USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 743 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 69 CYS SG : rot 180:sc= 0.836 USER MOD Set 1.2: A 105 CYS SG : rot 69:sc= 1.1 USER MOD Set 2.1: A 103 ASN : amide:sc= 0.699 K(o=0.73,f=-1.7!) USER MOD Set 2.2: A 104 TYR OH : rot 173:sc= 0.032 USER MOD Set 3.1: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 75 CYS SG : rot 180:sc= -2.59! USER MOD Set 4.1: A 40 ASN : amide:sc= -0.466 K(o=-0.23,f=-2.4!) USER MOD Set 4.2: A 42 SER OG : rot 76:sc= 0.232 USER MOD Single : A 1 ALA N :NH3+ -168:sc= 0 (180deg=-0.132) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 1.72 K(o=1.7,f=-4.4!) USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= 0.929 (180deg=0.787) USER MOD Single : A 12 CYS SG : rot -60:sc= -3.32 USER MOD Single : A 14 GLN : amide:sc= -0.971 K(o=-0.97,f=-5.9!) USER MOD Single : A 17 LYS NZ :NH3+ 138:sc= 0.709 (180deg=-1.05) USER MOD Single : A 19 SER OG : rot 69:sc= 0.55 USER MOD Single : A 20 CYS SG : rot -81:sc= -1.21 USER MOD Single : A 21 ASN : amide:sc= -0.0509 K(o=-0.051,f=-1.1!) USER MOD Single : A 22 SER OG : rot -79:sc= 0.174 USER MOD Single : A 26 SER OG : rot 160:sc= -0.509 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.864 USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot -147:sc= 0.727 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 176:sc= 1.23 (180deg=1.15) USER MOD Single : A 41 SER OG : rot -160:sc= -0.445 USER MOD Single : A 43 GLN : amide:sc= -0.0441 K(o=-0.044,f=-0.66) USER MOD Single : A 44 GLN : amide:sc= -0.125 K(o=-0.13,f=-5.4!) USER MOD Single : A 45 THR OG1 : rot -64:sc= 0.409 USER MOD Single : A 46 LYS NZ :NH3+ -175:sc= 0.856 (180deg=0.834) USER MOD Single : A 50 CYS SG : rot 20:sc= -14.3! USER MOD Single : A 51 TYR OH : rot -177:sc= -2.29! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 77:sc= 1.07 USER MOD Single : A 60 LYS NZ :NH3+ -157:sc= -0.115 (180deg=-0.491) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0523 USER MOD Single : A 65 CYS SG : rot 77:sc= -4.34! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -109:sc= 1.24 USER MOD Single : A 78 SER OG : rot -81:sc= -0.72! USER MOD Single : A 80 SER OG : rot -155:sc= 0.983 USER MOD Single : A 83 SER OG : rot 162:sc= 0.466 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 165:sc= -0.865 USER MOD Single : A 86 HIS : no HE2:sc= 0.543 K(o=0.54,f=-3.8!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -5.92! C(o=-5.9!,f=-7.8!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 177:sc= 1.17 (180deg=1.13) USER MOD Single : A 102 SER OG : rot 86:sc= 0.605 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.736 11.731 -7.028 1.00 0.54 N ATOM 2 CA ALA A 1 -2.556 10.545 -6.691 1.00 0.39 C ATOM 3 C ALA A 1 -4.037 10.882 -6.684 1.00 0.35 C ATOM 4 O ALA A 1 -4.449 11.923 -6.180 1.00 0.37 O ATOM 5 CB ALA A 1 -2.153 9.986 -5.342 1.00 0.28 C ATOM 0 H1 ALA A 1 -0.759 11.433 -7.224 1.00 0.54 H new ATOM 0 H2 ALA A 1 -2.131 12.199 -7.869 1.00 0.54 H new ATOM 0 H3 ALA A 1 -1.741 12.395 -6.228 1.00 0.54 H new ATOM 0 HA ALA A 1 -2.377 9.793 -7.459 1.00 0.39 H new ATOM 0 HB1 ALA A 1 -2.766 9.115 -5.111 1.00 0.28 H new ATOM 0 HB2 ALA A 1 -1.103 9.694 -5.368 1.00 0.28 H new ATOM 0 HB3 ALA A 1 -2.299 10.746 -4.575 1.00 0.28 H new ATOM 13 N PRO A 2 -4.851 9.993 -7.261 1.00 0.34 N ATOM 14 CA PRO A 2 -6.303 10.133 -7.324 1.00 0.34 C ATOM 15 C PRO A 2 -6.993 9.717 -6.045 1.00 0.28 C ATOM 16 O PRO A 2 -8.066 10.220 -5.712 1.00 0.28 O ATOM 17 CB PRO A 2 -6.711 9.161 -8.426 1.00 0.39 C ATOM 18 CG PRO A 2 -5.433 8.709 -9.049 1.00 0.45 C ATOM 19 CD PRO A 2 -4.426 8.784 -7.950 1.00 0.39 C ATOM 0 HA PRO A 2 -6.582 11.173 -7.496 1.00 0.34 H new ATOM 0 HB2 PRO A 2 -7.269 8.318 -8.019 1.00 0.39 H new ATOM 0 HB3 PRO A 2 -7.355 9.646 -9.159 1.00 0.39 H new ATOM 0 HG2 PRO A 2 -5.520 7.694 -9.438 1.00 0.45 H new ATOM 0 HG3 PRO A 2 -5.153 9.348 -9.886 1.00 0.45 H new ATOM 0 HD2 PRO A 2 -4.458 7.908 -7.302 1.00 0.39 H new ATOM 0 HD3 PRO A 2 -3.407 8.863 -8.330 1.00 0.39 H new ATOM 27 N THR A 3 -6.396 8.765 -5.347 1.00 0.27 N ATOM 28 CA THR A 3 -6.992 8.233 -4.143 1.00 0.24 C ATOM 29 C THR A 3 -5.975 8.172 -3.012 1.00 0.19 C ATOM 30 O THR A 3 -4.776 8.357 -3.243 1.00 0.19 O ATOM 31 CB THR A 3 -7.590 6.842 -4.387 1.00 0.31 C ATOM 32 OG1 THR A 3 -6.558 5.940 -4.805 1.00 0.34 O ATOM 33 CG2 THR A 3 -8.688 6.907 -5.444 1.00 0.37 C ATOM 0 H THR A 3 -5.499 8.348 -5.597 1.00 0.27 H new ATOM 0 HA THR A 3 -7.797 8.908 -3.852 1.00 0.24 H new ATOM 0 HB THR A 3 -8.030 6.481 -3.457 1.00 0.31 H new ATOM 0 HG1 THR A 3 -6.942 5.052 -4.959 1.00 0.34 H new ATOM 0 HG21 THR A 3 -9.100 5.910 -5.603 1.00 0.37 H new ATOM 0 HG22 THR A 3 -9.479 7.577 -5.106 1.00 0.37 H new ATOM 0 HG23 THR A 3 -8.271 7.281 -6.379 1.00 0.37 H new ATOM 41 N LEU A 4 -6.441 7.923 -1.800 1.00 0.16 N ATOM 42 CA LEU A 4 -5.572 7.972 -0.635 1.00 0.15 C ATOM 43 C LEU A 4 -4.495 6.882 -0.701 1.00 0.18 C ATOM 44 O LEU A 4 -3.332 7.122 -0.368 1.00 0.24 O ATOM 45 CB LEU A 4 -6.405 7.861 0.641 1.00 0.13 C ATOM 46 CG LEU A 4 -5.609 7.919 1.935 1.00 0.12 C ATOM 47 CD1 LEU A 4 -5.029 9.307 2.100 1.00 0.09 C ATOM 48 CD2 LEU A 4 -6.478 7.551 3.122 1.00 0.15 C ATOM 0 H LEU A 4 -7.412 7.686 -1.597 1.00 0.16 H new ATOM 0 HA LEU A 4 -5.055 8.931 -0.624 1.00 0.15 H new ATOM 0 HB2 LEU A 4 -7.140 8.666 0.648 1.00 0.13 H new ATOM 0 HB3 LEU A 4 -6.959 6.923 0.615 1.00 0.13 H new ATOM 0 HG LEU A 4 -4.796 7.194 1.889 1.00 0.12 H new ATOM 0 HD11 LEU A 4 -4.457 9.355 3.027 1.00 0.09 H new ATOM 0 HD12 LEU A 4 -4.374 9.530 1.258 1.00 0.09 H new ATOM 0 HD13 LEU A 4 -5.837 10.037 2.135 1.00 0.09 H new ATOM 0 HD21 LEU A 4 -5.886 7.600 4.036 1.00 0.15 H new ATOM 0 HD22 LEU A 4 -7.312 8.249 3.193 1.00 0.15 H new ATOM 0 HD23 LEU A 4 -6.862 6.539 2.992 1.00 0.15 H new ATOM 60 N GLN A 5 -4.884 5.701 -1.166 1.00 0.17 N ATOM 61 CA GLN A 5 -3.939 4.605 -1.389 1.00 0.22 C ATOM 62 C GLN A 5 -2.834 5.013 -2.356 1.00 0.22 C ATOM 63 O GLN A 5 -1.662 4.741 -2.116 1.00 0.25 O ATOM 64 CB GLN A 5 -4.665 3.388 -1.930 1.00 0.29 C ATOM 65 CG GLN A 5 -3.718 2.325 -2.449 1.00 0.55 C ATOM 66 CD GLN A 5 -2.841 1.711 -1.377 1.00 0.67 C ATOM 67 OE1 GLN A 5 -3.267 1.510 -0.240 1.00 1.58 O ATOM 68 NE2 GLN A 5 -1.589 1.456 -1.720 1.00 0.73 N ATOM 0 H GLN A 5 -5.851 5.474 -1.398 1.00 0.17 H new ATOM 0 HA GLN A 5 -3.483 4.360 -0.430 1.00 0.22 H new ATOM 0 HB2 GLN A 5 -5.287 2.962 -1.143 1.00 0.29 H new ATOM 0 HB3 GLN A 5 -5.334 3.696 -2.733 1.00 0.29 H new ATOM 0 HG2 GLN A 5 -4.299 1.536 -2.926 1.00 0.55 H new ATOM 0 HG3 GLN A 5 -3.082 2.763 -3.219 1.00 0.55 H new ATOM 0 HE21 GLN A 5 -1.275 1.637 -2.673 1.00 0.73 H new ATOM 0 HE22 GLN A 5 -0.938 1.079 -1.031 1.00 0.73 H new ATOM 77 N GLU A 6 -3.198 5.675 -3.441 1.00 0.23 N ATOM 78 CA GLU A 6 -2.210 6.082 -4.425 1.00 0.24 C ATOM 79 C GLU A 6 -1.336 7.192 -3.857 1.00 0.23 C ATOM 80 O GLU A 6 -0.189 7.361 -4.259 1.00 0.24 O ATOM 81 CB GLU A 6 -2.875 6.522 -5.725 1.00 0.30 C ATOM 82 CG GLU A 6 -1.886 6.768 -6.848 1.00 0.34 C ATOM 83 CD GLU A 6 -2.281 6.094 -8.143 1.00 0.95 C ATOM 84 OE1 GLU A 6 -2.655 4.906 -8.107 1.00 1.11 O ATOM 85 OE2 GLU A 6 -2.248 6.754 -9.197 1.00 1.70 O ATOM 0 H GLU A 6 -4.158 5.939 -3.661 1.00 0.23 H new ATOM 0 HA GLU A 6 -1.579 5.224 -4.655 1.00 0.24 H new ATOM 0 HB2 GLU A 6 -3.587 5.759 -6.038 1.00 0.30 H new ATOM 0 HB3 GLU A 6 -3.444 7.434 -5.544 1.00 0.30 H new ATOM 0 HG2 GLU A 6 -1.796 7.841 -7.016 1.00 0.34 H new ATOM 0 HG3 GLU A 6 -0.903 6.409 -6.544 1.00 0.34 H new ATOM 92 N ALA A 7 -1.882 7.946 -2.911 1.00 0.22 N ATOM 93 CA ALA A 7 -1.106 8.947 -2.193 1.00 0.22 C ATOM 94 C ALA A 7 -0.071 8.257 -1.326 1.00 0.19 C ATOM 95 O ALA A 7 0.989 8.810 -1.030 1.00 0.19 O ATOM 96 CB ALA A 7 -2.020 9.821 -1.353 1.00 0.24 C ATOM 0 H ALA A 7 -2.859 7.883 -2.624 1.00 0.22 H new ATOM 0 HA ALA A 7 -0.593 9.589 -2.909 1.00 0.22 H new ATOM 0 HB1 ALA A 7 -1.425 10.564 -0.822 1.00 0.24 H new ATOM 0 HB2 ALA A 7 -2.737 10.325 -2.001 1.00 0.24 H new ATOM 0 HB3 ALA A 7 -2.554 9.202 -0.632 1.00 0.24 H new ATOM 102 N LEU A 8 -0.381 7.031 -0.935 1.00 0.17 N ATOM 103 CA LEU A 8 0.562 6.203 -0.223 1.00 0.15 C ATOM 104 C LEU A 8 1.631 5.687 -1.162 1.00 0.15 C ATOM 105 O LEU A 8 2.811 5.714 -0.843 1.00 0.16 O ATOM 106 CB LEU A 8 -0.125 5.031 0.416 1.00 0.15 C ATOM 107 CG LEU A 8 -1.001 5.343 1.601 1.00 0.12 C ATOM 108 CD1 LEU A 8 -1.200 4.083 2.399 1.00 0.15 C ATOM 109 CD2 LEU A 8 -0.392 6.426 2.459 1.00 0.12 C ATOM 0 H LEU A 8 -1.286 6.591 -1.103 1.00 0.17 H new ATOM 0 HA LEU A 8 1.018 6.820 0.552 1.00 0.15 H new ATOM 0 HB2 LEU A 8 -0.734 4.536 -0.340 1.00 0.15 H new ATOM 0 HB3 LEU A 8 0.636 4.317 0.730 1.00 0.15 H new ATOM 0 HG LEU A 8 -1.964 5.713 1.249 1.00 0.12 H new ATOM 0 HD11 LEU A 8 -1.833 4.294 3.261 1.00 0.15 H new ATOM 0 HD12 LEU A 8 -1.678 3.328 1.774 1.00 0.15 H new ATOM 0 HD13 LEU A 8 -0.234 3.712 2.741 1.00 0.15 H new ATOM 0 HD21 LEU A 8 -1.046 6.630 3.306 1.00 0.12 H new ATOM 0 HD22 LEU A 8 0.581 6.097 2.823 1.00 0.12 H new ATOM 0 HD23 LEU A 8 -0.271 7.334 1.868 1.00 0.12 H new ATOM 121 N ASP A 9 1.193 5.203 -2.319 1.00 0.15 N ATOM 122 CA ASP A 9 2.095 4.763 -3.377 1.00 0.15 C ATOM 123 C ASP A 9 3.004 5.921 -3.772 1.00 0.15 C ATOM 124 O ASP A 9 4.124 5.734 -4.238 1.00 0.15 O ATOM 125 CB ASP A 9 1.296 4.302 -4.610 1.00 0.20 C ATOM 126 CG ASP A 9 0.377 3.118 -4.339 1.00 0.97 C ATOM 127 OD1 ASP A 9 0.559 2.431 -3.316 1.00 1.34 O ATOM 128 OD2 ASP A 9 -0.538 2.874 -5.154 1.00 1.61 O ATOM 0 H ASP A 9 0.204 5.105 -2.550 1.00 0.15 H new ATOM 0 HA ASP A 9 2.689 3.926 -3.010 1.00 0.15 H new ATOM 0 HB2 ASP A 9 0.699 5.137 -4.978 1.00 0.20 H new ATOM 0 HB3 ASP A 9 1.993 4.035 -5.404 1.00 0.20 H new ATOM 133 N ARG A 10 2.496 7.122 -3.549 1.00 0.17 N ATOM 134 CA ARG A 10 3.190 8.352 -3.861 1.00 0.20 C ATOM 135 C ARG A 10 4.211 8.669 -2.772 1.00 0.19 C ATOM 136 O ARG A 10 5.292 9.182 -3.050 1.00 0.24 O ATOM 137 CB ARG A 10 2.135 9.445 -3.976 1.00 0.25 C ATOM 138 CG ARG A 10 2.571 10.685 -4.711 1.00 0.67 C ATOM 139 CD ARG A 10 1.360 11.429 -5.226 1.00 0.64 C ATOM 140 NE ARG A 10 1.722 12.593 -6.027 1.00 1.02 N ATOM 141 CZ ARG A 10 1.635 13.847 -5.594 1.00 1.80 C ATOM 142 NH1 ARG A 10 1.239 14.098 -4.352 1.00 2.60 N ATOM 143 NH2 ARG A 10 1.961 14.844 -6.400 1.00 2.10 N ATOM 0 H ARG A 10 1.574 7.268 -3.139 1.00 0.17 H new ATOM 0 HA ARG A 10 3.742 8.270 -4.797 1.00 0.20 H new ATOM 0 HB2 ARG A 10 1.261 9.032 -4.480 1.00 0.25 H new ATOM 0 HB3 ARG A 10 1.819 9.730 -2.972 1.00 0.25 H new ATOM 0 HG2 ARG A 10 3.149 11.328 -4.047 1.00 0.67 H new ATOM 0 HG3 ARG A 10 3.224 10.416 -5.541 1.00 0.67 H new ATOM 0 HD2 ARG A 10 0.750 10.754 -5.826 1.00 0.64 H new ATOM 0 HD3 ARG A 10 0.747 11.748 -4.383 1.00 0.64 H new ATOM 0 HE ARG A 10 2.062 12.436 -6.976 1.00 1.02 H new ATOM 0 HH11 ARG A 10 1.001 13.328 -3.727 1.00 2.60 H new ATOM 0 HH12 ARG A 10 1.173 15.061 -4.022 1.00 2.60 H new ATOM 0 HH21 ARG A 10 2.278 14.649 -7.350 1.00 2.10 H new ATOM 0 HH22 ARG A 10 1.896 15.807 -6.072 1.00 2.10 H new ATOM 157 N LYS A 11 3.855 8.335 -1.538 1.00 0.18 N ATOM 158 CA LYS A 11 4.772 8.406 -0.410 1.00 0.21 C ATOM 159 C LYS A 11 5.847 7.348 -0.602 1.00 0.18 C ATOM 160 O LYS A 11 7.033 7.569 -0.371 1.00 0.18 O ATOM 161 CB LYS A 11 4.014 8.151 0.882 1.00 0.26 C ATOM 162 CG LYS A 11 4.876 8.251 2.117 1.00 0.42 C ATOM 163 CD LYS A 11 5.571 9.583 2.226 1.00 0.52 C ATOM 164 CE LYS A 11 4.577 10.705 2.374 1.00 0.59 C ATOM 165 NZ LYS A 11 5.146 11.873 3.094 1.00 0.99 N ATOM 0 H LYS A 11 2.921 8.007 -1.292 1.00 0.18 H new ATOM 0 HA LYS A 11 5.229 9.394 -0.355 1.00 0.21 H new ATOM 0 HB2 LYS A 11 3.196 8.867 0.961 1.00 0.26 H new ATOM 0 HB3 LYS A 11 3.566 7.158 0.841 1.00 0.26 H new ATOM 0 HG2 LYS A 11 4.259 8.093 3.001 1.00 0.42 H new ATOM 0 HG3 LYS A 11 5.621 7.456 2.102 1.00 0.42 H new ATOM 0 HD2 LYS A 11 6.245 9.575 3.082 1.00 0.52 H new ATOM 0 HD3 LYS A 11 6.183 9.750 1.340 1.00 0.52 H new ATOM 0 HE2 LYS A 11 4.238 11.020 1.387 1.00 0.59 H new ATOM 0 HE3 LYS A 11 3.701 10.342 2.911 1.00 0.59 H new ATOM 0 HZ1 LYS A 11 4.523 12.696 2.967 1.00 0.99 H new ATOM 0 HZ2 LYS A 11 5.225 11.651 4.107 1.00 0.99 H new ATOM 0 HZ3 LYS A 11 6.089 12.090 2.712 1.00 0.99 H new ATOM 179 N CYS A 12 5.386 6.199 -1.050 1.00 0.16 N ATOM 180 CA CYS A 12 6.233 5.075 -1.392 1.00 0.14 C ATOM 181 C CYS A 12 7.189 5.419 -2.529 1.00 0.14 C ATOM 182 O CYS A 12 8.318 4.935 -2.570 1.00 0.14 O ATOM 183 CB CYS A 12 5.339 3.894 -1.751 1.00 0.13 C ATOM 184 SG CYS A 12 4.485 3.194 -0.324 1.00 0.15 S ATOM 0 H CYS A 12 4.392 6.016 -1.189 1.00 0.16 H new ATOM 0 HA CYS A 12 6.857 4.815 -0.537 1.00 0.14 H new ATOM 0 HB2 CYS A 12 4.602 4.215 -2.487 1.00 0.13 H new ATOM 0 HB3 CYS A 12 5.943 3.118 -2.222 1.00 0.13 H new ATOM 0 HG CYS A 12 5.359 2.775 0.542 1.00 0.15 H new ATOM 190 N ALA A 13 6.745 6.276 -3.433 1.00 0.17 N ATOM 191 CA ALA A 13 7.573 6.725 -4.544 1.00 0.20 C ATOM 192 C ALA A 13 8.653 7.668 -4.035 1.00 0.21 C ATOM 193 O ALA A 13 9.698 7.838 -4.661 1.00 0.28 O ATOM 194 CB ALA A 13 6.709 7.416 -5.586 1.00 0.25 C ATOM 0 H ALA A 13 5.808 6.679 -3.420 1.00 0.17 H new ATOM 0 HA ALA A 13 8.053 5.863 -5.007 1.00 0.20 H new ATOM 0 HB1 ALA A 13 7.334 7.749 -6.414 1.00 0.25 H new ATOM 0 HB2 ALA A 13 5.958 6.718 -5.956 1.00 0.25 H new ATOM 0 HB3 ALA A 13 6.214 8.277 -5.136 1.00 0.25 H new ATOM 200 N GLN A 14 8.390 8.255 -2.876 1.00 0.20 N ATOM 201 CA GLN A 14 9.304 9.201 -2.260 1.00 0.23 C ATOM 202 C GLN A 14 10.446 8.484 -1.562 1.00 0.26 C ATOM 203 O GLN A 14 11.544 9.013 -1.455 1.00 0.43 O ATOM 204 CB GLN A 14 8.553 10.069 -1.264 1.00 0.24 C ATOM 205 CG GLN A 14 7.574 11.004 -1.936 1.00 0.26 C ATOM 206 CD GLN A 14 6.863 11.917 -0.959 1.00 0.32 C ATOM 207 OE1 GLN A 14 5.806 11.576 -0.428 1.00 0.87 O ATOM 208 NE2 GLN A 14 7.432 13.090 -0.727 1.00 1.07 N ATOM 0 H GLN A 14 7.539 8.088 -2.339 1.00 0.20 H new ATOM 0 HA GLN A 14 9.726 9.829 -3.045 1.00 0.23 H new ATOM 0 HB2 GLN A 14 8.017 9.430 -0.562 1.00 0.24 H new ATOM 0 HB3 GLN A 14 9.268 10.652 -0.683 1.00 0.24 H new ATOM 0 HG2 GLN A 14 8.104 11.610 -2.671 1.00 0.26 H new ATOM 0 HG3 GLN A 14 6.834 10.417 -2.481 1.00 0.26 H new ATOM 0 HE21 GLN A 14 8.309 13.332 -1.189 1.00 1.07 H new ATOM 0 HE22 GLN A 14 6.994 13.752 -0.086 1.00 1.07 H new ATOM 217 N PHE A 15 10.171 7.287 -1.071 1.00 0.20 N ATOM 218 CA PHE A 15 11.186 6.490 -0.383 1.00 0.20 C ATOM 219 C PHE A 15 11.804 5.465 -1.311 1.00 0.19 C ATOM 220 O PHE A 15 13.028 5.339 -1.384 1.00 0.24 O ATOM 221 CB PHE A 15 10.590 5.743 0.800 1.00 0.21 C ATOM 222 CG PHE A 15 9.829 6.610 1.733 1.00 0.23 C ATOM 223 CD1 PHE A 15 10.412 7.745 2.252 1.00 0.36 C ATOM 224 CD2 PHE A 15 8.538 6.288 2.098 1.00 0.18 C ATOM 225 CE1 PHE A 15 9.723 8.545 3.122 1.00 0.42 C ATOM 226 CE2 PHE A 15 7.842 7.083 2.974 1.00 0.24 C ATOM 227 CZ PHE A 15 8.398 8.223 3.441 1.00 0.33 C ATOM 0 H PHE A 15 9.255 6.842 -1.133 1.00 0.20 H new ATOM 0 HA PHE A 15 11.948 7.190 -0.040 1.00 0.20 H new ATOM 0 HB2 PHE A 15 9.931 4.959 0.428 1.00 0.21 H new ATOM 0 HB3 PHE A 15 11.393 5.251 1.349 1.00 0.21 H new ATOM 0 HD1 PHE A 15 11.421 8.005 1.970 1.00 0.36 H new ATOM 0 HD2 PHE A 15 8.071 5.403 1.691 1.00 0.18 H new ATOM 0 HE1 PHE A 15 10.195 9.414 3.557 1.00 0.42 H new ATOM 0 HE2 PHE A 15 6.850 6.798 3.290 1.00 0.24 H new ATOM 0 HZ PHE A 15 7.818 8.889 4.063 1.00 0.33 H new ATOM 237 N GLY A 16 10.943 4.707 -1.982 1.00 0.15 N ATOM 238 CA GLY A 16 11.392 3.642 -2.845 1.00 0.15 C ATOM 239 C GLY A 16 12.419 4.115 -3.830 1.00 0.15 C ATOM 240 O GLY A 16 13.573 3.707 -3.792 1.00 0.18 O ATOM 0 H GLY A 16 9.930 4.818 -1.939 1.00 0.15 H new ATOM 0 HA2 GLY A 16 11.812 2.838 -2.241 1.00 0.15 H new ATOM 0 HA3 GLY A 16 10.539 3.226 -3.381 1.00 0.15 H new ATOM 244 N LYS A 17 12.020 5.024 -4.678 1.00 0.18 N ATOM 245 CA LYS A 17 12.871 5.456 -5.750 1.00 0.23 C ATOM 246 C LYS A 17 13.970 6.367 -5.225 1.00 0.28 C ATOM 247 O LYS A 17 14.989 6.550 -5.871 1.00 0.34 O ATOM 248 CB LYS A 17 12.039 6.141 -6.803 1.00 0.28 C ATOM 249 CG LYS A 17 10.720 5.436 -7.058 1.00 0.28 C ATOM 250 CD LYS A 17 10.908 4.008 -7.564 1.00 0.27 C ATOM 251 CE LYS A 17 9.643 3.495 -8.223 1.00 0.90 C ATOM 252 NZ LYS A 17 9.270 4.317 -9.401 1.00 1.24 N ATOM 0 H LYS A 17 11.108 5.480 -4.646 1.00 0.18 H new ATOM 0 HA LYS A 17 13.357 4.591 -6.202 1.00 0.23 H new ATOM 0 HB2 LYS A 17 11.844 7.168 -6.494 1.00 0.28 H new ATOM 0 HB3 LYS A 17 12.606 6.190 -7.733 1.00 0.28 H new ATOM 0 HG2 LYS A 17 10.138 5.418 -6.137 1.00 0.28 H new ATOM 0 HG3 LYS A 17 10.144 6.004 -7.788 1.00 0.28 H new ATOM 0 HD2 LYS A 17 11.732 3.976 -8.277 1.00 0.27 H new ATOM 0 HD3 LYS A 17 11.180 3.357 -6.733 1.00 0.27 H new ATOM 0 HE2 LYS A 17 9.787 2.460 -8.532 1.00 0.90 H new ATOM 0 HE3 LYS A 17 8.827 3.502 -7.500 1.00 0.90 H new ATOM 0 HZ1 LYS A 17 8.961 3.695 -10.175 1.00 1.24 H new ATOM 0 HZ2 LYS A 17 8.495 4.961 -9.144 1.00 1.24 H new ATOM 0 HZ3 LYS A 17 10.093 4.872 -9.711 1.00 1.24 H new ATOM 266 N GLU A 18 13.754 6.932 -4.045 1.00 0.27 N ATOM 267 CA GLU A 18 14.826 7.616 -3.325 1.00 0.34 C ATOM 268 C GLU A 18 15.945 6.633 -3.011 1.00 0.35 C ATOM 269 O GLU A 18 17.128 6.951 -3.142 1.00 0.43 O ATOM 270 CB GLU A 18 14.295 8.253 -2.043 1.00 0.36 C ATOM 271 CG GLU A 18 15.378 8.649 -1.049 1.00 0.53 C ATOM 272 CD GLU A 18 14.832 9.384 0.158 1.00 1.01 C ATOM 273 OE1 GLU A 18 14.143 8.745 0.983 1.00 1.47 O ATOM 274 OE2 GLU A 18 15.065 10.605 0.278 1.00 1.55 O ATOM 0 H GLU A 18 12.853 6.932 -3.566 1.00 0.27 H new ATOM 0 HA GLU A 18 15.221 8.411 -3.957 1.00 0.34 H new ATOM 0 HB2 GLU A 18 13.715 9.138 -2.304 1.00 0.36 H new ATOM 0 HB3 GLU A 18 13.611 7.555 -1.560 1.00 0.36 H new ATOM 0 HG2 GLU A 18 15.903 7.754 -0.716 1.00 0.53 H new ATOM 0 HG3 GLU A 18 16.111 9.280 -1.551 1.00 0.53 H new ATOM 281 N SER A 19 15.554 5.432 -2.607 1.00 0.30 N ATOM 282 CA SER A 19 16.494 4.345 -2.416 1.00 0.32 C ATOM 283 C SER A 19 17.113 3.967 -3.752 1.00 0.33 C ATOM 284 O SER A 19 18.320 3.771 -3.855 1.00 0.40 O ATOM 285 CB SER A 19 15.785 3.150 -1.790 1.00 0.29 C ATOM 286 OG SER A 19 15.118 3.531 -0.597 1.00 0.30 O ATOM 0 H SER A 19 14.584 5.189 -2.405 1.00 0.30 H new ATOM 0 HA SER A 19 17.289 4.663 -1.741 1.00 0.32 H new ATOM 0 HB2 SER A 19 15.067 2.735 -2.497 1.00 0.29 H new ATOM 0 HB3 SER A 19 16.509 2.364 -1.573 1.00 0.29 H new ATOM 0 HG SER A 19 14.363 4.115 -0.817 1.00 0.30 H new ATOM 292 N CYS A 20 16.276 3.898 -4.778 1.00 0.30 N ATOM 293 CA CYS A 20 16.734 3.644 -6.135 1.00 0.33 C ATOM 294 C CYS A 20 17.761 4.692 -6.564 1.00 0.39 C ATOM 295 O CYS A 20 18.742 4.384 -7.240 1.00 0.43 O ATOM 296 CB CYS A 20 15.532 3.639 -7.086 1.00 0.32 C ATOM 297 SG CYS A 20 15.788 4.506 -8.654 1.00 1.08 S ATOM 0 H CYS A 20 15.266 4.016 -4.693 1.00 0.30 H new ATOM 0 HA CYS A 20 17.220 2.669 -6.171 1.00 0.33 H new ATOM 0 HB2 CYS A 20 15.263 2.605 -7.301 1.00 0.32 H new ATOM 0 HB3 CYS A 20 14.682 4.090 -6.574 1.00 0.32 H new ATOM 0 HG CYS A 20 15.624 5.783 -8.475 1.00 1.08 H new ATOM 303 N ASN A 21 17.532 5.925 -6.131 1.00 0.44 N ATOM 304 CA ASN A 21 18.394 7.047 -6.473 1.00 0.52 C ATOM 305 C ASN A 21 19.685 7.039 -5.666 1.00 0.58 C ATOM 306 O ASN A 21 20.666 7.674 -6.047 1.00 0.69 O ATOM 307 CB ASN A 21 17.648 8.363 -6.255 1.00 0.55 C ATOM 308 CG ASN A 21 16.710 8.688 -7.402 1.00 0.56 C ATOM 309 OD1 ASN A 21 17.007 8.395 -8.559 1.00 0.83 O ATOM 310 ND2 ASN A 21 15.567 9.280 -7.094 1.00 0.58 N ATOM 0 H ASN A 21 16.744 6.174 -5.533 1.00 0.44 H new ATOM 0 HA ASN A 21 18.663 6.949 -7.525 1.00 0.52 H new ATOM 0 HB2 ASN A 21 17.078 8.306 -5.327 1.00 0.55 H new ATOM 0 HB3 ASN A 21 18.369 9.172 -6.137 1.00 0.55 H new ATOM 0 HD21 ASN A 21 14.897 9.509 -7.828 1.00 0.58 H new ATOM 0 HD22 ASN A 21 15.356 9.507 -6.122 1.00 0.58 H new ATOM 317 N SER A 22 19.687 6.320 -4.554 1.00 0.55 N ATOM 318 CA SER A 22 20.865 6.255 -3.706 1.00 0.63 C ATOM 319 C SER A 22 21.665 4.975 -3.956 1.00 0.63 C ATOM 320 O SER A 22 22.816 4.868 -3.532 1.00 0.76 O ATOM 321 CB SER A 22 20.469 6.385 -2.232 1.00 0.67 C ATOM 322 OG SER A 22 19.274 5.678 -1.955 1.00 1.28 O ATOM 0 H SER A 22 18.891 5.777 -4.220 1.00 0.55 H new ATOM 0 HA SER A 22 21.513 7.093 -3.961 1.00 0.63 H new ATOM 0 HB2 SER A 22 21.273 6.004 -1.602 1.00 0.67 H new ATOM 0 HB3 SER A 22 20.338 7.437 -1.980 1.00 0.67 H new ATOM 0 HG SER A 22 18.504 6.207 -2.252 1.00 1.28 H new ATOM 328 N GLY A 23 21.068 4.005 -4.643 1.00 0.52 N ATOM 329 CA GLY A 23 21.820 2.826 -5.026 1.00 0.57 C ATOM 330 C GLY A 23 20.992 1.562 -5.076 1.00 0.50 C ATOM 331 O GLY A 23 21.478 0.519 -5.510 1.00 0.57 O ATOM 0 H GLY A 23 20.091 4.014 -4.937 1.00 0.52 H new ATOM 0 HA2 GLY A 23 22.268 2.995 -6.005 1.00 0.57 H new ATOM 0 HA3 GLY A 23 22.639 2.685 -4.321 1.00 0.57 H new ATOM 335 N LEU A 24 19.746 1.639 -4.639 1.00 0.41 N ATOM 336 CA LEU A 24 18.880 0.474 -4.635 1.00 0.35 C ATOM 337 C LEU A 24 18.404 0.151 -6.036 1.00 0.37 C ATOM 338 O LEU A 24 17.510 0.801 -6.577 1.00 0.53 O ATOM 339 CB LEU A 24 17.698 0.692 -3.698 1.00 0.30 C ATOM 340 CG LEU A 24 17.849 0.057 -2.318 1.00 0.38 C ATOM 341 CD1 LEU A 24 17.402 -1.390 -2.339 1.00 0.44 C ATOM 342 CD2 LEU A 24 19.293 0.144 -1.859 1.00 0.48 C ATOM 0 H LEU A 24 19.314 2.492 -4.284 1.00 0.41 H new ATOM 0 HA LEU A 24 19.454 -0.378 -4.271 1.00 0.35 H new ATOM 0 HB2 LEU A 24 17.544 1.764 -3.574 1.00 0.30 H new ATOM 0 HB3 LEU A 24 16.800 0.293 -4.170 1.00 0.30 H new ATOM 0 HG LEU A 24 17.216 0.604 -1.619 1.00 0.38 H new ATOM 0 HD11 LEU A 24 17.519 -1.821 -1.345 1.00 0.44 H new ATOM 0 HD12 LEU A 24 16.355 -1.443 -2.637 1.00 0.44 H new ATOM 0 HD13 LEU A 24 18.010 -1.948 -3.051 1.00 0.44 H new ATOM 0 HD21 LEU A 24 19.390 -0.312 -0.874 1.00 0.48 H new ATOM 0 HD22 LEU A 24 19.932 -0.383 -2.567 1.00 0.48 H new ATOM 0 HD23 LEU A 24 19.596 1.190 -1.806 1.00 0.48 H new ATOM 354 N ALA A 25 19.008 -0.873 -6.603 1.00 0.32 N ATOM 355 CA ALA A 25 18.719 -1.281 -7.973 1.00 0.33 C ATOM 356 C ALA A 25 17.304 -1.834 -8.104 1.00 0.31 C ATOM 357 O ALA A 25 16.773 -1.950 -9.206 1.00 0.41 O ATOM 358 CB ALA A 25 19.730 -2.313 -8.434 1.00 0.37 C ATOM 0 H ALA A 25 19.710 -1.446 -6.135 1.00 0.32 H new ATOM 0 HA ALA A 25 18.792 -0.398 -8.608 1.00 0.33 H new ATOM 0 HB1 ALA A 25 19.505 -2.611 -9.458 1.00 0.37 H new ATOM 0 HB2 ALA A 25 20.732 -1.885 -8.392 1.00 0.37 H new ATOM 0 HB3 ALA A 25 19.681 -3.186 -7.783 1.00 0.37 H new ATOM 364 N SER A 26 16.705 -2.167 -6.973 1.00 0.25 N ATOM 365 CA SER A 26 15.371 -2.738 -6.945 1.00 0.22 C ATOM 366 C SER A 26 14.306 -1.738 -7.391 1.00 0.19 C ATOM 367 O SER A 26 13.567 -1.997 -8.340 1.00 0.22 O ATOM 368 CB SER A 26 15.070 -3.238 -5.547 1.00 0.24 C ATOM 369 OG SER A 26 15.328 -2.236 -4.575 1.00 1.04 O ATOM 0 H SER A 26 17.128 -2.049 -6.053 1.00 0.25 H new ATOM 0 HA SER A 26 15.344 -3.568 -7.652 1.00 0.22 H new ATOM 0 HB2 SER A 26 14.027 -3.547 -5.486 1.00 0.24 H new ATOM 0 HB3 SER A 26 15.676 -4.119 -5.335 1.00 0.24 H new ATOM 0 HG SER A 26 14.842 -2.447 -3.751 1.00 1.04 H new ATOM 375 N TYR A 27 14.229 -0.599 -6.702 1.00 0.16 N ATOM 376 CA TYR A 27 13.237 0.426 -7.022 1.00 0.16 C ATOM 377 C TYR A 27 13.563 1.098 -8.349 1.00 0.21 C ATOM 378 O TYR A 27 12.728 1.793 -8.926 1.00 0.26 O ATOM 379 CB TYR A 27 13.158 1.473 -5.904 1.00 0.15 C ATOM 380 CG TYR A 27 13.140 0.862 -4.518 1.00 0.14 C ATOM 381 CD1 TYR A 27 12.015 0.199 -4.031 1.00 0.14 C ATOM 382 CD2 TYR A 27 14.250 0.960 -3.691 1.00 0.18 C ATOM 383 CE1 TYR A 27 12.010 -0.342 -2.761 1.00 0.17 C ATOM 384 CE2 TYR A 27 14.248 0.425 -2.420 1.00 0.22 C ATOM 385 CZ TYR A 27 13.092 -0.293 -1.991 1.00 0.21 C ATOM 386 OH TYR A 27 13.110 -0.756 -0.696 1.00 0.27 O ATOM 0 H TYR A 27 14.841 -0.364 -5.920 1.00 0.16 H new ATOM 0 HA TYR A 27 12.266 -0.062 -7.110 1.00 0.16 H new ATOM 0 HB2 TYR A 27 14.010 2.148 -5.986 1.00 0.15 H new ATOM 0 HB3 TYR A 27 12.260 2.075 -6.041 1.00 0.15 H new ATOM 0 HD1 TYR A 27 11.138 0.107 -4.654 1.00 0.14 H new ATOM 0 HD2 TYR A 27 15.134 1.466 -4.050 1.00 0.18 H new ATOM 0 HE1 TYR A 27 11.113 -0.813 -2.387 1.00 0.17 H new ATOM 0 HE2 TYR A 27 15.099 0.546 -1.766 1.00 0.22 H new ATOM 0 HH TYR A 27 14.003 -0.625 -0.314 1.00 0.27 H new ATOM 396 N CYS A 28 14.782 0.882 -8.825 1.00 0.25 N ATOM 397 CA CYS A 28 15.213 1.427 -10.101 1.00 0.31 C ATOM 398 C CYS A 28 14.453 0.754 -11.242 1.00 0.41 C ATOM 399 O CYS A 28 14.662 -0.428 -11.532 1.00 0.48 O ATOM 400 CB CYS A 28 16.722 1.232 -10.267 1.00 0.35 C ATOM 401 SG CYS A 28 17.417 1.945 -11.777 1.00 0.81 S ATOM 0 H CYS A 28 15.491 0.330 -8.342 1.00 0.25 H new ATOM 0 HA CYS A 28 14.996 2.495 -10.127 1.00 0.31 H new ATOM 0 HB2 CYS A 28 17.228 1.672 -9.408 1.00 0.35 H new ATOM 0 HB3 CYS A 28 16.940 0.164 -10.252 1.00 0.35 H new ATOM 0 HG CYS A 28 18.697 1.723 -11.812 1.00 0.81 H new ATOM 407 N GLY A 29 13.557 1.504 -11.871 1.00 0.50 N ATOM 408 CA GLY A 29 12.728 0.949 -12.925 1.00 0.65 C ATOM 409 C GLY A 29 11.626 0.081 -12.357 1.00 0.57 C ATOM 410 O GLY A 29 11.382 -1.028 -12.834 1.00 0.74 O ATOM 0 H GLY A 29 13.389 2.490 -11.670 1.00 0.50 H new ATOM 0 HA2 GLY A 29 12.292 1.758 -13.511 1.00 0.65 H new ATOM 0 HA3 GLY A 29 13.345 0.360 -13.604 1.00 0.65 H new ATOM 414 N ALA A 30 10.972 0.580 -11.320 1.00 0.43 N ATOM 415 CA ALA A 30 9.952 -0.174 -10.621 1.00 0.35 C ATOM 416 C ALA A 30 8.697 0.662 -10.399 1.00 0.30 C ATOM 417 O ALA A 30 8.706 1.879 -10.561 1.00 0.41 O ATOM 418 CB ALA A 30 10.510 -0.641 -9.292 1.00 0.33 C ATOM 0 H ALA A 30 11.134 1.514 -10.943 1.00 0.43 H new ATOM 0 HA ALA A 30 9.671 -1.033 -11.231 1.00 0.35 H new ATOM 0 HB1 ALA A 30 9.749 -1.210 -8.758 1.00 0.33 H new ATOM 0 HB2 ALA A 30 11.381 -1.273 -9.465 1.00 0.33 H new ATOM 0 HB3 ALA A 30 10.802 0.224 -8.696 1.00 0.33 H new ATOM 424 N ALA A 31 7.611 -0.011 -10.061 1.00 0.24 N ATOM 425 CA ALA A 31 6.383 0.639 -9.640 1.00 0.19 C ATOM 426 C ALA A 31 6.186 0.373 -8.164 1.00 0.18 C ATOM 427 O ALA A 31 5.966 -0.757 -7.787 1.00 0.30 O ATOM 428 CB ALA A 31 5.213 0.093 -10.430 1.00 0.19 C ATOM 0 H ALA A 31 7.556 -1.029 -10.071 1.00 0.24 H new ATOM 0 HA ALA A 31 6.446 1.712 -9.819 1.00 0.19 H new ATOM 0 HB1 ALA A 31 4.295 0.586 -10.108 1.00 0.19 H new ATOM 0 HB2 ALA A 31 5.372 0.280 -11.492 1.00 0.19 H new ATOM 0 HB3 ALA A 31 5.128 -0.980 -10.259 1.00 0.19 H new ATOM 434 N ILE A 32 6.282 1.376 -7.316 1.00 0.14 N ATOM 435 CA ILE A 32 6.228 1.110 -5.890 1.00 0.13 C ATOM 436 C ILE A 32 4.850 1.416 -5.321 1.00 0.13 C ATOM 437 O ILE A 32 4.195 2.384 -5.713 1.00 0.21 O ATOM 438 CB ILE A 32 7.319 1.868 -5.110 1.00 0.13 C ATOM 439 CG1 ILE A 32 7.366 1.367 -3.668 1.00 0.13 C ATOM 440 CG2 ILE A 32 7.049 3.354 -5.150 1.00 0.15 C ATOM 441 CD1 ILE A 32 8.731 1.451 -3.040 1.00 0.15 C ATOM 0 H ILE A 32 6.395 2.356 -7.576 1.00 0.14 H new ATOM 0 HA ILE A 32 6.423 0.045 -5.766 1.00 0.13 H new ATOM 0 HB ILE A 32 8.287 1.683 -5.575 1.00 0.13 H new ATOM 0 HG12 ILE A 32 6.664 1.947 -3.069 1.00 0.13 H new ATOM 0 HG13 ILE A 32 7.027 0.331 -3.642 1.00 0.13 H new ATOM 0 HG21 ILE A 32 7.826 3.880 -4.596 1.00 0.15 H new ATOM 0 HG22 ILE A 32 7.047 3.696 -6.185 1.00 0.15 H new ATOM 0 HG23 ILE A 32 6.079 3.560 -4.698 1.00 0.15 H new ATOM 0 HD11 ILE A 32 8.684 1.078 -2.017 1.00 0.15 H new ATOM 0 HD12 ILE A 32 9.434 0.848 -3.615 1.00 0.15 H new ATOM 0 HD13 ILE A 32 9.065 2.489 -3.033 1.00 0.15 H new ATOM 453 N TYR A 33 4.411 0.561 -4.411 1.00 0.10 N ATOM 454 CA TYR A 33 3.081 0.649 -3.849 1.00 0.10 C ATOM 455 C TYR A 33 3.121 0.545 -2.331 1.00 0.09 C ATOM 456 O TYR A 33 4.044 -0.038 -1.757 1.00 0.09 O ATOM 457 CB TYR A 33 2.206 -0.474 -4.404 1.00 0.10 C ATOM 458 CG TYR A 33 2.127 -0.501 -5.908 1.00 0.12 C ATOM 459 CD1 TYR A 33 1.221 0.301 -6.580 1.00 0.16 C ATOM 460 CD2 TYR A 33 2.954 -1.328 -6.655 1.00 0.13 C ATOM 461 CE1 TYR A 33 1.142 0.284 -7.954 1.00 0.19 C ATOM 462 CE2 TYR A 33 2.880 -1.352 -8.033 1.00 0.16 C ATOM 463 CZ TYR A 33 1.988 -0.560 -8.679 1.00 0.19 C ATOM 464 OH TYR A 33 1.898 -0.554 -10.052 1.00 0.24 O ATOM 0 H TYR A 33 4.969 -0.211 -4.045 1.00 0.10 H new ATOM 0 HA TYR A 33 2.663 1.617 -4.124 1.00 0.10 H new ATOM 0 HB2 TYR A 33 2.594 -1.430 -4.053 1.00 0.10 H new ATOM 0 HB3 TYR A 33 1.199 -0.371 -3.999 1.00 0.10 H new ATOM 0 HD1 TYR A 33 0.566 0.950 -6.018 1.00 0.16 H new ATOM 0 HD2 TYR A 33 3.667 -1.963 -6.150 1.00 0.13 H new ATOM 0 HE1 TYR A 33 0.433 0.917 -8.467 1.00 0.19 H new ATOM 0 HE2 TYR A 33 3.533 -2.002 -8.597 1.00 0.16 H new ATOM 0 HH TYR A 33 2.099 -1.449 -10.397 1.00 0.24 H new ATOM 474 N ALA A 34 2.111 1.110 -1.696 1.00 0.11 N ATOM 475 CA ALA A 34 1.951 1.018 -0.259 1.00 0.11 C ATOM 476 C ALA A 34 1.121 -0.184 0.097 1.00 0.10 C ATOM 477 O ALA A 34 -0.036 -0.277 -0.301 1.00 0.14 O ATOM 478 CB ALA A 34 1.256 2.241 0.279 1.00 0.12 C ATOM 0 H ALA A 34 1.379 1.645 -2.163 1.00 0.11 H new ATOM 0 HA ALA A 34 2.946 0.934 0.179 1.00 0.11 H new ATOM 0 HB1 ALA A 34 1.146 2.151 1.360 1.00 0.12 H new ATOM 0 HB2 ALA A 34 1.847 3.127 0.047 1.00 0.12 H new ATOM 0 HB3 ALA A 34 0.271 2.331 -0.180 1.00 0.12 H new ATOM 484 N ARG A 35 1.680 -1.099 0.847 1.00 0.09 N ATOM 485 CA ARG A 35 0.907 -2.232 1.274 1.00 0.09 C ATOM 486 C ARG A 35 1.156 -2.515 2.746 1.00 0.08 C ATOM 487 O ARG A 35 2.291 -2.689 3.181 1.00 0.08 O ATOM 488 CB ARG A 35 1.195 -3.451 0.388 1.00 0.10 C ATOM 489 CG ARG A 35 -0.051 -4.258 0.087 1.00 0.12 C ATOM 490 CD ARG A 35 -1.092 -3.404 -0.629 1.00 0.16 C ATOM 491 NE ARG A 35 -0.590 -2.863 -1.899 1.00 0.19 N ATOM 492 CZ ARG A 35 -1.239 -1.966 -2.644 1.00 0.39 C ATOM 493 NH1 ARG A 35 -2.425 -1.512 -2.267 1.00 0.62 N ATOM 494 NH2 ARG A 35 -0.705 -1.534 -3.779 1.00 0.40 N ATOM 0 H ARG A 35 2.648 -1.083 1.168 1.00 0.09 H new ATOM 0 HA ARG A 35 -0.153 -2.003 1.162 1.00 0.09 H new ATOM 0 HB2 ARG A 35 1.643 -3.118 -0.548 1.00 0.10 H new ATOM 0 HB3 ARG A 35 1.927 -4.090 0.882 1.00 0.10 H new ATOM 0 HG2 ARG A 35 0.208 -5.117 -0.531 1.00 0.12 H new ATOM 0 HG3 ARG A 35 -0.470 -4.648 1.015 1.00 0.12 H new ATOM 0 HD2 ARG A 35 -1.983 -4.003 -0.818 1.00 0.16 H new ATOM 0 HD3 ARG A 35 -1.393 -2.582 0.020 1.00 0.16 H new ATOM 0 HE ARG A 35 0.315 -3.195 -2.234 1.00 0.19 H new ATOM 0 HH11 ARG A 35 -2.848 -1.848 -1.402 1.00 0.62 H new ATOM 0 HH12 ARG A 35 -2.915 -0.826 -2.842 1.00 0.62 H new ATOM 0 HH21 ARG A 35 0.202 -1.888 -4.083 1.00 0.40 H new ATOM 0 HH22 ARG A 35 -1.202 -0.848 -4.348 1.00 0.40 H new ATOM 508 N TYR A 36 0.080 -2.478 3.511 1.00 0.10 N ATOM 509 CA TYR A 36 0.108 -2.812 4.921 1.00 0.11 C ATOM 510 C TYR A 36 0.164 -4.327 5.047 1.00 0.14 C ATOM 511 O TYR A 36 -0.855 -4.981 5.259 1.00 0.19 O ATOM 512 CB TYR A 36 -1.147 -2.275 5.616 1.00 0.14 C ATOM 513 CG TYR A 36 -1.060 -2.311 7.112 1.00 0.14 C ATOM 514 CD1 TYR A 36 -0.305 -1.370 7.780 1.00 0.13 C ATOM 515 CD2 TYR A 36 -1.718 -3.280 7.853 1.00 0.20 C ATOM 516 CE1 TYR A 36 -0.197 -1.378 9.145 1.00 0.15 C ATOM 517 CE2 TYR A 36 -1.620 -3.301 9.227 1.00 0.21 C ATOM 518 CZ TYR A 36 -0.856 -2.345 9.873 1.00 0.18 C ATOM 519 OH TYR A 36 -0.761 -2.356 11.244 1.00 0.20 O ATOM 0 H TYR A 36 -0.843 -2.213 3.168 1.00 0.10 H new ATOM 0 HA TYR A 36 0.980 -2.361 5.395 1.00 0.11 H new ATOM 0 HB2 TYR A 36 -1.320 -1.248 5.294 1.00 0.14 H new ATOM 0 HB3 TYR A 36 -2.009 -2.860 5.295 1.00 0.14 H new ATOM 0 HD1 TYR A 36 0.213 -0.610 7.214 1.00 0.13 H new ATOM 0 HD2 TYR A 36 -2.314 -4.026 7.348 1.00 0.20 H new ATOM 0 HE1 TYR A 36 0.400 -0.632 9.648 1.00 0.15 H new ATOM 0 HE2 TYR A 36 -2.137 -4.059 9.797 1.00 0.21 H new ATOM 0 HH TYR A 36 -1.286 -3.102 11.602 1.00 0.20 H new ATOM 529 N ASP A 37 1.349 -4.875 4.885 1.00 0.13 N ATOM 530 CA ASP A 37 1.529 -6.317 4.820 1.00 0.17 C ATOM 531 C ASP A 37 2.849 -6.715 5.443 1.00 0.17 C ATOM 532 O ASP A 37 3.551 -5.879 6.012 1.00 0.16 O ATOM 533 CB ASP A 37 1.462 -6.832 3.370 1.00 0.19 C ATOM 534 CG ASP A 37 0.071 -7.281 2.957 1.00 0.47 C ATOM 535 OD1 ASP A 37 -0.428 -8.286 3.516 1.00 0.72 O ATOM 536 OD2 ASP A 37 -0.513 -6.657 2.052 1.00 0.63 O ATOM 0 H ASP A 37 2.213 -4.341 4.795 1.00 0.13 H new ATOM 0 HA ASP A 37 0.713 -6.773 5.381 1.00 0.17 H new ATOM 0 HB2 ASP A 37 1.797 -6.044 2.696 1.00 0.19 H new ATOM 0 HB3 ASP A 37 2.155 -7.666 3.255 1.00 0.19 H new ATOM 541 N LYS A 38 3.177 -7.990 5.347 1.00 0.24 N ATOM 542 CA LYS A 38 4.434 -8.495 5.863 1.00 0.27 C ATOM 543 C LYS A 38 5.602 -7.910 5.093 1.00 0.26 C ATOM 544 O LYS A 38 5.472 -7.570 3.917 1.00 0.24 O ATOM 545 CB LYS A 38 4.496 -10.010 5.712 1.00 0.35 C ATOM 546 CG LYS A 38 3.381 -10.768 6.410 1.00 0.73 C ATOM 547 CD LYS A 38 3.419 -12.246 6.058 1.00 1.05 C ATOM 548 CE LYS A 38 3.539 -12.447 4.557 1.00 0.94 C ATOM 549 NZ LYS A 38 3.465 -13.880 4.165 1.00 1.74 N