD ARG A 83 -15.835 2.780 -1.606 1.00 43.14 C ATOM 1288 NE ARG A 83 -16.773 2.656 -2.722 1.00 53.33 N ATOM 1289 CZ ARG A 83 -18.086 2.460 -2.582 1.00 71.00 C ATOM 1290 NH1 ARG A 83 -18.626 2.323 -1.380 1.00 4.54 N ATOM 1291 NH2 ARG A 83 -18.853 2.383 -3.660 1.00 44.04 N ATOM 0 H ARG A 83 -11.588 2.523 0.780 1.00 52.43 H new ATOM 0 HA ARG A 83 -11.962 1.512 -1.872 1.00 72.12 H new ATOM 0 HB2 ARG A 83 -13.746 1.948 -0.165 1.00 51.42 H new ATOM 0 HB3 ARG A 83 -13.479 3.665 -0.391 1.00 51.42 H new ATOM 0 HG2 ARG A 83 -14.160 3.531 -2.724 1.00 12.32 H new ATOM 0 HG3 ARG A 83 -14.242 1.782 -2.649 1.00 12.32 H new ATOM 0 HD2 ARG A 83 -16.032 1.994 -0.877 1.00 43.14 H new ATOM 0 HD3 ARG A 83 -15.998 3.732 -1.100 1.00 43.14 H new ATOM 0 HE ARG A 83 -16.399 2.724 -3.669 1.00 53.33 H new ATOM 0 HH11 ARG A 83 -18.037 2.367 -0.548 1.00 4.54 H new ATOM 0 HH12 ARG A 83 -19.631 2.174 -1.286 1.00 4.54 H new ATOM 0 HH21 ARG A 83 -18.439 2.473 -4.588 1.00 44.04 H new ATOM 0 HH22 ARG A 83 -19.857 2.233 -3.562 1.00 44.04 H new ATOM 1305 N LEU A 84 -10.858 3.195 -3.226 1.00 22.21 N ATOM 1306 CA LEU A 84 -10.153 4.124 -4.089 1.00 54.51 C ATOM 1307 C LEU A 84 -11.134 4.808 -5.013 1.00 44.13 C ATOM 1308 O LEU A 84 -11.180 4.538 -6.216 1.00 72.03 O ATOM 1309 CB LEU A 84 -9.077 3.407 -4.900 1.00 34.11 C ATOM 1310 CG LEU A 84 -8.007 2.682 -4.077 1.00 73.32 C ATOM 1311 CD1 LEU A 84 -7.028 1.966 -4.995 1.00 44.13 C ATOM 1312 CD2 LEU A 84 -7.271 3.660 -3.168 1.00 42.32 C ATOM 0 H LEU A 84 -10.891 2.241 -3.584 1.00 22.21 H new ATOM 0 HA LEU A 84 -9.664 4.872 -3.466 1.00 54.51 H new ATOM 0 HB2 LEU A 84 -9.562 2.682 -5.554 1.00 34.11 H new ATOM 0 HB3 LEU A 84 -8.584 4.136 -5.543 1.00 34.11 H new ATOM 0 HG LEU A 84 -8.500 1.940 -3.449 1.00 73.32 H new ATOM 0 HD11 LEU A 84 -6.274 1.456 -4.396 1.00 44.13 H new ATOM 0 HD12 LEU A 84 -7.565 1.236 -5.601 1.00 44.13 H new ATOM 0 HD13 LEU A 84 -6.543 2.692 -5.647 1.00 44.13 H new ATOM 0 HD21 LEU A 84 -6.516 3.124 -2.593 1.00 42.32 H new ATOM 0 HD22 LEU A 84 -6.789 4.427 -3.774 1.00 42.32 H new ATOM 0 HD23 LEU A 84 -7.981 4.129 -2.487 1.00 42.32 H new ATOM 1324 N GLU A 85 -11.942 5.656 -4.414 1.00 34.44 N ATOM 1325 CA GLU A 85 -12.951 6.417 -5.128 1.00 70.21 C ATOM 1326 C GLU A 85 -13.970 5.477 -5.756 1.00 35.42 C ATOM 1327 O GLU A 85 -14.519 4.609 -5.075 1.00 2.14 O ATOM 1328 CB GLU A 85 -12.291 7.319 -6.172 1.00 64.04 C ATOM 1329 CG GLU A 85 -11.424 8.398 -5.549 1.00 24.11 C ATOM 1330 CD GLU A 85 -12.244 9.515 -4.942 1.00 11.25 C ATOM 1331 OE1 GLU A 85 -12.972 9.264 -3.960 1.00 75.10 O ATOM 1332 OE2 GLU A 85 -12.184 10.646 -5.465 1.00 71.12 O ATOM 0 H GLU A 85 -11.919 5.840 -3.411 1.00 34.44 H new ATOM 0 HA GLU A 85 -13.483 7.059 -4.426 1.00 70.21 H new ATOM 0 HB2 GLU A 85 -11.682 6.710 -6.840 1.00 64.04 H new ATOM 0 HB3 GLU A 85 -13.063 7.787 -6.783 1.00 64.04 H new ATOM 0 HG2 GLU A 85 -10.793 7.954 -4.779 1.00 24.11 H new ATOM 0 HG3 GLU A 85 -10.759 8.810 -6.308 1.00 24.11 H new ATOM 1339 N HIS A 86 -14.227 5.639 -7.040 1.00 40.23 N ATOM 1340 CA HIS A 86 -15.194 4.798 -7.719 1.00 45.33 C ATOM 1341 C HIS A 86 -14.743 4.472 -9.137 1.00 31.24 C ATOM 1342 O HIS A 86 -15.063 5.178 -10.092 1.00 33.22 O ATOM 1343 CB HIS A 86 -16.597 5.432 -7.707 1.00 10.44 C ATOM 1344 CG HIS A 86 -16.660 6.853 -8.183 1.00 62.45 C ATOM 1345 ND1 HIS A 86 -17.259 7.222 -9.363 1.00 34.00 N ATOM 1346 CD2 HIS A 86 -16.217 7.998 -7.615 1.00 62.31 C ATOM 1347 CE1 HIS A 86 -17.181 8.530 -9.504 1.00 65.11 C ATOM 1348 NE2 HIS A 86 -16.554 9.029 -8.455 1.00 44.25 N ATOM 0 H HIS A 86 -13.782 6.341 -7.631 1.00 40.23 H new ATOM 0 HA HIS A 86 -15.256 3.859 -7.170 1.00 45.33 H new ATOM 0 HB2 HIS A 86 -17.257 4.828 -8.330 1.00 10.44 H new ATOM 0 HB3 HIS A 86 -16.989 5.388 -6.691 1.00 10.44 H new ATOM 0 HD2 HIS A 86 -15.694 8.085 -6.674 1.00 62.31 H new ATOM 0 HE1 HIS A 86 -17.566 9.098 -10.338 1.00 65.11 H new ATOM 0 HE2 HIS A 86 -16.354 10.016 -8.296 1.00 44.25 H new ATOM 1357 N HIS A 87 -13.955 3.417 -9.251 1.00 62.34 N ATOM 1358 CA HIS A 87 -13.551 2.895 -10.544 1.00 53.21 C ATOM 1359 C HIS A 87 -14.602 1.910 -11.019 1.00 71.24 C ATOM 1360 O HIS A 87 -14.784 0.852 -10.415 1.00 45.33 O ATOM 1361 CB HIS A 87 -12.182 2.210 -10.455 1.00 13.33 C ATOM 1362 CG HIS A 87 -11.036 3.151 -10.227 1.00 24.03 C ATOM 1363 ND1 HIS A 87 -9.795 2.967 -10.792 1.00 4.11 N ATOM 1364 CD2 HIS A 87 -10.941 4.280 -9.483 1.00 51.03 C ATOM 1365 CE1 HIS A 87 -8.989 3.937 -10.408 1.00 11.53 C ATOM 1366 NE2 HIS A 87 -9.660 4.749 -9.615 