USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 390 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 16 GLN : amide:sc= -7.82 K(o=-10,f=-7.5!) USER MOD Set 1.2: A 19 SER OG : rot -93:sc= -2.23 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 163:sc= -0.0135 (180deg=-0.14) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0168 USER MOD Single : A 25 MET CE :methyl -113:sc= -2.38 (180deg=-4.96!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 152:sc= 0.725 (180deg=0.219) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.224 USER MOD Single : A 35 ASN : amide:sc= -0.437 K(o=-0.44,f=-2.9!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0747 K(o=-0.075,f=-0.9) USER MOD Single : A 39 LYS NZ :NH3+ -128:sc= 1.11 (180deg=-0.73) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -5.47! C(o=-5.5!,f=-6.8!) USER MOD Single : A 50 GLN : amide:sc= -0.0119 X(o=-0.012,f=0) USER MOD Single : A 57 TYR OH : rot 22:sc= 0.719 USER MOD Single : A 59 LYS NZ :NH3+ -110:sc= -0.267 (180deg=-1.86!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 7 -1.071 11.587 -6.630 1.00 0.00 N ATOM 2 CA GLU A 7 -2.262 10.743 -6.647 1.00 0.00 C ATOM 3 C GLU A 7 -2.691 10.380 -5.226 1.00 0.00 C ATOM 4 O GLU A 7 -3.608 10.985 -4.673 1.00 0.00 O ATOM 5 CB GLU A 7 -2.005 9.473 -7.464 1.00 0.00 C ATOM 6 CG GLU A 7 -2.845 9.384 -8.726 1.00 0.00 C ATOM 7 CD GLU A 7 -2.067 8.841 -9.907 1.00 0.00 C ATOM 8 OE1 GLU A 7 -0.937 9.320 -10.145 1.00 0.00 O ATOM 9 OE2 GLU A 7 -2.585 7.937 -10.597 1.00 0.00 O ATOM 0 HA GLU A 7 -3.070 11.304 -7.116 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.950 9.433 -7.736 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.207 8.602 -6.840 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.708 8.745 -8.539 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.229 10.374 -8.973 1.00 0.00 H new ATOM 14 N LEU A 8 -2.024 9.388 -4.642 1.00 0.00 N ATOM 15 CA LEU A 8 -2.340 8.947 -3.288 1.00 0.00 C ATOM 16 C LEU A 8 -1.429 7.798 -2.862 1.00 0.00 C ATOM 17 O LEU A 8 -0.522 7.984 -2.050 1.00 0.00 O ATOM 18 CB LEU A 8 -3.807 8.519 -3.195 1.00 0.00 C ATOM 19 CG LEU A 8 -4.589 9.130 -2.030 1.00 0.00 C ATOM 20 CD1 LEU A 8 -4.658 10.643 -2.168 1.00 0.00 C ATOM 21 CD2 LEU A 8 -5.988 8.535 -1.959 1.00 0.00 C ATOM 0 H LEU A 8 -1.262 8.875 -5.085 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.173 9.785 -2.612 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.307 8.785 -4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.848 7.433 -3.110 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.067 8.894 -1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.218 11.060 -1.331 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.649 11.055 -2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.157 10.901 -3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.531 8.980 -1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.519 8.741 -2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.918 7.457 -1.812 1.00 0.00 H new ATOM 32 N VAL A 9 -1.677 6.612 -3.414 1.00 0.00 N ATOM 33 CA VAL A 9 -0.881 5.427 -3.093 1.00 0.00 C ATOM 34 C VAL A 9 -1.386 4.204 -3.852 1.00 0.00 C ATOM 35 O VAL A 9 -2.555 3.836 -3.747 1.00 0.00 O ATOM 36 CB VAL A 9 -0.894 5.113 -1.579 1.00 0.00 C ATOM 37 CG1 VAL A 9 0.338 5.689 -0.900 1.00 0.00 C ATOM 38 CG2 VAL A 9 -2.167 5.635 -0.925 1.00 0.00 C ATOM 0 H VAL A 9 -2.425 6.445 -4.087 1.00 0.00 H new ATOM 0 HA VAL A 9 0.141 5.653 -3.396 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.874 4.030 -1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.309 5.457 0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.234 5.254 -1.342 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.356 6.770 -1.035 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.151 5.401 0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.228 6.715 -1.059 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.034 5.163 -1.387 1.00 0.00 H new ATOM 48 N LEU A 10 -0.497 3.575 -4.611 1.00 0.00 N ATOM 49 CA LEU A 10 -0.852 2.388 -5.382 1.00 0.00 C ATOM 50 C LEU A 10 0.094 1.236 -5.065 1.00 0.00 C ATOM 51 O LEU A 10 1.291 1.443 -4.864 1.00 0.00 O ATOM 52 CB LEU A 10 -0.824 2.687 -6.887 1.00 0.00 C ATOM 53 CG LEU A 10 0.025 3.892 -7.301 1.00 0.00 C ATOM 54 CD1 LEU A 10 0.357 3.827 -8.782 1.00 0.00 C ATOM 55 CD2 LEU A 10 -0.698 5.191 -6.973 1.00 0.00 C ATOM 0 H LEU A 10 0.475 3.866 -4.710 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.865 2.098 -5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.452 1.805 -7.409 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.847 2.850 -7.227 1.00 0.00 H new ATOM 0 HG LEU A 10 0.958 3.865 -6.738 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.961 4.692 -9.058 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.914 2.914 -8.990 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.566 3.829 -9.362 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.080 6.037 -7.274 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.646 5.225 -7.509 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.886 5.242 -5.901 1.00 0.00 H new ATOM 66 N ALA A 11 -0.449 0.021 -5.023 1.00 0.00 N ATOM 67 CA ALA A 11 0.350 -1.168 -4.732 1.00 0.00 C ATOM 68 C ALA A 11 1.571 -1.245 -5.644 1.00 0.00 C ATOM 69 O ALA A 11 2.584 -1.849 -5.292 1.00 0.00 O ATOM 70 CB ALA A 11 -0.499 -2.421 -4.876 1.00 0.00 C ATOM 0 H ALA A 11 -1.438 -0.166 -5.187 1.00 0.00 H new ATOM 0 HA ALA A 11 0.702 -1.097 -3.703 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.108 -3.299 -4.657 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.336 -2.375 -4.179 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.879 -2.488 -5.896 1.00 0.00 H new ATOM 76 N LEU A 12 1.466 -0.627 -6.821 1.00 0.00 N ATOM 77 CA LEU A 12 2.558 -0.618 -7.792 1.00 0.00 C ATOM 78 C LEU A 12 2.795 -2.015 -8.356 1.00 0.00 C ATOM 79 O LEU A 12 2.515 -2.279 -9.525 1.00 0.00 O ATOM 80 CB LEU A 12 3.843 -0.082 -7.153 1.00 0.00 C ATOM 81 CG LEU A 12 4.275 1.305 -7.633 1.00 0.00 C ATOM 82 CD1 LEU A 12 4.348 1.346 -9.151 1.00 0.00 C ATOM 83 CD2 LEU A 12 3.318 2.368 -7.116 1.00 0.00 C ATOM 0 H LEU A 12 0.632 -0.125 -7.125 1.00 0.00 H new ATOM 0 HA LEU A 12 2.274 0.041 -8.612 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.707 -0.050 -6.072 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.651 -0.786 -7.352 1.00 0.00 H new ATOM 0 HG LEU A 12 5.269 1.513 -7.236 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.657 2.340 -9.474 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.072 0.610 -9.500 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.368 1.117 -9.569 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.640 3.349 -7.467 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.313 2.163 -7.484 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.315 2.355 -6.026 1.00 0.00 H new ATOM 94 N TYR A 13 3.310 -2.909 -7.518 1.00 0.00 N ATOM 95 CA TYR A 13 3.579 -4.278 -7.937 1.00 0.00 C ATOM 96 C TYR A 13 2.281 -5.066 -8.083 1.00 0.00 C ATOM 97 O TYR A 13 1.852 -5.369 -9.196 1.00 0.00 O ATOM 98 CB TYR