ATOM 0 H LYS A 38 2.585 -8.699 4.913 1.00 0.24 H new ATOM 0 HA LYS A 38 4.495 -8.211 6.914 1.00 0.27 H new ATOM 0 HB2 LYS A 38 4.474 -10.256 4.650 1.00 0.35 H new ATOM 0 HB3 LYS A 38 5.452 -10.360 6.100 1.00 0.35 H new ATOM 0 HG2 LYS A 38 3.474 -10.646 7.489 1.00 0.73 H new ATOM 0 HG3 LYS A 38 2.417 -10.348 6.124 1.00 0.73 H new ATOM 0 HD2 LYS A 38 4.262 -12.721 6.560 1.00 1.05 H new ATOM 0 HD3 LYS A 38 2.515 -12.733 6.422 1.00 1.05 H new ATOM 0 HE2 LYS A 38 2.744 -11.895 4.055 1.00 0.94 H new ATOM 0 HE3 LYS A 38 4.484 -12.028 4.212 1.00 0.94 H new ATOM 0 HZ1 LYS A 38 3.484 -13.958 3.128 1.00 1.74 H new ATOM 0 HZ2 LYS A 38 4.277 -14.392 4.565 1.00 1.74 H new ATOM 0 HZ3 LYS A 38 2.582 -14.294 4.527 1.00 1.74 H new ATOM 563 N GLY A 39 6.741 -7.806 5.755 1.00 0.34 N ATOM 564 CA GLY A 39 7.951 -7.440 5.066 1.00 0.39 C ATOM 565 C GLY A 39 8.578 -8.669 4.461 1.00 0.38 C ATOM 566 O GLY A 39 7.942 -9.381 3.683 1.00 0.40 O ATOM 0 H GLY A 39 6.847 -7.969 6.756 1.00 0.34 H new ATOM 0 HA2 GLY A 39 7.731 -6.710 4.287 1.00 0.39 H new ATOM 0 HA3 GLY A 39 8.647 -6.967 5.759 1.00 0.39 H new ATOM 570 N ASN A 40 9.807 -8.940 4.825 1.00 0.42 N ATOM 571 CA ASN A 40 10.427 -10.186 4.439 1.00 0.46 C ATOM 572 C ASN A 40 9.875 -11.280 5.355 1.00 0.45 C ATOM 573 O ASN A 40 9.219 -10.975 6.360 1.00 0.42 O ATOM 574 CB ASN A 40 11.952 -10.061 4.562 1.00 0.56 C ATOM 575 CG ASN A 40 12.691 -11.256 3.995 1.00 0.82 C ATOM 576 OD1 ASN A 40 12.975 -12.223 4.701 1.00 0.89 O ATOM 577 ND2 ASN A 40 13.008 -11.193 2.711 1.00 1.69 N ATOM 0 H ASN A 40 10.395 -8.321 5.383 1.00 0.42 H new ATOM 0 HA ASN A 40 10.204 -10.437 3.402 1.00 0.46 H new ATOM 0 HB2 ASN A 40 12.280 -9.159 4.045 1.00 0.56 H new ATOM 0 HB3 ASN A 40 12.218 -9.941 5.612 1.00 0.56 H new ATOM 0 HD21 ASN A 40 13.507 -11.966 2.270 1.00 1.69 H new ATOM 0 HD22 ASN A 40 12.753 -10.372 2.162 1.00 1.69 H new ATOM 584 N SER A 41 10.122 -12.543 5.033 1.00 0.57 N ATOM 585 CA SER A 41 9.614 -13.647 5.844 1.00 0.65 C ATOM 586 C SER A 41 10.293 -13.688 7.209 1.00 0.63 C ATOM 587 O SER A 41 9.963 -14.521 8.051 1.00 0.75 O ATOM 588 CB SER A 41 9.806 -14.978 5.123 1.00 0.94 C ATOM 589 OG SER A 41 9.007 -15.034 3.957 1.00 1.58 O ATOM 0 H SER A 41 10.668 -12.830 4.221 1.00 0.57 H new ATOM 0 HA SER A 41 8.548 -13.480 5.998 1.00 0.65 H new ATOM 0 HB2 SER A 41 10.855 -15.105 4.857 1.00 0.94 H new ATOM 0 HB3 SER A 41 9.544 -15.800 5.790 1.00 0.94 H new ATOM 0 HG SER A 41 8.889 -15.968 3.686 1.00 1.58 H new ATOM 595 N SER A 42 11.251 -12.797 7.406 1.00 0.70 N ATOM 596 CA SER A 42 11.912 -12.645 8.687 1.00 0.85 C ATOM 597 C SER A 42 11.156 -11.657 9.581 1.00 0.84 C ATOM 598 O SER A 42 11.476 -11.514 10.761 1.00 1.07 O ATOM 599 CB SER A 42 13.346 -12.163 8.473 1.00 1.03 C ATOM 600 OG SER A 42 14.025 -12.986 7.536 1.00 1.61 O ATOM 0 H SER A 42 11.590 -12.162 6.683 1.00 0.70 H new ATOM 0 HA SER A 42 11.924 -13.614 9.186 1.00 0.85 H new ATOM 0 HB2 SER A 42 13.338 -11.132 8.118 1.00 1.03 H new ATOM 0 HB3 SER A 42 13.881 -12.169 9.423 1.00 1.03 H new ATOM 0 HG SER A 42 13.717 -12.773 6.630 1.00 1.61 H new ATOM 606 N GLN A 43 10.156 -10.971 9.022 1.00 0.71 N ATOM 607 CA GLN A 43 9.455 -9.931 9.773 1.00 0.85 C ATOM 608 C GLN A 43 7.972 -10.248 9.958 1.00 0.89 C ATOM 609 O GLN A 43 7.447 -10.133 11.066 1.00 1.47 O ATOM 610 CB GLN A 43 9.563 -8.595 9.031 1.00 0.90 C ATOM 611 CG GLN A 43 9.165 -7.388 9.869 1.00 1.37 C ATOM 612 CD GLN A 43 10.094 -7.156 11.049 1.00 1.82 C ATOM 613 OE1 GLN A 43 11.281 -7.467 10.986 1.00 2.47 O ATOM 614 NE2 GLN A 43 9.563 -6.601 12.127 1.00 2.27 N ATOM 0 H GLN A 43 9.819 -11.114 8.070 1.00 0.71 H new ATOM 0 HA GLN A 43 9.926 -9.879 10.755 1.00 0.85 H new ATOM 0 HB2 GLN A 43 10.589 -8.464 8.688 1.00 0.90 H new ATOM 0 HB3 GLN A 43 8.932 -8.632 8.143 1.00 0.90 H new ATOM 0 HG2 GLN A 43 9.159 -6.500 9.238 1.00 1.37 H new ATOM 0 HG3 GLN A 43 8.148 -7.526 10.235 1.00 1.37 H new ATOM 0 HE21 GLN A 43 8.573 -6.357 12.140 1.00 2.27 H new ATOM 0 HE22 GLN A 43 10.144 -6.417 12.945 1.00 2.27 H new ATOM 623 N GLN A 44 7.324 -10.697 8.882 1.00 0.61 N ATOM 624 CA GLN A 44 5.864 -10.788 8.836 1.00 0.58 C ATOM 625 C GLN A 44 5.231 -9.487 9.353 1.00 0.65 C ATOM 626 O GLN A 44 5.481 -8.432 8.762 1.00 1.34 O ATOM 627 CB GLN A 44 5.337 -12.004 9.583 1.00 0.63 C ATOM 628 CG GLN A 44 5.628 -13.328 8.892 1.00 1.03 C ATOM 629 CD GLN A 44 6.910 -13.990 9.356 1.00 1.58 C ATOM 630 OE1 GLN A 44 7.851 -13.333 9.795 1.00 2.07 O ATOM 631 NE2 GLN A 44 6.964 -15.305 9.233 1.00 2.18 N ATOM 0 H GLN A 44 7.789 -11.004 8.028 1.00 0.61 H new ATOM 0 HA GLN A 44 5.574 -10.921 7.794 1.00 0.58 H new ATOM 0 HB2 GLN A 44 5.775 -12.023 10.581 1.00 0.63 H new ATOM 0 HB3 GLN A 44 4.259 -11.901 9.710 1.00 0.63 H new ATOM 0 HG2 GLN A 44 4.795 -14.009 9.066 1.00 1.03 H new ATOM 0 HG3 GLN A 44 5.685 -13.161 7.816 1.00 1.03 H new ATOM 0 HE21 GLN A 44 6.162 -15.816 8.864 1.00 2.18 H new ATOM 0 HE22 GLN A 44 7.808 -15.809 9.507 1.00 2.18 H new ATOM 640 N THR A 45 4.447 -9.580 10.449 1.00 0.27 N ATOM 641 CA THR A 45 3.755 -8.435 11.088 1.00 0.30 C ATOM 642 C THR A 45 3.416 -7.299 10.128 1.00 0.25 C ATOM 643 O THR A 45 4.263 -6.465 9.829 1.00 0.35 O ATOM 644 CB THR A 45 4.557 -7.853 12.274 1.00 0.47 C ATOM 645 OG1 THR A 45 5.938 -7.675 11.928 1.00 0.57 O ATOM 646 CG2 THR A 45 4.444 -8.746 13.496 1.00 0.59 C ATOM 0 H THR A 45 4.273 -10.466 10.924 1.00 0.27 H new ATOM 0 HA THR A 45 2.819 -8.863 11.447 1.00 0.30 H new ATOM 0 HB THR A 45 4.129 -6.879 12.510 1.00 0.47 H new ATOM 0 HG1 THR A 45 6.344 -8.548 11.744 1.00 0.57 H new ATOM 0 HG21 THR A 45 5.017 -8.314 14.316 1.00 0.59 H new ATOM 0 HG22 THR A 45 3.398 -8.830 13.789 1.00 0.59 H new ATOM 0 HG23 THR A 45 4.836 -9.736 13.261 1.00 0.59 H new ATOM 654 N LYS A 46 2.171 -7.234 9.675 1.00 0.21 N ATOM 655 CA LYS A 46 1.795 -6.217 8.704 1.00 0.18 C ATOM 656 C LYS A 46 1.986 -4.818 9.265 1.00 0.17 C ATOM 657 O LYS A 46 1.440 -4.477 10.313 1.00 0.21 O ATOM 658 CB LYS A 46 0.350 -6.334 8.257 1.00 0.20 C ATOM 659 CG LYS A 46 -0.053 -7.702 7.762 1.00 0.23 C ATOM 660 CD LYS A 46 -1.119 -7.571 6.695 1.00 0.24 C ATOM 661 CE LYS A 46 -1.775 -8.901 6.381 1.00 0.34 C ATOM 662 NZ LYS A 46 -2.664 -8.797 5.197 1.00 0.55 N ATOM 0 H LYS A 46 1.418 -7.861 9.958 1.00 0.21 H new ATOM 0 HA LYS A 46 2.450 -6.384 7.849 1.00 0.18 H new ATOM 0 HB2 LYS A 46 -0.296 -6.060 9.091 1.00 0.20 H new ATOM 0 HB3 LYS A 46 0.171 -5.609 7.463 1.00 0.20 H new ATOM 0 HG2 LYS A 46 0.815 -8.223 7.359 1.00 0.23 H new ATOM 0 HG3 LYS A 46 -0.428 -8.302 8.591 1.00 0.23 H new ATOM 0 HD2 LYS A 46 -1.878 -6.862 7.026 1.00 0.24 H new ATOM 0 HD3 LYS A 46 -0.675 -7.163 5.787 1.00 0.24 H new ATOM 0 HE2 LYS A 46 -1.008 -9.653 6.197 1.00 0.34 H new ATOM 0 HE3 LYS A 46 -2.351 -9.237 7.243 1.00 0.34 H new ATOM 0 HZ1 LYS A 46 -3.163 -9.699 5.057 1.00 0.55 H new ATOM 0 HZ2 LYS A 46 -3.358 -8.037 5.349 1.00 0.55 H new ATOM 0 HZ3 LYS A 46 -2.095 -8.582 4.353 1.00 0.55 H new ATOM 676 N GLU A 47 2.769 -4.032 8.561 1.00 0.13 N ATOM 677 CA GLU A 47 2.874 -2.599 8.809 1.00 0.14 C ATOM 678 C GLU A 47 2.979 -1.901 7.486 1.00 0.11 C ATOM 679 O GLU A 47 3.355 -2.520 6.486 1.00 0.12 O ATOM 680 CB GLU A 47 4.079 -2.228 9.667 1.00 0.18 C ATOM 681 CG GLU A 47 3.967 -2.690 11.101 1.00 0.32 C ATOM 682 CD GLU A 47 5.185 -2.317 11.914 1.00 0.33 C ATOM 683 OE1 GLU A 47 6.225 -2.996 11.774 1.00 0.47 O ATOM 684 OE2 GLU A 47 5.102 -1.365 12.717 1.00 0.64 O ATOM 0 H GLU A 47 3.356 -4.363 7.796 1.00 0.13 H new ATOM 0 HA GLU A 47 1.986 -2.290 9.361 1.00 0.14 H new ATOM 0 HB2 GLU A 47 4.976 -2.660 9.224 1.00 0.18 H new ATOM 0 HB3 GLU A 47 4.206 -1.145 9.652 1.00 0.18 H new ATOM 0 HG2 GLU A 47 3.079 -2.250 11.555 1.00 0.32 H new ATOM 0 HG3 GLU A 47 3.833 -3.772 11.124 1.00 0.32 H new ATOM 691 N TRP A 48 2.617 -0.635 7.464 1.00 0.11 N ATOM 692 CA TRP A 48 2.753 0.145 6.265 1.00 0.11 C ATOM 693 C TRP A 48 4.199 0.201 5.822 1.00 0.10 C ATOM 694 O TRP A 48 5.052 0.759 6.502 1.00 0.12 O ATOM 695 CB TRP A 48 2.259 1.551 6.476 1.00 0.12 C ATOM 696 CG TRP A 48 0.787 1.695 6.370 1.00 0.12 C ATOM 697 CD1 TRP A 48 -0.066 2.148 7.325 1.00 0.13 C ATOM 698 CD2 TRP A 48 -0.012 1.369 5.235 1.00 0.12 C ATOM 699 NE1 TRP A 48 -1.348 2.163 6.833 1.00 0.13 N ATOM 700 CE2 TRP A 48 -1.340 1.673 5.558 1.00 0.12 C ATOM 701 CE3 TRP A 48 0.276 0.856 3.972 1.00 0.12 C ATOM 702 CZ2 TRP A 48 -2.387 1.483 4.665 1.00 0.13 C ATOM 703 CZ3 TRP A 48 -0.760 0.661 3.085 1.00 0.13 C ATOM 704 CH2 TRP A 48 -2.077 0.973 3.434 1.00 0.14 C ATOM 0 H TRP A 48 2.229 -0.132 8.262 1.00 0.11 H new ATOM 0 HA TRP A 48 2.152 -0.339 5.495 1.00 0.11 H new ATOM 0 HB2 TRP A 48 2.577 1.893 7.461 1.00 0.12 H new ATOM 0 HB3 TRP A 48 2.732 2.205 5.743 1.00 0.12 H new ATOM 0 HD1 TRP A 48 0.221 2.451 8.321 1.00 0.13 H new ATOM 0 HE1 TRP A 48 -2.173 2.488 7.338 1.00 0.13 H new ATOM 0 HE3 TRP A 48 1.292 0.616 3.694 1.00 0.12 H new ATOM 0 HZ2 TRP A 48 -3.404 1.728 4.932 1.00 0.13 H new ATOM 0 HZ3 TRP A 48 -0.551 0.261 2.104 1.00 0.13 H new ATOM 0 HH2 TRP A 48 -2.867 0.808 2.716 1.00 0.14 H new ATOM 715 N ARG A 49 4.477 -0.379 4.693 1.00 0.11 N ATOM 716 CA ARG A 49 5.815 -0.371 4.164 1.00 0.13 C ATOM 717 C ARG A 49 5.744 -0.117 2.675 1.00 0.11 C ATOM 718 O ARG A 49 4.655 -0.118 2.097 1.00 0.13 O ATOM 719 CB ARG A 49 6.499 -1.705 4.483 1.00 0.15 C ATOM 720 CG ARG A 49 6.744 -1.907 5.974 1.00 0.21 C ATOM 721 CD ARG A 49 6.777 -3.370 6.357 1.00 0.31 C ATOM 722 NE ARG A 49 6.663 -3.539 7.802 1.00 0.51 N ATOM 723 CZ ARG A 49 6.356 -4.685 8.398 1.00 0.30 C ATOM 724 NH1 ARG A 49 6.020 -5.743 7.680 1.00 0.82 N ATOM 725 NH2 ARG A 49 6.333 -4.759 9.720 1.00 0.45 N ATOM 0 H ARG A 49 3.793 -0.867 4.115 1.00 0.11 H new ATOM 0 HA ARG A 49 6.408 0.421 4.621 1.00 0.13 H new ATOM 0 HB2 ARG A 49 5.883 -2.522 4.108 1.00 0.15 H new ATOM 0 HB3 ARG A 49 7.451 -1.755 3.954 1.00 0.15 H new ATOM 0 HG2 ARG A 49 7.689 -1.440 6.251 1.00 0.21 H new ATOM 0 HG3 ARG A 49 5.961 -1.403 6.540 1.00 0.21 H new ATOM 0 HD2 ARG A 49 5.962 -3.897 5.861 1.00 0.31 H new ATOM 0 HD3 ARG A 49 7.707 -3.819 6.008 1.00 0.31 H new ATOM 0 HE ARG A 49 6.830 -2.724 8.392 1.00 0.51 H new ATOM 0 HH11 ARG A 49 5.996 -5.682 6.662 1.00 0.82 H new ATOM 0 HH12 ARG A 49 5.785 -6.621 8.144 1.00 0.82 H new ATOM 0 HH21 ARG A 49 6.551 -3.935 10.281 1.00 0.45 H new ATOM 0 HH22 ARG A 49 6.097 -5.640 10.177 1.00 0.45 H new ATOM 739 N CYS A 50 6.883 0.083 2.047 1.00 0.11 N ATOM 740 CA CYS A 50 6.889 0.321 0.628 1.00 0.11 C ATOM 741 C CYS A 50 7.237 -0.981 -0.034 1.00 0.11 C ATOM 742 O CYS A 50 8.234 -1.610 0.300 1.00 0.17 O ATOM 743 CB CYS A 50 7.921 1.392 0.226 1.00 0.19 C ATOM 744 SG CYS A 50 9.560 0.741 -0.149 1.00 1.13 S ATOM 0 H CYS A 50 7.801 0.085 2.492 1.00 0.11 H new ATOM 0 HA CYS A 50 5.911 0.689 0.318 1.00 0.11 H new ATOM 0 HB2 CYS A 50 7.548 1.929 -0.646 1.00 0.19 H new ATOM 0 HB3 