USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 914 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 8 HIS : no HD1:sc= -0.102 X(o=-0.084,f=-0.015) USER MOD Set 1.2: A 54 LYS NZ :NH3+ 169:sc= 0.0187 (180deg=0) USER MOD Single : A 1 ASP N :NH3+ 169:sc= -0.598! (180deg=-0.728!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.344 K(o=-0.34,f=-3.1!) USER MOD Single : A 24 HIS : no HD1:sc= -0.315 K(o=-0.31,f=-1.8) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.0146 X(o=-0.015,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot -41:sc= -5.59! USER MOD Single : A 48 LYS NZ :NH3+ -113:sc= 0 (180deg=-0.0172) USER MOD Single : A 52 LYS NZ :NH3+ -155:sc= -0.104 (180deg=-0.315) USER MOD Single : A 58 SER OG : rot -71:sc= 1.13 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 120:sc= -2.93! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.0204 X(o=-0.02,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot -88:sc= 1.1 USER MOD Single : A 82 TYR OH : rot 180:sc= -1.25 USER MOD Single : A 84 THR OG1 : rot -60:sc= -3.68! USER MOD Single : A 86 LYS NZ :NH3+ -171:sc= -1.46 (180deg=-1.57) USER MOD Single : A 90 ASN : amide:sc= -0.416 X(o=-0.42,f=-0.47) USER MOD Single : A 93 THR OG1 : rot 11:sc=-0.000429 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 5:sc= -5.58! USER MOD Single : A 100 THR OG1 : rot 57:sc= 0.254 USER MOD Single : A 110 ASN : amide:sc= 1.17 K(o=1.2,f=-0.55) USER MOD Single : A 113 LYS NZ :NH3+ -128:sc=-0.00834 (180deg=-0.291) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -69:sc= 0.697 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -6.341 13.274 14.409 1.00 7.08 N ATOM 2 CA ASP A 1 -6.234 12.198 13.383 1.00 6.65 C ATOM 3 C ASP A 1 -5.788 10.890 14.036 1.00 5.96 C ATOM 4 O ASP A 1 -6.481 9.892 13.996 1.00 6.16 O ATOM 5 CB ASP A 1 -5.177 12.693 12.397 1.00 7.15 C ATOM 6 CG ASP A 1 -4.516 13.958 12.947 1.00 7.15 C ATOM 7 OD1 ASP A 1 -5.205 14.729 13.593 1.00 7.37 O ATOM 8 OD2 ASP A 1 -3.332 14.134 12.713 1.00 7.22 O ATOM 0 H1 ASP A 1 -6.461 14.193 13.937 1.00 7.08 H new ATOM 0 H2 ASP A 1 -7.161 13.090 15.021 1.00 7.08 H new ATOM 0 H3 ASP A 1 -5.476 13.291 14.986 1.00 7.08 H new ATOM 0 HA ASP A 1 -7.187 11.999 12.892 1.00 6.65 H new ATOM 0 HB2 ASP A 1 -4.426 11.920 12.234 1.00 7.15 H new ATOM 0 HB3 ASP A 1 -5.636 12.901 11.430 1.00 7.15 H new ATOM 15 N ALA A 2 -4.633 10.889 14.636 1.00 5.41 N ATOM 16 CA ALA A 2 -4.131 9.649 15.295 1.00 4.78 C ATOM 17 C ALA A 2 -4.146 8.479 14.303 1.00 3.77 C ATOM 18 O ALA A 2 -5.162 7.838 14.121 1.00 3.42 O ATOM 19 CB ALA A 2 -5.103 9.389 16.447 1.00 5.00 C ATOM 0 H ALA A 2 -4.011 11.695 14.700 1.00 5.41 H new ATOM 0 HA ALA A 2 -3.104 9.755 15.646 1.00 4.78 H new ATOM 0 HB1 ALA A 2 -4.800 8.489 16.983 1.00 5.00 H new ATOM 0 HB2 ALA A 2 -5.093 10.239 17.130 1.00 5.00 H new ATOM 0 HB3 ALA A 2 -6.109 9.254 16.050 1.00 5.00 H new ATOM 25 N PRO A 3 -3.014 8.238 13.685 1.00 3.56 N ATOM 26 CA PRO A 3 -2.911 7.134 12.701 1.00 2.78 C ATOM 27 C PRO A 3 -2.849 5.784 13.420 1.00 2.04 C ATOM 28 O PRO A 3 -2.226 5.648 14.455 1.00 2.31 O ATOM 29 CB PRO A 3 -1.601 7.421 11.974 1.00 3.38 C ATOM 30 CG PRO A 3 -0.784 8.224 12.937 1.00 4.09 C ATOM 31 CD PRO A 3 -1.742 8.963 13.839 1.00 4.30 C ATOM 0 HA PRO A 3 -3.765 7.082 12.025 1.00 2.78 H new ATOM 0 HB2 PRO A 3 -1.092 6.497 11.701 1.00 3.38 H new ATOM 0 HB3 PRO A 3 -1.776 7.973 11.051 1.00 3.38 H new ATOM 0 HG2 PRO A 3 -0.132 7.575 13.521 1.00 4.09 H new ATOM 0 HG3 PRO A 3 -0.142 8.925 12.404 1.00 4.09 H new ATOM 0 HD2 PRO A 3 -1.401 8.954 14.874 1.00 4.30 H new ATOM 0 HD3 PRO A 3 -1.841 10.008 13.545 1.00 4.30 H new ATOM 39 N GLU A 4 -3.487 4.783 12.878 1.00 1.37 N ATOM 40 CA GLU A 4 -3.463 3.442 13.530 1.00 1.14 C ATOM 41 C GLU A 4 -2.534 2.499 12.761 1.00 0.89 C ATOM 42 O GLU A 4 -2.045 2.824 11.698 1.00 1.30 O ATOM 43 CB GLU A 4 -4.908 2.944 13.471 1.00 1.67 C ATOM 44 CG GLU A 4 -5.175 2.016 14.658 1.00 2.39 C ATOM 45 CD GLU A 4 -3.850 1.441 15.165 1.00 2.65 C ATOM 46 OE1 GLU A 4 -3.415 0.440 14.620 1.00 3.05 O ATOM 47 OE2 GLU A 4 -3.294 2.012 16.089 1.00 3.09 O ATOM 0 H GLU A 4 -4.024 4.835 12.012 1.00 1.37 H new ATOM 0 HA GLU A 4 -3.092 3.486 14.554 1.00 1.14 H new ATOM 0 HB2 GLU A 4 -5.597 3.789 13.494 1.00 1.67 H new ATOM 0 HB3 GLU A 4 -5.084 2.415 12.535 1.00 1.67 H new ATOM 0 HG2 GLU A 4 -5.675 2.564 15.457 1.00 2.39 H new ATOM 0 HG3 GLU A 4 -5.843 1.209 14.359 1.00 2.39 H new ATOM 54 N GLU A 5 -2.284 1.334 13.293 1.00 1.00 N ATOM 55 CA GLU A 5 -1.383 0.374 12.593 1.00 0.81 C ATOM 56 C GLU A 5 -1.525 -1.025 13.202 1.00 0.87 C ATOM 57 O GLU A 5 -1.776 -1.175 14.381 1.00 1.15 O ATOM 58 CB GLU A 5 0.026 0.918 12.826 1.00 0.95 C ATOM 59 CG GLU A 5 0.276 1.052 14.330 1.00 1.46 C ATOM 60 CD GLU A 5 1.720 1.501 14.571 1.00 1.82 C ATOM 61 OE1 GLU A 5 2.601 0.973 13.913 1.00 2.19 O ATOM 62 OE2 GLU A 5 1.917 2.364 15.410 1.00 2.50 O ATOM 0 H GLU A 5 -2.664 1.005 14.181 1.00 1.00 H new ATOM 0 HA GLU A 5 -1.617 0.284 11.532 1.00 0.81 H new ATOM 0 HB2 GLU A 5 0.764 0.250 12.381 1.00 0.95 H new ATOM 0 HB3 GLU A 5 0.139 1.887 12.339 1.00 0.95 H new ATOM 0 HG2 GLU A 5 -0.417 1.774 14.761 1.00 1.46 H new ATOM 0 HG3 GLU A 5 0.093 0.099 14.826 1.00 1.46 H new ATOM 69 N GLU A 6 -1.365 -2.050 12.409 1.00 0.79 N ATOM 70 CA GLU A 6 -1.492 -3.434 12.952 1.00 1.04 C ATOM 71 C GLU A 6 -0.104 -4.029 13.216 1.00 1.10 C ATOM 72 O GLU A 6 0.389 -4.007 14.325 1.00 1.76 O ATOM 73 CB GLU A 6 -2.221 -4.223 11.863 1.00 1.28 C ATOM 74 CG GLU A 6 -3.731 -4.155 12.106 1.00 1.68 C ATOM 75 CD GLU A 6 -4.072 -4.877 13.411 1.00 1.97 C ATOM 76 OE1 GLU A 6 -3.581 -5.977 13.603 1.00 2.24 O ATOM 77 OE2 GLU A 6 -4.819 -4.319 14.197 1.00 2.63 O ATOM 0 H GLU A 6 -1.153 -1.990 11.413 1.00 0.79 H new ATOM 0 HA GLU A 6 -2.031 -3.459 13.899 1.00 1.04 H new ATOM 0 HB2 GLU A 6 -1.981 -3.815 10.881 1.00 1.28 H new ATOM 0 HB3 GLU A 6 -1.888 -5.261 11.866 1.00 1.28 H new ATOM 0 HG2 GLU A 6 -4.055 -3.116 12.158 1.00 1.68 H new ATOM 0 HG3 GLU A 6 -4.265 -4.614 11.274 1.00 1.68 H new ATOM 84 N ASP A 7 0.529 -4.556 12.203 1.00 1.27 N ATOM 85 CA ASP A 7 1.885 -5.148 12.395 1.00 1.35 C ATOM 86 C ASP A 7 2.878 -4.486 11.439 1.00 1.28 C ATOM 87 O ASP A 7 3.003 -4.874 10.295 1.00 2.01 O ATOM 88 CB ASP A 7 1.721 -6.629 12.059 1.00 1.53 C ATOM 89 CG ASP A 7 1.329 -7.398 13.324 1.00 1.92 C ATOM 90 OD1 ASP A 7 0.256 -7.138 13.843 1.00 2.57 O ATOM 91 OD2 ASP A 7 2.109 -8.233 13.750 1.00 2.36 O ATOM 0 H ASP A 7 0.166 -4.602 11.251 1.00 1.27 H new ATOM 0 HA ASP A 7 2.266 -5.003 13.406 1.00 1.35 H new ATOM 0 HB2 ASP A 7 0.958 -6.757 11.292 1.00 1.53 H new ATOM 0 HB3 ASP A 7 2.651 -7.026 11.652 1.00 1.53 H new ATOM 96 N HIS A 8 3.578 -3.480 11.892 1.00 1.21 N ATOM 97 CA HIS A 8 4.552 -2.788 10.997 1.00 1.11 C ATOM 98 C HIS A 8 3.847 -2.352 9.707 1.00 0.81 C ATOM 99 O HIS A 8 4.465 -2.177 8.675 1.00 0.87 O ATOM 100 CB HIS A 8 5.630 -3.831 10.700 1.00 1.32 C ATOM 101 CG HIS A 8 6.275 -4.265 11.986 1.00 1.61 C ATOM 102 ND1 HIS A 8 6.957 -5.466 12.105 1.00 2.30 N ATOM 103 CD2 HIS A 8 6.353 -3.667 13.220 1.00 2.02 C ATOM 104 CE1 HIS A 8 7.409 -5.553 13.368 1.00 2.53 C ATOM 105 NE2 HIS A 8 7.069 -4.483 14.092 1.00 2.33 N ATOM 0 H HIS A 8 3.518 -3.108 12.840 1.00 1.21 H new ATOM 0 HA HIS A 8 4.976 -1.892 11.451 1.00 1.11 H new ATOM 0 HB2 HIS A 8 5.190 -4.690 10.193 1.00 1.32 H new ATOM 0 HB3 HIS A 8 6.379 -3.414 10.028 1.00 1.32 H new ATOM 0 HD2 HIS A 8 5.924 -2.709 13.475 1.00 2.02 H new ATOM 0 HE1 HIS A 8 7.978 -6.387 13.751 1.00 2.53 H new ATOM 0 HE2 HIS A 8 7.287 -4.303 15.072 1.00 2.33 H new ATOM 113 N VAL A 9 2.554 -2.183 9.763 1.00 0.69 N ATOM 114 CA VAL A 9 1.794 -1.767 8.550 1.00 0.49 C ATOM 115 C VAL A 9 0.851 -0.610 8.898 1.00 0.41 C ATOM 116 O VAL A 9 0.573 -0.352 10.053 1.00 0.54 O ATOM 117 CB VAL A 9 1.004 -3.014 8.150 1.00 0.68 C ATOM 118 CG1 VAL A 9 0.070 -2.682 6.986 1.00 0.88 C ATOM 119 CG2 VAL A 9 1.974 -4.117 7.722 1.00 0.89 C ATOM 0 H VAL A 9 1.988 -2.316 10.601 1.00 0.69 H new ATOM 0 HA VAL A 9 2.438 -1.416 7.744 1.00 0.49 H new ATOM 0 HB VAL A 9 0.415 -3.354 9.001 1.00 0.68 H new ATOM 0 HG11 VAL A 9 -0.491 -3.573 6.704 1.00 0.88 H new ATOM 0 HG12 VAL A 9 -0.623 -1.897 7.288 1.00 0.88 H new ATOM 0 HG13 VAL A 9 0.658 -2.339 6.135 1.00 0.88 H new ATOM 0 HG21 VAL A 9 1.411 -5.006 7.437 1.00 0.89 H new ATOM 0 HG22 VAL A 9 2.564 -3.773 6.873 1.00 0.89 H new ATOM 0 HG23 VAL A 9 2.639 -4.359 8.551 1.00 0.89 H new ATOM 129 N LEU A 10 0.362 0.099 7.915 1.00 0.41 N ATOM 130 CA LEU A 10 -0.550 1.242 8.209 1.00 0.54 C ATOM 131 C LEU A 10 -1.951 0.984 7.649 1.00 0.42 C ATOM 132 O LEU A 10 -2.123 0.283 6.671 1.00 0.59 O ATOM 133 CB LEU A 10 0.085 2.437 7.501 1.00 0.83 C ATOM 134 CG LEU A 10 0.417 3.526 8.522 1.00 0.96 C ATOM 135 CD1 LEU A 10 1.925 3.784 8.511 1.00 1.49 C ATOM 136 CD2 LEU A 10 -0.330 4.810 8.152 1.00 1.30 C ATOM 0 H LEU A 10 0.554 -0.063 6.926 1.00 0.41 H new ATOM 0 HA LEU A 10 -0.667 1.401 9.281 1.00 0.54 H new ATOM 0 HB2 LEU A 10 0.991 2.124 6.981 1.00 0.83 H new ATOM 0 HB3 LEU A 10 -0.597 2.829 6.746 1.00 0.83 H new ATOM 0 HG LEU A 10 0.112 3.205 9.518 1.00 0.96 H new ATOM 0 HD11 LEU A 10 2.167 4.560 9.237 1.00 1.49 H new ATOM 0 HD12 LEU A 10 2.453 2.866 8.771 1.00 1.49 H new ATOM 0 HD13 LEU A 10 2.231 4.110 7.517 1.00 1.49 H new ATOM 0 HD21 LEU A 10 -0.096 5.589 8.878 1.00 1.30 H new ATOM 0 HD22 LEU A 10 -0.023 5.136 7.158 1.00 1.30 H new ATOM 0 HD23 LEU A 10 -1.403 4.621 8.157 1.00 1.30 H new ATOM 148 N VAL A 11 -2.953 1.561 8.256 1.00 0.54 N ATOM 149 CA VAL A 11 -4.344 1.370 7.757 1.00 0.46 C ATOM 150 C VAL A 11 -4.903 2.711 7.276 1.00 0.43 C ATOM 151 O