A 13 4.507 -4.971 -6.936 1.00 0.00 C ATOM 99 CG TYR A 13 5.569 -5.829 -7.588 1.00 0.00 C ATOM 100 CD1 TYR A 13 6.264 -5.384 -8.707 1.00 0.00 C ATOM 101 CD2 TYR A 13 5.879 -7.087 -7.082 1.00 0.00 C ATOM 102 CE1 TYR A 13 7.234 -6.167 -9.303 1.00 0.00 C ATOM 103 CE2 TYR A 13 6.848 -7.874 -7.673 1.00 0.00 C ATOM 104 CZ TYR A 13 7.522 -7.411 -8.783 1.00 0.00 C ATOM 105 OH TYR A 13 8.488 -8.193 -9.374 1.00 0.00 O ATOM 0 H TYR A 13 3.549 -2.710 -6.547 1.00 0.00 H new ATOM 0 HA TYR A 13 4.072 -4.244 -8.908 1.00 0.00 H new ATOM 0 HB2 TYR A 13 4.991 -4.215 -6.319 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.909 -5.592 -6.269 1.00 0.00 H new ATOM 0 HD1 TYR A 13 6.042 -4.410 -9.117 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.353 -7.454 -6.213 1.00 0.00 H new ATOM 0 HE1 TYR A 13 7.764 -5.806 -10.172 1.00 0.00 H new ATOM 0 HE2 TYR A 13 7.077 -8.848 -7.267 1.00 0.00 H new ATOM 0 HH TYR A 13 8.569 -9.038 -8.885 1.00 0.00 H new ATOM 114 N ASP A 14 1.657 -5.393 -6.951 1.00 0.00 N ATOM 115 CA ASP A 14 0.403 -6.147 -6.953 1.00 0.00 C ATOM 116 C ASP A 14 0.071 -6.658 -5.555 1.00 0.00 C ATOM 117 O ASP A 14 -0.969 -6.317 -4.994 1.00 0.00 O ATOM 118 CB ASP A 14 0.474 -7.328 -7.933 1.00 0.00 C ATOM 119 CG ASP A 14 1.829 -8.010 -7.935 1.00 0.00 C ATOM 120 OD1 ASP A 14 2.598 -7.807 -6.974 1.00 0.00 O ATOM 121 OD2 ASP A 14 2.119 -8.749 -8.900 1.00 0.00 O ATOM 0 H ASP A 14 1.999 -5.148 -6.022 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.387 -5.469 -7.276 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.294 -8.057 -7.673 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.249 -6.973 -8.939 1.00 0.00 H new ATOM 125 N TYR A 15 0.959 -7.480 -4.998 1.00 0.00 N ATOM 126 CA TYR A 15 0.754 -8.042 -3.663 1.00 0.00 C ATOM 127 C TYR A 15 1.957 -8.881 -3.237 1.00 0.00 C ATOM 128 O TYR A 15 3.035 -8.783 -3.824 1.00 0.00 O ATOM 129 CB TYR A 15 -0.512 -8.897 -3.645 1.00 0.00 C ATOM 130 CG TYR A 15 -0.377 -10.199 -4.406 1.00 0.00 C ATOM 131 CD1 TYR A 15 -0.610 -10.253 -5.774 1.00 0.00 C ATOM 132 CD2 TYR A 15 -0.012 -11.370 -3.755 1.00 0.00 C ATOM 133 CE1 TYR A 15 -0.483 -11.439 -6.472 1.00 0.00 C ATOM 134 CE2 TYR A 15 0.118 -12.560 -4.446 1.00 0.00 C ATOM 135 CZ TYR A 15 -0.118 -12.588 -5.803 1.00 0.00 C ATOM 136 OH TYR A 15 0.008 -13.771 -6.495 1.00 0.00 O ATOM 0 H TYR A 15 1.826 -7.772 -5.449 1.00 0.00 H new ATOM 0 HA TYR A 15 0.641 -7.219 -2.957 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.777 -9.117 -2.611 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -1.335 -8.322 -4.070 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -0.895 -9.354 -6.301 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.173 -11.351 -2.691 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.669 -11.466 -7.536 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.403 -13.462 -3.925 1.00 0.00 H new ATOM 0 HH TYR A 15 0.272 -14.485 -5.878 1.00 0.00 H new ATOM 145 N GLN A 16 1.764 -9.711 -2.213 1.00 0.00 N ATOM 146 CA GLN A 16 2.831 -10.570 -1.713 1.00 0.00 C ATOM 147 C GLN A 16 2.303 -11.966 -1.395 1.00 0.00 C ATOM 148 O GLN A 16 2.899 -12.970 -1.786 1.00 0.00 O ATOM 149 CB GLN A 16 3.462 -9.956 -0.463 1.00 0.00 C ATOM 150 CG GLN A 16 2.479 -9.755 0.678 1.00 0.00 C ATOM 151 CD GLN A 16 3.113 -9.089 1.882 1.00 0.00 C ATOM 152 OE1 GLN A 16 4.337 -8.988 1.978 1.00 0.00 O ATOM 153 NE2 GLN A 16 2.283 -8.630 2.812 1.00 0.00 N ATOM 0 H GLN A 16 0.879 -9.805 -1.715 1.00 0.00 H new ATOM 0 HA GLN A 16 3.589 -10.656 -2.492 1.00 0.00 H new ATOM 0 HB2 GLN A 16 4.274 -10.599 -0.123 1.00 0.00 H new ATOM 0 HB3 GLN A 16 3.904 -8.995 -0.724 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.643 -9.148 0.330 1.00 0.00 H new ATOM 0 HG3 GLN A 16 2.070 -10.721 0.975 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.275 -8.734 2.693 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.653 -8.173 3.645 1.00 0.00 H new ATOM 160 N GLU A 17 1.181 -12.022 -0.682 1.00 0.00 N ATOM 161 CA GLU A 17 0.569 -13.295 -0.306 1.00 0.00 C ATOM 162 C GLU A 17 1.588 -14.218 0.359 1.00 0.00 C ATOM 163 O GLU A 17 1.479 -15.440 0.273 1.00 0.00 O ATOM 164 CB GLU A 17 -0.028 -13.979 -1.537 1.00 0.00 C ATOM 165 CG GLU A 17 -1.023 -15.079 -1.197 1.00 0.00 C ATOM 166 CD GLU A 17 -0.445 -16.467 -1.388 1.00 0.00 C ATOM 167 OE1 GLU A 17 -0.035 -16.789 -2.522 1.00 0.00 O ATOM 168 OE2 GLU A 17 -0.404 -17.234 -0.402 1.00 0.00 O ATOM 0 H GLU A 17 0.676 -11.200 -0.352 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.226 -13.089 0.410 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.523 -13.230 -2.155 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.779 -14.402 -2.135 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.347 -14.964 -0.163 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.909 -14.969 -1.823 1.00 0.00 H new ATOM 173 N LYS A 18 2.576 -13.624 1.021 1.00 0.00 N ATOM 174 CA LYS A 18 3.612 -14.394 1.700 1.00 0.00 C ATOM 175 C LYS A 18 3.486 -14.261 3.214 1.00 0.00 C ATOM 176 O LYS A 18 3.511 -15.256 3.938 1.00 0.00 O ATOM 177 CB LYS A 18 4.998 -13.930 1.249 1.00 0.00 C ATOM 178 CG LYS A 18 6.135 -14.743 1.845 1.00 0.00 C ATOM 179 CD LYS A 18 6.301 -16.076 1.130 1.00 0.00 C ATOM 180 CE LYS A 18 6.938 -17.118 2.034 1.00 0.00 C ATOM 181 NZ LYS A 18 5.996 -17.594 3.083 1.00 0.00 N ATOM 0 H LYS A 18 2.681 -12.613 1.102 1.00 0.00 H new ATOM 0 HA LYS A 18 3.483 -15.443 1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.054 -13.985 0.162 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.129 -12.883 1.523 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.063 -14.175 1.779 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.943 -14.918 2.904 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.328 -16.432 0.792 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.917 -15.939 0.241 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.271 -17.965 1.434 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.824 -16.695 2.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.348 -18.485 3.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.922 -16.878 3.