CYS A 50 8.008 2.118 1.035 1.00 0.19 H new ATOM 0 HG CYS A 50 9.473 -0.530 -0.410 1.00 1.13 H new ATOM 750 N TYR A 51 6.389 -1.414 -0.921 1.00 0.10 N ATOM 751 CA TYR A 51 6.646 -2.611 -1.666 1.00 0.11 C ATOM 752 C TYR A 51 6.519 -2.286 -3.130 1.00 0.10 C ATOM 753 O TYR A 51 5.460 -1.857 -3.583 1.00 0.11 O ATOM 754 CB TYR A 51 5.654 -3.706 -1.289 1.00 0.11 C ATOM 755 CG TYR A 51 5.611 -4.033 0.173 1.00 0.12 C ATOM 756 CD1 TYR A 51 6.782 -4.242 0.869 1.00 0.14 C ATOM 757 CD2 TYR A 51 4.411 -4.142 0.851 1.00 0.14 C ATOM 758 CE1 TYR A 51 6.764 -4.556 2.211 1.00 0.16 C ATOM 759 CE2 TYR A 51 4.381 -4.453 2.193 1.00 0.16 C ATOM 760 CZ TYR A 51 5.505 -4.616 2.875 1.00 0.16 C ATOM 761 OH TYR A 51 5.535 -4.976 4.199 1.00 0.20 O ATOM 0 H TYR A 51 5.508 -0.952 -1.147 1.00 0.10 H new ATOM 0 HA TYR A 51 7.648 -2.976 -1.441 1.00 0.11 H new ATOM 0 HB2 TYR A 51 4.658 -3.401 -1.609 1.00 0.11 H new ATOM 0 HB3 TYR A 51 5.904 -4.611 -1.843 1.00 0.11 H new ATOM 0 HD1 TYR A 51 7.728 -4.158 0.355 1.00 0.14 H new ATOM 0 HD2 TYR A 51 3.484 -3.981 0.321 1.00 0.14 H new ATOM 0 HE1 TYR A 51 7.682 -4.752 2.746 1.00 0.16 H new ATOM 0 HE2 TYR A 51 3.431 -4.565 2.694 1.00 0.16 H new ATOM 0 HH TYR A 51 4.619 -5.032 4.544 1.00 0.20 H new ATOM 771 N ILE A 52 7.590 -2.432 -3.867 1.00 0.11 N ATOM 772 CA ILE A 52 7.502 -2.247 -5.291 1.00 0.12 C ATOM 773 C ILE A 52 6.703 -3.386 -5.903 1.00 0.15 C ATOM 774 O ILE A 52 6.659 -4.475 -5.337 1.00 0.17 O ATOM 775 CB ILE A 52 8.876 -2.125 -5.962 1.00 0.15 C ATOM 776 CG1 ILE A 52 9.927 -2.891 -5.214 1.00 0.23 C ATOM 777 CG2 ILE A 52 9.287 -0.671 -6.051 1.00 0.12 C ATOM 778 CD1 ILE A 52 11.265 -2.796 -5.901 1.00 0.24 C ATOM 0 H ILE A 52 8.516 -2.674 -3.513 1.00 0.11 H new ATOM 0 HA ILE A 52 6.991 -1.301 -5.468 1.00 0.12 H new ATOM 0 HB ILE A 52 8.789 -2.548 -6.963 1.00 0.15 H new ATOM 0 HG12 ILE A 52 10.009 -2.504 -4.198 1.00 0.23 H new ATOM 0 HG13 ILE A 52 9.630 -3.937 -5.134 1.00 0.23 H new ATOM 0 HG21 ILE A 52 10.264 -0.598 -6.529 1.00 0.12 H new ATOM 0 HG22 ILE A 52 8.553 -0.121 -6.639 1.00 0.12 H new ATOM 0 HG23 ILE A 52 9.341 -0.246 -5.049 1.00 0.12 H new ATOM 0 HD11 ILE A 52 12.006 -3.361 -5.335 1.00 0.24 H new ATOM 0 HD12 ILE A 52 11.187 -3.206 -6.908 1.00 0.24 H new ATOM 0 HD13 ILE A 52 11.571 -1.752 -5.958 1.00 0.24 H new ATOM 790 N GLU A 53 6.064 -3.131 -7.037 1.00 0.16 N ATOM 791 CA GLU A 53 5.233 -4.115 -7.728 1.00 0.18 C ATOM 792 C GLU A 53 5.985 -5.427 -7.885 1.00 0.20 C ATOM 793 O GLU A 53 5.400 -6.509 -7.939 1.00 0.24 O ATOM 794 CB GLU A 53 4.829 -3.574 -9.097 1.00 0.19 C ATOM 795 CG GLU A 53 3.943 -4.519 -9.874 1.00 0.22 C ATOM 796 CD GLU A 53 3.479 -3.921 -11.185 1.00 0.27 C ATOM 797 OE1 GLU A 53 2.474 -3.173 -11.186 1.00 0.34 O ATOM 798 OE2 GLU A 53 4.125 -4.180 -12.220 1.00 0.39 O ATOM 0 H GLU A 53 6.107 -2.228 -7.509 1.00 0.16 H new ATOM 0 HA GLU A 53 4.337 -4.300 -7.136 1.00 0.18 H new ATOM 0 HB2 GLU A 53 4.310 -2.625 -8.966 1.00 0.19 H new ATOM 0 HB3 GLU A 53 5.728 -3.368 -9.679 1.00 0.19 H new ATOM 0 HG2 GLU A 53 4.485 -5.444 -10.070 1.00 0.22 H new ATOM 0 HG3 GLU A 53 3.075 -4.781 -9.269 1.00 0.22 H new ATOM 805 N LYS A 54 7.296 -5.287 -7.929 1.00 0.20 N ATOM 806 CA LYS A 54 8.221 -6.394 -8.000 1.00 0.24 C ATOM 807 C LYS A 54 7.973 -7.411 -6.892 1.00 0.25 C ATOM 808 O LYS A 54 8.082 -8.622 -7.097 1.00 0.30 O ATOM 809 CB LYS A 54 9.635 -5.827 -7.860 1.00 0.26 C ATOM 810 CG LYS A 54 9.957 -4.797 -8.932 1.00 0.79 C ATOM 811 CD LYS A 54 11.445 -4.521 -9.044 1.00 1.67 C ATOM 812 CE LYS A 54 12.170 -5.681 -9.701 1.00 2.57 C ATOM 813 NZ LYS A 54 13.590 -5.357 -9.988 1.00 3.37 N ATOM 0 H LYS A 54 7.755 -4.376 -7.916 1.00 0.20 H new ATOM 0 HA LYS A 54 8.088 -6.909 -8.951 1.00 0.24 H new ATOM 0 HB2 LYS A 54 9.744 -5.370 -6.877 1.00 0.26 H new ATOM 0 HB3 LYS A 54 10.357 -6.642 -7.915 1.00 0.26 H new ATOM 0 HG2 LYS A 54 9.583 -5.149 -9.893 1.00 0.79 H new ATOM 0 HG3 LYS A 54 9.434 -3.867 -8.707 1.00 0.79 H new ATOM 0 HD2 LYS A 54 11.606 -3.612 -9.624 1.00 1.67 H new ATOM 0 HD3 LYS A 54 11.860 -4.344 -8.052 1.00 1.67 H new ATOM 0 HE2 LYS A 54 12.122 -6.554 -9.051 1.00 2.57 H new ATOM 0 HE3 LYS A 54 11.664 -5.946 -10.629 1.00 2.57 H new ATOM 0 HZ1 LYS A 54 14.049 -6.175 -10.436 1.00 3.37 H new ATOM 0 HZ2 LYS A 54 13.637 -4.540 -10.629 1.00 3.37 H new ATOM 0 HZ3 LYS A 54 14.080 -5.129 -9.100 1.00 3.37 H new ATOM 827 N GLU A 55 7.629 -6.903 -5.725 1.00 0.22 N ATOM 828 CA GLU A 55 7.596 -7.702 -4.518 1.00 0.26 C ATOM 829 C GLU A 55 6.170 -8.044 -4.065 1.00 0.24 C ATOM 830 O GLU A 55 5.980 -8.950 -3.255 1.00 0.38 O ATOM 831 CB GLU A 55 8.340 -6.939 -3.439 1.00 0.28 C ATOM 832 CG GLU A 55 9.695 -6.434 -3.907 1.00 0.27 C ATOM 833 CD GLU A 55 10.721 -7.540 -4.045 1.00 0.32 C ATOM 834 OE1 GLU A 55 11.272 -7.972 -3.017 1.00 0.71 O ATOM 835 OE2 GLU A 55 10.992 -7.974 -5.186 1.00 0.70 O ATOM 0 H GLU A 55 7.365 -5.927 -5.588 1.00 0.22 H new ATOM 0 HA GLU A 55 8.075 -8.661 -4.717 1.00 0.26 H new ATOM 0 HB2 GLU A 55 7.734 -6.093 -3.114 1.00 0.28 H new ATOM 0 HB3 GLU A 55 8.477 -7.585 -2.572 1.00 0.28 H new ATOM 0 HG2 GLU A 55 9.578 -5.932 -4.867 1.00 0.27 H new ATOM 0 HG3 GLU A 55 10.063 -5.690 -3.201 1.00 0.27 H new ATOM 842 N LEU A 56 5.168 -7.321 -4.569 1.00 0.15 N ATOM 843 CA LEU A 56 3.781 -7.639 -4.265 1.00 0.14 C ATOM 844 C LEU A 56 3.335 -8.869 -5.030 1.00 0.16 C ATOM 845 O LEU A 56 4.013 -9.340 -5.943 1.00 0.22 O ATOM 846 CB LEU A 56 2.838 -6.492 -4.640 1.00 0.14 C ATOM 847 CG LEU A 56 2.803 -5.295 -3.693 1.00 0.13 C ATOM 848 CD1 LEU A 56 4.119 -4.582 -3.745 1.00 0.12 C ATOM 849 CD2 LEU A 56 1.700 -4.342 -4.102 1.00 0.15 C ATOM 0 H LEU A 56 5.294 -6.518 -5.185 1.00 0.15 H new ATOM 0 HA LEU A 56 3.733 -7.814 -3.190 1.00 0.14 H new ATOM 0 HB2 LEU A 56 3.116 -6.134 -5.631 1.00 0.14 H new ATOM 0 HB3 LEU A 56 1.828 -6.894 -4.718 1.00 0.14 H new ATOM 0 HG LEU A 56 2.613 -5.647 -2.679 1.00 0.13 H new ATOM 0 HD11 LEU A 56 4.096 -3.727 -3.070 1.00 0.12 H new ATOM 0 HD12 LEU A 56 4.914 -5.263 -3.442 1.00 0.12 H new ATOM 0 HD13 LEU A 56 4.306 -4.236 -4.762 1.00 0.12 H new ATOM 0 HD21 LEU A 56 1.683 -3.491 -3.421 1.00 0.15 H new ATOM 0 HD22 LEU A 56 1.881 -3.990 -5.117 1.00 0.15 H new ATOM 0 HD23 LEU A 56 0.740 -4.858 -4.063 1.00 0.15 H new ATOM 861 N ASP A 57 2.180 -9.364 -4.653 1.00 0.16 N ATOM 862 CA ASP A 57 1.527 -10.433 -5.379 1.00 0.19 C ATOM 863 C ASP A 57 0.125 -9.985 -5.746 1.00 0.21 C ATOM 864 O ASP A 57 -0.727 -9.803 -4.873 1.00 0.24 O ATOM 865 CB ASP A 57 1.448 -11.710 -4.543 1.00 0.22 C ATOM 866 CG ASP A 57 1.228 -12.939 -5.398 1.00 0.28 C ATOM 867 OD1 ASP A 57 0.404 -12.876 -6.332 1.00 0.98 O ATOM 868 OD2 ASP A 57 1.867 -13.972 -5.133 1.00 0.80 O ATOM 0 H ASP A 57 1.665 -9.039 -3.835 1.00 0.16 H new ATOM 0 HA ASP A 57 2.109 -10.653 -6.274 1.00 0.19 H new ATOM 0 HB2 ASP A 57 2.369 -11.826 -3.972 1.00 0.22 H new ATOM 0 HB3 ASP A 57 0.636 -11.621 -3.822 1.00 0.22 H new ATOM 873 N PHE A 58 -0.114 -9.790 -7.028 1.00 0.21 N ATOM 874 CA PHE A 58 -1.412 -9.338 -7.493 1.00 0.23 C ATOM 875 C PHE A 58 -2.356 -10.508 -7.695 1.00 0.28 C ATOM 876 O PHE A 58 -3.462 -10.346 -8.211 1.00 0.35 O ATOM 877 CB PHE A 58 -1.279 -8.531 -8.780 1.00 0.27 C ATOM 878 CG PHE A 58 -0.941 -7.092 -8.539 1.00 0.26 C ATOM 879 CD1 PHE A 58 0.377 -6.676 -8.433 1.00 0.25 C ATOM 880 CD2 PHE A 58 -1.951 -6.155 -8.421 1.00 0.30 C ATOM 881 CE1 PHE A 58 0.681 -5.348 -8.213 1.00 0.27 C ATOM 882 CE2 PHE A 58 -1.653 -4.824 -8.201 1.00 0.33 C ATOM 883 CZ PHE A 58 -0.336 -4.418 -8.099 1.00 0.31 C ATOM 0 H PHE A 58 0.573 -9.937 -7.767 1.00 0.21 H new ATOM 0 HA PHE A 58 -1.833 -8.690 -6.724 1.00 0.23 H new ATOM 0 HB2 PHE A 58 -0.507 -8.980 -9.405 1.00 0.27 H new ATOM 0 HB3 PHE A 58 -2.214 -8.590 -9.337 1.00 0.27 H new ATOM 0 HD1 PHE A 58 1.174 -7.399 -8.524 1.00 0.25 H new ATOM 0 HD2 PHE A 58 -2.982 -6.466 -8.502 1.00 0.30 H new ATOM 0 HE1 PHE A 58 1.711 -5.036 -8.130 1.00 0.27 H new ATOM 0 HE2 PHE A 58 -2.450 -4.101 -8.109 1.00 0.33 H new ATOM 0 HZ PHE A 58 -0.102 -3.377 -7.931 1.00 0.31 H new ATOM 893 N SER A 59 -1.918 -11.687 -7.286 1.00 0.27 N ATOM 894 CA SER A 59 -2.787 -12.842 -7.264 1.00 0.33 C ATOM 895 C SER A 59 -3.430 -12.919 -5.890 1.00 0.33 C ATOM 896 O SER A 59 -4.325 -13.726 -5.640 1.00 0.38 O ATOM 897 CB SER A 59 -1.996 -14.107 -7.557 1.00 0.38 C ATOM 898 OG SER A 59 -0.929 -13.840 -8.454 1.00 1.29 O ATOM 0 H SER A 59 -0.966 -11.865 -6.966 1.00 0.27 H new ATOM 0 HA SER A 59 -3.556 -12.750 -8.031 1.00 0.33 H new ATOM 0 HB2 SER A 59 -1.601 -14.517 -6.628 1.00 0.38 H new ATOM 0 HB3 SER A 59 -2.655 -14.862 -7.984 1.00 0.38 H new ATOM 0 HG SER A 59 -0.196 -13.405 -7.970 1.00 1.29 H new ATOM 904 N LYS A 60 -2.966 -12.041 -5.008 1.00 0.29 N ATOM 905 CA LYS A 60 -3.491 -11.937 -3.665 1.00 0.29 C ATOM 906 C LYS A 60 -4.380 -10.719 -3.557 1.00 0.29 C ATOM 907 O LYS A 60 -3.976 -9.608 -3.905 1.00 0.30 O ATOM 908 CB LYS A 60 -2.359 -11.786 -2.641 1.00 0.31 C ATOM 909 CG LYS A 60 -1.969 -13.054 -1.884 1.00 0.46 C ATOM 910 CD LYS A 60 -1.380 -14.138 -2.781 1.00 0.97 C ATOM 911 CE LYS A 60 -2.451 -14.981 -3.458 1.00 1.43 C ATOM 912 NZ LYS A 60 -3.287 -15.728 -2.482 1.00 2.40 N ATOM 0 H LYS A 60 -2.214 -11.383 -5.211 1.00 0.29 H new ATOM 0 HA LYS A 60 -4.053 -12.848 -3.457 1.00 0.29 H new ATOM 0 HB2 LYS A 60 -1.476 -11.409 -3.157 1.00 0.31 H new ATOM 0 HB3 LYS A 60 -2.652 -11.028 -1.914 1.00 0.31 H new ATOM 0 HG2 LYS A 60 -1.244 -12.798 -1.111 1.00 0.46 H new ATOM 0 HG3 LYS A 60 -2.849 -13.451 -1.377 1.00 0.46 H new ATOM 0 HD2 LYS A 60 -0.753 -13.674 -3.542 1.00 0.97 H new ATOM 0 HD3 LYS A 60 -0.734 -14.785 -2.187 1.00 0.97 H new ATOM 0 HE2 LYS A 60 -3.090 -14.336 -4.060 1.00 1.43 H new ATOM 0 HE3 LYS A 60 -1.977 -15.686 -4.140 1.00 1.43 H new ATOM 0 HZ1 LYS A 60 -3.716 -16.551 -2.951 1.00 2.40 H new ATOM 0 HZ2 LYS A 60 -2.693 -16.050 -1.691 1.00 2.40 H new ATOM 0 HZ3 LYS A 60 -4.037 -15.106 -2.120 1.00 2.40 H new ATOM 926 N SER A 61 -5.591 -10.927 -3.089 1.00 0.33 N ATOM 927 CA SER A 61 -6.421 -9.823 -2.693 1.00 0.36 C ATOM 928 C SER A 61 -6.095 -9.493 -1.246 1.00 0.40 C ATOM 929 O SER A 61 -6.290 -10.311 -0.343 1.00 0.49 O ATOM 930 CB SER A 61 -7.893 -10.157 -2.863 1.00 0.45 C ATOM 931 OG SER A 61 -8.143 -11.531 -2.599 1.00 1.19 O ATOM 0 H SER A 61 -6.017 -11.847 -2.976 1.00 0.33 H new ATOM 0 HA SER A 61 -6.223 -8.958 -3.326 1.00 0.36 H new ATOM 0 HB2 SER A 61 -8.488 -9.541 -2.190 1.00 0.45 H new ATOM 0 HB3 SER A 61 -8.208 -9.916 -3.878 1.00 0.45 H new ATOM 0 HG SER A 61 -9.098 -11.718 -2.714 1.00 1.19 H new ATOM 937 N GLY A 62 -5.583 -8.308 -1.031 1.00 0.42 N ATOM 938 CA GLY A 62 -4.977 -8.001 0.240 1.00 0.53 C ATOM 939 C GLY A 62 -5.722 -6.951 1.021 1.00 0.36 C ATOM 940 O GLY A 62 -5.957 -5.845 0.531 1.00 0.28 O ATOM 0 H GLY A 62 -5.573 -7.547 -1.711 1.00 0.42 H new ATOM 0 HA2 GLY A 62 -4.918 -8.912 0.835 1.00 0.53 H