VAL A 11 -4.582 3.754 7.810 1.00 0.54 O ATOM 152 CB VAL A 11 -5.137 0.856 8.958 1.00 0.61 C ATOM 153 CG1 VAL A 11 -5.040 1.863 10.106 1.00 1.39 C ATOM 154 CG2 VAL A 11 -6.605 0.679 8.559 1.00 1.04 C ATOM 0 H VAL A 11 -2.867 2.158 9.078 1.00 0.54 H new ATOM 0 HA VAL A 11 -4.395 0.675 6.919 1.00 0.46 H new ATOM 0 HB VAL A 11 -4.727 -0.101 9.281 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -5.606 1.495 10.962 1.00 1.39 H new ATOM 0 HG12 VAL A 11 -3.996 1.991 10.390 1.00 1.39 H new ATOM 0 HG13 VAL A 11 -5.449 2.821 9.785 1.00 1.39 H new ATOM 0 HG21 VAL A 11 -7.173 0.312 9.414 1.00 1.04 H new ATOM 0 HG22 VAL A 11 -7.013 1.637 8.237 1.00 1.04 H new ATOM 0 HG23 VAL A 11 -6.676 -0.039 7.742 1.00 1.04 H new ATOM 164 N LEU A 12 -5.729 2.699 6.265 1.00 0.40 N ATOM 165 CA LEU A 12 -6.291 3.983 5.755 1.00 0.45 C ATOM 166 C LEU A 12 -7.773 4.099 6.071 1.00 0.44 C ATOM 167 O LEU A 12 -8.342 3.321 6.810 1.00 0.58 O ATOM 168 CB LEU A 12 -6.089 3.942 4.243 1.00 0.63 C ATOM 169 CG LEU A 12 -5.518 5.276 3.759 1.00 0.76 C ATOM 170 CD1 LEU A 12 -4.190 5.553 4.467 1.00 0.82 C ATOM 171 CD2 LEU A 12 -5.284 5.209 2.249 1.00 1.16 C ATOM 0 H LEU A 12 -6.038 1.861 5.772 1.00 0.40 H new ATOM 0 HA LEU A 12 -5.800 4.838 6.220 1.00 0.45 H new ATOM 0 HB2 LEU A 12 -5.412 3.129 3.979 1.00 0.63 H new ATOM 0 HB3 LEU A 12 -7.038 3.740 3.746 1.00 0.63 H new ATOM 0 HG LEU A 12 -6.223 6.076 3.986 1.00 0.76 H new ATOM 0 HD11 LEU A 12 -3.785 6.504 4.121 1.00 0.82 H new ATOM 0 HD12 LEU A 12 -4.354 5.599 5.544 1.00 0.82 H new ATOM 0 HD13 LEU A 12 -3.484 4.754 4.241 1.00 0.82 H new ATOM 0 HD21 LEU A 12 -4.877 6.159 1.901 1.00 1.16 H new ATOM 0 HD22 LEU A 12 -4.579 4.408 2.025 1.00 1.16 H new ATOM 0 HD23 LEU A 12 -6.229 5.012 1.743 1.00 1.16 H new ATOM 183 N ARG A 13 -8.388 5.086 5.501 1.00 0.47 N ATOM 184 CA ARG A 13 -9.844 5.313 5.730 1.00 0.55 C ATOM 185 C ARG A 13 -10.419 6.198 4.619 1.00 0.54 C ATOM 186 O ARG A 13 -9.701 6.695 3.773 1.00 0.73 O ATOM 187 CB ARG A 13 -9.926 6.023 7.081 1.00 0.69 C ATOM 188 CG ARG A 13 -11.181 5.564 7.823 1.00 1.19 C ATOM 189 CD ARG A 13 -10.903 5.539 9.328 1.00 1.28 C ATOM 190 NE ARG A 13 -10.954 6.967 9.749 1.00 1.86 N ATOM 191 CZ ARG A 13 -10.348 7.348 10.841 1.00 2.30 C ATOM 192 NH1 ARG A 13 -10.181 6.503 11.822 1.00 2.84 N ATOM 193 NH2 ARG A 13 -9.908 8.572 10.952 1.00 2.68 N ATOM 0 H ARG A 13 -7.943 5.758 4.876 1.00 0.47 H new ATOM 0 HA ARG A 13 -10.415 4.385 5.724 1.00 0.55 H new ATOM 0 HB2 ARG A 13 -9.039 5.802 7.674 1.00 0.69 H new ATOM 0 HB3 ARG A 13 -9.951 7.103 6.935 1.00 0.69 H new ATOM 0 HG2 ARG A 13 -12.011 6.237 7.607 1.00 1.19 H new ATOM 0 HG3 ARG A 13 -11.477 4.572 7.480 1.00 1.19 H new ATOM 0 HD2 ARG A 13 -11.647 4.944 9.858 1.00 1.28 H new ATOM 0 HD3 ARG A 13 -9.930 5.098 9.543 1.00 1.28 H new ATOM 0 HE ARG A 13 -11.462 7.647 9.184 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -10.524 5.546 11.735 1.00 2.84 H new ATOM 0 HH12 ARG A 13 -9.708 6.800 12.676 1.00 2.84 H new ATOM 0 HH21 ARG A 13 -10.037 9.232 10.185 1.00 2.68 H new ATOM 0 HH22 ARG A 13 -9.435 8.868 11.806 1.00 2.68 H new ATOM 207 N LYS A 14 -11.708 6.394 4.614 1.00 0.58 N ATOM 208 CA LYS A 14 -12.337 7.239 3.559 1.00 0.63 C ATOM 209 C LYS A 14 -11.652 8.607 3.471 1.00 0.65 C ATOM 210 O LYS A 14 -11.385 9.109 2.397 1.00 0.83 O ATOM 211 CB LYS A 14 -13.791 7.398 4.002 1.00 0.74 C ATOM 212 CG LYS A 14 -14.533 6.076 3.794 1.00 1.26 C ATOM 213 CD LYS A 14 -15.990 6.234 4.236 1.00 1.92 C ATOM 214 CE LYS A 14 -16.916 5.909 3.062 1.00 2.26 C ATOM 215 NZ LYS A 14 -18.285 6.226 3.554 1.00 2.80 N ATOM 0 H LYS A 14 -12.356 6.004 5.298 1.00 0.58 H new ATOM 0 HA LYS A 14 -12.250 6.787 2.571 1.00 0.63 H new ATOM 0 HB2 LYS A 14 -13.833 7.690 5.051 1.00 0.74 H new ATOM 0 HB3 LYS A 14 -14.272 8.192 3.430 1.00 0.74 H new ATOM 0 HG2 LYS A 14 -14.490 5.783 2.745 1.00 1.26 H new ATOM 0 HG3 LYS A 14 -14.052 5.283 4.366 1.00 1.26 H new ATOM 0 HD2 LYS A 14 -16.201 5.570 5.074 1.00 1.92 H new ATOM 0 HD3 LYS A 14 -16.168 7.252 4.583 1.00 1.92 H new ATOM 0 HE2 LYS A 14 -16.664 6.504 2.184 1.00 2.26 H new ATOM 0 HE3 LYS A 14 -16.833 4.862 2.772 1.00 2.26 H new ATOM 0 HZ1 LYS A 14 -18.978 6.029 2.804 1.00 2.80 H new ATOM 0 HZ2 LYS A 14 -18.499 5.640 4.386 1.00 2.80 H new ATOM 0 HZ3 LYS A 14 -18.336 7.231 3.816 1.00 2.80 H new ATOM 229 N SER A 15 -11.376 9.223 4.590 1.00 0.68 N ATOM 230 CA SER A 15 -10.720 10.564 4.558 1.00 0.88 C ATOM 231 C SER A 15 -9.223 10.459 4.879 1.00 0.81 C ATOM 232 O SER A 15 -8.512 11.444 4.873 1.00 1.05 O ATOM 233 CB SER A 15 -11.438 11.375 5.637 1.00 1.10 C ATOM 234 OG SER A 15 -12.463 12.155 5.041 1.00 1.68 O ATOM 0 H SER A 15 -11.575 8.858 5.521 1.00 0.68 H new ATOM 0 HA SER A 15 -10.790 11.023 3.572 1.00 0.88 H new ATOM 0 HB2 SER A 15 -11.864 10.707 6.386 1.00 1.10 H new ATOM 0 HB3 SER A 15 -10.728 12.021 6.153 1.00 1.10 H new ATOM 0 HG SER A 15 -12.924 12.673 5.733 1.00 1.68 H new ATOM 240 N ASN A 16 -8.733 9.281 5.160 1.00 0.65 N ATOM 241 CA ASN A 16 -7.284 9.139 5.480 1.00 0.68 C ATOM 242 C ASN A 16 -6.465 9.026 4.194 1.00 0.55 C ATOM 243 O ASN A 16 -5.312 9.405 4.143 1.00 0.56 O ATOM 244 CB ASN A 16 -7.184 7.846 6.285 1.00 0.87 C ATOM 245 CG ASN A 16 -7.086 8.168 7.775 1.00 0.91 C ATOM 246 OD1 ASN A 16 -7.048 9.320 8.160 1.00 1.74 O ATOM 247 ND2 ASN A 16 -7.041 7.189 8.636 1.00 0.98 N ATOM 0 H ASN A 16 -9.271 8.415 5.182 1.00 0.65 H new ATOM 0 HA ASN A 16 -6.898 9.998 6.030 1.00 0.68 H new ATOM 0 HB2 ASN A 16 -8.057 7.221 6.096 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -6.310 7.277 5.969 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -6.974 7.390 9.634 1.00 0.98 H new ATOM 0 HD22 ASN A 16 -7.073 6.223 8.311 1.00 0.98 H new ATOM 254 N PHE A 17 -7.052 8.501 3.155 1.00 0.55 N ATOM 255 CA PHE A 17 -6.305 8.357 1.874 1.00 0.51 C ATOM 256 C PHE A 17 -5.689 9.696 1.458 1.00 0.46 C ATOM 257 O PHE A 17 -4.488 9.865 1.472 1.00 0.52 O ATOM 258 CB PHE A 17 -7.349 7.898 0.855 1.00 0.56 C ATOM 259 CG PHE A 17 -6.651 7.458 -0.408 1.00 0.62 C ATOM 260 CD1 PHE A 17 -6.034 8.405 -1.235 1.00 0.79 C ATOM 261 CD2 PHE A 17 -6.622 6.103 -0.754 1.00 0.78 C ATOM 262 CE1 PHE A 17 -5.389 7.995 -2.408 1.00 0.90 C ATOM 263 CE2 PHE A 17 -5.978 5.693 -1.926 1.00 0.89 C ATOM 264 CZ PHE A 17 -5.350 6.646 -2.750 1.00 0.87 C ATOM 0 H PHE A 17 -8.015 8.166 3.137 1.00 0.55 H new ATOM 0 HA PHE A 17 -5.480 7.649 1.956 1.00 0.51 H new ATOM 0 HB2 PHE A 17 -7.937 7.077 1.264 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -8.043 8.710 0.637 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -6.056 9.451 -0.968 1.00 0.79 H new ATOM 0 HD2 PHE A 17 -7.097 5.373 -0.116 1.00 0.78 H new ATOM 0 HE1 PHE A 17 -4.921 8.727 -3.049 1.00 0.90 H new ATOM 0 HE2 PHE A 17 -5.963 4.648 -2.198 1.00 0.89 H new ATOM 0 HZ PHE A 17 -4.838 6.331 -3.647 1.00 0.87 H new ATOM 274 N ALA A 18 -6.499 10.651 1.094 1.00 0.52 N ATOM 275 CA ALA A 18 -5.948 11.975 0.683 1.00 0.66 C ATOM 276 C ALA A 18 -5.065 12.544 1.796 1.00 0.59 C ATOM 277 O ALA A 18 -4.215 13.380 1.564 1.00 0.75 O ATOM 278 CB ALA A 18 -7.171 12.864 0.460 1.00 0.84 C ATOM 0 H ALA A 18 -7.516 10.574 1.063 1.00 0.52 H new ATOM 0 HA ALA A 18 -5.329 11.906 -0.212 1.00 0.66 H new ATOM 0 HB1 ALA A 18 -6.847 13.859 0.154 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -7.798 12.431 -0.319 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -7.741 12.937 1.386 1.00 0.84 H new ATOM 284 N GLU A 19 -5.262 12.096 3.005 1.00 0.46 N ATOM 285 CA GLU A 19 -4.440 12.605 4.138 1.00 0.49 C ATOM 286 C GLU A 19 -3.080 11.905 4.159 1.00 0.48 C ATOM 287 O GLU A 19 -2.043 12.536 4.201 1.00 0.56 O ATOM 288 CB GLU A 19 -5.238 12.240 5.386 1.00 0.55 C ATOM 289 CG GLU A 19 -4.640 12.947 6.603 1.00 0.69 C ATOM 290 CD GLU A 19 -3.134 12.676 6.661 1.00 1.04 C ATOM 291 OE1 GLU A 19 -2.758 11.649 7.200 1.00 1.78 O ATOM 292 OE2 GLU A 19 -2.385 13.500 6.165 1.00 1.66 O ATOM 0 H GLU A 19 -5.960 11.396 3.258 1.00 0.46 H new ATOM 0 HA GLU A 19 -4.248 13.676 4.065 1.00 0.49 H new ATOM 0 HB2 GLU A 19 -6.281 12.530 5.261 1.00 0.55 H new ATOM 0 HB3 GLU A 19 -5.223 11.161 5.536 1.00 0.55 H new ATOM 0 HG2 GLU A 19 -4.825 14.019 6.542 1.00 0.69 H new ATOM 0 HG3 GLU A 19 -5.120 12.592 7.515 1.00 0.69 H new ATOM 299 N ALA A 20 -3.083 10.603 4.135 1.00 0.45 N ATOM 300 CA ALA A 20 -1.796 9.849 4.160 1.00 0.53 C ATOM 301 C ALA A 20 -0.875 10.325 3.036 1.00 0.57 C ATOM 302 O ALA A 20 0.321 10.450 3.210 1.00 0.71 O ATOM 303 CB ALA A 20 -2.188 8.387 3.946 1.00 0.57 C ATOM 0 H ALA A 20 -3.923 10.025 4.099 1.00 0.45 H new ATOM 0 HA ALA A 20 -1.254 9.995 5.095 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -1.292 7.766 3.952 1.00 0.57 H new ATOM 0 HB2 ALA A 20 -2.856 8.068 4.746 1.00 0.57 H new ATOM 0 HB3 ALA A 20 -2.696 8.283 2.987 1.00 0.57 H new ATOM 309 N LEU A 21 -1.421 10.590 1.883 1.00 0.55 N ATOM 310 CA LEU A 21 -0.575 11.054 0.747 1.00 0.69 C ATOM 311 C LEU A 21 0.050 12.411 1.073 1.00 0.75 C ATOM 312 O LEU A 21 1.229 12.627 0.878 1.00 0.92 O ATOM 313 CB LEU A 21 -1.534 11.173 -0.440 1.00 0.74 C ATOM 314 CG LEU A 21 -2.196 9.816 -0.714 1.00 0.84 C ATOM 315 CD1 LEU A 21 -3.060 9.914 -1.970 1.00 0.90 C ATOM 316 CD2 LEU A 21 -1.126 8.745 -0.924 1.00 1.44 C ATOM 0 H LEU A 21 -2.416 10.506 1.677 1.00 0.55 H new ATOM 0 HA LEU A 21 0.247 10.370 0.538 1.00 0.69 H new ATOM 0 HB2 LEU A 21 -2.296 11.923 -0.229 1.00 0.74 H new ATOM 0 HB3 LEU A 21 -0.992 11.508 -1.324 1.00 0.74 H new ATOM 0 HG LEU A 21 -2.815 9.545 0.141 1.00 0.84 H new ATOM 0 HD11 LEU A 21 -3.530 8.950 -2.164 1.00 0.90 H new ATOM 0 HD12 LEU A 21 -3.831 10.671 -1.823 1.00 0.90 H new ATOM 0 HD13 LEU A 