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.058 -17.752 2.662 1.00 0.00 H new ATOM 191 N SER A 19 3.347 -13.026 3.685 1.00 0.00 N ATOM 192 CA SER A 19 3.215 -12.762 5.115 1.00 0.00 C ATOM 193 C SER A 19 2.015 -13.508 5.695 1.00 0.00 C ATOM 194 O SER A 19 1.152 -13.982 4.956 1.00 0.00 O ATOM 195 CB SER A 19 3.072 -11.259 5.366 1.00 0.00 C ATOM 196 OG SER A 19 3.399 -10.512 4.208 1.00 0.00 O ATOM 0 H SER A 19 3.323 -12.192 3.098 1.00 0.00 H new ATOM 0 HA SER A 19 4.116 -13.119 5.613 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.050 -11.034 5.670 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.722 -10.962 6.189 1.00 0.00 H new ATOM 0 HG SER A 19 4.346 -10.263 4.236 1.00 0.00 H new ATOM 201 N PRO A 20 1.944 -13.622 7.033 1.00 0.00 N ATOM 202 CA PRO A 20 0.841 -14.314 7.711 1.00 0.00 C ATOM 203 C PRO A 20 -0.512 -13.679 7.412 1.00 0.00 C ATOM 204 O PRO A 20 -0.608 -12.741 6.620 1.00 0.00 O ATOM 205 CB PRO A 20 1.180 -14.177 9.201 1.00 0.00 C ATOM 206 CG PRO A 20 2.157 -13.055 9.279 1.00 0.00 C ATOM 207 CD PRO A 20 2.926 -13.087 7.990 1.00 0.00 C ATOM 0 HA PRO A 20 0.751 -15.348 7.379 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.288 -13.964 9.790 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.608 -15.099 9.594 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.646 -12.100 9.405 1.00 0.00 H new ATOM 0 HG3 PRO A 20 2.823 -13.176 10.134 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.272 -12.094 7.701 1.00 0.00 H new ATOM 0 HD3 PRO A 20 3.808 -13.723 8.062 1.00 0.00 H new ATOM 212 N ARG A 21 -1.557 -14.200 8.046 1.00 0.00 N ATOM 213 CA ARG A 21 -2.908 -13.689 7.848 1.00 0.00 C ATOM 214 C ARG A 21 -3.344 -13.855 6.391 1.00 0.00 C ATOM 215 O ARG A 21 -3.886 -14.896 6.019 1.00 0.00 O ATOM 216 CB ARG A 21 -2.990 -12.219 8.272 1.00 0.00 C ATOM 217 CG ARG A 21 -2.889 -12.012 9.775 1.00 0.00 C ATOM 218 CD ARG A 21 -4.134 -12.507 10.494 1.00 0.00 C ATOM 219 NE ARG A 21 -5.207 -11.515 10.479 1.00 0.00 N ATOM 220 CZ ARG A 21 -6.142 -11.439 9.532 1.00 0.00 C ATOM 221 NH1 ARG A 21 -6.140 -12.292 8.515 1.00 0.00 N ATOM 222 NH2 ARG A 21 -7.080 -10.506 9.604 1.00 0.00 N ATOM 0 H ARG A 21 -1.494 -14.978 8.703 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.588 -14.268 8.472 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.190 -11.663 7.783 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.932 -11.800 7.918 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.014 -12.538 10.157 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.742 -10.953 9.988 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.483 -13.426 10.023 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.883 -12.753 11.526 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.243 -10.838 11.241 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.420 -13.012 8.454 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.859 -12.228 7.794 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.086 -9.848 10.383 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.796 -10.446 8.880 1.00 0.00 H new ATOM 233 N GLU A 22 -3.103 -12.831 5.568 1.00 0.00 N ATOM 234 CA GLU A 22 -3.472 -12.874 4.153 1.00 0.00 C ATOM 235 C GLU A 22 -3.399 -11.484 3.529 1.00 0.00 C ATOM 236 O GLU A 22 -3.160 -10.493 4.218 1.00 0.00 O ATOM 237 CB GLU A 22 -4.884 -13.448 3.976 1.00 0.00 C ATOM 238 CG GLU A 22 -4.899 -14.881 3.471 1.00 0.00 C ATOM 239 CD GLU A 22 -6.090 -15.666 3.982 1.00 0.00 C ATOM 240 OE1 GLU A 22 -6.649 -15.282 5.031 1.00 0.00 O ATOM 241 OE2 GLU A 22 -6.465 -16.666 3.332 1.00 0.00 O ATOM 0 H GLU A 22 -2.654 -11.963 5.858 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.760 -13.524 3.645 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.408 -13.403 4.931 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.438 -12.820 3.278 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.911 -14.878 2.381 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.980 -15.380 3.778 1.00 0.00 H new ATOM 246 N VAL A 23 -3.615 -11.421 2.218 1.00 0.00 N ATOM 247 CA VAL A 23 -3.584 -10.157 1.494 1.00 0.00 C ATOM 248 C VAL A 23 -3.908 -10.375 0.009 1.00 0.00 C ATOM 249 O VAL A 23 -5.078 -10.376 -0.374 1.00 0.00 O ATOM 250 CB VAL A 23 -2.222 -9.438 1.672 1.00 0.00 C ATOM 251 CG1 VAL A 23 -1.069 -10.431 1.628 1.00 0.00 C ATOM 252 CG2 VAL A 23 -2.035 -8.337 0.633 1.00 0.00 C ATOM 0 H VAL A 23 -3.814 -12.234 1.635 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.352 -9.509 1.916 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.224 -8.968 2.655 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.126 -9.899 1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.186 -11.160 2.430 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.069 -10.946 0.667 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.070 -7.853 0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.069 -8.770 -0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.831 -7.600 0.737 1.00 0.00 H new ATOM 262 N THR A 24 -2.877 -10.571 -0.820 1.00 0.00 N ATOM 263 CA THR A 24 -3.065 -10.799 -2.256 1.00 0.00 C ATOM 264 C THR A 24 -4.169 -9.916 -2.834 1.00 0.00 C ATOM 265 O THR A 24 -5.307 -10.357 -2.997 1.00 0.00 O ATOM 266 CB THR A 24 -3.382 -12.271 -2.519 1.00 0.00 C ATOM 267 OG1 THR A 24 -3.787 -12.466 -3.862 1.00 0.00 O ATOM 268 CG2 THR A 24 -4.478 -12.816 -1.626 1.00 0.00 C ATOM 0 H THR A 24 -1.902 -10.576 -0.520 1.00 0.00 H new ATOM 0 HA THR A 24 -2.133 -10.532 -2.754 1.00 0.00 H new ATOM 0 HB THR A 24 -2.458 -12.808 -2.304 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.984 -13.415 -4.010 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.654 -13.865 -1.864 1.00 0.00 H new ATOM 0 HG22 THR A 24 -4.175 -12.727 -0.583 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.395 -12.249 -1.788 1.00 0.00 H new ATOM 276 N MET A 25 -3.828 -8.668 -3.142 1.00 0.00 N ATOM 277 CA MET A 25 -4.794 -7.728 -3.701 1.00 0.00 C ATOM 278 C MET A 25 -4.677 -7.648 -5.224 1.00 0.00 C ATOM 279 O MET A 25 -5.644 -7.324 -5.912 1.00 0.00 O ATOM 280 CB MET A 25 -4.609 -6.337 -3.088 1.00 0.00 C ATOM 281 CG MET A 25 -3.158 -5.896 -2.995 1.00 0.00 C ATOM 282 SD MET A 25 -2.545 -5.865 -1.300 1.00 0.00 S ATOM 283 CE MET A 25 -0.787 -5.661 -1.579 1.00 0.00 C ATOM 0 H MET A 25 -2.891 -8.285 -3.014 1.00 0.00 H new ATOM 0 HA MET A 25 -5.790 -8.095 -3.455 1.00 0.00 H new ATOM 0 HB2 MET A 25 -5.162 -5.611 -3.684 1.00 0.00 H new ATOM 0 HB3 MET A 25 -5.046 -6.329 -2.090 1.00 0.00 H new ATOM 0 HG2 MET A 25 -2.539 -6.570 -3.588 1.00 0.00 H new ATOM 0 HG3 MET A 25 -3.056 -4.902 -3.432 1.00 0.00 H new ATOM 0 HE1 MET A 25 -0.261 -6.561 -1.260 1.00 0.00 H new ATOM 0 HE2 MET A 25 -0.604 -5.490 -2.640 1.00 0.00 H new ATOM 0 HE3 MET A 25 -0.424 -4.807 -1.007 1.00 0.00 H new ATOM 291 N LYS A 26 -3.491 -7.950 -5.741 1.00 0.00 N ATOM 292 CA LYS A 26 -3.250 -7.916 -7.180 1.00 0.00 C ATOM 293 C LYS A 26 -3.451 -6.510 -7.741 1.00 0.00 C ATOM 294 O LYS A 26 -4.223 -5.719 -7.199 1.00 0.00 O ATOM 295 CB LYS A 26 -4.175 -8.905 -7.895 1.00 0.00 C ATOM 296 CG LYS A 26 -3.445 -10.098 -8.489 1.00 0.00 C ATOM 297 CD LYS A 26 -2.811 -9.754 -9.827 1.00 0.00 C ATOM 298 CE LYS A 26 -3.653 -10.258 -10.988 1.00 0.00 C ATOM 299 NZ LYS A 26 -3.147 -9.762 -12.297 1.00 0.00 N ATOM 0 H LYS A 26 -2.680 -8.221 -5.185 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.214 -8.205 -7.355 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -4.926 -9.263 -7.190 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.707 -8.383 -8.690 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.674 -10.436 -7.796 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.143 -10.925 -8.618 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.689 -8.674 -9.906 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.814 -10.192 -9.882 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.655 -11.348 -10.989 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.686 -9.938 -10.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.748 -10.128 -13.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.169 -8.722 -12.