new ATOM 0 HA3 GLY A 62 -3.954 -7.662 0.074 1.00 0.53 H new ATOM 944 N ASP A 63 -6.072 -7.295 2.251 1.00 0.39 N ATOM 945 CA ASP A 63 -6.709 -6.360 3.172 1.00 0.35 C ATOM 946 C ASP A 63 -5.657 -5.457 3.805 1.00 0.28 C ATOM 947 O ASP A 63 -5.779 -5.049 4.955 1.00 0.36 O ATOM 948 CB ASP A 63 -7.464 -7.119 4.270 1.00 0.53 C ATOM 949 CG ASP A 63 -8.590 -7.977 3.730 1.00 1.59 C ATOM 950 OD1 ASP A 63 -8.307 -9.051 3.158 1.00 2.10 O ATOM 951 OD2 ASP A 63 -9.763 -7.588 3.879 1.00 2.41 O ATOM 0 H ASP A 63 -5.924 -8.226 2.640 1.00 0.39 H new ATOM 0 HA ASP A 63 -7.419 -5.752 2.612 1.00 0.35 H new ATOM 0 HB2 ASP A 63 -6.763 -7.751 4.815 1.00 0.53 H new ATOM 0 HB3 ASP A 63 -7.871 -6.403 4.985 1.00 0.53 H new ATOM 956 N GLY A 64 -4.613 -5.166 3.048 1.00 0.19 N ATOM 957 CA GLY A 64 -3.527 -4.355 3.558 1.00 0.17 C ATOM 958 C GLY A 64 -3.383 -3.064 2.780 1.00 0.14 C ATOM 959 O GLY A 64 -2.425 -2.324 2.936 1.00 0.20 O ATOM 0 H GLY A 64 -4.497 -5.478 2.084 1.00 0.19 H new ATOM 0 HA2 GLY A 64 -3.704 -4.129 4.610 1.00 0.17 H new ATOM 0 HA3 GLY A 64 -2.595 -4.918 3.505 1.00 0.17 H new ATOM 963 N CYS A 65 -4.338 -2.803 1.921 1.00 0.16 N ATOM 964 CA CYS A 65 -4.401 -1.540 1.209 1.00 0.19 C ATOM 965 C CYS A 65 -5.239 -0.592 2.029 1.00 0.20 C ATOM 966 O CYS A 65 -5.926 -1.017 2.941 1.00 0.28 O ATOM 967 CB CYS A 65 -5.061 -1.767 -0.150 1.00 0.20 C ATOM 968 SG CYS A 65 -4.463 -3.239 -1.011 1.00 0.30 S ATOM 0 H CYS A 65 -5.091 -3.452 1.693 1.00 0.16 H new ATOM 0 HA CYS A 65 -3.404 -1.128 1.056 1.00 0.19 H new ATOM 0 HB2 CYS A 65 -6.139 -1.851 -0.011 1.00 0.20 H new ATOM 0 HB3 CYS A 65 -4.888 -0.894 -0.779 1.00 0.20 H new ATOM 0 HG CYS A 65 -5.007 -4.298 -0.489 1.00 0.30 H new ATOM 974 N VAL A 66 -5.177 0.677 1.735 1.00 0.23 N ATOM 975 CA VAL A 66 -6.109 1.610 2.323 1.00 0.20 C ATOM 976 C VAL A 66 -6.989 2.157 1.233 1.00 0.20 C ATOM 977 O VAL A 66 -6.570 2.294 0.086 1.00 0.25 O ATOM 978 CB VAL A 66 -5.409 2.751 3.087 1.00 0.20 C ATOM 979 CG1 VAL A 66 -4.219 3.243 2.310 1.00 0.20 C ATOM 980 CG2 VAL A 66 -6.352 3.905 3.377 1.00 0.20 C ATOM 0 H VAL A 66 -4.497 1.091 1.097 1.00 0.23 H new ATOM 0 HA VAL A 66 -6.707 1.078 3.063 1.00 0.20 H new ATOM 0 HB VAL A 66 -5.078 2.347 4.044 1.00 0.20 H new ATOM 0 HG11 VAL A 66 -3.733 4.049 2.860 1.00 0.20 H new ATOM 0 HG12 VAL A 66 -3.514 2.424 2.167 1.00 0.20 H new ATOM 0 HG13 VAL A 66 -4.547 3.613 1.338 1.00 0.20 H new ATOM 0 HG21 VAL A 66 -5.816 4.686 3.917 1.00 0.20 H new ATOM 0 HG22 VAL A 66 -6.733 4.308 2.439 1.00 0.20 H new ATOM 0 HG23 VAL A 66 -7.185 3.551 3.984 1.00 0.20 H new ATOM 990 N ASP A 67 -8.214 2.421 1.588 1.00 0.18 N ATOM 991 CA ASP A 67 -9.179 2.937 0.649 1.00 0.23 C ATOM 992 C ASP A 67 -9.004 4.454 0.566 1.00 0.24 C ATOM 993 O ASP A 67 -7.901 4.954 0.786 1.00 0.26 O ATOM 994 CB ASP A 67 -10.580 2.532 1.100 1.00 0.29 C ATOM 995 CG ASP A 67 -11.621 2.760 0.028 1.00 0.85 C ATOM 996 OD1 ASP A 67 -11.677 1.960 -0.922 1.00 1.49 O ATOM 997 OD2 ASP A 67 -12.396 3.733 0.141 1.00 1.04 O ATOM 0 H ASP A 67 -8.575 2.287 2.532 1.00 0.18 H new ATOM 0 HA ASP A 67 -9.029 2.525 -0.349 1.00 0.23 H new ATOM 0 HB2 ASP A 67 -10.577 1.479 1.382 1.00 0.29 H new ATOM 0 HB3 ASP A 67 -10.850 3.099 1.991 1.00 0.29 H new ATOM 1002 N ASP A 68 -10.046 5.198 0.245 1.00 0.28 N ATOM 1003 CA ASP A 68 -9.914 6.652 0.224 1.00 0.32 C ATOM 1004 C ASP A 68 -9.847 7.182 1.648 1.00 0.33 C ATOM 1005 O ASP A 68 -9.222 8.193 1.908 1.00 0.73 O ATOM 1006 CB ASP A 68 -11.027 7.352 -0.573 1.00 0.45 C ATOM 1007 CG ASP A 68 -12.426 7.094 -0.052 1.00 1.28 C ATOM 1008 OD1 ASP A 68 -12.672 7.312 1.142 1.00 2.10 O ATOM 1009 OD2 ASP A 68 -13.293 6.688 -0.855 1.00 1.41 O ATOM 0 H ASP A 68 -10.969 4.839 0.001 1.00 0.28 H new ATOM 0 HA ASP A 68 -8.985 6.884 -0.297 1.00 0.32 H new ATOM 0 HB2 ASP A 68 -10.842 8.426 -0.566 1.00 0.45 H new ATOM 0 HB3 ASP A 68 -10.973 7.026 -1.612 1.00 0.45 H new ATOM 1014 N CYS A 69 -10.468 6.478 2.573 1.00 0.32 N ATOM 1015 CA CYS A 69 -10.341 6.803 3.980 1.00 0.28 C ATOM 1016 C CYS A 69 -9.375 5.802 4.592 1.00 0.24 C ATOM 1017 O CYS A 69 -9.225 4.701 4.060 1.00 0.23 O ATOM 1018 CB CYS A 69 -11.706 6.722 4.662 1.00 0.40 C ATOM 1019 SG CYS A 69 -11.725 7.281 6.381 1.00 1.49 S ATOM 0 H CYS A 69 -11.067 5.676 2.376 1.00 0.32 H new ATOM 0 HA CYS A 69 -9.966 7.818 4.112 1.00 0.28 H new ATOM 0 HB2 CYS A 69 -12.418 7.319 4.092 1.00 0.40 H new ATOM 0 HB3 CYS A 69 -12.055 5.690 4.626 1.00 0.40 H new ATOM 0 HG CYS A 69 -12.929 7.172 6.860 1.00 1.49 H new ATOM 1025 N GLY A 70 -8.731 6.157 5.701 1.00 0.25 N ATOM 1026 CA GLY A 70 -7.700 5.289 6.245 1.00 0.25 C ATOM 1027 C GLY A 70 -8.290 4.111 6.980 1.00 0.28 C ATOM 1028 O GLY A 70 -8.243 4.030 8.207 1.00 0.36 O ATOM 0 H GLY A 70 -8.900 7.015 6.225 1.00 0.25 H new ATOM 0 HA2 GLY A 70 -7.063 4.931 5.437 1.00 0.25 H new ATOM 0 HA3 GLY A 70 -7.065 5.859 6.923 1.00 0.25 H new ATOM 1032 N SER A 71 -8.833 3.202 6.200 1.00 0.25 N ATOM 1033 CA SER A 71 -9.300 1.922 6.663 1.00 0.28 C ATOM 1034 C SER A 71 -8.828 0.885 5.662 1.00 0.25 C ATOM 1035 O SER A 71 -9.063 1.037 4.459 1.00 0.24 O ATOM 1036 CB SER A 71 -10.825 1.928 6.768 1.00 0.34 C ATOM 1037 OG SER A 71 -11.266 2.923 7.677 1.00 1.10 O ATOM 0 H SER A 71 -8.964 3.341 5.198 1.00 0.25 H new ATOM 0 HA SER A 71 -8.907 1.694 7.654 1.00 0.28 H new ATOM 0 HB2 SER A 71 -11.260 2.109 5.785 1.00 0.34 H new ATOM 0 HB3 SER A 71 -11.175 0.949 7.096 1.00 0.34 H new ATOM 0 HG SER A 71 -12.245 2.910 7.727 1.00 1.10 H new ATOM 1043 N MET A 72 -8.129 -0.132 6.135 1.00 0.32 N ATOM 1044 CA MET A 72 -7.519 -1.095 5.239 1.00 0.30 C ATOM 1045 C MET A 72 -8.557 -1.818 4.385 1.00 0.30 C ATOM 1046 O MET A 72 -9.404 -2.558 4.883 1.00 0.46 O ATOM 1047 CB MET A 72 -6.633 -2.069 5.990 1.00 0.36 C ATOM 1048 CG MET A 72 -7.324 -2.654 7.176 1.00 0.85 C ATOM 1049 SD MET A 72 -6.480 -4.091 7.868 1.00 1.03 S ATOM 1050 CE MET A 72 -7.562 -4.484 9.237 1.00 1.68 C ATOM 0 H MET A 72 -7.971 -0.311 7.127 1.00 0.32 H new ATOM 0 HA MET A 72 -6.881 -0.536 4.554 1.00 0.30 H new ATOM 0 HB2 MET A 72 -6.325 -2.870 5.318 1.00 0.36 H new ATOM 0 HB3 MET A 72 -5.726 -1.558 6.314 1.00 0.36 H new ATOM 0 HG2 MET A 72 -7.414 -1.889 7.948 1.00 0.85 H new ATOM 0 HG3 MET A 72 -8.337 -2.940 6.892 1.00 0.85 H new ATOM 0 HE1 MET A 72 -7.176 -5.354 9.768 1.00 1.68 H new ATOM 0 HE2 MET A 72 -7.610 -3.635 9.918 1.00 1.68 H new ATOM 0 HE3 MET A 72 -8.561 -4.703 8.860 1.00 1.68 H new ATOM 1060 N THR A 73 -8.480 -1.562 3.088 1.00 0.21 N ATOM 1061 CA THR A 73 -9.404 -2.113 2.122 1.00 0.19 C ATOM 1062 C THR A 73 -8.776 -3.323 1.443 1.00 0.18 C ATOM 1063 O THR A 73 -7.551 -3.414 1.319 1.00 0.19 O ATOM 1064 CB THR A 73 -9.809 -1.057 1.067 1.00 0.21 C ATOM 1065 OG1 THR A 73 -10.890 -1.551 0.268 1.00 0.26 O ATOM 1066 CG2 THR A 73 -8.638 -0.684 0.164 1.00 0.22 C ATOM 0 H THR A 73 -7.766 -0.960 2.678 1.00 0.21 H new ATOM 0 HA THR A 73 -10.307 -2.421 2.648 1.00 0.19 H new ATOM 0 HB THR A 73 -10.123 -0.161 1.602 1.00 0.21 H new ATOM 0 HG1 THR A 73 -11.141 -0.876 -0.396 1.00 0.26 H new ATOM 0 HG21 THR A 73 -8.962 0.060 -0.564 1.00 0.22 H new ATOM 0 HG22 THR A 73 -7.829 -0.272 0.768 1.00 0.22 H new ATOM 0 HG23 THR A 73 -8.284 -1.573 -0.359 1.00 0.22 H new ATOM 1074 N SER A 74 -9.608 -4.257 1.023 1.00 0.27 N ATOM 1075 CA SER A 74 -9.123 -5.469 0.405 1.00 0.30 C ATOM 1076 C SER A 74 -8.942 -5.266 -1.094 1.00 0.35 C ATOM 1077 O SER A 74 -9.910 -5.268 -1.852 1.00 0.47 O ATOM 1078 CB SER A 74 -10.105 -6.592 0.656 1.00 0.37 C ATOM 1079 OG SER A 74 -10.826 -6.382 1.860 1.00 1.25 O ATOM 0 H SER A 74 -10.623 -4.196 1.100 1.00 0.27 H new ATOM 0 HA SER A 74 -8.157 -5.726 0.840 1.00 0.30 H new ATOM 0 HB2 SER A 74 -10.801 -6.664 -0.180 1.00 0.37 H new ATOM 0 HB3 SER A 74 -9.571 -7.541 0.709 1.00 0.37 H new ATOM 0 HG SER A 74 -10.527 -7.025 2.537 1.00 1.25 H new ATOM 1085 N CYS A 75 -7.707 -5.095 -1.513 1.00 0.30 N ATOM 1086 CA CYS A 75 -7.394 -4.824 -2.911 1.00 0.35 C ATOM 1087 C CYS A 75 -6.187 -5.652 -3.342 1.00 0.33 C ATOM 1088 O CYS A 75 -5.381 -6.052 -2.506 1.00 0.43 O ATOM 1089 CB CYS A 75 -7.141 -3.331 -3.098 1.00 0.39 C ATOM 1090 SG CYS A 75 -8.563 -2.292 -2.690 1.00 1.40 S ATOM 0 H CYS A 75 -6.891 -5.138 -0.903 1.00 0.30 H new ATOM 0 HA CYS A 75 -8.237 -5.108 -3.540 1.00 0.35 H new ATOM 0 HB2 CYS A 75 -6.296 -3.035 -2.476 1.00 0.39 H new ATOM 0 HB3 CYS A 75 -6.854 -3.148 -4.134 1.00 0.39 H new ATOM 0 HG CYS A 75 -8.255 -1.043 -2.876 1.00 1.40 H new ATOM 1096 N ARG A 76 -6.079 -5.930 -4.634 1.00 0.27 N ATOM 1097 CA ARG A 76 -5.046 -6.836 -5.128 1.00 0.26 C ATOM 1098 C ARG A 76 -3.684 -6.179 -5.201 1.00 0.22 C ATOM 1099 O ARG A 76 -3.497 -5.173 -5.879 1.00 0.25 O ATOM 1100 CB ARG A 76 -5.403 -7.414 -6.489 1.00 0.33 C ATOM 1101 CG ARG A 76 -6.350 -8.580 -6.390 1.00 0.39 C ATOM 1102 CD ARG A 76 -7.769 -8.095 -6.258 1.00 0.79 C ATOM 1103 NE ARG A 76 -8.610 -8.537 -7.370 1.00 1.01 N ATOM 1104 CZ ARG A 76 -9.481 -7.758 -8.019 1.00 1.61 C ATOM 1105 NH1 ARG A 76 -9.619 -6.480 -7.690 1.00 2.21 N ATOM 1106 NH2 ARG A 76 -10.206 -8.261 -9.010 1.00 1.87 N ATOM 0 H ARG A 76 -6.688 -5.545 -5.356 1.00 0.27 H new ATOM 0 HA ARG A 76 -4.995 -7.647 -4.401 1.00 0.26 H new ATOM 0 HB2 ARG A 76 -5.854 -6.635 -7.104 1.00 0.33 H new ATOM 0 HB3 ARG A 76 -4.492 -7.732 -6.995 1.00 0.33 H new ATOM 0 HG2 ARG A 76 -6.255 -9.210 -7.275 1.00 0.39 H new ATOM 0 HG3 ARG A 76 -6.089 -9.197 -5.530 1.00 0.39 H new ATOM 0 HD2 ARG A 76 -8.189 -8.458 -5.320 1.00 0.79 H new ATOM 0 HD3 ARG A 76 -7.776 -7.006 -6.210 1.00 0.79 H new ATOM 0 HE ARG A 76 -8.526 -9.508 -7.671 1.00 1.01 H new ATOM 0 HH11 ARG A 76 -9.058 -6.084 -6.936 1.00 2.21 H new ATOM 0 HH12 ARG A 76 -10.286 -5.894 -8.191 1.00 2.21 H new ATOM 0 HH21 ARG A 76 -10.098 -9.240 -9.275 1.00 1.87 H new ATOM 0 HH22 ARG A 76 -10.871 -7.669 -9.507 1.00 1.87 H new ATOM 1120 N GLY A 77 -2.752 -6.739 -4.453 1.00 0.19 N ATOM 1121 CA GLY A 77 -1.377 -6.315 -4.522 1.00 0.19 C ATOM 1122 C GLY A 77 -0.707 -6.495 -3.196 1.00 0.24 C ATOM 1123 O GLY A 77 -0.440 -5.532 -2.507 1.00 0.59 O ATOM 0 H GLY A 77 -2.929 -7.492 -3.789 1.00 0.19 H new ATOM 0 HA2 GLY A 77 -0.850 -6.890 -5.283 1.00 0.19 H new ATOM 0 HA3 GLY A 77 -1.327 -5.268 -4.822 1.00 0.19 H new ATOM 1127 N SER A 78 -0.424 -7.713 -2.834 1.00 0.20 N ATOM 1128 CA SER A 78 0.013 -7.989 -1.480 1.00 0.17 C ATOM 1129 C SER A 78 1.163 -8.954 -1.420 1.00 0.20 C ATOM 1130 O SER A 78 1.266 -9.876 -2.215 1.00 0.26 O ATOM 1131 CB SER A 78 -1.166 -8.524 -0.677 1.00 0.20 C ATOM 1132 OG SER A 78 -1.892 -7.473 -0.060 1.00 0.73 O ATOM 0 H SER A 78 -0.484 -8.529 -3.444 1.00 0.20 H new ATOM 0 HA SER A 78 0.374 -7.054 -1.052 1.00 0.17 H new ATOM 0 HB2 SER A 78 -1.828 -9.089 -1.333 1.00 0.20 H new ATOM 0 HB3 SER A 78 -0.806 -9.215 0.085 1.00 0.20 H new ATOM 0 HG SER A 78 -1.434 -7.198 0.762 1.00 0.73 H new ATOM 1138 N VAL A 79 2.021 -8.717 -0.447 1.00 