21 -2.436 10.191 -2.820 1.00 0.90 H new ATOM 0 HD21 LEU A 21 -1.605 7.785 -1.118 1.00 1.44 H new ATOM 0 HD22 LEU A 21 -0.501 9.017 -1.775 1.00 1.44 H new ATOM 0 HD23 LEU A 21 -0.508 8.668 -0.030 1.00 1.44 H new ATOM 328 N ALA A 22 -0.734 13.324 1.568 1.00 0.71 N ATOM 329 CA ALA A 22 -0.193 14.671 1.909 1.00 0.85 C ATOM 330 C ALA A 22 0.790 14.566 3.078 1.00 0.89 C ATOM 331 O ALA A 22 1.733 15.326 3.178 1.00 1.08 O ATOM 332 CB ALA A 22 -1.416 15.498 2.308 1.00 1.00 C ATOM 0 H ALA A 22 -1.729 13.198 1.753 1.00 0.71 H new ATOM 0 HA ALA A 22 0.350 15.121 1.078 1.00 0.85 H new ATOM 0 HB1 ALA A 22 -1.102 16.507 2.575 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -2.113 15.544 1.471 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -1.906 15.033 3.163 1.00 1.00 H new ATOM 338 N ALA A 23 0.579 13.630 3.963 1.00 0.86 N ATOM 339 CA ALA A 23 1.503 13.479 5.124 1.00 0.93 C ATOM 340 C ALA A 23 2.927 13.200 4.636 1.00 0.85 C ATOM 341 O ALA A 23 3.862 13.888 4.993 1.00 0.95 O ATOM 342 CB ALA A 23 0.959 12.284 5.908 1.00 1.05 C ATOM 0 H ALA A 23 -0.193 12.964 3.933 1.00 0.86 H new ATOM 0 HA ALA A 23 1.550 14.380 5.735 1.00 0.93 H new ATOM 0 HB1 ALA A 23 1.586 12.106 6.782 1.00 1.05 H new ATOM 0 HB2 ALA A 23 -0.061 12.494 6.230 1.00 1.05 H new ATOM 0 HB3 ALA A 23 0.964 11.399 5.272 1.00 1.05 H new ATOM 348 N HIS A 24 3.101 12.194 3.822 1.00 0.83 N ATOM 349 CA HIS A 24 4.466 11.873 3.314 1.00 0.84 C ATOM 350 C HIS A 24 4.484 11.904 1.784 1.00 0.82 C ATOM 351 O HIS A 24 3.681 12.567 1.156 1.00 1.30 O ATOM 352 CB HIS A 24 4.758 10.464 3.826 1.00 0.95 C ATOM 353 CG HIS A 24 6.220 10.342 4.154 1.00 1.22 C ATOM 354 ND1 HIS A 24 7.172 11.191 3.614 1.00 1.80 N ATOM 355 CD2 HIS A 24 6.910 9.475 4.966 1.00 1.84 C ATOM 356 CE1 HIS A 24 8.370 10.821 4.101 1.00 2.04 C ATOM 357 NE2 HIS A 24 8.267 9.779 4.930 1.00 2.00 N ATOM 0 H HIS A 24 2.358 11.581 3.487 1.00 0.83 H new ATOM 0 HA HIS A 24 5.212 12.592 3.653 1.00 0.84 H new ATOM 0 HB2 HIS A 24 4.157 10.256 4.711 1.00 0.95 H new ATOM 0 HB3 HIS A 24 4.481 9.727 3.072 1.00 0.95 H new ATOM 0 HD2 HIS A 24 6.466 8.678 5.545 1.00 1.84 H new ATOM 0 HE1 HIS A 24 9.302 11.307 3.852 1.00 2.04 H new ATOM 0 HE2 HIS A 24 9.021 9.307 5.429 1.00 2.00 H new ATOM 365 N LYS A 25 5.395 11.193 1.176 1.00 0.72 N ATOM 366 CA LYS A 25 5.464 11.184 -0.313 1.00 0.69 C ATOM 367 C LYS A 25 5.104 9.797 -0.852 1.00 0.59 C ATOM 368 O LYS A 25 4.102 9.620 -1.515 1.00 0.68 O ATOM 369 CB LYS A 25 6.918 11.524 -0.643 1.00 0.81 C ATOM 370 CG LYS A 25 6.978 12.890 -1.328 1.00 1.20 C ATOM 371 CD LYS A 25 8.104 13.722 -0.709 1.00 1.51 C ATOM 372 CE LYS A 25 7.544 14.562 0.440 1.00 2.06 C ATOM 373 NZ LYS A 25 8.718 14.855 1.310 1.00 2.47 N ATOM 0 H LYS A 25 6.094 10.618 1.646 1.00 0.72 H new ATOM 0 HA LYS A 25 4.766 11.890 -0.762 1.00 0.69 H new ATOM 0 HB2 LYS A 25 7.516 11.535 0.268 1.00 0.81 H new ATOM 0 HB3 LYS A 25 7.343 10.760 -1.294 1.00 0.81 H new ATOM 0 HG2 LYS A 25 7.149 12.765 -2.397 1.00 1.20 H new ATOM 0 HG3 LYS A 25 6.025 13.407 -1.216 1.00 1.20 H new ATOM 0 HD2 LYS A 25 8.895 13.068 -0.343 1.00 1.51 H new ATOM 0 HD3 LYS A 25 8.549 14.370 -1.464 1.00 1.51 H new ATOM 0 HE2 LYS A 25 7.087 15.480 0.071 1.00 2.06 H new ATOM 0 HE3 LYS A 25 6.773 14.019 0.987 1.00 2.06 H new ATOM 0 HZ1 LYS A 25 8.414 15.429 2.122 1.00 2.47 H new ATOM 0 HZ2 LYS A 25 9.128 13.962 1.651 1.00 2.47 H new ATOM 0 HZ3 LYS A 25 9.432 15.378 0.765 1.00 2.47 H new ATOM 387 N TYR A 26 5.915 8.813 -0.573 1.00 0.52 N ATOM 388 CA TYR A 26 5.621 7.437 -1.070 1.00 0.48 C ATOM 389 C TYR A 26 4.588 6.760 -0.167 1.00 0.46 C ATOM 390 O TYR A 26 4.909 6.267 0.896 1.00 0.53 O ATOM 391 CB TYR A 26 6.956 6.687 -1.004 1.00 0.56 C ATOM 392 CG TYR A 26 8.023 7.472 -1.730 1.00 0.65 C ATOM 393 CD1 TYR A 26 7.764 7.986 -3.005 1.00 0.75 C ATOM 394 CD2 TYR A 26 9.270 7.683 -1.129 1.00 1.08 C ATOM 395 CE1 TYR A 26 8.751 8.712 -3.681 1.00 0.87 C ATOM 396 CE2 TYR A 26 10.257 8.409 -1.805 1.00 1.31 C ATOM 397 CZ TYR A 26 10.003 8.930 -3.068 1.00 1.08 C ATOM 398 OH TYR A 26 10.972 9.638 -3.748 1.00 1.33 O ATOM 0 H TYR A 26 6.769 8.902 -0.022 1.00 0.52 H new ATOM 0 HA TYR A 26 5.210 7.447 -2.080 1.00 0.48 H new ATOM 0 HB2 TYR A 26 7.247 6.536 0.035 1.00 0.56 H new ATOM 0 HB3 TYR A 26 6.851 5.699 -1.452 1.00 0.56 H new ATOM 0 HD1 TYR A 26 6.802 7.822 -3.468 1.00 0.75 H new ATOM 0 HD2 TYR A 26 9.470 7.286 -0.145 1.00 1.08 H new ATOM 0 HE1 TYR A 26 8.555 9.104 -4.668 1.00 0.87 H new ATOM 0 HE2 TYR A 26 11.221 8.565 -1.343 1.00 1.31 H new ATOM 0 HH TYR A 26 11.778 9.705 -3.194 1.00 1.33 H new ATOM 408 N LEU A 27 3.352 6.729 -0.580 1.00 0.46 N ATOM 409 CA LEU A 27 2.305 6.080 0.259 1.00 0.45 C ATOM 410 C LEU A 27 1.738 4.856 -0.459 1.00 0.40 C ATOM 411 O LEU A 27 1.047 4.972 -1.453 1.00 0.50 O ATOM 412 CB LEU A 27 1.218 7.140 0.439 1.00 0.51 C ATOM 413 CG LEU A 27 1.582 8.064 1.602 1.00 0.77 C ATOM 414 CD1 LEU A 27 1.730 7.245 2.886 1.00 0.66 C ATOM 415 CD2 LEU A 27 2.902 8.771 1.291 1.00 1.93 C ATOM 0 H LEU A 27 3.021 7.124 -1.460 1.00 0.46 H new ATOM 0 HA LEU A 27 2.701 5.738 1.215 1.00 0.45 H new ATOM 0 HB2 LEU A 27 1.108 7.720 -0.477 1.00 0.51 H new ATOM 0 HB3 LEU A 27 0.258 6.661 0.630 1.00 0.51 H new ATOM 0 HG LEU A 27 0.793 8.804 1.738 1.00 0.77 H new ATOM 0 HD11 LEU A 27 1.989 7.907 3.712 1.00 0.66 H new ATOM 0 HD12 LEU A 27 0.789 6.741 3.107 1.00 0.66 H new ATOM 0 HD13 LEU A 27 2.517 6.503 2.755 1.00 0.66 H new ATOM 0 HD21 LEU A 27 3.165 9.431 2.118 1.00 1.93 H new ATOM 0 HD22 LEU A 27 3.689 8.029 1.154 1.00 1.93 H new ATOM 0 HD23 LEU A 27 2.794 9.358 0.379 1.00 1.93 H new ATOM 427 N LEU A 28 2.022 3.684 0.032 1.00 0.33 N ATOM 428 CA LEU A 28 1.496 2.458 -0.627 1.00 0.32 C ATOM 429 C LEU A 28 0.125 2.103 -0.055 1.00 0.29 C ATOM 430 O LEU A 28 -0.075 2.081 1.143 1.00 0.35 O ATOM 431 CB LEU A 28 2.519 1.364 -0.306 1.00 0.40 C ATOM 432 CG LEU A 28 2.789 0.517 -1.553 1.00 0.53 C ATOM 433 CD1 LEU A 28 1.510 -0.217 -1.953 1.00 1.12 C ATOM 434 CD2 LEU A 28 3.251 1.419 -2.704 1.00 0.73 C ATOM 0 H LEU A 28 2.595 3.522 0.860 1.00 0.33 H new ATOM 0 HA LEU A 28 1.367 2.586 -1.702 1.00 0.32 H new ATOM 0 HB2 LEU A 28 3.447 1.814 0.046 1.00 0.40 H new ATOM 0 HB3 LEU A 28 2.146 0.731 0.500 1.00 0.40 H new ATOM 0 HG LEU A 28 3.572 -0.210 -1.335 1.00 0.53 H new ATOM 0 HD11 LEU A 28 1.699 -0.821 -2.841 1.00 1.12 H new ATOM 0 HD12 LEU A 28 1.191 -0.864 -1.136 1.00 1.12 H new ATOM 0 HD13 LEU A 28 0.726 0.509 -2.169 1.00 1.12 H new ATOM 0 HD21 LEU A 28 3.442 0.811 -3.589 1.00 0.73 H new ATOM 0 HD22 LEU A 28 2.475 2.151 -2.927 1.00 0.73 H new ATOM 0 HD23 LEU A 28 4.166 1.937 -2.416 1.00 0.73 H new ATOM 446 N VAL A 29 -0.825 1.833 -0.906 1.00 0.32 N ATOM 447 CA VAL A 29 -2.186 1.486 -0.415 1.00 0.32 C ATOM 448 C VAL A 29 -2.615 0.124 -0.965 1.00 0.34 C ATOM 449 O VAL A 29 -2.406 -0.186 -2.121 1.00 0.47 O ATOM 450 CB VAL A 29 -3.095 2.597 -0.948 1.00 0.40 C ATOM 451 CG1 VAL A 29 -4.503 2.418 -0.382 1.00 0.37 C ATOM 452 CG2 VAL A 29 -2.546 3.960 -0.517 1.00 0.77 C ATOM 0 H VAL A 29 -0.717 1.838 -1.920 1.00 0.32 H new ATOM 0 HA VAL A 29 -2.229 1.414 0.672 1.00 0.32 H new ATOM 0 HB VAL A 29 -3.128 2.545 -2.036 1.00 0.40 H new ATOM 0 HG11 VAL A 29 -5.151 3.209 -0.761 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -4.897 1.449 -0.687 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -4.467 2.469 0.706 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -3.194 4.750 -0.897 1.00 0.77 H new ATOM 0 HG22 VAL A 29 -2.512 4.011 0.571 1.00 0.77 H new ATOM 0 HG23 VAL A 29 -1.541 4.091 -0.918 1.00 0.77 H new ATOM 462 N GLU A 30 -3.212 -0.691 -0.140 1.00 0.32 N ATOM 463 CA GLU A 30 -3.657 -2.037 -0.604 1.00 0.39 C ATOM 464 C GLU A 30 -5.144 -2.229 -0.299 1.00 0.36 C ATOM 465 O GLU A 30 -5.578 -2.099 0.828 1.00 0.42 O ATOM 466 CB GLU A 30 -2.811 -3.031 0.195 1.00 0.52 C ATOM 467 CG GLU A 30 -3.266 -4.459 -0.118 1.00 0.64 C ATOM 468 CD GLU A 30 -2.425 -5.453 0.687 1.00 0.89 C ATOM 469 OE1 GLU A 30 -2.358 -5.299 1.895 1.00 1.48 O ATOM 470 OE2 GLU A 30 -1.865 -6.352 0.081 1.00 1.60 O ATOM 0 H GLU A 30 -3.412 -0.483 0.838 1.00 0.32 H new ATOM 0 HA GLU A 30 -3.531 -2.170 -1.679 1.00 0.39 H new ATOM 0 HB2 GLU A 30 -1.757 -2.911 -0.056 1.00 0.52 H new ATOM 0 HB3 GLU A 30 -2.909 -2.833 1.262 1.00 0.52 H new ATOM 0 HG2 GLU A 30 -4.321 -4.577 0.127 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -3.162 -4.659 -1.184 1.00 0.64 H new ATOM 477 N PHE A 31 -5.930 -2.533 -1.295 1.00 0.35 N ATOM 478 CA PHE A 31 -7.391 -2.727 -1.062 1.00 0.36 C ATOM 479 C PHE A 31 -7.705 -4.206 -0.827 1.00 0.39 C ATOM 480 O PHE A 31 -7.397 -5.054 -1.641 1.00 0.49 O ATOM 481 CB PHE A 31 -8.057 -2.239 -2.348 1.00 0.41 C ATOM 482 CG PHE A 31 -8.106 -0.730 -2.349 1.00 0.38 C ATOM 483 CD1 PHE A 31 -9.118 -0.062 -1.651 1.00 0.53 C ATOM 484 CD2 PHE A 31 -7.138 0.002 -3.047 1.00 0.45 C ATOM 485 CE1 PHE A 31 -9.163 1.338 -1.652 1.00 0.59 C ATOM 486 CE2 PHE A 31 -7.182 1.400 -3.049 1.00 0.52 C ATOM 487 CZ PHE A 31 -8.195 2.069 -2.351 1.00 0.53 C ATOM 0 H PHE A 31 -5.625 -2.656 -2.260 1.00 0.35 H new ATOM 0 HA PHE A 31 -7.743 -2.188 -0.183 1.00 0.36 H new ATOM 0 HB2 PHE A 31 -7.502 -2.596 -3.216 1.00 0.41 H new ATOM 0 HB3 PHE A 31 -9.065 -2.646 -2.425 1.00 0.41 H new ATOM 0 HD1 PHE A 31 -9.865 -0.626 -1.111 1.00 0.53 H new ATOM 0 HD2 PHE A 31 -6.356 -0.514 -3.585 1.00 0.45 H new ATOM 0 HE1 PHE A 31 -9.944 1.854 -1.114 1.00 0.59 H new ATOM 0 HE2 PHE A 31 -6.435 1.963 -3.589 1.00 0.52 H new ATOM 0 HZ PHE A 31 -8.230 3.148 -2.352 1.00 0.53 H new ATOM 497 N TYR A 32 -8.324 -4.524 0.279 1.00 0.37 N ATOM 498 CA TYR A 32 -8.663 -5.949 0.558 1.00 0.44 C ATOM 