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.170 -10.089 -12.438 1.00 0.00 H new ATOM 309 N LYS A 27 -2.753 -6.211 -8.834 1.00 0.00 N ATOM 310 CA LYS A 27 -2.854 -4.905 -9.478 1.00 0.00 C ATOM 311 C LYS A 27 -2.351 -3.796 -8.558 1.00 0.00 C ATOM 312 O LYS A 27 -2.323 -3.952 -7.338 1.00 0.00 O ATOM 313 CB LYS A 27 -4.303 -4.623 -9.886 1.00 0.00 C ATOM 314 CG LYS A 27 -5.001 -5.813 -10.524 1.00 0.00 C ATOM 315 CD LYS A 27 -6.453 -5.500 -10.845 1.00 0.00 C ATOM 316 CE LYS A 27 -7.308 -5.472 -9.589 1.00 0.00 C ATOM 317 NZ LYS A 27 -8.570 -4.711 -9.793 1.00 0.00 N ATOM 0 H LYS A 27 -2.110 -6.857 -9.292 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.227 -4.923 -10.369 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.865 -4.313 -9.005 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.318 -3.787 -10.585 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.478 -6.096 -11.438 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.952 -6.669 -9.851 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.515 -4.536 -11.350 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.843 -6.248 -11.535 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.544 -6.493 -9.288 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.741 -5.023 -8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.305 -5.081 -9.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.406 -3.705 -9.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.882 -4.815 -10.780 1.00 0.00 H new ATOM 327 N GLY A 28 -1.956 -2.675 -9.156 1.00 0.00 N ATOM 328 CA GLY A 28 -1.460 -1.552 -8.380 1.00 0.00 C ATOM 329 C GLY A 28 -2.516 -0.486 -8.168 1.00 0.00 C ATOM 330 O GLY A 28 -2.210 0.704 -8.152 1.00 0.00 O ATOM 0 H GLY A 28 -1.971 -2.525 -10.165 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.109 -1.909 -7.412 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.601 -1.113 -8.888 1.00 0.00 H new ATOM 334 N ASP A 29 -3.763 -0.915 -8.007 1.00 0.00 N ATOM 335 CA ASP A 29 -4.868 0.013 -7.794 1.00 0.00 C ATOM 336 C ASP A 29 -4.647 0.836 -6.529 1.00 0.00 C ATOM 337 O ASP A 29 -3.715 0.580 -5.767 1.00 0.00 O ATOM 338 CB ASP A 29 -6.190 -0.748 -7.697 1.00 0.00 C ATOM 339 CG ASP A 29 -6.618 -1.338 -9.027 1.00 0.00 C ATOM 340 OD1 ASP A 29 -6.601 -0.602 -10.035 1.00 0.00 O ATOM 341 OD2 ASP A 29 -6.970 -2.537 -9.059 1.00 0.00 O ATOM 0 H ASP A 29 -4.034 -1.898 -8.020 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.911 0.691 -8.646 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.092 -1.548 -6.963 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.967 -0.075 -7.334 1.00 0.00 H new ATOM 345 N ILE A 30 -5.509 1.823 -6.310 1.00 0.00 N ATOM 346 CA ILE A 30 -5.402 2.679 -5.135 1.00 0.00 C ATOM 347 C ILE A 30 -6.137 2.071 -3.945 1.00 0.00 C ATOM 348 O ILE A 30 -6.899 1.115 -4.096 1.00 0.00 O ATOM 349 CB ILE A 30 -5.959 4.089 -5.404 1.00 0.00 C ATOM 350 CG1 ILE A 30 -5.488 4.601 -6.767 1.00 0.00 C ATOM 351 CG2 ILE A 30 -5.532 5.043 -4.297 1.00 0.00 C ATOM 352 CD1 ILE A 30 -3.992 4.818 -6.847 1.00 0.00 C ATOM 0 H ILE A 30 -6.287 2.049 -6.929 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.340 2.760 -4.903 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.048 4.037 -5.417 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.785 3.888 -7.536 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.996 5.540 -6.989 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.932 6.037 -4.499 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.914 4.685 -3.341 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.444 5.091 -4.258 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.730 5.181 -7.841 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.691 5.553 -6.101 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.477 3.876 -6.657 1.00 0.00 H new ATOM 363 N LEU A 31 -5.893 2.623 -2.762 1.00 0.00 N ATOM 364 CA LEU A 31 -6.521 2.130 -1.543 1.00 0.00 C ATOM 365 C LEU A 31 -6.523 3.209 -0.454 1.00 0.00 C ATOM 366 O LEU A 31 -7.424 4.045 -0.408 1.00 0.00 O ATOM 367 CB LEU A 31 -5.810 0.856 -1.056 1.00 0.00 C ATOM 368 CG LEU A 31 -4.448 0.564 -1.708 1.00 0.00 C ATOM 369 CD1 LEU A 31 -3.550 1.799 -1.701 1.00 0.00 C ATOM 370 CD2 LEU A 31 -3.762 -0.600 -1.004 1.00 0.00 C ATOM 0 H LEU A 31 -5.264 3.413 -2.622 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.559 1.881 -1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.668 0.930 0.022 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.467 0.005 -1.233 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.626 0.290 -2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.596 1.558 -2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.033 2.603 -2.256 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.379 2.119 -0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.799 -0.795 -1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.607 -0.350 0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.388 -1.489 -1.077 1.00 0.00 H new ATOM 381 N THR A 32 -5.512 3.190 0.421 1.00 0.00 N ATOM 382 CA THR A 32 -5.402 4.168 1.500 1.00 0.00 C ATOM 383 C THR A 32 -4.144 3.900 2.329 1.00 0.00 C ATOM 384 O THR A 32 -3.181 3.319 1.831 1.00 0.00 O ATOM 385 CB THR A 32 -6.654 4.127 2.388 1.00 0.00 C ATOM 386 OG1 THR A 32 -6.784 5.329 3.126 1.00 0.00 O ATOM 387 CG2 THR A 32 -6.661 2.980 3.378 1.00 0.00 C ATOM 0 H THR A 32 -4.757 2.504 0.400 1.00 0.00 H new ATOM 0 HA THR A 32 -5.324 5.164 1.064 1.00 0.00 H new ATOM 0 HB THR A 32 -7.486 3.990 1.698 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.588 5.285 3.684 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.575 3.016 3.970 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.615 2.034 2.839 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.798 3.064 4.038 1.00 0.00 H new ATOM 395 N LEU A 33 -4.156 4.319 3.592 1.00 0.00 N ATOM 396 CA LEU A 33 -3.011 4.109 4.471 1.00 0.00 C ATOM 397 C LEU A 33 -3.360 4.445 5.917 1.00 0.00 C ATOM 398 O LEU A 33 -3.645 5.597 6.248 1.00 0.00 O ATOM 399 CB LEU A 33 -1.817 4.952 4.010 1.00 0.00 C ATOM 400 CG LEU A 33 -2.173 6.219 3.232 1.00 0.00 C ATOM 401 CD1 LEU A 33 -2.998 7.163 4.094 1.00 0.00 C ATOM 402 CD2 LEU A 33 -0.910 6.909 2.742 1.00 0.00 C ATOM 0 H LEU A 33 -4.941 4.803 4.027 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.740 3.054 4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.234 5.235 4.886 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.174 4.331 3.386 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.772 5.937 2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.241 8.059 3.522 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.919 6.666 4.399 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.426 7.442 4.979 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.178 7.810 2.190 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.288 7.179 3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.357 6.234 2.089 1.00 0.00 H new ATOM 413 N LEU A 34 -3.333 3.430 6.775 1.00 0.00 N ATOM 414 CA LEU A 34 -3.643 3.615 8.188 1.00 0.00 C ATOM 415 C LEU A 34 -2.684 