0.18 N ATOM 1139 CA VAL A 79 3.215 -9.506 -0.260 1.00 0.20 C ATOM 1140 C VAL A 79 2.860 -10.923 0.175 1.00 0.27 C ATOM 1141 O VAL A 79 2.521 -11.162 1.339 1.00 0.33 O ATOM 1142 CB VAL A 79 4.137 -8.844 0.777 1.00 0.23 C ATOM 1143 CG1 VAL A 79 5.440 -9.611 0.949 1.00 0.31 C ATOM 1144 CG2 VAL A 79 4.408 -7.404 0.381 1.00 0.25 C ATOM 0 H VAL A 79 1.906 -7.969 0.236 1.00 0.18 H new ATOM 0 HA VAL A 79 3.743 -9.561 -1.212 1.00 0.20 H new ATOM 0 HB VAL A 79 3.627 -8.861 1.740 1.00 0.23 H new ATOM 0 HG11 VAL A 79 6.062 -9.110 1.690 1.00 0.31 H new ATOM 0 HG12 VAL A 79 5.224 -10.626 1.283 1.00 0.31 H new ATOM 0 HG13 VAL A 79 5.969 -9.648 -0.003 1.00 0.31 H new ATOM 0 HG21 VAL A 79 5.062 -6.940 1.120 1.00 0.25 H new ATOM 0 HG22 VAL A 79 4.890 -7.380 -0.596 1.00 0.25 H new ATOM 0 HG23 VAL A 79 3.467 -6.856 0.335 1.00 0.25 H new ATOM 1154 N SER A 80 2.909 -11.849 -0.774 1.00 0.33 N ATOM 1155 CA SER A 80 2.597 -13.239 -0.504 1.00 0.41 C ATOM 1156 C SER A 80 3.743 -13.898 0.252 1.00 0.43 C ATOM 1157 O SER A 80 3.594 -14.311 1.406 1.00 0.97 O ATOM 1158 CB SER A 80 2.316 -13.975 -1.815 1.00 0.48 C ATOM 1159 OG SER A 80 3.334 -13.726 -2.772 1.00 0.96 O ATOM 0 H SER A 80 3.164 -11.657 -1.743 1.00 0.33 H new ATOM 0 HA SER A 80 1.704 -13.290 0.119 1.00 0.41 H new ATOM 0 HB2 SER A 80 2.245 -15.046 -1.626 1.00 0.48 H new ATOM 0 HB3 SER A 80 1.353 -13.658 -2.214 1.00 0.48 H new ATOM 0 HG SER A 80 2.971 -13.845 -3.674 1.00 0.96 H new ATOM 1165 N GLY A 81 4.892 -13.983 -0.405 1.00 0.56 N ATOM 1166 CA GLY A 81 6.084 -14.487 0.238 1.00 0.58 C ATOM 1167 C GLY A 81 6.823 -13.390 0.955 1.00 0.56 C ATOM 1168 O GLY A 81 6.224 -12.427 1.423 1.00 0.86 O ATOM 0 H GLY A 81 5.017 -13.709 -1.379 1.00 0.56 H new ATOM 0 HA2 GLY A 81 5.814 -15.270 0.946 1.00 0.58 H new ATOM 0 HA3 GLY A 81 6.737 -14.942 -0.507 1.00 0.58 H new ATOM 1172 N PRO A 82 8.129 -13.539 1.083 1.00 0.46 N ATOM 1173 CA PRO A 82 9.003 -12.483 1.584 1.00 0.41 C ATOM 1174 C PRO A 82 9.193 -11.342 0.593 1.00 0.41 C ATOM 1175 O PRO A 82 9.565 -11.563 -0.561 1.00 0.57 O ATOM 1176 CB PRO A 82 10.322 -13.194 1.791 1.00 0.48 C ATOM 1177 CG PRO A 82 10.283 -14.336 0.841 1.00 0.61 C ATOM 1178 CD PRO A 82 8.861 -14.776 0.793 1.00 0.70 C ATOM 0 HA PRO A 82 8.588 -12.019 2.479 1.00 0.41 H new ATOM 0 HB2 PRO A 82 11.165 -12.535 1.584 1.00 0.48 H new ATOM 0 HB3 PRO A 82 10.431 -13.537 2.820 1.00 0.48 H new ATOM 0 HG2 PRO A 82 10.633 -14.035 -0.147 1.00 0.61 H new ATOM 0 HG3 PRO A 82 10.932 -15.145 1.176 1.00 0.61 H new ATOM 0 HD2 PRO A 82 8.596 -15.184 -0.183 1.00 0.70 H new ATOM 0 HD3 PRO A 82 8.652 -15.552 1.530 1.00 0.70 H new ATOM 1186 N SER A 83 8.945 -10.124 1.039 1.00 0.36 N ATOM 1187 CA SER A 83 9.278 -8.965 0.240 1.00 0.37 C ATOM 1188 C SER A 83 10.677 -8.495 0.603 1.00 0.35 C ATOM 1189 O SER A 83 11.017 -8.374 1.780 1.00 0.45 O ATOM 1190 CB SER A 83 8.258 -7.845 0.443 1.00 0.44 C ATOM 1191 OG SER A 83 8.138 -7.476 1.802 1.00 1.45 O ATOM 0 H SER A 83 8.518 -9.915 1.942 1.00 0.36 H new ATOM 0 HA SER A 83 9.252 -9.240 -0.814 1.00 0.37 H new ATOM 0 HB2 SER A 83 8.554 -6.975 -0.144 1.00 0.44 H new ATOM 0 HB3 SER A 83 7.287 -8.167 0.068 1.00 0.44 H new ATOM 0 HG SER A 83 7.721 -6.591 1.865 1.00 1.45 H new ATOM 1197 N THR A 84 11.497 -8.258 -0.398 1.00 0.33 N ATOM 1198 CA THR A 84 12.871 -7.878 -0.163 1.00 0.34 C ATOM 1199 C THR A 84 13.056 -6.404 -0.453 1.00 0.23 C ATOM 1200 O THR A 84 13.548 -5.651 0.388 1.00 0.21 O ATOM 1201 CB THR A 84 13.820 -8.693 -1.042 1.00 0.46 C ATOM 1202 OG1 THR A 84 13.201 -9.942 -1.391 1.00 0.91 O ATOM 1203 CG2 THR A 84 15.119 -8.961 -0.305 1.00 0.67 C ATOM 0 H THR A 84 11.235 -8.322 -1.382 1.00 0.33 H new ATOM 0 HA THR A 84 13.105 -8.078 0.883 1.00 0.34 H new ATOM 0 HB THR A 84 14.036 -8.126 -1.947 1.00 0.46 H new ATOM 0 HG1 THR A 84 13.810 -10.462 -1.956 1.00 0.91 H new ATOM 0 HG21 THR A 84 15.786 -9.542 -0.942 1.00 0.67 H new ATOM 0 HG22 THR A 84 15.595 -8.014 -0.050 1.00 0.67 H new ATOM 0 HG23 THR A 84 14.911 -9.520 0.608 1.00 0.67 H new ATOM 1211 N SER A 85 12.632 -5.999 -1.635 1.00 0.21 N ATOM 1212 CA SER A 85 12.687 -4.608 -2.035 1.00 0.25 C ATOM 1213 C SER A 85 11.576 -3.833 -1.335 1.00 0.29 C ATOM 1214 O SER A 85 10.494 -3.633 -1.894 1.00 0.61 O ATOM 1215 CB SER A 85 12.556 -4.517 -3.560 1.00 0.50 C ATOM 1216 OG SER A 85 13.531 -5.340 -4.185 1.00 1.76 O ATOM 0 H SER A 85 12.242 -6.623 -2.341 1.00 0.21 H new ATOM 0 HA SER A 85 13.641 -4.168 -1.745 1.00 0.25 H new ATOM 0 HB2 SER A 85 11.557 -4.828 -3.866 1.00 0.50 H new ATOM 0 HB3 SER A 85 12.681 -3.483 -3.882 1.00 0.50 H new ATOM 0 HG SER A 85 13.295 -5.468 -5.128 1.00 1.76 H new ATOM 1222 N HIS A 86 11.840 -3.405 -0.101 1.00 0.19 N ATOM 1223 CA HIS A 86 10.811 -2.788 0.713 1.00 0.20 C ATOM 1224 C HIS A 86 11.390 -1.833 1.760 1.00 0.20 C ATOM 1225 O HIS A 86 12.544 -1.962 2.165 1.00 0.25 O ATOM 1226 CB HIS A 86 9.963 -3.866 1.392 1.00 0.26 C ATOM 1227 CG HIS A 86 10.609 -4.557 2.565 1.00 0.27 C ATOM 1228 ND1 HIS A 86 11.702 -5.392 2.458 1.00 0.29 N ATOM 1229 CD2 HIS A 86 10.288 -4.535 3.881 1.00 0.50 C ATOM 1230 CE1 HIS A 86 12.016 -5.860 3.653 1.00 0.30 C ATOM 1231 NE2 HIS A 86 11.177 -5.352 4.535 1.00 0.44 N ATOM 0 H HIS A 86 12.753 -3.476 0.348 1.00 0.19 H new ATOM 0 HA HIS A 86 10.184 -2.194 0.048 1.00 0.20 H new ATOM 0 HB2 HIS A 86 9.031 -3.412 1.729 1.00 0.26 H new ATOM 0 HB3 HIS A 86 9.701 -4.619 0.649 1.00 0.26 H new ATOM 0 HD1 HIS A 86 12.192 -5.614 1.591 1.00 0.29 H new ATOM 0 HD2 HIS A 86 9.481 -3.977 4.333 1.00 0.50 H new ATOM 0 HE1 HIS A 86 12.823 -6.543 3.871 1.00 0.30 H new ATOM 1240 N LEU A 87 10.554 -0.900 2.201 1.00 0.19 N ATOM 1241 CA LEU A 87 10.942 0.129 3.169 1.00 0.19 C ATOM 1242 C LEU A 87 9.875 0.271 4.240 1.00 0.18 C ATOM 1243 O LEU A 87 8.737 0.616 3.934 1.00 0.18 O ATOM 1244 CB LEU A 87 11.107 1.474 2.456 1.00 0.21 C ATOM 1245 CG LEU A 87 12.273 1.543 1.468 1.00 0.23 C ATOM 1246 CD1 LEU A 87 12.051 2.655 0.457 1.00 0.38 C ATOM 1247 CD2 LEU A 87 13.588 1.739 2.203 1.00 0.58 C ATOM 0 H LEU A 87 9.582 -0.833 1.898 1.00 0.19 H new ATOM 0 HA LEU A 87 11.884 -0.166 3.630 1.00 0.19 H new ATOM 0 HB2 LEU A 87 10.184 1.701 1.922 1.00 0.21 H new ATOM 0 HB3 LEU A 87 11.240 2.252 3.207 1.00 0.21 H new ATOM 0 HG LEU A 87 12.323 0.597 0.930 1.00 0.23 H new ATOM 0 HD11 LEU A 87 12.891 2.689 -0.237 1.00 0.38 H new ATOM 0 HD12 LEU A 87 11.131 2.466 -0.096 1.00 0.38 H new ATOM 0 HD13 LEU A 87 11.972 3.609 0.977 1.00 0.38 H new ATOM 0 HD21 LEU A 87 14.404 1.785 1.482 1.00 0.58 H new ATOM 0 HD22 LEU A 87 13.552 2.669 2.771 1.00 0.58 H new ATOM 0 HD23 LEU A 87 13.752 0.904 2.884 1.00 0.58 H new ATOM 1259 N THR A 88 10.226 0.010 5.486 1.00 0.17 N ATOM 1260 CA THR A 88 9.272 0.160 6.567 1.00 0.15 C ATOM 1261 C THR A 88 9.114 1.619 6.945 1.00 0.18 C ATOM 1262 O THR A 88 9.882 2.152 7.742 1.00 0.22 O ATOM 1263 CB THR A 88 9.679 -0.631 7.816 1.00 0.17 C ATOM 1264 OG1 THR A 88 10.108 -1.947 7.446 1.00 0.21 O ATOM 1265 CG2 THR A 88 8.524 -0.725 8.795 1.00 0.18 C ATOM 0 H THR A 88 11.154 -0.303 5.772 1.00 0.17 H new ATOM 0 HA THR A 88 8.326 -0.237 6.199 1.00 0.15 H new ATOM 0 HB THR A 88 10.502 -0.105 8.300 1.00 0.17 H new ATOM 0 HG1 THR A 88 10.368 -2.444 8.249 1.00 0.21 H new ATOM 0 HG21 THR A 88 8.836 -1.290 9.673 1.00 0.18 H new ATOM 0 HG22 THR A 88 8.221 0.277 9.098 1.00 0.18 H new ATOM 0 HG23 THR A 88 7.683 -1.230 8.319 1.00 0.18 H new ATOM 1273 N ARG A 89 8.129 2.275 6.352 1.00 0.19 N ATOM 1274 CA ARG A 89 7.773 3.611 6.780 1.00 0.25 C ATOM 1275 C ARG A 89 6.281 3.643 7.117 1.00 0.20 C ATOM 1276 O ARG A 89 5.513 4.370 6.497 1.00 0.24 O ATOM 1277 CB ARG A 89 8.065 4.593 5.638 1.00 0.38 C ATOM 1278 CG ARG A 89 9.390 4.361 4.932 1.00 0.33 C ATOM 1279 CD ARG A 89 10.545 5.031 5.654 1.00 1.12 C ATOM 1280 NE ARG A 89 11.786 5.002 4.876 1.00 1.99 N ATOM 1281 CZ ARG A 89 12.927 5.565 5.281 1.00 2.70 C ATOM 1282 NH1 ARG A 89 12.997 6.139 6.476 1.00 2.77 N ATOM 1283 NH2 ARG A 89 13.999 5.548 4.496 1.00 3.65 N ATOM 0 H ARG A 89 7.570 1.907 5.582 1.00 0.19 H new ATOM 0 HA ARG A 89 8.351 3.892 7.660 1.00 0.25 H new ATOM 0 HB2 ARG A 89 7.261 4.528 4.905 1.00 0.38 H new ATOM 0 HB3 ARG A 89 8.052 5.608 6.036 1.00 0.38 H new ATOM 0 HG2 ARG A 89 9.580 3.290 4.860 1.00 0.33 H new ATOM 0 HG3 ARG A 89 9.329 4.743 3.913 1.00 0.33 H new ATOM 0 HD2 ARG A 89 10.281 6.066 5.873 1.00 1.12 H new ATOM 0 HD3 ARG A 89 10.708 4.535 6.611 1.00 1.12 H new ATOM 0 HE ARG A 89 11.778 4.525 3.974 1.00 1.99 H new ATOM 0 HH11 ARG A 89 12.179 6.150 7.085 1.00 2.77 H new ATOM 0 HH12 ARG A 89 13.869 6.569 6.785 1.00 2.77 H new ATOM 0 HH21 ARG A 89 13.953 5.103 3.579 1.00 3.65 H new ATOM 0 HH22 ARG A 89 14.868 5.980 4.810 1.00 3.65 H new ATOM 1297 N PRO A 90 5.869 2.919 8.166 1.00 0.15 N ATOM 1298 CA PRO A 90 4.456 2.777 8.507 1.00 0.14 C ATOM 1299 C PRO A 90 3.876 4.023 9.152 1.00 0.16 C ATOM 1300 O PRO A 90 2.722 4.378 8.908 1.00 0.25 O ATOM 1301 CB PRO A 90 4.422 1.578 9.463 1.00 0.13 C ATOM 1302 CG PRO A 90 5.803 1.013 9.481 1.00 0.14 C ATOM 1303 CD PRO A 90 6.720 2.108 9.036 1.00 0.15 C ATOM 0 HA PRO A 90 3.842 2.628 7.619 1.00 0.14 H new ATOM 0 HB2 PRO A 90 4.116 1.887 10.462 1.00 0.13 H new ATOM 0 HB3 PRO A 90 3.702 0.833 9.125 1.00 0.13 H new ATOM 0 HG2 PRO A 90 6.068 0.669 10.481 1.00 0.14 H new ATOM 0 HG3 PRO A 90 5.878 0.152 8.817 1.00 0.14 H new ATOM 0 HD2 PRO A 90 7.099 2.684 9.880 1.00 0.15 H new ATOM 0 HD3 PRO A 90 7.586 1.717 8.502 1.00 0.15 H new ATOM 1311 N SER A 91 4.685 4.700 9.948 1.00 0.16 N ATOM 1312 CA SER A 91 4.262 5.938 10.578 1.00 0.18 C ATOM 1313 C SER A 91 4.084 7.028 9.522 1.00 0.21 C ATOM 1314 O SER A 91 3.331 7.984 9.711 1.00 0.33 O ATOM 1315 CB SER A 91 5.302 6.370 11.616 1.00 0.27 C ATOM 1316 OG SER A 91 4.813 7.422 12.432 1.00 1.21 O ATOM 0 H SER A 91 5.638 4.414 10.173 1.00 0.16 H new ATOM 0 HA SER A 91 3.307 5.778 11.078 1.00 0.18 H new ATOM 0 HB2 SER A 91 5.571 5.518 12.240 1.00 0.27 H new ATOM 0 HB3 SER A 91 6.211 6.693 11.109 1.00 0.27 H new ATOM 0 HG SER A 91 5.498 7.675 13.085 1.00 1.21 H new ATOM 1322 N GLU A 92 4.780 6.863 8.403 1.00 0.17 N ATOM 1323 CA GLU A 92 4.789 7.864 7.349 1.00 0.20 C ATOM 1324 C GLU A 92 3.694 7.586 6.310 1.00 0.21 C ATOM 1325 O GLU A 92 3.110 8.516 5.757 1.00 0.33 O ATOM 1326 CB GLU A 92 6.174 7.907 6.704 1.00 0.30 C ATOM 1327 CG GLU A 92 6.413 9.103 5.802 1.00 0.99 C ATOM 1328 CD GLU A 92 6.131 10.432 6.461 1.00 1.98 C ATOM 1329 OE1 GLU A 92 6.760 10.729 7.493 1.00 2.37 O ATOM 1330 OE2 GLU A 92 5.311 11.204 5.918 1.00 2.78 O ATOM 0 H GLU A 92 5.348 6.039 8.204 1.00 0.17 H new ATOM 0 HA GLU A 92 4.573 8.840 7.783 1.00 0.20 H new ATOM 0 HB2 GLU A 92 6.927 7.906 7.492 1.00 0.30 H new ATOM 0 HB3 GLU A 92 6.319 6.996 6.123 1.00 0.30 H new ATOM 0 HG2 GLU A 92 7.449 9.089 5.463 1.00 0.99 H new ATOM 0 HG3 GLU A 92 5.786 9.008 4.915 1.00 0.99 H new ATOM 