499 C TYR A 32 -9.971 -6.035 1.360 1.00 0.40 C ATOM 500 O TYR A 32 -10.492 -5.039 1.821 1.00 0.45 O ATOM 501 CB TYR A 32 -7.474 -6.491 1.370 1.00 0.54 C ATOM 502 CG TYR A 32 -7.480 -5.900 2.764 1.00 0.54 C ATOM 503 CD1 TYR A 32 -6.856 -4.672 3.011 1.00 0.58 C ATOM 504 CD2 TYR A 32 -8.119 -6.584 3.805 1.00 0.66 C ATOM 505 CE1 TYR A 32 -6.871 -4.128 4.302 1.00 0.67 C ATOM 506 CE2 TYR A 32 -8.136 -6.041 5.095 1.00 0.79 C ATOM 507 CZ TYR A 32 -7.511 -4.812 5.345 1.00 0.77 C ATOM 508 OH TYR A 32 -7.528 -4.279 6.621 1.00 0.94 O ATOM 0 H TYR A 32 -8.609 -3.860 0.999 1.00 0.37 H new ATOM 0 HA TYR A 32 -8.820 -6.527 -0.353 1.00 0.44 H new ATOM 0 HB2 TYR A 32 -7.529 -7.578 1.428 1.00 0.54 H new ATOM 0 HB3 TYR A 32 -6.539 -6.245 0.867 1.00 0.54 H new ATOM 0 HD1 TYR A 32 -6.364 -4.144 2.208 1.00 0.58 H new ATOM 0 HD2 TYR A 32 -8.599 -7.532 3.612 1.00 0.66 H new ATOM 0 HE1 TYR A 32 -6.389 -3.181 4.494 1.00 0.67 H new ATOM 0 HE2 TYR A 32 -8.630 -6.569 5.897 1.00 0.79 H new ATOM 0 HH TYR A 32 -8.015 -4.882 7.221 1.00 0.94 H new ATOM 518 N ALA A 33 -10.498 -7.215 1.536 1.00 0.40 N ATOM 519 CA ALA A 33 -11.763 -7.356 2.314 1.00 0.44 C ATOM 520 C ALA A 33 -11.594 -8.427 3.400 1.00 0.53 C ATOM 521 O ALA A 33 -10.717 -9.263 3.307 1.00 0.56 O ATOM 522 CB ALA A 33 -12.812 -7.792 1.291 1.00 0.49 C ATOM 0 H ALA A 33 -10.109 -8.087 1.176 1.00 0.40 H new ATOM 0 HA ALA A 33 -12.046 -6.431 2.817 1.00 0.44 H new ATOM 0 HB1 ALA A 33 -13.774 -7.918 1.787 1.00 0.49 H new ATOM 0 HB2 ALA A 33 -12.901 -7.032 0.514 1.00 0.49 H new ATOM 0 HB3 ALA A 33 -12.510 -8.738 0.841 1.00 0.49 H new ATOM 528 N PRO A 34 -12.447 -8.375 4.395 1.00 0.63 N ATOM 529 CA PRO A 34 -12.388 -9.370 5.495 1.00 0.78 C ATOM 530 C PRO A 34 -12.792 -10.754 4.977 1.00 0.82 C ATOM 531 O PRO A 34 -12.506 -11.765 5.588 1.00 0.96 O ATOM 532 CB PRO A 34 -13.398 -8.845 6.511 1.00 0.90 C ATOM 533 CG PRO A 34 -14.346 -8.012 5.709 1.00 0.81 C ATOM 534 CD PRO A 34 -13.546 -7.418 4.581 1.00 0.66 C ATOM 0 HA PRO A 34 -11.391 -9.485 5.922 1.00 0.78 H new ATOM 0 HB2 PRO A 34 -13.916 -9.662 7.013 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -12.910 -8.254 7.286 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -15.166 -8.619 5.325 1.00 0.81 H new ATOM 0 HG3 PRO A 34 -14.790 -7.229 6.324 1.00 0.81 H new ATOM 0 HD2 PRO A 34 -14.145 -7.314 3.676 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -13.174 -6.425 4.833 1.00 0.66 H new ATOM 542 N TRP A 35 -13.446 -10.806 3.848 1.00 0.74 N ATOM 543 CA TRP A 35 -13.859 -12.121 3.281 1.00 0.83 C ATOM 544 C TRP A 35 -13.004 -12.468 2.053 1.00 0.78 C ATOM 545 O TRP A 35 -13.225 -13.469 1.399 1.00 0.92 O ATOM 546 CB TRP A 35 -15.326 -11.941 2.885 1.00 0.91 C ATOM 547 CG TRP A 35 -15.444 -10.869 1.846 1.00 0.87 C ATOM 548 CD1 TRP A 35 -15.682 -9.562 2.103 1.00 0.84 C ATOM 549 CD2 TRP A 35 -15.339 -10.991 0.397 1.00 1.25 C ATOM 550 NE1 TRP A 35 -15.724 -8.872 0.904 1.00 0.85 N ATOM 551 CE2 TRP A 35 -15.520 -9.709 -0.175 1.00 1.19 C ATOM 552 CE3 TRP A 35 -15.106 -12.075 -0.466 1.00 1.84 C ATOM 553 CZ2 TRP A 35 -15.471 -9.511 -1.556 1.00 1.66 C ATOM 554 CZ3 TRP A 35 -15.058 -11.880 -1.856 1.00 2.36 C ATOM 555 CH2 TRP A 35 -15.239 -10.600 -2.399 1.00 2.26 C ATOM 0 H TRP A 35 -13.712 -9.993 3.293 1.00 0.74 H new ATOM 0 HA TRP A 35 -13.728 -12.935 3.994 1.00 0.83 H new ATOM 0 HB2 TRP A 35 -15.726 -12.879 2.500 1.00 0.91 H new ATOM 0 HB3 TRP A 35 -15.919 -11.678 3.761 1.00 0.91 H new ATOM 0 HD1 TRP A 35 -15.817 -9.128 3.083 1.00 0.84 H new ATOM 0 HE1 TRP A 35 -15.886 -7.868 0.827 1.00 0.85 H new ATOM 0 HE3 TRP A 35 -14.963 -13.065 -0.058 1.00 1.84 H new ATOM 0 HZ2 TRP A 35 -15.611 -8.523 -1.969 1.00 1.66 H new ATOM 0 HZ3 TRP A 35 -14.881 -12.721 -2.510 1.00 2.36 H new ATOM 0 HH2 TRP A 35 -15.199 -10.456 -3.469 1.00 2.26 H new ATOM 566 N CYS A 36 -12.028 -11.655 1.734 1.00 0.65 N ATOM 567 CA CYS A 36 -11.169 -11.948 0.553 1.00 0.67 C ATOM 568 C CYS A 36 -10.559 -13.348 0.677 1.00 0.84 C ATOM 569 O CYS A 36 -10.549 -13.937 1.740 1.00 1.63 O ATOM 570 CB CYS A 36 -10.079 -10.878 0.596 1.00 0.58 C ATOM 571 SG CYS A 36 -8.978 -11.067 -0.825 1.00 1.07 S ATOM 0 H CYS A 36 -11.791 -10.803 2.242 1.00 0.65 H new ATOM 0 HA CYS A 36 -11.725 -11.931 -0.384 1.00 0.67 H new ATOM 0 HB2 CYS A 36 -10.530 -9.886 0.588 1.00 0.58 H new ATOM 0 HB3 CYS A 36 -9.510 -10.962 1.522 1.00 0.58 H new ATOM 576 N GLY A 37 -10.056 -13.889 -0.400 1.00 0.96 N ATOM 577 CA GLY A 37 -9.455 -15.251 -0.337 1.00 1.08 C ATOM 578 C GLY A 37 -7.968 -15.177 -0.691 1.00 1.00 C ATOM 579 O GLY A 37 -7.138 -15.782 -0.045 1.00 1.83 O ATOM 0 H GLY A 37 -10.036 -13.447 -1.319 1.00 0.96 H new ATOM 0 HA2 GLY A 37 -9.580 -15.668 0.662 1.00 1.08 H new ATOM 0 HA3 GLY A 37 -9.970 -15.918 -1.028 1.00 1.08 H new ATOM 583 N HIS A 38 -7.626 -14.445 -1.715 1.00 0.89 N ATOM 584 CA HIS A 38 -6.189 -14.342 -2.108 1.00 0.97 C ATOM 585 C HIS A 38 -5.484 -13.241 -1.309 1.00 0.88 C ATOM 586 O HIS A 38 -4.361 -12.880 -1.598 1.00 1.13 O ATOM 587 CB HIS A 38 -6.210 -13.992 -3.596 1.00 1.32 C ATOM 588 CG HIS A 38 -6.575 -15.214 -4.394 1.00 1.72 C ATOM 589 ND1 HIS A 38 -7.560 -15.195 -5.369 1.00 2.39 N ATOM 590 CD2 HIS A 38 -6.095 -16.500 -4.371 1.00 2.35 C ATOM 591 CE1 HIS A 38 -7.641 -16.434 -5.887 1.00 2.85 C ATOM 592 NE2 HIS A 38 -6.771 -17.270 -5.315 1.00 2.87 N ATOM 0 H HIS A 38 -8.275 -13.915 -2.296 1.00 0.89 H new ATOM 0 HA HIS A 38 -5.646 -15.266 -1.909 1.00 0.97 H new ATOM 0 HB2 HIS A 38 -6.929 -13.195 -3.783 1.00 1.32 H new ATOM 0 HB3 HIS A 38 -5.234 -13.620 -3.907 1.00 1.32 H new ATOM 0 HD2 HIS A 38 -5.312 -16.860 -3.720 1.00 2.35 H new ATOM 0 HE1 HIS A 38 -8.327 -16.718 -6.671 1.00 2.85 H new ATOM 0 HE2 HIS A 38 -6.632 -18.259 -5.524 1.00 2.87 H new ATOM 600 N CYS A 39 -6.124 -12.706 -0.304 1.00 0.79 N ATOM 601 CA CYS A 39 -5.470 -11.639 0.501 1.00 0.88 C ATOM 602 C CYS A 39 -4.687 -12.269 1.653 1.00 0.82 C ATOM 603 O CYS A 39 -3.690 -11.740 2.105 1.00 1.00 O ATOM 604 CB CYS A 39 -6.615 -10.776 1.027 1.00 1.08 C ATOM 605 SG CYS A 39 -7.394 -9.912 -0.360 1.00 1.00 S ATOM 0 H CYS A 39 -7.066 -12.961 -0.008 1.00 0.79 H new ATOM 0 HA CYS A 39 -4.762 -11.049 -0.081 1.00 0.88 H new ATOM 0 HB2 CYS A 39 -7.348 -11.397 1.542 1.00 1.08 H new ATOM 0 HB3 CYS A 39 -6.240 -10.057 1.755 1.00 1.08 H new ATOM 610 N LYS A 40 -5.124 -13.404 2.125 1.00 0.78 N ATOM 611 CA LYS A 40 -4.398 -14.074 3.238 1.00 0.94 C ATOM 612 C LYS A 40 -3.016 -14.521 2.754 1.00 0.84 C ATOM 613 O LYS A 40 -2.080 -14.626 3.521 1.00 0.94 O ATOM 614 CB LYS A 40 -5.262 -15.283 3.615 1.00 1.21 C ATOM 615 CG LYS A 40 -5.332 -16.260 2.438 1.00 1.56 C ATOM 616 CD LYS A 40 -6.400 -17.321 2.721 1.00 2.11 C ATOM 617 CE LYS A 40 -5.723 -18.629 3.138 1.00 2.72 C ATOM 618 NZ LYS A 40 -6.821 -19.469 3.694 1.00 3.29 N ATOM 0 H LYS A 40 -5.952 -13.895 1.788 1.00 0.78 H new ATOM 0 HA LYS A 40 -4.243 -13.416 4.093 1.00 0.94 H new ATOM 0 HB2 LYS A 40 -4.843 -15.782 4.489 1.00 1.21 H new ATOM 0 HB3 LYS A 40 -6.265 -14.954 3.886 1.00 1.21 H new ATOM 0 HG2 LYS A 40 -5.571 -15.724 1.520 1.00 1.56 H new ATOM 0 HG3 LYS A 40 -4.363 -16.735 2.287 1.00 1.56 H new ATOM 0 HD2 LYS A 40 -7.069 -16.978 3.510 1.00 2.11 H new ATOM 0 HD3 LYS A 40 -7.011 -17.483 1.833 1.00 2.11 H new ATOM 0 HE2 LYS A 40 -5.246 -19.115 2.287 1.00 2.72 H new ATOM 0 HE3 LYS A 40 -4.946 -18.452 3.881 1.00 2.72 H new ATOM 0 HZ1 LYS A 40 -6.436 -20.384 4.002 1.00 3.29 H new ATOM 0 HZ2 LYS A 40 -7.252 -18.983 4.506 1.00 3.29 H new ATOM 0 HZ3 LYS A 40 -7.543 -19.626 2.962 1.00 3.29 H new ATOM 632 N ALA A 41 -2.884 -14.778 1.479 1.00 0.77 N ATOM 633 CA ALA A 41 -1.564 -15.210 0.938 1.00 0.86 C ATOM 634 C ALA A 41 -0.653 -13.993 0.755 1.00 0.75 C ATOM 635 O ALA A 41 0.552 -14.081 0.887 1.00 0.90 O ATOM 636 CB ALA A 41 -1.883 -15.852 -0.413 1.00 0.93 C ATOM 0 H ALA A 41 -3.633 -14.707 0.790 1.00 0.77 H new ATOM 0 HA ALA A 41 -1.045 -15.901 1.603 1.00 0.86 H new ATOM 0 HB1 ALA A 41 -0.960 -16.198 -0.878 1.00 0.93 H new ATOM 0 HB2 ALA A 41 -2.554 -16.698 -0.264 1.00 0.93 H new ATOM 0 HB3 ALA A 41 -2.363 -15.118 -1.060 1.00 0.93 H new ATOM 642 N LEU A 42 -1.223 -12.858 0.454 1.00 0.65 N ATOM 643 CA LEU A 42 -0.397 -11.631 0.266 1.00 0.67 C ATOM 644 C LEU A 42 -0.328 -10.837 1.575 1.00 0.63 C ATOM 645 O LEU A 42 0.565 -10.040 1.784 1.00 0.70 O ATOM 646 CB LEU A 42 -1.124 -10.828 -0.814 1.00 0.82 C ATOM 647 CG LEU A 42 -0.335 -9.555 -1.126 1.00 0.86 C ATOM 648 CD1 LEU A 42 0.846 -9.897 -2.035 1.00 1.24 C ATOM 649 CD2 LEU A 42 -1.246 -8.550 -1.832 1.00 1.37 C ATOM 0 H LEU A 42 -2.227 -12.727 0.330 1.00 0.65 H new ATOM 0 HA LEU A 42 0.629 -11.861 -0.020 1.00 0.67 H new ATOM 0 HB2 LEU A 42 -1.234 -11.430 -1.716 1.00 0.82 H new ATOM 0 HB3 LEU A 42 -2.128 -10.572 -0.477 1.00 0.82 H new ATOM 0 HG LEU A 42 0.035 -9.121 -0.197 1.00 0.86 H new ATOM 0 HD11 LEU A 42 1.408 -8.990 -2.258 1.00 1.24 H new ATOM 0 HD12 LEU A 42 1.496 -10.613 -1.533 1.00 1.24 H new ATOM 0 HD13 LEU A 42 0.476 -10.332 -2.964 1.00 1.24 H new ATOM 0 HD21 LEU A 42 -0.684 -7.643 -2.054 1.00 1.37 H new ATOM 0 HD22 LEU A 42 -1.616 -8.984 -2.761 1.00 1.37 H new ATOM 0 HD23 LEU A 42 -2.088 -8.305 -1.185 1.00 1.37 H new ATOM 661 N ALA A 43 -1.267 -11.052 2.457 1.00 0.71 N ATOM 662 CA ALA A 43 -1.263 -10.316 3.755 1.00 0.73 C ATOM 663 C ALA A 43 0.120 -10.387 4.422 1.00 0.67 C ATOM 664 O ALA A 43 0.680 -9.369 4.778 1.00 0.65 O ATOM 665 CB ALA A 43 -2.306 -11.031 4.616 1.00 0.88 C ATOM 0 H ALA A 43 -2.039 -11.707 2.334 1.00 0.71 H new ATOM 0 HA ALA A 43 -1.489 -9.258 3.622 1.00 0.73 H new ATOM 0 HB1 ALA A 43 -2.365 -10.549 5.592 1.00 0.88 H new ATOM 0 HB2 ALA A 43 -3.279 -10.980 4.127 