1.00 64.41 N ATOM 0 H HIS A 87 -13.579 2.901 -8.455 1.00 62.34 H new ATOM 0 HA HIS A 87 -13.463 3.718 -11.254 1.00 53.21 H new ATOM 0 HB2 HIS A 87 -12.205 1.481 -9.645 1.00 13.33 H new ATOM 0 HB3 HIS A 87 -12.005 1.656 -11.377 1.00 13.33 H new ATOM 0 HD2 HIS A 87 -11.729 4.727 -8.895 1.00 51.03 H new ATOM 0 HE1 HIS A 87 -7.954 4.048 -10.695 1.00 11.53 H new ATOM 0 HE2 HIS A 87 -9.287 5.589 -9.172 1.00 64.41 H new ATOM 1375 N HIS A 88 -15.309 2.264 -12.082 1.00 73.44 N ATOM 1376 CA HIS A 88 -16.441 1.462 -12.524 1.00 51.20 C ATOM 1377 C HIS A 88 -15.984 0.183 -13.225 1.00 51.31 C ATOM 1378 O HIS A 88 -15.677 0.168 -14.419 1.00 53.21 O ATOM 1379 CB HIS A 88 -17.425 2.271 -13.398 1.00 24.12 C ATOM 1380 CG HIS A 88 -16.854 2.856 -14.660 1.00 34.22 C ATOM 1381 ND1 HIS A 88 -17.062 2.303 -15.904 1.00 73.22 N ATOM 1382 CD2 HIS A 88 -16.117 3.970 -14.867 1.00 74.35 C ATOM 1383 CE1 HIS A 88 -16.476 3.052 -16.818 1.00 31.41 C ATOM 1384 NE2 HIS A 88 -15.898 4.075 -16.219 1.00 40.35 N ATOM 0 H HIS A 88 -15.123 3.091 -12.649 1.00 73.44 H new ATOM 0 HA HIS A 88 -16.987 1.167 -11.628 1.00 51.20 H new ATOM 0 HB2 HIS A 88 -18.260 1.623 -13.666 1.00 24.12 H new ATOM 0 HB3 HIS A 88 -17.832 3.083 -12.796 1.00 24.12 H new ATOM 0 HD2 HIS A 88 -15.765 4.653 -14.108 1.00 74.35 H new ATOM 0 HE1 HIS A 88 -16.470 2.859 -17.881 1.00 31.41 H new ATOM 0 HE2 HIS A 88 -15.376 4.819 -16.682 1.00 40.35 H new ATOM 1393 N HIS A 89 -15.900 -0.877 -12.440 1.00 10.44 N ATOM 1394 CA HIS A 89 -15.633 -2.211 -12.949 1.00 11.11 C ATOM 1395 C HIS A 89 -16.909 -2.754 -13.582 1.00 70.02 C ATOM 1396 O HIS A 89 -17.873 -3.069 -12.881 1.00 63.32 O ATOM 1397 CB HIS A 89 -15.155 -3.114 -11.797 1.00 10.22 C ATOM 1398 CG HIS A 89 -14.823 -4.531 -12.185 1.00 44.54 C ATOM 1399 ND1 HIS A 89 -13.546 -5.046 -12.127 1.00 22.13 N ATOM 1400 CD2 HIS A 89 -15.615 -5.554 -12.586 1.00 32.30 C ATOM 1401 CE1 HIS A 89 -13.569 -6.318 -12.476 1.00 65.21 C ATOM 1402 NE2 HIS A 89 -14.811 -6.655 -12.759 1.00 24.20 N ATOM 0 H HIS A 89 -16.016 -0.836 -11.427 1.00 10.44 H new ATOM 0 HA HIS A 89 -14.848 -2.184 -13.704 1.00 11.11 H new ATOM 0 HB2 HIS A 89 -14.272 -2.662 -11.345 1.00 10.22 H new ATOM 0 HB3 HIS A 89 -15.929 -3.137 -11.030 1.00 10.22 H new ATOM 0 HD2 