4.615 8.824 1.00 0.00 C ATOM 416 O LEU A 34 -1.512 4.312 9.045 1.00 0.00 O ATOM 417 CB LEU A 34 -3.570 2.276 8.926 1.00 0.00 C ATOM 418 CG LEU A 34 -4.429 2.182 10.188 1.00 0.00 C ATOM 419 CD1 LEU A 34 -3.867 3.074 11.283 1.00 0.00 C ATOM 420 CD2 LEU A 34 -5.871 2.554 9.880 1.00 0.00 C ATOM 0 H LEU A 34 -3.100 2.471 6.516 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.656 4.009 8.267 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.872 1.484 8.240 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.532 2.085 9.197 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.410 1.151 10.543 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.491 2.994 12.173 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.851 2.760 11.523 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.855 4.108 10.939 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.468 2.482 10.789 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.910 3.575 9.501 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.270 1.872 9.129 1.00 0.00 H new ATOM 431 N ASN A 35 -3.189 5.810 9.113 1.00 0.00 N ATOM 432 CA ASN A 35 -2.376 6.857 9.721 1.00 0.00 C ATOM 433 C ASN A 35 -1.282 7.314 8.761 1.00 0.00 C ATOM 434 O ASN A 35 -1.306 6.986 7.575 1.00 0.00 O ATOM 435 CB ASN A 35 -1.754 6.362 11.030 1.00 0.00 C ATOM 436 CG ASN A 35 -1.771 7.420 12.114 1.00 0.00 C ATOM 437 OD1 ASN A 35 -2.391 8.473 11.962 1.00 0.00 O ATOM 438 ND2 ASN A 35 -1.087 7.145 13.220 1.00 0.00 N ATOM 0 H ASN A 35 -4.157 6.077 8.936 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.024 7.706 9.940 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.296 5.482 11.377 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.726 6.051 10.846 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.062 7.819 13.985 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -0.587 6.260 13.304 1.00 0.00 H new ATOM 444 N SER A 36 -0.319 8.074 9.281 1.00 0.00 N ATOM 445 CA SER A 36 0.786 8.577 8.469 1.00 0.00 C ATOM 446 C SER A 36 1.619 7.427 7.915 1.00 0.00 C ATOM 447 O SER A 36 1.454 6.275 8.318 1.00 0.00 O ATOM 448 CB SER A 36 1.670 9.510 9.295 1.00 0.00 C ATOM 449 OG SER A 36 1.148 10.827 9.311 1.00 0.00 O ATOM 0 H SER A 36 -0.283 8.354 10.261 1.00 0.00 H new ATOM 0 HA SER A 36 0.365 9.134 7.632 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.747 9.134 10.315 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.679 9.520 8.882 1.00 0.00 H new ATOM 0 HG SER A 36 1.731 11.404 9.848 1.00 0.00 H new ATOM 454 N THR A 37 2.521 7.748 6.989 1.00 0.00 N ATOM 455 CA THR A 37 3.386 6.743 6.377 1.00 0.00 C ATOM 456 C THR A 37 4.820 6.885 6.875 1.00 0.00 C ATOM 457 O THR A 37 5.452 5.903 7.263 1.00 0.00 O ATOM 458 CB THR A 37 3.347 6.863 4.852 1.00 0.00 C ATOM 459 OG1 THR A 37 4.118 5.840 4.249 1.00 0.00 O ATOM 460 CG2 THR A 37 3.868 8.190 4.341 1.00 0.00 C ATOM 0 H THR A 37 2.671 8.697 6.646 1.00 0.00 H new ATOM 0 HA THR A 37 3.016 5.759 6.664 1.00 0.00 H new ATOM 0 HB THR A 37 2.294 6.776 4.583 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.079 5.933 3.274 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.812 8.208 3.253 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.263 9.000 4.749 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.904 8.319 4.653 1.00 0.00 H new ATOM 468 N ASN A 38 5.326 8.117 6.864 1.00 0.00 N ATOM 469 CA ASN A 38 6.685 8.395 7.315 1.00 0.00 C ATOM 470 C ASN A 38 7.714 7.724 6.409 1.00 0.00 C ATOM 471 O ASN A 38 8.388 8.388 5.621 1.00 0.00 O ATOM 472 CB ASN A 38 6.874 7.930 8.761 1.00 0.00 C ATOM 473 CG ASN A 38 8.243 8.282 9.309 1.00 0.00 C ATOM 474 OD1 ASN A 38 8.889 9.220 8.840 1.00 0.00 O ATOM 475 ND2 ASN A 38 8.693 7.530 10.306 1.00 0.00 N ATOM 0 H ASN A 38 4.812 8.939 6.547 1.00 0.00 H new ATOM 0 HA ASN A 38 6.840 9.473 7.267 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.107 8.384 9.389 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.731 6.851 8.814 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.608 7.719 10.715 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.124 6.763 10.663 1.00 0.00 H new ATOM 481 N LYS A 39 7.833 6.404 6.525 1.00 0.00 N ATOM 482 CA LYS A 39 8.780 5.647 5.717 1.00 0.00 C ATOM 483 C LYS A 39 8.654 4.152 5.990 1.00 0.00 C ATOM 484 O LYS A 39 9.652 3.433 6.038 1.00 0.00 O ATOM 485 CB LYS A 39 10.211 6.112 6.001 1.00 0.00 C ATOM 486 CG LYS A 39 10.525 6.240 7.483 1.00 0.00 C ATOM 487 CD LYS A 39 11.464 5.141 7.954 1.00 0.00 C ATOM 488 CE LYS A 39 11.385 4.947 9.460 1.00 0.00 C ATOM 489 NZ LYS A 39 10.529 3.784 9.824 1.00 0.00 N ATOM 0 H LYS A 39 7.284 5.838 7.172 1.00 0.00 H new ATOM 0 HA LYS A 39 8.549 5.827 4.667 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.910 5.408 5.549 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.374 7.076 5.519 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.977 7.213 7.677 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.599 6.198 8.056 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.213 4.207 7.452 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.487 5.389 7.671 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.388 4.799 9.861 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.987 5.850 9.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.817 4.082 10.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.051 3.425 8.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.120 3.032 10.233 1.00 0.00 H new ATOM 499 N ASP A 40 7.421 3.691 6.168 1.00 0.00 N ATOM 500 CA ASP A 40 7.164 2.280 6.437 1.00 0.00 C ATOM 501 C ASP A 40 6.100 1.729 5.493 1.00 0.00 C ATOM 502 O ASP A 40 5.252 2.468 4.995 1.00 0.00 O ATOM 503 CB ASP A 40 6.721 2.089 7.889 1.00 0.00 C ATOM 504 CG ASP A 40 7.888 1.825 8.820 1.00 0.00 C ATOM 505 OD1 ASP A 40 9.034 2.149 8.443 1.00 0.00 O ATOM 506 OD2 ASP A 40 7.657 1.294 9.927 1.00 0.00 O ATOM 0 H ASP A 40 6.584 4.273 6.131 1.00 0.00 H new ATOM 0 HA ASP A 40 8.091 1.731 6.270 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.187 2.979 8.223 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.019 1.257 7.945 1.00 0.00 H new ATOM 510 N TRP A 41 6.154 0.423 5.250 1.00 0.00 N ATOM 511 CA TRP A 41 5.199 -0.233 4.367 1.00 0.00 C ATOM 512 C TRP A 41 3.769 -0.029 4.864 1.00 0.00 C ATOM 513 O TRP A 41 2.880 0.342 4.098 1.00 0.00 O ATOM 514 CB TRP A 41 5.516 -1.730 4.257 1.00 0.00 C ATOM 515 CG TRP A 41 5.135 -2.516 5.478 1.00 0.00 C ATOM 516 CD1 TRP A 41 3.978 -3.212 5.672 1.00 0.00 C ATOM 517 CD2 TRP A 41 5.910 -2.679 6.672 1.00 0.00 C ATOM 518 NE1 TRP A 41 3.984 -3.798 6.914 1.00 0.00 N ATOM 519 CE2 TRP A 41 5.159 -3.485 7.548 1.00 0.00 C ATOM 520 CE3 TRP A 41 7.164 -2.222 7.087 1.00 0.00 C ATOM 521 CZ2 TRP A 41 5.621 -3.844 8.811 1.00 0.00 C ATOM 522 CZ3 TRP A 41 7.622 -2.579 8.341 1.00 0.00 C ATOM 523 CH2 TRP A 41 6.852 -3.383 9.190 1.00 0.00 C ATOM 0 H TRP A 41 6.851 -0.202 5.654 1.00 0.00 H new ATOM 0 HA TRP A 41 5.284 0.218 3.378 1.00 0.00 H new ATOM 0 HB2 TRP A 41 4.994 -2.141 3.393 1.00 0.00 H new ATOM 0 HB3 TRP A 41 6.583 -1.854 4.073 1.00 0.00 H new ATOM 0 HD1 TRP A 41 3.175 -3.291 4.954 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.236 -4.373 7.302 1.00 0.00 H new ATOM 0 HE3 TRP A 41 7.764 -1.601 6.