1.00 0.88 H new ATOM 0 HB3 ALA A 43 -2.019 -12.075 4.744 1.00 0.88 H new ATOM 671 N PRO A 44 0.629 -11.587 4.581 1.00 0.69 N ATOM 672 CA PRO A 44 1.954 -11.759 5.224 1.00 0.70 C ATOM 673 C PRO A 44 3.087 -11.339 4.281 1.00 0.59 C ATOM 674 O PRO A 44 4.243 -11.351 4.652 1.00 0.65 O ATOM 675 CB PRO A 44 2.019 -13.251 5.528 1.00 0.83 C ATOM 676 CG PRO A 44 1.091 -13.891 4.544 1.00 0.84 C ATOM 677 CD PRO A 44 0.031 -12.877 4.198 1.00 0.76 C ATOM 0 HA PRO A 44 2.071 -11.142 6.115 1.00 0.70 H new ATOM 0 HB2 PRO A 44 3.034 -13.632 5.417 1.00 0.83 H new ATOM 0 HB3 PRO A 44 1.711 -13.458 6.553 1.00 0.83 H new ATOM 0 HG2 PRO A 44 1.633 -14.200 3.650 1.00 0.84 H new ATOM 0 HG3 PRO A 44 0.640 -14.788 4.969 1.00 0.84 H new ATOM 0 HD2 PRO A 44 -0.214 -12.903 3.136 1.00 0.76 H new ATOM 0 HD3 PRO A 44 -0.894 -13.065 4.743 1.00 0.76 H new ATOM 685 N GLU A 45 2.776 -10.957 3.072 1.00 0.53 N ATOM 686 CA GLU A 45 3.849 -10.526 2.133 1.00 0.46 C ATOM 687 C GLU A 45 3.881 -9.000 2.078 1.00 0.41 C ATOM 688 O GLU A 45 4.905 -8.391 1.845 1.00 0.47 O ATOM 689 CB GLU A 45 3.454 -11.114 0.779 1.00 0.48 C ATOM 690 CG GLU A 45 3.517 -12.642 0.848 1.00 0.61 C ATOM 691 CD GLU A 45 4.979 -13.100 0.885 1.00 1.12 C ATOM 692 OE1 GLU A 45 5.843 -12.256 1.064 1.00 1.83 O ATOM 693 OE2 GLU A 45 5.209 -14.288 0.735 1.00 1.90 O ATOM 0 H GLU A 45 1.829 -10.925 2.696 1.00 0.53 H new ATOM 0 HA GLU A 45 4.841 -10.862 2.435 1.00 0.46 H new ATOM 0 HB2 GLU A 45 2.448 -10.793 0.511 1.00 0.48 H new ATOM 0 HB3 GLU A 45 4.124 -10.747 0.002 1.00 0.48 H new ATOM 0 HG2 GLU A 45 2.993 -12.997 1.735 1.00 0.61 H new ATOM 0 HG3 GLU A 45 3.012 -13.075 -0.015 1.00 0.61 H new ATOM 700 N TYR A 46 2.759 -8.382 2.310 1.00 0.43 N ATOM 701 CA TYR A 46 2.701 -6.896 2.297 1.00 0.48 C ATOM 702 C TYR A 46 3.073 -6.363 3.695 1.00 0.52 C ATOM 703 O TYR A 46 3.409 -5.207 3.856 1.00 0.69 O ATOM 704 CB TYR A 46 1.239 -6.587 1.894 1.00 0.64 C ATOM 705 CG TYR A 46 0.696 -5.361 2.603 1.00 0.72 C ATOM 706 CD1 TYR A 46 1.041 -4.086 2.145 1.00 1.02 C ATOM 707 CD2 TYR A 46 -0.144 -5.503 3.715 1.00 1.03 C ATOM 708 CE1 TYR A 46 0.548 -2.952 2.795 1.00 1.38 C ATOM 709 CE2 TYR A 46 -0.637 -4.366 4.366 1.00 1.39 C ATOM 710 CZ TYR A 46 -0.321 -3.110 3.917 1.00 1.50 C ATOM 711 OH TYR A 46 -0.778 -1.971 4.544 1.00 1.95 O ATOM 0 H TYR A 46 1.873 -8.846 2.510 1.00 0.43 H new ATOM 0 HA TYR A 46 3.399 -6.419 1.609 1.00 0.48 H new ATOM 0 HB2 TYR A 46 1.186 -6.435 0.816 1.00 0.64 H new ATOM 0 HB3 TYR A 46 0.611 -7.447 2.126 1.00 0.64 H new ATOM 0 HD1 TYR A 46 1.689 -3.978 1.288 1.00 1.02 H new ATOM 0 HD2 TYR A 46 -0.411 -6.488 4.069 1.00 1.03 H new ATOM 0 HE1 TYR A 46 0.822 -1.965 2.452 1.00 1.38 H new ATOM 0 HE2 TYR A 46 -1.273 -4.480 5.231 1.00 1.39 H new ATOM 0 HH TYR A 46 -0.049 -1.320 4.612 1.00 1.95 H new ATOM 721 N ALA A 47 3.011 -7.197 4.701 1.00 0.53 N ATOM 722 CA ALA A 47 3.359 -6.731 6.074 1.00 0.62 C ATOM 723 C ALA A 47 4.817 -7.067 6.406 1.00 0.58 C ATOM 724 O ALA A 47 5.428 -6.437 7.247 1.00 0.68 O ATOM 725 CB ALA A 47 2.412 -7.493 7.001 1.00 0.73 C ATOM 0 H ALA A 47 2.735 -8.177 4.630 1.00 0.53 H new ATOM 0 HA ALA A 47 3.256 -5.651 6.177 1.00 0.62 H new ATOM 0 HB1 ALA A 47 2.605 -7.205 8.034 1.00 0.73 H new ATOM 0 HB2 ALA A 47 1.380 -7.253 6.744 1.00 0.73 H new ATOM 0 HB3 ALA A 47 2.575 -8.565 6.886 1.00 0.73 H new ATOM 731 N LYS A 48 5.382 -8.051 5.761 1.00 0.51 N ATOM 732 CA LYS A 48 6.800 -8.411 6.061 1.00 0.55 C ATOM 733 C LYS A 48 7.755 -7.707 5.091 1.00 0.53 C ATOM 734 O LYS A 48 8.912 -8.061 4.982 1.00 0.65 O ATOM 735 CB LYS A 48 6.876 -9.927 5.882 1.00 0.60 C ATOM 736 CG LYS A 48 7.163 -10.584 7.235 1.00 1.03 C ATOM 737 CD LYS A 48 5.899 -10.554 8.095 1.00 1.41 C ATOM 738 CE LYS A 48 6.206 -9.866 9.428 1.00 1.92 C ATOM 739 NZ LYS A 48 6.917 -10.897 10.236 1.00 2.47 N ATOM 0 H LYS A 48 4.929 -8.618 5.045 1.00 0.51 H new ATOM 0 HA LYS A 48 7.092 -8.103 7.065 1.00 0.55 H new ATOM 0 HB2 LYS A 48 5.938 -10.304 5.474 1.00 0.60 H new ATOM 0 HB3 LYS A 48 7.659 -10.181 5.168 1.00 0.60 H new ATOM 0 HG2 LYS A 48 7.492 -11.613 7.089 1.00 1.03 H new ATOM 0 HG3 LYS A 48 7.973 -10.059 7.742 1.00 1.03 H new ATOM 0 HD2 LYS A 48 5.104 -10.022 7.573 1.00 1.41 H new ATOM 0 HD3 LYS A 48 5.541 -11.569 8.271 1.00 1.41 H new ATOM 0 HE2 LYS A 48 6.826 -8.981 9.283 1.00 1.92 H new ATOM 0 HE3 LYS A 48 5.292 -9.537 9.923 1.00 1.92 H new ATOM 0 HZ1 LYS A 48 6.324 -11.175 11.044 1.00 2.47 H new ATOM 0 HZ2 LYS A 48 7.109 -11.730 9.644 1.00 2.47 H new ATOM 0 HZ3 LYS A 48 7.815 -10.506 10.585 1.00 2.47 H new ATOM 753 N ALA A 49 7.288 -6.707 4.393 1.00 0.47 N ATOM 754 CA ALA A 49 8.183 -5.984 3.444 1.00 0.50 C ATOM 755 C ALA A 49 8.607 -4.648 4.049 1.00 0.53 C ATOM 756 O ALA A 49 9.717 -4.192 3.863 1.00 0.65 O ATOM 757 CB ALA A 49 7.341 -5.767 2.187 1.00 0.55 C ATOM 0 H ALA A 49 6.330 -6.361 4.438 1.00 0.47 H new ATOM 0 HA ALA A 49 9.095 -6.540 3.225 1.00 0.50 H new ATOM 0 HB1 ALA A 49 7.933 -5.239 1.439 1.00 0.55 H new ATOM 0 HB2 ALA A 49 7.029 -6.732 1.787 1.00 0.55 H new ATOM 0 HB3 ALA A 49 6.460 -5.175 2.437 1.00 0.55 H new ATOM 763 N ALA A 50 7.732 -4.024 4.784 1.00 0.54 N ATOM 764 CA ALA A 50 8.086 -2.724 5.421 1.00 0.65 C ATOM 765 C ALA A 50 8.837 -2.980 6.731 1.00 0.65 C ATOM 766 O ALA A 50 9.512 -2.114 7.251 1.00 0.77 O ATOM 767 CB ALA A 50 6.748 -2.035 5.691 1.00 0.76 C ATOM 0 H ALA A 50 6.786 -4.357 4.972 1.00 0.54 H new ATOM 0 HA ALA A 50 8.733 -2.112 4.793 1.00 0.65 H new ATOM 0 HB1 ALA A 50 6.925 -1.068 6.161 1.00 0.76 H new ATOM 0 HB2 ALA A 50 6.217 -1.889 4.750 1.00 0.76 H new ATOM 0 HB3 ALA A 50 6.146 -2.656 6.355 1.00 0.76 H new ATOM 773 N GLY A 51 8.726 -4.167 7.269 1.00 0.59 N ATOM 774 CA GLY A 51 9.432 -4.480 8.541 1.00 0.69 C ATOM 775 C GLY A 51 10.833 -5.008 8.230 1.00 0.78 C ATOM 776 O GLY A 51 11.738 -4.895 9.033 1.00 0.90 O ATOM 0 H GLY A 51 8.175 -4.932 6.880 1.00 0.59 H new ATOM 0 HA2 GLY A 51 9.498 -3.587 9.162 1.00 0.69 H new ATOM 0 HA3 GLY A 51 8.870 -5.222 9.108 1.00 0.69 H new ATOM 780 N LYS A 52 11.029 -5.580 7.072 1.00 0.80 N ATOM 781 CA LYS A 52 12.385 -6.100 6.732 1.00 1.01 C ATOM 782 C LYS A 52 13.360 -4.932 6.522 1.00 1.12 C ATOM 783 O LYS A 52 14.562 -5.111 6.504 1.00 1.31 O ATOM 784 CB LYS A 52 12.200 -6.904 5.439 1.00 1.15 C ATOM 785 CG LYS A 52 11.852 -5.966 4.278 1.00 1.49 C ATOM 786 CD LYS A 52 13.067 -5.824 3.357 1.00 1.97 C ATOM 787 CE LYS A 52 13.225 -7.095 2.517 1.00 2.64 C ATOM 788 NZ LYS A 52 14.548 -7.657 2.911 1.00 3.08 N ATOM 0 H LYS A 52 10.317 -5.709 6.353 1.00 0.80 H new ATOM 0 HA LYS A 52 12.802 -6.718 7.527 1.00 1.01 H new ATOM 0 HB2 LYS A 52 13.113 -7.454 5.211 1.00 1.15 H new ATOM 0 HB3 LYS A 52 11.408 -7.641 5.571 1.00 1.15 H new ATOM 0 HG2 LYS A 52 11.003 -6.360 3.720 1.00 1.49 H new ATOM 0 HG3 LYS A 52 11.556 -4.989 4.661 1.00 1.49 H new ATOM 0 HD2 LYS A 52 12.944 -4.959 2.706 1.00 1.97 H new ATOM 0 HD3 LYS A 52 13.966 -5.652 3.948 1.00 1.97 H new ATOM 0 HE2 LYS A 52 12.420 -7.803 2.717 1.00 2.64 H new ATOM 0 HE3 LYS A 52 13.194 -6.870 1.451 1.00 2.64 H new ATOM 0 HZ1 LYS A 52 14.922 -8.241 2.136 1.00 3.08 H new ATOM 0 HZ2 LYS A 52 15.210 -6.880 3.110 1.00 3.08 H new ATOM 0 HZ3 LYS A 52 14.436 -8.243 3.763 1.00 3.08 H new ATOM 802 N LEU A 53 12.851 -3.736 6.365 1.00 1.12 N ATOM 803 CA LEU A 53 13.749 -2.564 6.159 1.00 1.33 C ATOM 804 C LEU A 53 13.427 -1.447 7.164 1.00 1.30 C ATOM 805 O LEU A 53 14.022 -0.389 7.134 1.00 1.50 O ATOM 806 CB LEU A 53 13.472 -2.101 4.725 1.00 1.55 C ATOM 807 CG LEU A 53 12.045 -1.552 4.615 1.00 1.47 C ATOM 808 CD1 LEU A 53 12.053 -0.052 4.915 1.00 2.07 C ATOM 809 CD2 LEU A 53 11.516 -1.786 3.199 1.00 1.82 C ATOM 0 H LEU A 53 11.854 -3.523 6.371 1.00 1.12 H new ATOM 0 HA LEU A 53 14.797 -2.821 6.311 1.00 1.33 H new ATOM 0 HB2 LEU A 53 14.189 -1.332 4.438 1.00 1.55 H new ATOM 0 HB3 LEU A 53 13.604 -2.934 4.034 1.00 1.55 H new ATOM 0 HG LEU A 53 11.402 -2.063 5.331 1.00 1.47 H new ATOM 0 HD11 LEU A 53 11.039 0.340 4.837 1.00 2.07 H new ATOM 0 HD12 LEU A 53 12.430 0.115 5.924 1.00 2.07 H new ATOM 0 HD13 LEU A 53 12.696 0.459 4.198 1.00 2.07 H new ATOM 0 HD21 LEU A 53 10.501 -1.396 3.121 1.00 1.82 H new ATOM 0 HD22 LEU A 53 12.158 -1.275 2.482 1.00 1.82 H new ATOM 0 HD23 LEU A 53 11.511 -2.855 2.984 1.00 1.82 H new ATOM 821 N LYS A 54 12.492 -1.666 8.054 1.00 1.20 N ATOM 822 CA LYS A 54 12.152 -0.604 9.045 1.00 1.35 C ATOM 823 C LYS A 54 13.413 -0.166 9.796 1.00 1.40 C ATOM 824 O LYS A 54 13.531 0.964 10.226 1.00 1.67 O ATOM 825 CB LYS A 54 11.139 -1.253 9.997 1.00 1.46 C ATOM 826 CG LYS A 54 11.818 -2.360 10.812 1.00 1.91 C ATOM 827 CD LYS A 54 10.780 -3.042 11.705 1.00 2.50 C ATOM 828 CE LYS A 54 10.444 -2.129 12.888 1.00 2.87 C ATOM 829 NZ LYS A 54 10.246 -3.051 14.041 1.00 3.88 N ATOM 0 H LYS A 54 11.954 -2.528 8.136 1.00 1.20 H new ATOM 0 HA LYS A 54 11.741 0.289 8.575 1.00 1.35 H new ATOM 0 HB2 LYS A 54 10.723 -0.500 10.667 1.00 1.46 H new ATOM 0 HB3 LYS A 54 10.307 -1.668 9.428 1.00 1.46 H new ATOM 0 HG2 LYS A 54 12.275 -3.090 10.144 1.00 1.91 H new ATOM 0 HG3 LYS A 54 12.618 -1.940 11.421 1.00 1.91 H new ATOM 0 HD2 LYS A 54 9.878 -3.259 11.132 1.00 2.50 H new ATOM 0 HD3 LYS A 54 11.166 -3.995 12.066 1.00 2.50 H new ATOM 0 HE2 LYS A 54 11.250 -1.421 13.082 1.00 2.87 H new ATOM 0 HE3 LYS A 54 9.546 -1.543 12.692 1.00 2.87 H new ATOM 0 HZ1 LYS A 54 10.197 -2.500 14.922 1.00 3.88 H new ATOM 0 HZ2 LYS A 54 9.360 -3.580 13.914 1.00 3.88 H new ATOM 0 HZ3 LYS A 54 11.043 -3.718 14.093 1.00 3.88 H new ATOM 843 N ALA A 55 14.356 -1.055 9.954 1.00 1.63 N ATOM 844 CA ALA A 55 15.609 -0.695 10.675 1.00 2.20 C ATOM 845 C ALA A 55 16.445 0.282 9.839 