1337 N LEU A 93 3.412 6.310 6.044 1.00 0.17 N ATOM 1338 CA LEU A 93 2.303 5.949 5.158 1.00 0.18 C ATOM 1339 C LEU A 93 0.968 6.356 5.783 1.00 0.17 C ATOM 1340 O LEU A 93 0.180 7.079 5.182 1.00 0.19 O ATOM 1341 CB LEU A 93 2.287 4.444 4.859 1.00 0.19 C ATOM 1342 CG LEU A 93 3.056 3.975 3.614 1.00 0.21 C ATOM 1343 CD1 LEU A 93 2.666 4.794 2.400 1.00 0.15 C ATOM 1344 CD2 LEU A 93 4.558 4.035 3.816 1.00 0.33 C ATOM 0 H LEU A 93 3.929 5.517 6.424 1.00 0.17 H new ATOM 0 HA LEU A 93 2.448 6.485 4.220 1.00 0.18 H new ATOM 0 HB2 LEU A 93 2.693 3.922 5.725 1.00 0.19 H new ATOM 0 HB3 LEU A 93 1.249 4.130 4.755 1.00 0.19 H new ATOM 0 HG LEU A 93 2.782 2.933 3.447 1.00 0.21 H new ATOM 0 HD11 LEU A 93 3.223 4.444 1.531 1.00 0.15 H new ATOM 0 HD12 LEU A 93 1.598 4.684 2.215 1.00 0.15 H new ATOM 0 HD13 LEU A 93 2.897 5.844 2.580 1.00 0.15 H new ATOM 0 HD21 LEU A 93 5.061 3.695 2.911 1.00 0.33 H new ATOM 0 HD22 LEU A 93 4.855 5.061 4.032 1.00 0.33 H new ATOM 0 HD23 LEU A 93 4.839 3.392 4.650 1.00 0.33 H new ATOM 1356 N GLN A 94 0.752 5.939 7.018 1.00 0.16 N ATOM 1357 CA GLN A 94 -0.508 6.196 7.714 1.00 0.18 C ATOM 1358 C GLN A 94 -0.659 7.700 7.937 1.00 0.18 C ATOM 1359 O GLN A 94 -1.746 8.202 8.219 1.00 0.20 O ATOM 1360 CB GLN A 94 -0.507 5.438 9.039 1.00 0.17 C ATOM 1361 CG GLN A 94 -1.878 5.189 9.666 1.00 0.36 C ATOM 1362 CD GLN A 94 -2.831 4.361 8.821 1.00 0.67 C ATOM 1363 OE1 GLN A 94 -2.802 3.133 8.867 1.00 1.81 O ATOM 1364 NE2 GLN A 94 -3.736 5.010 8.104 1.00 0.34 N ATOM 0 H GLN A 94 1.435 5.417 7.567 1.00 0.16 H new ATOM 0 HA GLN A 94 -1.353 5.851 7.119 1.00 0.18 H new ATOM 0 HB2 GLN A 94 -0.019 4.475 8.884 1.00 0.17 H new ATOM 0 HB3 GLN A 94 0.102 5.993 9.753 1.00 0.17 H new ATOM 0 HG2 GLN A 94 -1.737 4.688 10.624 1.00 0.36 H new ATOM 0 HG3 GLN A 94 -2.345 6.151 9.875 1.00 0.36 H new ATOM 0 HE21 GLN A 94 -3.736 6.030 8.085 1.00 0.34 H new ATOM 0 HE22 GLN A 94 -4.433 4.490 7.571 1.00 0.34 H new ATOM 1373 N ALA A 95 0.454 8.404 7.765 1.00 0.18 N ATOM 1374 CA ALA A 95 0.512 9.844 7.914 1.00 0.19 C ATOM 1375 C ALA A 95 -0.140 10.543 6.742 1.00 0.15 C ATOM 1376 O ALA A 95 -0.955 11.427 6.930 1.00 0.18 O ATOM 1377 CB ALA A 95 1.942 10.296 8.007 1.00 0.21 C ATOM 0 H ALA A 95 1.348 7.982 7.516 1.00 0.18 H new ATOM 0 HA ALA A 95 -0.025 10.102 8.826 1.00 0.19 H new ATOM 0 HB1 ALA A 95 1.974 11.380 8.119 1.00 0.21 H new ATOM 0 HB2 ALA A 95 2.416 9.828 8.870 1.00 0.21 H new ATOM 0 HB3 ALA A 95 2.474 10.009 7.100 1.00 0.21 H new ATOM 1383 N VAL A 96 0.233 10.147 5.528 1.00 0.11 N ATOM 1384 CA VAL A 96 -0.353 10.726 4.337 1.00 0.12 C ATOM 1385 C VAL A 96 -1.769 10.224 4.208 1.00 0.11 C ATOM 1386 O VAL A 96 -2.604 10.865 3.612 1.00 0.11 O ATOM 1387 CB VAL A 96 0.452 10.446 3.033 1.00 0.14 C ATOM 1388 CG1 VAL A 96 1.492 9.370 3.246 1.00 0.19 C ATOM 1389 CG2 VAL A 96 -0.468 10.048 1.888 1.00 0.16 C ATOM 0 H VAL A 96 0.936 9.430 5.350 1.00 0.11 H new ATOM 0 HA VAL A 96 -0.332 11.809 4.456 1.00 0.12 H new ATOM 0 HB VAL A 96 0.959 11.374 2.769 1.00 0.14 H new ATOM 0 HG11 VAL A 96 2.035 9.200 2.316 1.00 0.19 H new ATOM 0 HG12 VAL A 96 2.190 9.687 4.021 1.00 0.19 H new ATOM 0 HG13 VAL A 96 1.002 8.446 3.554 1.00 0.19 H new ATOM 0 HG21 VAL A 96 0.125 9.860 0.993 1.00 0.16 H new ATOM 0 HG22 VAL A 96 -1.015 9.144 2.158 1.00 0.16 H new ATOM 0 HG23 VAL A 96 -1.175 10.854 1.692 1.00 0.16 H new ATOM 1399 N ILE A 97 -2.045 9.082 4.801 1.00 0.11 N ATOM 1400 CA ILE A 97 -3.407 8.660 4.938 1.00 0.11 C ATOM 1401 C ILE A 97 -4.145 9.730 5.706 1.00 0.12 C ATOM 1402 O ILE A 97 -5.041 10.368 5.190 1.00 0.13 O ATOM 1403 CB ILE A 97 -3.497 7.313 5.657 1.00 0.11 C ATOM 1404 CG1 ILE A 97 -3.228 6.187 4.668 1.00 0.12 C ATOM 1405 CG2 ILE A 97 -4.853 7.140 6.309 1.00 0.12 C ATOM 1406 CD1 ILE A 97 -2.548 5.001 5.291 1.00 0.16 C ATOM 0 H ILE A 97 -1.350 8.443 5.188 1.00 0.11 H new ATOM 0 HA ILE A 97 -3.856 8.523 3.954 1.00 0.11 H new ATOM 0 HB ILE A 97 -2.743 7.282 6.444 1.00 0.11 H new ATOM 0 HG12 ILE A 97 -4.172 5.866 4.227 1.00 0.12 H new ATOM 0 HG13 ILE A 97 -2.609 6.567 3.855 1.00 0.12 H new ATOM 0 HG21 ILE A 97 -4.893 6.175 6.814 1.00 0.12 H new ATOM 0 HG22 ILE A 97 -5.012 7.937 7.036 1.00 0.12 H new ATOM 0 HG23 ILE A 97 -5.631 7.184 5.547 1.00 0.12 H new ATOM 0 HD11 ILE A 97 -2.385 4.235 4.533 1.00 0.16 H new ATOM 0 HD12 ILE A 97 -1.589 5.309 5.707 1.00 0.16 H new ATOM 0 HD13 ILE A 97 -3.176 4.598 6.086 1.00 0.16 H new ATOM 1418 N ASP A 98 -3.692 9.966 6.918 1.00 0.14 N ATOM 1419 CA ASP A 98 -4.260 10.998 7.770 1.00 0.17 C ATOM 1420 C ASP A 98 -4.209 12.385 7.121 1.00 0.17 C ATOM 1421 O ASP A 98 -5.154 13.166 7.232 1.00 0.20 O ATOM 1422 CB ASP A 98 -3.531 11.001 9.102 1.00 0.21 C ATOM 1423 CG ASP A 98 -4.170 10.051 10.093 1.00 0.67 C ATOM 1424 OD1 ASP A 98 -4.620 8.961 9.677 1.00 1.03 O ATOM 1425 OD2 ASP A 98 -4.211 10.380 11.296 1.00 0.98 O ATOM 0 H ASP A 98 -2.921 9.451 7.344 1.00 0.14 H new ATOM 0 HA ASP A 98 -5.314 10.768 7.924 1.00 0.17 H new ATOM 0 HB2 ASP A 98 -2.490 10.719 8.947 1.00 0.21 H new ATOM 0 HB3 ASP A 98 -3.530 12.010 9.514 1.00 0.21 H new ATOM 1430 N SER A 99 -3.117 12.675 6.432 1.00 0.15 N ATOM 1431 CA SER A 99 -2.926 13.966 5.790 1.00 0.16 C ATOM 1432 C SER A 99 -3.772 14.088 4.525 1.00 0.16 C ATOM 1433 O SER A 99 -4.611 14.988 4.411 1.00 0.20 O ATOM 1434 CB SER A 99 -1.447 14.179 5.464 1.00 0.18 C ATOM 1435 OG SER A 99 -1.250 15.365 4.711 1.00 0.70 O ATOM 0 H SER A 99 -2.341 12.026 6.302 1.00 0.15 H new ATOM 0 HA SER A 99 -3.252 14.740 6.485 1.00 0.16 H new ATOM 0 HB2 SER A 99 -0.873 14.234 6.389 1.00 0.18 H new ATOM 0 HB3 SER A 99 -1.069 13.323 4.904 1.00 0.18 H new ATOM 0 HG SER A 99 -0.295 15.476 4.519 1.00 0.70 H new ATOM 1441 N ASP A 100 -3.563 13.174 3.585 1.00 0.14 N ATOM 1442 CA ASP A 100 -4.257 13.199 2.313 1.00 0.16 C ATOM 1443 C ASP A 100 -5.709 12.773 2.435 1.00 0.16 C ATOM 1444 O ASP A 100 -6.453 12.880 1.481 1.00 0.18 O ATOM 1445 CB ASP A 100 -3.529 12.348 1.301 1.00 0.17 C ATOM 1446 CG ASP A 100 -2.701 13.180 0.344 1.00 0.41 C ATOM 1447 OD1 ASP A 100 -3.257 13.664 -0.663 1.00 0.72 O ATOM 1448 OD2 ASP A 100 -1.478 13.320 0.565 1.00 0.57 O ATOM 0 H ASP A 100 -2.908 12.398 3.687 1.00 0.14 H new ATOM 0 HA ASP A 100 -4.263 14.233 1.968 1.00 0.16 H new ATOM 0 HB2 ASP A 100 -2.881 11.643 1.821 1.00 0.17 H new ATOM 0 HB3 ASP A 100 -4.252 11.760 0.736 1.00 0.17 H new ATOM 1453 N LYS A 101 -6.115 12.264 3.593 1.00 0.15 N ATOM 1454 CA LYS A 101 -7.537 12.016 3.853 1.00 0.16 C ATOM 1455 C LYS A 101 -8.341 13.306 3.659 1.00 0.20 C ATOM 1456 O LYS A 101 -9.543 13.276 3.414 1.00 0.22 O ATOM 1457 CB LYS A 101 -7.739 11.482 5.269 1.00 0.16 C ATOM 1458 CG LYS A 101 -8.071 10.001 5.331 1.00 0.17 C ATOM 1459 CD LYS A 101 -7.405 9.321 6.516 1.00 0.17 C ATOM 1460 CE LYS A 101 -7.798 9.940 7.842 1.00 0.26 C ATOM 1461 NZ LYS A 101 -7.249 9.182 8.998 1.00 1.26 N ATOM 0 H LYS A 101 -5.492 12.016 4.361 1.00 0.15 H new ATOM 0 HA LYS A 101 -7.891 11.266 3.146 1.00 0.16 H new ATOM 0 HB2 LYS A 101 -6.834 11.665 5.848 1.00 0.16 H new ATOM 0 HB3 LYS A 101 -8.542 12.044 5.747 1.00 0.16 H new ATOM 0 HG2 LYS A 101 -9.151 9.874 5.399 1.00 0.17 H new ATOM 0 HG3 LYS A 101 -7.751 9.518 4.408 1.00 0.17 H new ATOM 0 HD2 LYS A 101 -7.671 8.264 6.520 1.00 0.17 H new ATOM 0 HD3 LYS A 101 -6.323 9.377 6.400 1.00 0.17 H new ATOM 0 HE2 LYS A 101 -7.441 10.969 7.881 1.00 0.26 H new ATOM 0 HE3 LYS A 101 -8.885 9.977 7.916 1.00 0.26 H new ATOM 0 HZ1 LYS A 101 -7.499 9.668 9.883 1.00 1.26 H new ATOM 0 HZ2 LYS A 101 -7.649 8.222 9.005 1.00 1.26 H new ATOM 0 HZ3 LYS A 101 -6.214 9.125 8.916 1.00 1.26 H new ATOM 1475 N SER A 102 -7.664 14.441 3.769 1.00 0.23 N ATOM 1476 CA SER A 102 -8.272 15.730 3.457 1.00 0.28 C ATOM 1477 C SER A 102 -8.545 15.821 1.955 1.00 0.30 C ATOM 1478 O SER A 102 -9.462 16.511 1.512 1.00 0.38 O ATOM 1479 CB SER A 102 -7.342 16.865 3.891 1.00 0.36 C ATOM 1480 OG SER A 102 -6.861 16.650 5.208 1.00 1.23 O ATOM 0 H SER A 102 -6.692 14.497 4.072 1.00 0.23 H new ATOM 0 HA SER A 102 -9.214 15.822 3.997 1.00 0.28 H new ATOM 0 HB2 SER A 102 -6.502 16.937 3.200 1.00 0.36 H new ATOM 0 HB3 SER A 102 -7.875 17.815 3.845 1.00 0.36 H new ATOM 0 HG SER A 102 -6.063 16.082 5.176 1.00 1.23 H new ATOM 1486 N ASN A 103 -7.740 15.097 1.187 1.00 0.27 N ATOM 1487 CA ASN A 103 -7.868 15.046 -0.264 1.00 0.29 C ATOM 1488 C ASN A 103 -8.838 13.942 -0.660 1.00 0.28 C ATOM 1489 O ASN A 103 -9.590 14.074 -1.626 1.00 0.37 O ATOM 1490 CB ASN A 103 -6.500 14.794 -0.910 1.00 0.33 C ATOM 1491 CG ASN A 103 -6.446 15.265 -2.354 1.00 0.37 C ATOM 1492 OD1 ASN A 103 -7.152 16.192 -2.745 1.00 0.87 O ATOM 1493 ND2 ASN A 103 -5.598 14.638 -3.152 1.00 0.93 N ATOM 0 H ASN A 103 -6.978 14.527 1.554 1.00 0.27 H new ATOM 0 HA ASN A 103 -8.252 16.004 -0.616 1.00 0.29 H new ATOM 0 HB2 ASN A 103 -5.729 15.307 -0.334 1.00 0.33 H new ATOM 0 HB3 ASN A 103 -6.273 13.729 -0.869 1.00 0.33 H new ATOM 0 HD21 ASN A 103 -5.513 14.920 -4.129 1.00 0.93 H new ATOM 0 HD22 ASN A 103 -5.029 13.873 -2.791 1.00 0.93 H new ATOM 1500 N TYR A 104 -8.810 12.852 0.097 1.00 0.21 N ATOM 1501 CA TYR A 104 -9.705 11.727 -0.124 1.00 0.22 C ATOM 1502 C TYR A 104 -10.065 11.116 1.213 1.00 0.21 C ATOM 1503 O TYR A 104 -9.181 10.709 1.952 1.00 0.20 O ATOM 1504 CB TYR A 104 -9.040 10.635 -0.975 1.00 0.23 C ATOM 1505 CG TYR A 104 -7.686 10.999 -1.554 1.00 0.21 C ATOM 1506 CD1 TYR A 104 -6.554 11.112 -0.748 1.00 0.18 C ATOM 1507 CD2 TYR A 104 -7.540 11.213 -2.914 1.00 0.25 C ATOM 1508 CE1 TYR A 104 -5.327 11.433 -1.286 1.00 0.21 C ATOM 1509 CE2 TYR A 104 -6.316 11.533 -3.463 1.00 0.27 C ATOM 1510 CZ TYR A 104 -5.209 11.640 -2.643 1.00 0.22 C ATOM 1511 OH TYR A 104 -3.986 11.968 -3.178 1.00 0.30 O ATOM 0 H TYR A 104 -8.167 12.725 0.879 1.00 0.21 H new ATOM 0 HA TYR A 104 -10.586 12.098 -0.647 1.00 0.22 H new ATOM 0 HB2 TYR A 104 -8.927 9.740 -0.364 1.00 0.23 H new ATOM 0 HB3 TYR A 104 -9.710 10.378 -1.795 1.00 0.23 H new ATOM 0 HD1 TYR A 104 -6.640 10.945 0.316 1.00 0.18 H new ATOM 0 HD2 TYR A 104 -8.403 11.128 -3.558 1.00 0.25 H new ATOM 0 HE1 TYR A 104 -4.461 11.522 -0.647 1.00 0.21 H new ATOM 0 HE2 TYR A 104 -6.223 11.699 -4.526 1.00 0.27 H new ATOM 0 HH TYR A 104 -4.048 11.975 -4.156 1.00 0.30 H new ATOM 1521 N CYS A 105 -11.342 11.101 1.539 1.00 0.28 N ATOM 1522 CA CYS A 105 -11.825 10.385 2.705 1.00 0.31 C ATOM 1523 C CYS A 105 -13.336 10.227 2.679 1.00 0.45 C ATOM 1524 O CYS A 105 -14.070 11.137 2.287 1.00 0.63 O ATOM 1525 CB CYS A 105 -11.359 11.066 3.996 1.00 0.27 C ATOM 1526 SG CYS A 105 -12.328 10.666 5.469 1.00 0.38 S ATOM 0 H CYS A 105 -12.070 11.580 1.009 1.00 0.28 H new ATOM 0 HA CYS A 105 -11.396 9.383 2.679 1.00 0.31 H new ATOM 0 HB2 CYS A 105 -10.320 10.791 4.178 1.00 0.27 H new ATOM 0 HB3 CYS A 105 -11.382 12.146 3.847 1.00 0.27 H new ATOM 0 HG CYS A 105 -12.130 9.423 5.794 1.00 0.38 H new