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 5.029 -4.464 9.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 8.590 -2.232 8.672 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.238 -3.645 10.164 1.00 0.00 H new ATOM 533 N TRP A 42 3.557 -0.275 6.155 1.00 0.00 N ATOM 534 CA TRP A 42 2.240 -0.119 6.762 1.00 0.00 C ATOM 535 C TRP A 42 1.225 -1.063 6.125 1.00 0.00 C ATOM 536 O TRP A 42 1.222 -1.264 4.910 1.00 0.00 O ATOM 537 CB TRP A 42 1.766 1.329 6.635 1.00 0.00 C ATOM 538 CG TRP A 42 2.555 2.280 7.481 1.00 0.00 C ATOM 539 CD1 TRP A 42 3.340 3.309 7.048 1.00 0.00 C ATOM 540 CD2 TRP A 42 2.642 2.284 8.911 1.00 0.00 C ATOM 541 NE1 TRP A 42 3.909 3.953 8.120 1.00 0.00 N ATOM 542 CE2 TRP A 42 3.495 3.342 9.275 1.00 0.00 C ATOM 543 CE3 TRP A 42 2.081 1.494 9.919 1.00 0.00 C ATOM 544 CZ2 TRP A 42 3.799 3.632 10.602 1.00 0.00 C ATOM 545 CZ3 TRP A 42 2.382 1.783 11.237 1.00 0.00 C ATOM 546 CH2 TRP A 42 3.234 2.844 11.568 1.00 0.00 C ATOM 0 H TRP A 42 4.283 -0.584 6.801 1.00 0.00 H new ATOM 0 HA TRP A 42 2.323 -0.374 7.818 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.834 1.637 5.592 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.715 1.387 6.917 1.00 0.00 H new ATOM 0 HD1 TRP A 42 3.492 3.578 6.013 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.537 4.755 8.065 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.424 0.673 9.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.457 4.449 10.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.953 1.181 12.024 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.450 3.045 12.607 1.00 0.00 H new ATOM 556 N LYS A 43 0.365 -1.644 6.956 1.00 0.00 N ATOM 557 CA LYS A 43 -0.656 -2.571 6.481 1.00 0.00 C ATOM 558 C LYS A 43 -1.541 -1.926 5.416 1.00 0.00 C ATOM 559 O LYS A 43 -2.172 -2.621 4.622 1.00 0.00 O ATOM 560 CB LYS A 43 -1.517 -3.059 7.648 1.00 0.00 C ATOM 561 CG LYS A 43 -2.020 -1.937 8.544 1.00 0.00 C ATOM 562 CD LYS A 43 -1.844 -2.273 10.016 1.00 0.00 C ATOM 563 CE LYS A 43 -0.396 -2.121 10.453 1.00 0.00 C ATOM 564 NZ LYS A 43 -0.277 -1.899 11.921 1.00 0.00 N ATOM 0 H LYS A 43 0.355 -1.488 7.964 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.147 -3.423 6.030 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.372 -3.608 7.253 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.937 -3.760 8.248 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.482 -1.018 8.313 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.074 -1.750 8.337 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.477 -1.621 10.617 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.175 -3.295 10.199 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.162 -3.015 10.175 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.057 -1.284 9.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.726 -1.801 12.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.788 -1.032 12.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.686 -2.709 12.429 1.00 0.00 H new ATOM 574 N VAL A 44 -1.585 -0.596 5.407 1.00 0.00 N ATOM 575 CA VAL A 44 -2.396 0.136 4.439 1.00 0.00 C ATOM 576 C VAL A 44 -3.880 -0.180 4.613 1.00 0.00 C ATOM 577 O VAL A 44 -4.629 0.612 5.186 1.00 0.00 O ATOM 578 CB VAL A 44 -1.964 -0.182 2.989 1.00 0.00 C ATOM 579 CG1 VAL A 44 -2.977 0.350 1.983 1.00 0.00 C ATOM 580 CG2 VAL A 44 -0.584 0.395 2.710 1.00 0.00 C ATOM 0 H VAL A 44 -1.069 -0.004 6.058 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.237 1.198 4.626 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.921 -1.266 2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.646 0.111 0.972 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.948 -0.111 2.165 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.063 1.431 2.091 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.293 0.163 1.685 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.608 1.476 2.845 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.139 -0.041 3.400 1.00 0.00 H new ATOM 590 N GLU A 45 -4.299 -1.342 4.116 1.00 0.00 N ATOM 591 CA GLU A 45 -5.694 -1.764 4.216 1.00 0.00 C ATOM 592 C GLU A 45 -6.581 -0.947 3.285 1.00 0.00 C ATOM 593 O GLU A 45 -6.199 0.134 2.837 1.00 0.00 O ATOM 594 CB GLU A 45 -6.195 -1.638 5.657 1.00 0.00 C ATOM 595 CG GLU A 45 -5.222 -2.181 6.691 1.00 0.00 C ATOM 596 CD GLU A 45 -5.552 -1.724 8.099 1.00 0.00 C ATOM 597 OE1 GLU A 45 -6.078 -0.602 8.251 1.00 0.00 O ATOM 598 OE2 GLU A 45 -5.282 -2.488 9.049 1.00 0.00 O ATOM 0 H GLU A 45 -3.691 -2.009 3.640 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.746 -2.810 3.914 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.393 -0.588 5.873 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.143 -2.167 5.750 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.230 -3.270 6.655 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.211 -1.861 6.437 1.00 0.00 H new ATOM 603 N VAL A 46 -7.769 -1.469 2.999 1.00 0.00 N ATOM 604 CA VAL A 46 -8.711 -0.785 2.122 1.00 0.00 C ATOM 605 C VAL A 46 -10.048 -1.524 2.064 1.00 0.00 C ATOM 606 O VAL A 46 -11.108 -0.913 2.203 1.00 0.00 O ATOM 607 CB VAL A 46 -8.148 -0.636 0.694 1.00 0.00 C ATOM 608 CG1 VAL A 46 -7.888 -1.997 0.070 1.00 0.00 C ATOM 609 CG2 VAL A 46 -9.092 0.187 -0.172 1.00 0.00 C ATOM 0 H VAL A 46 -8.102 -2.362 3.361 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.870 0.208 2.542 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.196 -0.108 0.756 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.491 -1.866 -0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.166 -2.543 0.676 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.820 -2.559 0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.677 0.281 -1.175 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.062 -0.308 -0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.214 1.179 0.264 1.00 0.00 H new ATOM 619 N ASN A 47 -9.989 -2.839 1.863 1.00 0.00 N ATOM 620 CA ASN A 47 -11.198 -3.660 1.790 1.00 0.00 C ATOM 621 C ASN A 47 -10.874 -5.070 1.309 1.00 0.00 C ATOM 622 O ASN A 47 -9.943 -5.274 0.529 1.00 0.00 O ATOM 623 CB ASN A 47 -12.232 -3.021 0.855 1.00 0.00 C ATOM 624 CG ASN A 47 -11.609 -2.488 -0.421 1.00 0.00 C ATOM 625 OD1 ASN A 47 -11.515 -1.276 -0.619 1.00 0.00 O ATOM 626 ND2 ASN A 47 -11.182 -3.391 -1.296 1.00 0.00 N ATOM 0 H ASN A 47 -9.119 -3.359 1.748 1.00 0.00 H new ATOM 0 HA ASN A 47 -11.616 -3.721 2.795 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -12.994 -3.758 0.603 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -12.736 -2.208 1.377 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -10.756 -3.090 -2.173 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.280 -4.385 -1.091 1.00 0.00 H new ATOM 632 N ASP A 48 -11.652 -6.040 1.779 1.00 0.00 N ATOM 633 CA ASP A 48 -11.460 -7.436 1.398 1.00 0.00 C ATOM 634 C ASP A 48 -10.036 -7.901 1.690 1.00 0.00 C ATOM 635 O ASP A 48 -9.534 -8.828 1.055 1.00 0.00 O ATOM 636 CB ASP A 48 -11.773 -7.627 -0.087 