1.00 2.03 C ATOM 846 O ALA A 55 17.326 0.949 10.345 1.00 2.38 O ATOM 847 CB ALA A 55 16.355 -2.018 10.859 1.00 2.78 C ATOM 0 H ALA A 55 14.312 -2.016 9.614 1.00 1.63 H new ATOM 0 HA ALA A 55 15.408 -0.203 11.627 1.00 2.20 H new ATOM 0 HB1 ALA A 55 17.293 -1.837 11.384 1.00 2.78 H new ATOM 0 HB2 ALA A 55 15.740 -2.705 11.441 1.00 2.78 H new ATOM 0 HB3 ALA A 55 16.565 -2.456 9.883 1.00 2.78 H new ATOM 853 N GLU A 56 16.177 0.373 8.563 1.00 1.67 N ATOM 854 CA GLU A 56 16.961 1.307 7.703 1.00 1.70 C ATOM 855 C GLU A 56 16.356 2.711 7.753 1.00 1.53 C ATOM 856 O GLU A 56 17.029 3.697 7.527 1.00 1.98 O ATOM 857 CB GLU A 56 16.849 0.731 6.292 1.00 1.99 C ATOM 858 CG GLU A 56 17.924 -0.337 6.091 1.00 2.69 C ATOM 859 CD GLU A 56 18.554 -0.173 4.707 1.00 3.21 C ATOM 860 OE1 GLU A 56 19.476 0.616 4.587 1.00 3.64 O ATOM 861 OE2 GLU A 56 18.105 -0.841 3.790 1.00 3.63 O ATOM 0 H GLU A 56 15.451 -0.157 8.080 1.00 1.67 H new ATOM 0 HA GLU A 56 17.997 1.396 8.030 1.00 1.70 H new ATOM 0 HB2 GLU A 56 15.860 0.299 6.141 1.00 1.99 H new ATOM 0 HB3 GLU A 56 16.966 1.524 5.554 1.00 1.99 H new ATOM 0 HG2 GLU A 56 18.688 -0.248 6.863 1.00 2.69 H new ATOM 0 HG3 GLU A 56 17.487 -1.331 6.188 1.00 2.69 H new ATOM 868 N GLY A 57 15.089 2.810 8.046 1.00 1.58 N ATOM 869 CA GLY A 57 14.442 4.151 8.106 1.00 2.25 C ATOM 870 C GLY A 57 13.073 4.081 7.427 1.00 1.97 C ATOM 871 O GLY A 57 12.153 4.785 7.793 1.00 2.50 O ATOM 0 H GLY A 57 14.474 2.021 8.246 1.00 1.58 H new ATOM 0 HA2 GLY A 57 14.331 4.468 9.143 1.00 2.25 H new ATOM 0 HA3 GLY A 57 15.069 4.893 7.611 1.00 2.25 H new ATOM 875 N SER A 58 12.932 3.235 6.442 1.00 1.30 N ATOM 876 CA SER A 58 11.624 3.118 5.740 1.00 1.23 C ATOM 877 C SER A 58 11.167 4.491 5.244 1.00 1.03 C ATOM 878 O SER A 58 10.241 5.077 5.771 1.00 1.27 O ATOM 879 CB SER A 58 10.653 2.571 6.788 1.00 1.53 C ATOM 880 OG SER A 58 9.321 2.879 6.406 1.00 2.13 O ATOM 0 H SER A 58 13.667 2.620 6.094 1.00 1.30 H new ATOM 0 HA SER A 58 11.682 2.469 4.866 1.00 1.23 H new ATOM 0 HB2 SER A 58 10.775 1.492 6.884 1.00 1.53 H new ATOM 0 HB3 SER A 58 10.872 3.005 7.764 1.00 1.53 H new ATOM 0 HG SER A 58 9.167 3.842 6.503 1.00 2.13 H new ATOM 886 N GLU A 59 11.803 5.004 4.228 1.00 0.85 N ATOM 887 CA GLU A 59 11.403 6.328 3.690 1.00 0.87 C ATOM 888 C GLU A 59 9.984 6.226 3.098 1.00 0.76 C ATOM 889 O GLU A 59 9.323 7.221 2.880 1.00 1.06 O ATOM 890 CB GLU A 59 12.482 6.632 2.627 1.00 1.10 C ATOM 891 CG GLU A 59 11.912 7.439 1.459 1.00 1.05 C ATOM 892 CD GLU A 59 11.424 8.799 1.961 1.00 1.58 C ATOM 893 OE1 GLU A 59 12.169 9.445 2.681 1.00 2.22 O ATOM 894 OE2 GLU A 59 10.314 9.173 1.618 1.00 2.13 O ATOM 0 H GLU A 59 12.585 4.559 3.747 1.00 0.85 H new ATOM 0 HA GLU A 59 11.354 7.125 4.432 1.00 0.87 H new ATOM 0 HB2 GLU A 59 13.301 7.186 3.087 1.00 1.10 H new ATOM 0 HB3 GLU A 59 12.900 5.697 2.254 1.00 1.10 H new ATOM 0 HG2 GLU A 59 12.675 7.576 0.693 1.00 1.05 H new ATOM 0 HG3 GLU A 59 11.089 6.895 0.996 1.00 1.05 H new ATOM 901 N ILE A 60 9.517 5.033 2.840 1.00 0.59 N ATOM 902 CA ILE A 60 8.149 4.877 2.268 1.00 0.57 C ATOM 903 C ILE A 60 7.187 4.378 3.350 1.00 0.52 C ATOM 904 O ILE A 60 7.596 3.993 4.427 1.00 0.63 O ATOM 905 CB ILE A 60 8.293 3.834 1.156 1.00 0.68 C ATOM 906 CG1 ILE A 60 9.415 4.248 0.197 1.00 1.46 C ATOM 907 CG2 ILE A 60 6.979 3.734 0.381 1.00 1.34 C ATOM 908 CD1 ILE A 60 10.747 3.686 0.696 1.00 1.60 C ATOM 0 H ILE A 60 10.023 4.162 3.000 1.00 0.59 H new ATOM 0 HA ILE A 60 7.749 5.817 1.889 1.00 0.57 H new ATOM 0 HB ILE A 60 8.535 2.868 1.599 1.00 0.68 H new ATOM 0 HG12 ILE A 60 9.205 3.878 -0.806 1.00 1.46 H new ATOM 0 HG13 ILE A 60 9.469 5.335 0.131 1.00 1.46 H new ATOM 0 HG21 ILE A 60 7.079 2.992 -0.411 1.00 1.34 H new ATOM 0 HG22 ILE A 60 6.179 3.436 1.058 1.00 1.34 H new ATOM 0 HG23 ILE A 60 6.741 4.703 -0.058 1.00 1.34 H new ATOM 0 HD11 ILE A 60 11.545 3.981 0.014 1.00 1.60 H new ATOM 0 HD12 ILE A 60 10.957 4.078 1.691 1.00 1.60 H new ATOM 0 HD13 ILE A 60 10.690 2.598 0.739 1.00 1.60 H new ATOM 920 N ARG A 61 5.910 4.382 3.075 1.00 0.45 N ATOM 921 CA ARG A 61 4.932 3.907 4.095 1.00 0.45 C ATOM 922 C ARG A 61 3.916 2.953 3.459 1.00 0.41 C ATOM 923 O ARG A 61 3.167 3.326 2.579 1.00 0.55 O ATOM 924 CB ARG A 61 4.237 5.170 4.598 1.00 0.51 C ATOM 925 CG ARG A 61 4.966 5.695 5.836 1.00 0.75 C ATOM 926 CD ARG A 61 4.248 6.940 6.364 1.00 0.97 C ATOM 927 NE ARG A 61 4.701 7.076 7.775 1.00 1.30 N ATOM 928 CZ ARG A 61 4.351 8.119 8.477 1.00 1.66 C ATOM 929 NH1 ARG A 61 5.091 9.194 8.463 1.00 2.21 N ATOM 930 NH2 ARG A 61 3.260 8.088 9.193 1.00 2.19 N ATOM 0 H ARG A 61 5.504 4.692 2.192 1.00 0.45 H new ATOM 0 HA ARG A 61 5.417 3.358 4.902 1.00 0.45 H new ATOM 0 HB2 ARG A 61 4.231 5.930 3.817 1.00 0.51 H new ATOM 0 HB3 ARG A 61 3.197 4.953 4.840 1.00 0.51 H new ATOM 0 HG2 ARG A 61 4.996 4.925 6.607 1.00 0.75 H new ATOM 0 HG3 ARG A 61 5.999 5.937 5.587 1.00 0.75 H new ATOM 0 HD2 ARG A 61 4.507 7.823 5.779 1.00 0.97 H new ATOM 0 HD3 ARG A 61 3.166 6.826 6.306 1.00 0.97 H new ATOM 0 HE ARG A 61 5.286 6.353 8.194 1.00 1.30 H new ATOM 0 HH11 ARG A 61 5.943 9.219 7.903 1.00 2.21 H new ATOM 0 HH12 ARG A 61 4.817 10.009 9.012 1.00 2.21 H new ATOM 0 HH21 ARG A 61 2.681 7.248 9.204 1.00 2.19 H new ATOM 0 HH22 ARG A 61 2.987 8.903 9.742 1.00 2.19 H new ATOM 944 N LEU A 62 3.883 1.726 3.904 1.00 0.35 N ATOM 945 CA LEU A 62 2.912 0.750 3.332 1.00 0.36 C ATOM 946 C LEU A 62 1.567 0.873 4.054 1.00 0.32 C ATOM 947 O LEU A 62 1.511 0.919 5.266 1.00 0.38 O ATOM 948 CB LEU A 62 3.533 -0.624 3.585 1.00 0.48 C ATOM 949 CG LEU A 62 4.140 -1.158 2.287 1.00 0.73 C ATOM 950 CD1 LEU A 62 5.493 -0.486 2.044 1.00 1.59 C ATOM 951 CD2 LEU A 62 4.336 -2.670 2.399 1.00 1.22 C ATOM 0 H LEU A 62 4.487 1.357 4.639 1.00 0.35 H new ATOM 0 HA LEU A 62 2.726 0.920 2.272 1.00 0.36 H new ATOM 0 HB2 LEU A 62 4.301 -0.551 4.355 1.00 0.48 H new ATOM 0 HB3 LEU A 62 2.775 -1.314 3.955 1.00 0.48 H new ATOM 0 HG LEU A 62 3.470 -0.939 1.456 1.00 0.73 H new ATOM 0 HD11 LEU A 62 5.927 -0.866 1.119 1.00 1.59 H new ATOM 0 HD12 LEU A 62 5.355 0.592 1.964 1.00 1.59 H new ATOM 0 HD13 LEU A 62 6.163 -0.705 2.876 1.00 1.59 H new ATOM 0 HD21 LEU A 62 4.769 -3.050 1.474 1.00 1.22 H new ATOM 0 HD22 LEU A 62 5.006 -2.889 3.230 1.00 1.22 H new ATOM 0 HD23 LEU A 62 3.373 -3.150 2.573 1.00 1.22 H new ATOM 963 N ALA A 63 0.483 0.930 3.326 1.00 0.30 N ATOM 964 CA ALA A 63 -0.845 1.057 3.999 1.00 0.32 C ATOM 965 C ALA A 63 -1.870 0.117 3.361 1.00 0.31 C ATOM 966 O ALA A 63 -1.687 -0.365 2.260 1.00 0.37 O ATOM 967 CB ALA A 63 -1.255 2.515 3.794 1.00 0.37 C ATOM 0 H ALA A 63 0.458 0.895 2.307 1.00 0.30 H new ATOM 0 HA ALA A 63 -0.793 0.789 5.054 1.00 0.32 H new ATOM 0 HB1 ALA A 63 -2.224 2.690 4.261 1.00 0.37 H new ATOM 0 HB2 ALA A 63 -0.510 3.169 4.247 1.00 0.37 H new ATOM 0 HB3 ALA A 63 -1.323 2.727 2.727 1.00 0.37 H new ATOM 973 N LYS A 64 -2.948 -0.149 4.050 1.00 0.30 N ATOM 974 CA LYS A 64 -3.988 -1.062 3.488 1.00 0.32 C ATOM 975 C LYS A 64 -5.383 -0.442 3.642 1.00 0.32 C ATOM 976 O LYS A 64 -5.571 0.511 4.370 1.00 0.40 O ATOM 977 CB LYS A 64 -3.873 -2.348 4.312 1.00 0.38 C ATOM 978 CG LYS A 64 -4.235 -2.063 5.772 1.00 1.39 C ATOM 979 CD LYS A 64 -3.290 -2.836 6.695 1.00 1.60 C ATOM 980 CE LYS A 64 -3.893 -4.207 7.011 1.00 2.04 C ATOM 981 NZ LYS A 64 -3.413 -4.525 8.385 1.00 2.26 N ATOM 0 H LYS A 64 -3.154 0.225 4.976 1.00 0.30 H new ATOM 0 HA LYS A 64 -3.843 -1.246 2.423 1.00 0.32 H new ATOM 0 HB2 LYS A 64 -4.536 -3.112 3.906 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -2.858 -2.741 4.249 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -4.163 -0.994 5.973 1.00 1.39 H new ATOM 0 HG3 LYS A 64 -5.267 -2.355 5.965 1.00 1.39 H new ATOM 0 HD2 LYS A 64 -2.317 -2.956 6.219 1.00 1.60 H new ATOM 0 HD3 LYS A 64 -3.127 -2.277 7.617 1.00 1.60 H new ATOM 0 HE2 LYS A 64 -4.982 -4.180 6.969 1.00 2.04 H new ATOM 0 HE3 LYS A 64 -3.565 -4.959 6.293 1.00 2.04 H new ATOM 0 HZ1 LYS A 64 -3.784 -5.452 8.676 1.00 2.26 H new ATOM 0 HZ2 LYS A 64 -2.373 -4.550 8.392 1.00 2.26 H new ATOM 0 HZ3 LYS A 64 -3.746 -3.795 9.047 1.00 2.26 H new ATOM 995 N VAL A 65 -6.359 -0.979 2.960 1.00 0.30 N ATOM 996 CA VAL A 65 -7.740 -0.420 3.068 1.00 0.32 C ATOM 997 C VAL A 65 -8.763 -1.551 3.197 1.00 0.31 C ATOM 998 O VAL A 65 -8.563 -2.642 2.702 1.00 0.36 O ATOM 999 CB VAL A 65 -7.964 0.352 1.763 1.00 0.40 C ATOM 1000 CG1 VAL A 65 -9.422 0.819 1.678 1.00 0.45 C ATOM 1001 CG2 VAL A 65 -7.038 1.569 1.726 1.00 0.70 C ATOM 0 H VAL A 65 -6.261 -1.778 2.334 1.00 0.30 H new ATOM 0 HA VAL A 65 -7.855 0.217 3.945 1.00 0.32 H new ATOM 0 HB VAL A 65 -7.746 -0.301 0.918 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -9.575 1.367 0.748 1.00 0.45 H new ATOM 0 HG12 VAL A 65 -10.083 -0.047 1.702 1.00 0.45 H new ATOM 0 HG13 VAL A 65 -9.646 1.469 2.524 1.00 0.45 H new ATOM 0 HG21 VAL A 65 -7.197 2.119 0.798 1.00 0.70 H new ATOM 0 HG22 VAL A 65 -7.256 2.218 2.574 1.00 0.70 H new ATOM 0 HG23 VAL A 65 -6.001 1.239 1.779 1.00 0.70 H new ATOM 1011 N ASP A 66 -9.863 -1.293 3.847 1.00 0.35 N ATOM 1012 CA ASP A 66 -10.903 -2.347 3.994 1.00 0.39 C ATOM 1013 C ASP A 66 -12.045 -2.094 3.007 1.00 0.40 C ATOM 1014 O ASP A 66 -12.956 -1.337 3.278 1.00 0.44 O ATOM 1015 CB ASP A 66 -11.397 -2.226 5.436 1.00 0.47 C ATOM 1016 CG ASP A 66 -11.926 -3.582 5.909 1.00 0.67 C ATOM 1017 OD1 ASP A 66 -12.291 -4.381 5.064 1.00 1.38 O ATOM 1018 OD2 ASP A 66 -11.956 -3.798 7.110 1.00 1.30 O ATOM 0 H ASP A 66 -10.086 -0.398 4.282 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.515 -3.344 3.785 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -10.585 -1.894 6.083 1.00 0.47 H