HIS A 89 -16.683 -5.512 -12.741 1.00 32.30 H new ATOM 0 HE1 HIS A 89 -12.712 -6.974 -12.522 1.00 65.21 H new ATOM 0 HE2 HIS A 89 -15.124 -7.579 -13.057 1.00 24.20 H new ATOM 1411 N HIS A 90 -16.929 -2.839 -14.902 1.00 61.23 N ATOM 1412 CA HIS A 90 -18.122 -3.281 -15.602 1.00 44.45 C ATOM 1413 C HIS A 90 -18.179 -4.797 -15.643 1.00 3.42 C ATOM 1414 O HIS A 90 -17.165 -5.472 -15.469 1.00 75.03 O ATOM 1415 CB HIS A 90 -18.198 -2.697 -17.024 1.00 51.31 C ATOM 1416 CG HIS A 90 -17.165 -3.208 -17.991 1.00 3.12 C ATOM 1417 ND1 HIS A 90 -16.157 -2.418 -18.493 1.00 43.34 N ATOM 1418 CD2 HIS A 90 -17.015 -4.420 -18.580 1.00 15.04 C ATOM 1419 CE1 HIS A 90 -15.434 -3.119 -19.347 1.00 13.45 C ATOM 1420 NE2 HIS A 90 -15.934 -4.339 -19.420 1.00 4.41 N ATOM 0 H HIS A 90 -16.139 -2.610 -15.506 1.00 61.23 H new ATOM 0 HA HIS A 90 -18.986 -2.910 -15.051 1.00 44.45 H new ATOM 0 HB2 HIS A 90 -19.187 -2.907 -17.432 1.00 51.31 H new ATOM 0 HB3 HIS A 90 -18.104 -1.613 -16.958 1.00 51.31 H new ATOM 0 HD2 HIS A 90 -17.634 -5.290 -18.417 1.00 15.04 H new ATOM 0 HE1 HIS A 90 -14.577 -2.755 -19.894 1.00 13.45 H new ATOM 0 HE2 HIS A 90 -15.576 -5.095 -20.004 1.00 4.41 H new ATOM 1429 N HIS A 91 -19.368 -5.323 -15.857 1.00 1.40 N ATOM 1430 CA HIS A 91 -19.563 -6.756 -15.959 1.00 53.23 C ATOM 1431 C HIS A 91 -19.982 -7.102 -17.379 1.00 65.32 C ATOM 1432 O HIS A 91 -21.126 -6.773 -17.751 1.00 38.38 O ATOM 1433 CB HIS A 91 -20.630 -7.234 -14.967 1.00 43.45 C ATOM 1434 CG HIS A 91 -20.416 -6.749 -13.565 1.00 74.23 C ATOM 1435 ND1 HIS A 91 -21.276 -5.874 -12.937 1.00 3.33 N ATOM 1436 CD2 HIS A 91 -19.440 -7.020 -12.664 1.00 43.32 C ATOM 1437 CE1 HIS A 91 -20.842 -5.626 -11.717 1.00 3.03 C ATOM 1438 NE2 HIS A 91 -19.729 -6.308 -11.525 1.00 2.31 N ATOM 1439 OXT HIS A 91 -19.167 -7.686 -18.118 1.00 38.38 O ATOM 0 H HIS A 91 -20.221 -4.774 -15.965 1.00 1.40 H new ATOM 0 HA HIS A 91 -18.627 -7.258 -15.717 1.00 53.23 H new ATOM 0 HB2 HIS A 91 -21.608 -6.899 -15.312 1.00 43.45 H new ATOM 0 HB3 HIS A 91 -20.648 -8.324 -14.965 1.00 43.45 H new ATOM 0 HD2 HIS A 91 -18.593 -7.674 -12.814 1.00 43.32 H new ATOM 0 HE1 HIS A 91 -21.317 -4.975 -10.997 1.00 3.03 H new ATOM 0 HE2 HIS A 91 -19.173 -6.307 -10.670 1.00 2.31 H new TER 1448 HIS A 91