1.00 0.00 C ATOM 637 CG ASP A 48 -13.254 -7.510 -0.386 1.00 0.00 C ATOM 638 OD1 ASP A 48 -14.038 -8.305 0.175 1.00 0.00 O ATOM 639 OD2 ASP A 48 -13.632 -6.621 -1.179 1.00 0.00 O ATOM 0 H ASP A 48 -12.424 -5.884 2.427 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.145 -8.040 1.993 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.228 -6.884 -0.669 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.417 -8.606 -0.407 1.00 0.00 H new ATOM 643 N ARG A 49 -9.388 -7.256 2.656 1.00 0.00 N ATOM 644 CA ARG A 49 -8.024 -7.611 3.028 1.00 0.00 C ATOM 645 C ARG A 49 -7.645 -6.983 4.367 1.00 0.00 C ATOM 646 O ARG A 49 -7.707 -7.637 5.410 1.00 0.00 O ATOM 647 CB ARG A 49 -7.043 -7.165 1.937 1.00 0.00 C ATOM 648 CG ARG A 49 -6.417 -8.319 1.173 1.00 0.00 C ATOM 649 CD ARG A 49 -7.108 -8.549 -0.162 1.00 0.00 C ATOM 650 NE ARG A 49 -7.607 -9.916 -0.291 1.00 0.00 N ATOM 651 CZ ARG A 49 -7.923 -10.483 -1.453 1.00 0.00 C ATOM 652 NH1 ARG A 49 -7.800 -9.803 -2.586 1.00 0.00 N ATOM 653 NH2 ARG A 49 -8.366 -11.732 -1.482 1.00 0.00 N ATOM 0 H ARG A 49 -9.786 -6.486 3.194 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.969 -8.695 3.131 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.565 -6.516 1.234 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.251 -6.570 2.393 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.360 -8.114 1.005 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.474 -9.227 1.774 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.937 -7.849 -0.267 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.410 -8.340 -0.973 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.720 -10.468 0.559 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.462 -8.841 -2.569 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.044 -10.243 -3.474 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.465 -12.258 -0.614 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.608 -12.167 -2.372 1.00 0.00 H new ATOM 664 N GLN A 50 -7.259 -5.710 4.335 1.00 0.00 N ATOM 665 CA GLN A 50 -6.875 -4.992 5.546 1.00 0.00 C ATOM 666 C GLN A 50 -5.819 -5.757 6.337 1.00 0.00 C ATOM 667 O GLN A 50 -6.147 -6.621 7.151 1.00 0.00 O ATOM 668 CB GLN A 50 -8.102 -4.741 6.423 1.00 0.00 C ATOM 669 CG GLN A 50 -7.820 -3.855 7.625 1.00 0.00 C ATOM 670 CD GLN A 50 -8.601 -4.273 8.855 1.00 0.00 C ATOM 671 OE1 GLN A 50 -8.043 -4.403 9.945 1.00 0.00 O ATOM 672 NE2 GLN A 50 -9.901 -4.486 8.687 1.00 0.00 N ATOM 0 H GLN A 50 -7.204 -5.154 3.482 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.445 -4.037 5.244 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.883 -4.280 5.818 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.491 -5.698 6.771 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.754 -3.883 7.850 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.067 -2.823 7.376 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -10.323 -4.367 7.766 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -10.478 -4.769 9.479 1.00 0.00 H new ATOM 679 N GLY A 51 -4.549 -5.430 6.099 1.00 0.00 N ATOM 680 CA GLY A 51 -3.466 -6.095 6.807 1.00 0.00 C ATOM 681 C GLY A 51 -2.335 -6.527 5.894 1.00 0.00 C ATOM 682 O GLY A 51 -2.559 -7.207 4.893 1.00 0.00 O ATOM 0 H GLY A 51 -4.252 -4.719 5.431 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.073 -5.423 7.570 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.861 -6.969 7.325 1.00 0.00 H new ATOM 686 N PHE A 52 -1.115 -6.139 6.254 1.00 0.00 N ATOM 687 CA PHE A 52 0.069 -6.494 5.476 1.00 0.00 C ATOM 688 C PHE A 52 -0.002 -5.943 4.056 1.00 0.00 C ATOM 689 O PHE A 52 -0.819 -6.383 3.245 1.00 0.00 O ATOM 690 CB PHE A 52 0.240 -8.013 5.442 1.00 0.00 C ATOM 691 CG PHE A 52 0.467 -8.621 6.798 1.00 0.00 C ATOM 692 CD1 PHE A 52 1.293 -8.001 7.720 1.00 0.00 C ATOM 693 CD2 PHE A 52 -0.150 -9.812 7.150 1.00 0.00 C ATOM 694 CE1 PHE A 52 1.504 -8.556 8.969 1.00 0.00 C ATOM 695 CE2 PHE A 52 0.056 -10.372 8.398 1.00 0.00 C ATOM 696 CZ PHE A 52 0.883 -9.743 9.307 1.00 0.00 C ATOM 0 H PHE A 52 -0.920 -5.577 7.082 1.00 0.00 H new ATOM 0 HA PHE A 52 0.933 -6.043 5.964 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.648 -8.461 4.996 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.082 -8.262 4.795 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.779 -7.072 7.461 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.798 -10.308 6.442 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.152 -8.063 9.678 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.430 -11.300 8.661 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.044 -10.179 10.282 1.00 0.00 H new ATOM 705 N VAL A 53 0.870 -4.984 3.762 1.00 0.00 N ATOM 706 CA VAL A 53 0.931 -4.366 2.441 1.00 0.00 C ATOM 707 C VAL A 53 2.307 -3.739 2.212 1.00 0.00 C ATOM 708 O VAL A 53 2.532 -2.577 2.550 1.00 0.00 O ATOM 709 CB VAL A 53 -0.161 -3.286 2.267 1.00 0.00 C ATOM 710 CG1 VAL A 53 0.031 -2.521 0.965 1.00 0.00 C ATOM 711 CG2 VAL A 53 -1.545 -3.915 2.317 1.00 0.00 C ATOM 0 H VAL A 53 1.550 -4.615 4.427 1.00 0.00 H new ATOM 0 HA VAL A 53 0.758 -5.151 1.705 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.071 -2.578 3.091 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.750 -1.767 0.867 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.006 -2.034 0.969 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.025 -3.213 0.125 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.302 -3.140 2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.641 -4.648 1.516 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.686 -4.409 3.279 1.00 0.00 H new ATOM 721 N PRO A 54 3.252 -4.508 1.638 1.00 0.00 N ATOM 722 CA PRO A 54 4.614 -4.029 1.373 1.00 0.00 C ATOM 723 C PRO A 54 4.634 -2.813 0.453 1.00 0.00 C ATOM 724 O PRO A 54 3.955 -2.785 -0.573 1.00 0.00 O ATOM 725 CB PRO A 54 5.296 -5.221 0.691 1.00 0.00 C ATOM 726 CG PRO A 54 4.480 -6.405 1.079 1.00 0.00 C ATOM 727 CD PRO A 54 3.070 -5.906 1.211 1.00 0.00 C ATOM 0 HA PRO A 54 5.110 -3.706 2.288 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.320 -5.096 -0.392 1.00 0.00 H new ATOM 0 HB3 PRO A 54 6.329 -5.328 1.023 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.548 -7.190 0.326 1.00 0.00 H new ATOM 0 HG3 PRO A 54 4.833 -6.832 2.018 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.528 -5.973 0.267 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.505 -6.482 1.944 1.00 0.00 H new ATOM 732 N ALA A 55 5.424 -1.813 0.827 1.00 0.00 N ATOM 733 CA ALA A 55 5.543 -0.597 0.036 1.00 0.00 C ATOM 734 C ALA A 55 6.810 -0.625 -0.812 1.00 0.00 C ATOM 735 O ALA A 55 7.708 0.199 -0.634 1.00 0.00 O ATOM 736 CB ALA A 55 5.534 0.626 0.942 1.00 0.00 C ATOM 0 H ALA A 55 5.992 -1.822 1.674 1.00 0.00 H new ATOM 0 HA ALA A 55 4.686 -0.539 -0.635 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.624 1.528 0.337 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.600 0.657 1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.372 0.570 1.637 1.00 0.00 H new ATOM 742 N ALA A 56 6.878 -1.582 -1.733 1.00 0.00 N ATOM 743 CA ALA A 56 8.033 -1.727 -2.610 1.00 0.00 C ATOM 