new ATOM 0 HB3 ASP A 66 -12.183 -1.474 5.500 1.00 0.47 H new ATOM 1023 N ALA A 67 -11.997 -2.716 1.860 1.00 0.40 N ATOM 1024 CA ALA A 67 -13.072 -2.514 0.840 1.00 0.46 C ATOM 1025 C ALA A 67 -14.462 -2.619 1.480 1.00 0.51 C ATOM 1026 O ALA A 67 -15.422 -2.061 0.988 1.00 0.57 O ATOM 1027 CB ALA A 67 -12.864 -3.638 -0.176 1.00 0.51 C ATOM 0 H ALA A 67 -11.256 -3.359 1.582 1.00 0.40 H new ATOM 0 HA ALA A 67 -13.018 -1.526 0.382 1.00 0.46 H new ATOM 0 HB1 ALA A 67 -13.616 -3.562 -0.962 1.00 0.51 H new ATOM 0 HB2 ALA A 67 -11.870 -3.552 -0.615 1.00 0.51 H new ATOM 0 HB3 ALA A 67 -12.958 -4.602 0.324 1.00 0.51 H new ATOM 1033 N THR A 68 -14.581 -3.324 2.571 1.00 0.53 N ATOM 1034 CA THR A 68 -15.913 -3.452 3.231 1.00 0.62 C ATOM 1035 C THR A 68 -16.092 -2.357 4.289 1.00 0.64 C ATOM 1036 O THR A 68 -16.954 -2.441 5.142 1.00 0.86 O ATOM 1037 CB THR A 68 -15.897 -4.832 3.883 1.00 0.66 C ATOM 1038 OG1 THR A 68 -14.740 -4.953 4.698 1.00 1.29 O ATOM 1039 CG2 THR A 68 -15.876 -5.907 2.797 1.00 1.35 C ATOM 0 H THR A 68 -13.817 -3.816 3.034 1.00 0.53 H new ATOM 0 HA THR A 68 -16.736 -3.343 2.525 1.00 0.62 H new ATOM 0 HB THR A 68 -16.788 -4.958 4.498 1.00 0.66 H new ATOM 0 HG1 THR A 68 -15.009 -5.118 5.626 1.00 1.29 H new ATOM 0 HG21 THR A 68 -15.865 -6.893 3.261 1.00 1.35 H new ATOM 0 HG22 THR A 68 -16.764 -5.810 2.172 1.00 1.35 H new ATOM 0 HG23 THR A 68 -14.984 -5.785 2.182 1.00 1.35 H new ATOM 1047 N GLU A 69 -15.290 -1.327 4.236 1.00 0.57 N ATOM 1048 CA GLU A 69 -15.418 -0.227 5.232 1.00 0.61 C ATOM 1049 C GLU A 69 -15.319 1.123 4.520 1.00 0.57 C ATOM 1050 O GLU A 69 -16.177 1.972 4.656 1.00 0.66 O ATOM 1051 CB GLU A 69 -14.243 -0.416 6.192 1.00 0.63 C ATOM 1052 CG GLU A 69 -14.613 0.147 7.566 1.00 0.83 C ATOM 1053 CD GLU A 69 -13.753 1.377 7.864 1.00 1.50 C ATOM 1054 OE1 GLU A 69 -14.101 2.447 7.392 1.00 2.10 O ATOM 1055 OE2 GLU A 69 -12.761 1.228 8.559 1.00 2.22 O ATOM 0 H GLU A 69 -14.551 -1.201 3.544 1.00 0.57 H new ATOM 0 HA GLU A 69 -16.373 -0.248 5.758 1.00 0.61 H new ATOM 0 HB2 GLU A 69 -13.994 -1.474 6.275 1.00 0.63 H new ATOM 0 HB3 GLU A 69 -13.358 0.090 5.806 1.00 0.63 H new ATOM 0 HG2 GLU A 69 -15.669 0.415 7.588 1.00 0.83 H new ATOM 0 HG3 GLU A 69 -14.460 -0.611 8.334 1.00 0.83 H new ATOM 1062 N GLU A 70 -14.281 1.326 3.752 1.00 0.52 N ATOM 1063 CA GLU A 70 -14.140 2.619 3.025 1.00 0.57 C ATOM 1064 C GLU A 70 -14.101 2.366 1.515 1.00 0.72 C ATOM 1065 O GLU A 70 -13.285 2.915 0.801 1.00 1.34 O ATOM 1066 CB GLU A 70 -12.818 3.215 3.516 1.00 0.71 C ATOM 1067 CG GLU A 70 -11.655 2.311 3.107 1.00 1.05 C ATOM 1068 CD GLU A 70 -12.195 1.117 2.317 1.00 1.37 C ATOM 1069 OE1 GLU A 70 -12.635 0.168 2.944 1.00 1.97 O ATOM 1070 OE2 GLU A 70 -12.158 1.173 1.099 1.00 1.89 O ATOM 0 H GLU A 70 -13.529 0.655 3.598 1.00 0.52 H new ATOM 0 HA GLU A 70 -14.974 3.295 3.211 1.00 0.57 H new ATOM 0 HB2 GLU A 70 -12.680 4.211 3.096 1.00 0.71 H new ATOM 0 HB3 GLU A 70 -12.840 3.326 4.600 1.00 0.71 H new ATOM 0 HG2 GLU A 70 -10.941 2.869 2.501 1.00 1.05 H new ATOM 0 HG3 GLU A 70 -11.120 1.965 3.991 1.00 1.05 H new ATOM 1077 N SER A 71 -14.985 1.537 1.026 1.00 0.55 N ATOM 1078 CA SER A 71 -15.011 1.241 -0.436 1.00 0.66 C ATOM 1079 C SER A 71 -15.164 2.534 -1.242 1.00 0.70 C ATOM 1080 O SER A 71 -14.856 2.583 -2.416 1.00 0.94 O ATOM 1081 CB SER A 71 -16.229 0.335 -0.631 1.00 0.79 C ATOM 1082 OG SER A 71 -17.380 1.128 -0.896 1.00 1.48 O ATOM 0 H SER A 71 -15.692 1.051 1.578 1.00 0.55 H new ATOM 0 HA SER A 71 -14.090 0.768 -0.778 1.00 0.66 H new ATOM 0 HB2 SER A 71 -16.053 -0.354 -1.457 1.00 0.79 H new ATOM 0 HB3 SER A 71 -16.390 -0.270 0.261 1.00 0.79 H new ATOM 0 HG SER A 71 -18.157 0.545 -1.022 1.00 1.48 H new ATOM 1088 N ASP A 72 -15.644 3.579 -0.619 1.00 0.67 N ATOM 1089 CA ASP A 72 -15.829 4.878 -1.340 1.00 0.71 C ATOM 1090 C ASP A 72 -14.594 5.221 -2.182 1.00 0.68 C ATOM 1091 O ASP A 72 -14.683 5.916 -3.175 1.00 0.77 O ATOM 1092 CB ASP A 72 -16.027 5.913 -0.234 1.00 0.78 C ATOM 1093 CG ASP A 72 -17.418 6.537 -0.363 1.00 1.08 C ATOM 1094 OD1 ASP A 72 -18.346 5.994 0.214 1.00 1.83 O ATOM 1095 OD2 ASP A 72 -17.532 7.546 -1.038 1.00 1.57 O ATOM 0 H ASP A 72 -15.918 3.590 0.364 1.00 0.67 H new ATOM 0 HA ASP A 72 -16.671 4.843 -2.031 1.00 0.71 H new ATOM 0 HB2 ASP A 72 -15.917 5.443 0.743 1.00 0.78 H new ATOM 0 HB3 ASP A 72 -15.262 6.686 -0.304 1.00 0.78 H new ATOM 1100 N LEU A 73 -13.446 4.736 -1.799 1.00 0.63 N ATOM 1101 CA LEU A 73 -12.213 5.034 -2.586 1.00 0.68 C ATOM 1102 C LEU A 73 -11.979 3.931 -3.616 1.00 0.60 C ATOM 1103 O LEU A 73 -11.675 4.188 -4.763 1.00 0.64 O ATOM 1104 CB LEU A 73 -11.072 5.064 -1.565 1.00 0.83 C ATOM 1105 CG LEU A 73 -11.432 6.004 -0.411 1.00 0.79 C ATOM 1106 CD1 LEU A 73 -11.608 5.192 0.876 1.00 1.22 C ATOM 1107 CD2 LEU A 73 -10.312 7.027 -0.218 1.00 0.97 C ATOM 0 H LEU A 73 -13.306 4.148 -0.978 1.00 0.63 H new ATOM 0 HA LEU A 73 -12.289 5.976 -3.129 1.00 0.68 H new ATOM 0 HB2 LEU A 73 -10.887 4.060 -1.184 1.00 0.83 H new ATOM 0 HB3 LEU A 73 -10.152 5.398 -2.044 1.00 0.83 H new ATOM 0 HG LEU A 73 -12.362 6.522 -0.643 1.00 0.79 H new ATOM 0 HD11 LEU A 73 -11.864 5.862 1.697 1.00 1.22 H new ATOM 0 HD12 LEU A 73 -12.407 4.463 0.740 1.00 1.22 H new ATOM 0 HD13 LEU A 73 -10.678 4.672 1.108 1.00 1.22 H new ATOM 0 HD21 LEU A 73 -10.568 7.696 0.603 1.00 0.97 H new ATOM 0 HD22 LEU A 73 -9.381 6.508 0.013 1.00 0.97 H new ATOM 0 HD23 LEU A 73 -10.187 7.607 -1.133 1.00 0.97 H new ATOM 1119 N ALA A 74 -12.126 2.701 -3.211 1.00 0.57 N ATOM 1120 CA ALA A 74 -11.919 1.573 -4.161 1.00 0.56 C ATOM 1121 C ALA A 74 -12.902 1.686 -5.328 1.00 0.59 C ATOM 1122 O ALA A 74 -12.515 1.692 -6.479 1.00 0.65 O ATOM 1123 CB ALA A 74 -12.197 0.313 -3.342 1.00 0.60 C ATOM 0 H ALA A 74 -12.381 2.428 -2.262 1.00 0.57 H new ATOM 0 HA ALA A 74 -10.916 1.566 -4.589 1.00 0.56 H new ATOM 0 HB1 ALA A 74 -12.066 -0.567 -3.972 1.00 0.60 H new ATOM 0 HB2 ALA A 74 -11.504 0.265 -2.502 1.00 0.60 H new ATOM 0 HB3 ALA A 74 -13.220 0.341 -2.967 1.00 0.60 H new ATOM 1129 N GLN A 75 -14.172 1.779 -5.040 1.00 0.64 N ATOM 1130 CA GLN A 75 -15.173 1.897 -6.139 1.00 0.76 C ATOM 1131 C GLN A 75 -14.853 3.114 -7.008 1.00 0.78 C ATOM 1132 O GLN A 75 -15.240 3.187 -8.157 1.00 0.86 O ATOM 1133 CB GLN A 75 -16.521 2.074 -5.439 1.00 0.87 C ATOM 1134 CG GLN A 75 -16.491 3.322 -4.556 1.00 1.42 C ATOM 1135 CD GLN A 75 -17.569 4.303 -5.022 1.00 1.83 C ATOM 1136 OE1 GLN A 75 -18.706 4.218 -4.601 1.00 2.35 O ATOM 1137 NE2 GLN A 75 -17.260 5.236 -5.881 1.00 2.40 N ATOM 0 H GLN A 75 -14.558 1.778 -4.096 1.00 0.64 H new ATOM 0 HA GLN A 75 -15.172 1.026 -6.794 1.00 0.76 H new ATOM 0 HB2 GLN A 75 -17.316 2.161 -6.180 1.00 0.87 H new ATOM 0 HB3 GLN A 75 -16.744 1.195 -4.834 1.00 0.87 H new ATOM 0 HG2 GLN A 75 -16.660 3.048 -3.515 1.00 1.42 H new ATOM 0 HG3 GLN A 75 -15.509 3.793 -4.607 1.00 1.42 H new ATOM 0 HE21 GLN A 75 -16.306 5.308 -6.235 1.00 2.40 H new ATOM 0 HE22 GLN A 75 -17.973 5.893 -6.199 1.00 2.40 H new ATOM 1146 N GLN A 76 -14.146 4.067 -6.467 1.00 0.76 N ATOM 1147 CA GLN A 76 -13.797 5.277 -7.263 1.00 0.84 C ATOM 1148 C GLN A 76 -12.831 4.902 -8.387 1.00 0.83 C ATOM 1149 O GLN A 76 -12.886 5.441 -9.475 1.00 0.94 O ATOM 1150 CB GLN A 76 -13.124 6.224 -6.270 1.00 0.89 C ATOM 1151 CG GLN A 76 -13.637 7.647 -6.496 1.00 1.14 C ATOM 1152 CD GLN A 76 -12.454 8.616 -6.525 1.00 1.49 C ATOM 1153 OE1 GLN A 76 -11.978 8.981 -7.582 1.00 2.20 O ATOM 1154 NE2 GLN A 76 -11.956 9.051 -5.400 1.00 1.97 N ATOM 0 H GLN A 76 -13.795 4.060 -5.509 1.00 0.76 H new ATOM 0 HA GLN A 76 -14.670 5.733 -7.730 1.00 0.84 H new ATOM 0 HB2 GLN A 76 -13.335 5.908 -5.249 1.00 0.89 H new ATOM 0 HB3 GLN A 76 -12.042 6.192 -6.396 1.00 0.89 H new ATOM 0 HG2 GLN A 76 -14.189 7.701 -7.434 1.00 1.14 H new ATOM 0 HG3 GLN A 76 -14.330 7.926 -5.702 1.00 1.14 H new ATOM 0 HE21 GLN A 76 -12.356 8.745 -4.513 1.00 1.97 H new ATOM 0 HE22 GLN A 76 -11.167 9.698 -5.408 1.00 1.97 H new ATOM 1163 N TYR A 77 -11.947 3.979 -8.132 1.00 0.74 N ATOM 1164 CA TYR A 77 -10.977 3.564 -9.185 1.00 0.81 C ATOM 1165 C TYR A 77 -11.551 2.402 -9.995 1.00 0.83 C ATOM 1166 O TYR A 77 -11.485 2.381 -11.209 1.00 1.00 O ATOM 1167 CB TYR A 77 -9.729 3.119 -8.421 1.00 0.80 C ATOM 1168 CG TYR A 77 -8.973 4.332 -7.934 1.00 0.81 C ATOM 1169 CD1 TYR A 77 -8.245 5.113 -8.840 1.00 1.42 C ATOM 1170 CD2 TYR A 77 -9.003 4.678 -6.578 1.00 1.18 C ATOM 1171 CE1 TYR A 77 -7.546 6.238 -8.390 1.00 1.56 C ATOM 1172 CE2 TYR A 77 -8.303 5.805 -6.128 1.00 1.19 C ATOM 1173 CZ TYR A 77 -7.570 6.579 -7.025 1.00 1.05 C ATOM 1174 OH TYR A 77 -6.885 7.696 -6.590 1.00 1.22 O ATOM 0 H TYR A 77 -11.853 3.493 -7.240 1.00 0.74 H new ATOM 0 HA TYR A 77 -10.758 4.368 -9.888 1.00 0.81 H new ATOM 0 HB2 TYR A 77 -10.012 2.491 -7.576 1.00 0.80 H new ATOM 0 HB3 TYR A 77 -9.091 2.516 -9.067 1.00 0.80 H new ATOM 0 HD1 TYR A 77 -8.223 4.847 -9.886 1.00 1.42 H new ATOM 0 HD2 TYR A 77 -9.565 4.077 -5.879 1.00 1.18 H new ATOM 0 HE1 TYR A 77 -6.989 6.844 -9.089 1.00 1.56 H new ATOM 0 HE2 TYR A 77 -8.332 6.075 -5.083 1.00 1.19 H new ATOM 0 HH TYR A 77 -5.960 7.451 -6.380 1.00 1.22 H new ATOM 1184 N GLY A 78 -12.111 1.435 -9.330 1.00 0.78 N ATOM 1185 CA GLY A 78 -12.691 0.266 -10.048 1.00 0.87 C ATOM 1186 C GLY A 78 -12.327 -1.012 -9.293 1.00 0.88 C ATOM 1187 O GLY A 78 -13.183 -1.755 -8.858 1.00 1.52 O ATOM 0 H GLY A 78 -12.193 1.402 -8.314 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -13.774 0.367 -10.118 1.00 0.87 H new ATOM 0 HA3 GLY A 78 -12.308 0.223 -11.068 1.00 0.87 H new ATOM 1191 N VAL A 79 -11.058 -1.269 -9.130 1.00 0.80 N ATOM 1192 CA VAL A 79 -10.631 -2.494 -8.395 1.00 0.79 C ATOM 