744 C ALA A 56 8.445 -0.384 -3.210 1.00 0.00 C ATOM 745 O ALA A 56 9.618 -0.155 -3.501 1.00 0.00 O ATOM 746 CB ALA A 56 7.736 -2.729 -3.715 1.00 0.00 C ATOM 0 H ALA A 56 6.143 -2.271 -1.891 1.00 0.00 H new ATOM 0 HA ALA A 56 8.865 -2.097 -2.011 1.00 0.00 H new ATOM 0 HB1 ALA A 56 8.608 -2.826 -4.362 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.501 -3.698 -3.274 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.886 -2.382 -4.302 1.00 0.00 H new ATOM 752 N TYR A 57 7.468 0.500 -3.388 1.00 0.00 N ATOM 753 CA TYR A 57 7.723 1.823 -3.951 1.00 0.00 C ATOM 754 C TYR A 57 6.620 2.795 -3.544 1.00 0.00 C ATOM 755 O TYR A 57 6.818 3.650 -2.681 1.00 0.00 O ATOM 756 CB TYR A 57 7.829 1.759 -5.481 1.00 0.00 C ATOM 757 CG TYR A 57 7.851 0.355 -6.043 1.00 0.00 C ATOM 758 CD1 TYR A 57 6.734 -0.467 -5.954 1.00 0.00 C ATOM 759 CD2 TYR A 57 8.988 -0.150 -6.661 1.00 0.00 C ATOM 760 CE1 TYR A 57 6.749 -1.750 -6.464 1.00 0.00 C ATOM 761 CE2 TYR A 57 9.010 -1.432 -7.175 1.00 0.00 C ATOM 762 CZ TYR A 57 7.889 -2.229 -7.074 1.00 0.00 C ATOM 763 OH TYR A 57 7.909 -3.505 -7.584 1.00 0.00 O ATOM 0 H TYR A 57 6.492 0.325 -3.151 1.00 0.00 H new ATOM 0 HA TYR A 57 8.674 2.179 -3.556 1.00 0.00 H new ATOM 0 HB2 TYR A 57 6.987 2.299 -5.915 1.00 0.00 H new ATOM 0 HB3 TYR A 57 8.736 2.277 -5.793 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.839 -0.096 -5.478 1.00 0.00 H new ATOM 0 HD2 TYR A 57 9.869 0.470 -6.741 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.872 -2.375 -6.385 1.00 0.00 H new ATOM 0 HE2 TYR A 57 9.902 -1.809 -7.654 1.00 0.00 H new ATOM 0 HH TYR A 57 6.991 -3.806 -7.749 1.00 0.00 H new ATOM 772 N VAL A 58 5.456 2.654 -4.171 1.00 0.00 N ATOM 773 CA VAL A 58 4.315 3.515 -3.873 1.00 0.00 C ATOM 774 C VAL A 58 4.699 4.991 -3.966 1.00 0.00 C ATOM 775 O VAL A 58 5.843 5.325 -4.271 1.00 0.00 O ATOM 776 CB VAL A 58 3.737 3.229 -2.468 1.00 0.00 C ATOM 777 CG1 VAL A 58 2.222 3.360 -2.474 1.00 0.00 C ATOM 778 CG2 VAL A 58 4.149 1.845 -1.980 1.00 0.00 C ATOM 0 H VAL A 58 5.278 1.952 -4.889 1.00 0.00 H new ATOM 0 HA VAL A 58 3.552 3.293 -4.619 1.00 0.00 H new ATOM 0 HB VAL A 58 4.146 3.969 -1.780 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.835 3.155 -1.476 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.945 4.372 -2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.798 2.647 -3.181 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.730 1.669 -0.990 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.776 1.089 -2.672 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.236 1.786 -1.929 1.00 0.00 H new ATOM 788 N LYS A 59 3.735 5.869 -3.703 1.00 0.00 N ATOM 789 CA LYS A 59 3.976 7.307 -3.759 1.00 0.00 C ATOM 790 C LYS A 59 4.550 7.815 -2.439 1.00 0.00 C ATOM 791 O LYS A 59 4.313 7.232 -1.382 1.00 0.00 O ATOM 792 CB LYS A 59 2.679 8.054 -4.083 1.00 0.00 C ATOM 793 CG LYS A 59 1.832 7.375 -5.149 1.00 0.00 C ATOM 794 CD LYS A 59 2.436 7.545 -6.533 1.00 0.00 C ATOM 795 CE LYS A 59 3.337 6.375 -6.898 1.00 0.00 C ATOM 796 NZ LYS A 59 4.760 6.792 -7.037 1.00 0.00 N ATOM 0 H LYS A 59 2.781 5.610 -3.449 1.00 0.00 H new ATOM 0 HA LYS A 59 4.703 7.495 -4.549 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.090 8.153 -3.171 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.924 9.063 -4.415 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.739 6.314 -4.920 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.826 7.793 -5.136 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.638 7.635 -7.270 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.009 8.471 -6.569 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.258 5.603 -6.132 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.996 5.932 -7.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.039 6.746 -8.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.872 7.766 -6.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.364 6.155 -6.480 1.00 0.00 H new ATOM 806 N LYS A 60 5.305 8.906 -2.510 1.00 0.00 N ATOM 807 CA LYS A 60 5.913 9.493 -1.322 1.00 0.00 C ATOM 808 C LYS A 60 4.845 9.959 -0.339 1.00 0.00 C ATOM 809 O LYS A 60 5.011 9.846 0.874 1.00 0.00 O ATOM 810 CB LYS A 60 6.813 10.668 -1.712 1.00 0.00 C ATOM 811 CG LYS A 60 8.067 10.782 -0.860 1.00 0.00 C ATOM 812 CD LYS A 60 8.466 12.233 -0.647 1.00 0.00 C ATOM 813 CE LYS A 60 8.970 12.470 0.768 1.00 0.00 C ATOM 814 NZ LYS A 60 10.102 13.437 0.800 1.00 0.00 N ATOM 0 H LYS A 60 5.510 9.401 -3.378 1.00 0.00 H new ATOM 0 HA LYS A 60 6.518 8.727 -0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.102 10.562 -2.758 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.243 11.594 -1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.897 10.305 0.105 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.885 10.246 -1.341 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.242 12.507 -1.362 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.610 12.879 -0.843 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.154 12.846 1.386 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.289 11.523 1.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.416 13.571 1.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.891 13.067 0.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.791 14.349 0.409 1.00 0.00 H new ATOM 824 N LEU A 61 3.746 10.486 -0.873 1.00 0.00 N ATOM 825 CA LEU A 61 2.650 10.970 -0.043 1.00 0.00 C ATOM 826 C LEU A 61 3.122 12.081 0.890 1.00 0.00 C ATOM 827 O LEU A 61 3.811 11.825 1.877 1.00 0.00 O ATOM 828 CB LEU A 61 2.054 9.821 0.773 1.00 0.00 C ATOM 829 CG LEU A 61 0.577 9.983 1.140 1.00 0.00 C ATOM 830 CD1 LEU A 61 0.395 11.115 2.138 1.00 0.00 C ATOM 831 CD2 LEU A 61 -0.256 10.234 -0.110 1.00 0.00 C ATOM 0 H LEU A 61 3.592 10.588 -1.876 1.00 0.00 H new ATOM 0 HA LEU A 61 1.882 11.376 -0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.173 8.896 0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.631 9.711 1.691 1.00 0.00 H new ATOM 0 HG LEU A 61 0.234 9.059 1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.662 11.215 2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.962 10.897 3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.754 12.047 1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.304 10.347 0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.089 11.144 -0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.151 9.391 -0.793 1.00 0.00 H new ATOM 842 N ASP A 62 2.748 13.316 0.569 1.00 0.00 N ATOM 843 CA ASP A 62 3.133 14.465 1.379 1.00 0.00 C ATOM 844 C ASP A 62 1.946 14.990 2.179 1.00 0.00 C ATOM 845 O ASP A 62 0.965 14.236 2.343 1.00 0.00 O ATOM 846 CB ASP A 62 3.694 15.576 0.488 1.00 0.00 C ATOM 847 CG ASP A 62 2.690 16.051 -0.543 1.00 0.00 C ATOM 848 OD1 ASP A 62 1.741 16.768 -0.162 1.00 0.00 O ATOM 849 OD2 ASP A 62 2.853 15.707 -1.733 1.00 0.00 O ATOM 0 H ASP A 62 2.179 13.546 -0.246 1.00 0.00 H new ATOM 0 HA ASP A 62 3.905 14.143 2.079 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.998 16.418 1.110 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.588 15.215 -0.019 1.00 0.00 H new TER 853 ASP A 62