1193 C VAL A 79 -11.329 -3.733 -8.965 1.00 1.13 C ATOM 1194 O VAL A 79 -12.442 -4.053 -8.601 1.00 1.54 O ATOM 1195 CB VAL A 79 -11.064 -2.250 -6.950 1.00 0.76 C ATOM 1196 CG1 VAL A 79 -10.650 -3.440 -6.086 1.00 1.30 C ATOM 1197 CG2 VAL A 79 -10.393 -0.980 -6.423 1.00 0.72 C ATOM 0 H VAL A 79 -10.297 -0.683 -9.474 1.00 0.80 H new ATOM 0 HA VAL A 79 -9.559 -2.674 -8.479 1.00 0.79 H new ATOM 0 HB VAL A 79 -12.147 -2.132 -6.911 1.00 0.76 H new ATOM 0 HG11 VAL A 79 -10.959 -3.266 -5.055 1.00 1.30 H new ATOM 0 HG12 VAL A 79 -11.128 -4.345 -6.460 1.00 1.30 H new ATOM 0 HG13 VAL A 79 -9.567 -3.559 -6.125 1.00 1.30 H new ATOM 0 HG21 VAL A 79 -10.702 -0.806 -5.392 1.00 0.72 H new ATOM 0 HG22 VAL A 79 -9.310 -1.098 -6.462 1.00 0.72 H new ATOM 0 HG23 VAL A 79 -10.688 -0.130 -7.039 1.00 0.72 H new ATOM 1207 N ARG A 80 -10.681 -4.432 -9.858 1.00 1.27 N ATOM 1208 CA ARG A 80 -11.308 -5.650 -10.449 1.00 1.72 C ATOM 1209 C ARG A 80 -11.080 -6.858 -9.536 1.00 1.38 C ATOM 1210 O ARG A 80 -10.597 -7.889 -9.962 1.00 1.87 O ATOM 1211 CB ARG A 80 -10.600 -5.847 -11.790 1.00 2.38 C ATOM 1212 CG ARG A 80 -11.628 -5.802 -12.923 1.00 2.85 C ATOM 1213 CD ARG A 80 -11.173 -6.717 -14.062 1.00 3.49 C ATOM 1214 NE ARG A 80 -11.870 -8.011 -13.819 1.00 4.06 N ATOM 1215 CZ ARG A 80 -11.367 -9.120 -14.284 1.00 4.70 C ATOM 1216 NH1 ARG A 80 -10.355 -9.682 -13.680 1.00 5.25 N ATOM 1217 NH2 ARG A 80 -11.872 -9.667 -15.356 1.00 5.09 N ATOM 0 H ARG A 80 -9.747 -4.213 -10.203 1.00 1.27 H new ATOM 0 HA ARG A 80 -12.386 -5.544 -10.570 1.00 1.72 H new ATOM 0 HB2 ARG A 80 -9.850 -5.070 -11.935 1.00 2.38 H new ATOM 0 HB3 ARG A 80 -10.075 -6.802 -11.799 1.00 2.38 H new ATOM 0 HG2 ARG A 80 -12.604 -6.119 -12.556 1.00 2.85 H new ATOM 0 HG3 ARG A 80 -11.740 -4.780 -13.286 1.00 2.85 H new ATOM 0 HD2 ARG A 80 -11.441 -6.301 -15.033 1.00 3.49 H new ATOM 0 HD3 ARG A 80 -10.091 -6.845 -14.057 1.00 3.49 H new ATOM 0 HE ARG A 80 -12.741 -8.029 -13.289 1.00 4.06 H new ATOM 0 HH11 ARG A 80 -9.958 -9.253 -12.844 1.00 5.25 H new ATOM 0 HH12 ARG A 80 -9.962 -10.550 -14.044 1.00 5.25 H new ATOM 0 HH21 ARG A 80 -12.660 -9.227 -15.830 1.00 5.09 H new ATOM 0 HH22 ARG A 80 -11.478 -10.535 -15.720 1.00 5.09 H new ATOM 1231 N GLY A 81 -11.425 -6.739 -8.282 1.00 0.87 N ATOM 1232 CA GLY A 81 -11.227 -7.879 -7.344 1.00 0.81 C ATOM 1233 C GLY A 81 -10.084 -7.556 -6.381 1.00 0.74 C ATOM 1234 O GLY A 81 -9.262 -6.699 -6.642 1.00 1.17 O ATOM 0 H GLY A 81 -11.835 -5.902 -7.868 1.00 0.87 H new ATOM 0 HA2 GLY A 81 -12.144 -8.068 -6.786 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -11.001 -8.788 -7.902 1.00 0.81 H new ATOM 1238 N TYR A 82 -10.023 -8.236 -5.268 1.00 0.61 N ATOM 1239 CA TYR A 82 -8.930 -7.967 -4.287 1.00 0.52 C ATOM 1240 C TYR A 82 -7.859 -9.070 -4.379 1.00 0.54 C ATOM 1241 O TYR A 82 -8.141 -10.145 -4.870 1.00 0.61 O ATOM 1242 CB TYR A 82 -9.605 -7.996 -2.909 1.00 0.59 C ATOM 1243 CG TYR A 82 -10.804 -7.072 -2.891 1.00 0.61 C ATOM 1244 CD1 TYR A 82 -10.731 -5.826 -3.526 1.00 0.64 C ATOM 1245 CD2 TYR A 82 -11.985 -7.459 -2.244 1.00 0.97 C ATOM 1246 CE1 TYR A 82 -11.837 -4.967 -3.513 1.00 0.68 C ATOM 1247 CE2 TYR A 82 -13.091 -6.599 -2.233 1.00 1.04 C ATOM 1248 CZ TYR A 82 -13.030 -5.373 -2.850 1.00 0.75 C ATOM 1249 OH TYR A 82 -14.107 -4.508 -2.854 1.00 0.85 O ATOM 0 H TYR A 82 -10.681 -8.966 -4.995 1.00 0.61 H new ATOM 0 HA TYR A 82 -8.434 -7.015 -4.475 1.00 0.52 H new ATOM 0 HB2 TYR A 82 -9.917 -9.013 -2.671 1.00 0.59 H new ATOM 0 HB3 TYR A 82 -8.893 -7.693 -2.141 1.00 0.59 H new ATOM 0 HD1 TYR A 82 -9.821 -5.527 -4.026 1.00 0.64 H new ATOM 0 HD2 TYR A 82 -12.043 -8.420 -1.754 1.00 0.97 H new ATOM 0 HE1 TYR A 82 -11.786 -4.005 -4.001 1.00 0.68 H new ATOM 0 HE2 TYR A 82 -14.000 -6.903 -1.735 1.00 1.04 H new ATOM 0 HH TYR A 82 -14.854 -4.913 -2.366 1.00 0.85 H new ATOM 1259 N PRO A 83 -6.658 -8.782 -3.912 1.00 0.54 N ATOM 1260 CA PRO A 83 -6.320 -7.468 -3.315 1.00 0.51 C ATOM 1261 C PRO A 83 -5.787 -6.513 -4.390 1.00 0.51 C ATOM 1262 O PRO A 83 -5.157 -6.927 -5.342 1.00 0.63 O ATOM 1263 CB PRO A 83 -5.219 -7.819 -2.322 1.00 0.59 C ATOM 1264 CG PRO A 83 -4.592 -9.086 -2.837 1.00 0.66 C ATOM 1265 CD PRO A 83 -5.501 -9.675 -3.895 1.00 0.64 C ATOM 0 HA PRO A 83 -7.173 -6.967 -2.857 1.00 0.51 H new ATOM 0 HB2 PRO A 83 -4.483 -7.018 -2.255 1.00 0.59 H new ATOM 0 HB3 PRO A 83 -5.626 -7.963 -1.321 1.00 0.59 H new ATOM 0 HG2 PRO A 83 -3.607 -8.878 -3.256 1.00 0.66 H new ATOM 0 HG3 PRO A 83 -4.449 -9.796 -2.023 1.00 0.66 H new ATOM 0 HD2 PRO A 83 -5.010 -9.709 -4.868 1.00 0.64 H new ATOM 0 HD3 PRO A 83 -5.790 -10.696 -3.648 1.00 0.64 H new ATOM 1273 N THR A 84 -6.024 -5.237 -4.242 1.00 0.45 N ATOM 1274 CA THR A 84 -5.516 -4.264 -5.253 1.00 0.45 C ATOM 1275 C THR A 84 -4.452 -3.363 -4.618 1.00 0.43 C ATOM 1276 O THR A 84 -4.715 -2.653 -3.668 1.00 0.52 O ATOM 1277 CB THR A 84 -6.737 -3.442 -5.675 1.00 0.48 C ATOM 1278 OG1 THR A 84 -7.903 -4.251 -5.599 1.00 0.67 O ATOM 1279 CG2 THR A 84 -6.550 -2.949 -7.110 1.00 0.56 C ATOM 0 H THR A 84 -6.546 -4.827 -3.467 1.00 0.45 H new ATOM 0 HA THR A 84 -5.052 -4.759 -6.107 1.00 0.45 H new ATOM 0 HB THR A 84 -6.845 -2.586 -5.009 1.00 0.48 H new ATOM 0 HG1 THR A 84 -7.805 -5.023 -6.195 1.00 0.67 H new ATOM 0 HG21 THR A 84 -7.419 -2.364 -7.410 1.00 0.56 H new ATOM 0 HG22 THR A 84 -5.657 -2.327 -7.168 1.00 0.56 H new ATOM 0 HG23 THR A 84 -6.440 -3.804 -7.777 1.00 0.56 H new ATOM 1287 N ILE A 85 -3.248 -3.394 -5.125 1.00 0.41 N ATOM 1288 CA ILE A 85 -2.172 -2.547 -4.537 1.00 0.41 C ATOM 1289 C ILE A 85 -1.809 -1.395 -5.480 1.00 0.41 C ATOM 1290 O ILE A 85 -1.573 -1.593 -6.656 1.00 0.54 O ATOM 1291 CB ILE A 85 -0.982 -3.490 -4.366 1.00 0.50 C ATOM 1292 CG1 ILE A 85 -1.396 -4.679 -3.496 1.00 0.89 C ATOM 1293 CG2 ILE A 85 0.171 -2.744 -3.693 1.00 0.80 C ATOM 1294 CD1 ILE A 85 -1.771 -5.861 -4.394 1.00 1.27 C ATOM 0 H ILE A 85 -2.965 -3.968 -5.919 1.00 0.41 H new ATOM 0 HA ILE A 85 -2.480 -2.092 -3.595 1.00 0.41 H new ATOM 0 HB ILE A 85 -0.660 -3.848 -5.344 1.00 0.50 H new ATOM 0 HG12 ILE A 85 -0.579 -4.959 -2.831 1.00 0.89 H new ATOM 0 HG13 ILE A 85 -2.242 -4.405 -2.865 1.00 0.89 H new ATOM 0 HG21 ILE A 85 1.019 -3.418 -3.572 1.00 0.80 H new ATOM 0 HG22 ILE A 85 0.467 -1.897 -4.312 1.00 0.80 H new ATOM 0 HG23 ILE A 85 -0.150 -2.385 -2.715 1.00 0.80 H new ATOM 0 HD11 ILE A 85 -2.066 -6.709 -3.775 1.00 1.27 H new ATOM 0 HD12 ILE A 85 -2.601 -5.577 -5.041 1.00 1.27 H new ATOM 0 HD13 ILE A 85 -0.913 -6.140 -5.006 1.00 1.27 H new ATOM 1306 N LYS A 86 -1.750 -0.195 -4.968 1.00 0.37 N ATOM 1307 CA LYS A 86 -1.388 0.969 -5.828 1.00 0.40 C ATOM 1308 C LYS A 86 -0.308 1.805 -5.137 1.00 0.38 C ATOM 1309 O LYS A 86 -0.018 1.619 -3.973 1.00 0.49 O ATOM 1310 CB LYS A 86 -2.674 1.781 -5.980 1.00 0.48 C ATOM 1311 CG LYS A 86 -3.794 0.879 -6.505 1.00 0.94 C ATOM 1312 CD LYS A 86 -4.786 1.720 -7.311 1.00 1.03 C ATOM 1313 CE LYS A 86 -6.041 0.895 -7.602 1.00 1.37 C ATOM 1314 NZ LYS A 86 -7.165 1.869 -7.524 1.00 1.73 N ATOM 0 H LYS A 86 -1.937 0.030 -3.991 1.00 0.37 H new ATOM 0 HA LYS A 86 -0.994 0.659 -6.796 1.00 0.40 H new ATOM 0 HB2 LYS A 86 -2.960 2.211 -5.020 1.00 0.48 H new ATOM 0 HB3 LYS A 86 -2.512 2.612 -6.666 1.00 0.48 H new ATOM 0 HG2 LYS A 86 -3.377 0.089 -7.130 1.00 0.94 H new ATOM 0 HG3 LYS A 86 -4.304 0.392 -5.674 1.00 0.94 H new ATOM 0 HD2 LYS A 86 -5.051 2.620 -6.756 1.00 1.03 H new ATOM 0 HD3 LYS A 86 -4.328 2.045 -8.245 1.00 1.03 H new ATOM 0 HE2 LYS A 86 -5.989 0.430 -8.586 1.00 1.37 H new ATOM 0 HE3 LYS A 86 -6.163 0.091 -6.876 1.00 1.37 H new ATOM 0 HZ1 LYS A 86 -8.070 1.358 -7.560 1.00 1.73 H new ATOM 0 HZ2 LYS A 86 -7.103 2.400 -6.632 1.00 1.73 H new ATOM 0 HZ3 LYS A 86 -7.108 2.530 -8.325 1.00 1.73 H new ATOM 1328 N PHE A 87 0.288 2.726 -5.841 1.00 0.37 N ATOM 1329 CA PHE A 87 1.348 3.567 -5.214 1.00 0.36 C ATOM 1330 C PHE A 87 1.083 5.048 -5.493 1.00 0.33 C ATOM 1331 O PHE A 87 0.960 5.465 -6.627 1.00 0.37 O ATOM 1332 CB PHE A 87 2.654 3.120 -5.875 1.00 0.42 C ATOM 1333 CG PHE A 87 3.813 3.906 -5.305 1.00 0.46 C ATOM 1334 CD1 PHE A 87 3.891 4.152 -3.927 1.00 0.44 C ATOM 1335 CD2 PHE A 87 4.814 4.387 -6.157 1.00 0.81 C ATOM 1336 CE1 PHE A 87 4.967 4.878 -3.405 1.00 0.46 C ATOM 1337 CE2 PHE A 87 5.891 5.113 -5.634 1.00 0.97 C ATOM 1338 CZ PHE A 87 5.967 5.359 -4.258 1.00 0.72 C ATOM 0 H PHE A 87 0.089 2.933 -6.820 1.00 0.37 H new ATOM 0 HA PHE A 87 1.380 3.450 -4.131 1.00 0.36 H new ATOM 0 HB2 PHE A 87 2.810 2.054 -5.709 1.00 0.42 H new ATOM 0 HB3 PHE A 87 2.596 3.270 -6.953 1.00 0.42 H new ATOM 0 HD1 PHE A 87 3.120 3.781 -3.268 1.00 0.44 H new ATOM 0 HD2 PHE A 87 4.756 4.198 -7.219 1.00 0.81 H new ATOM 0 HE1 PHE A 87 5.026 5.067 -2.343 1.00 0.46 H new ATOM 0 HE2 PHE A 87 6.663 5.483 -6.292 1.00 0.97 H new ATOM 0 HZ PHE A 87 6.797 5.920 -3.855 1.00 0.72 H new ATOM 1348 N PHE A 88 0.993 5.846 -4.465 1.00 0.33 N ATOM 1349 CA PHE A 88 0.733 7.295 -4.672 1.00 0.35 C ATOM 1350 C PHE A 88 1.924 8.121 -4.178 1.00 0.42 C ATOM 1351 O PHE A 88 2.312 8.041 -3.030 1.00 0.61 O ATOM 1352 CB PHE A 88 -0.507 7.584 -3.832 1.00 0.39 C ATOM 1353 CG PHE A 88 -1.738 7.127 -4.578 1.00 0.42 C ATOM 1354 CD1 PHE A 88 -2.080 5.768 -4.597 1.00 0.63 C ATOM 1355 CD2 PHE A 88 -2.537 8.058 -5.253 1.00 0.54 C ATOM 1356 CE1 PHE A 88 -3.220 5.343 -5.289 1.00 0.73 C ATOM 1357 CE2 PHE A 88 -3.677 7.632 -5.945 1.00 0.62 C ATOM 1358 CZ PHE A 88 -4.018 6.274 -5.964 1.00 0.62 C ATOM 0 H PHE A 88 1.088 5.556 -3.492 1.00 0.33 H new ATOM 0 HA PHE A 88 0.588 7.550 -5.722 1.00 0.35 H new ATOM 0 HB2 PHE A 88 -0.438 7.070 -2.873 1.00 0.39 H new ATOM 0 HB3 PHE A 88 -0.574 8.651 -3.618 1.00 0.39 H new ATOM 0 HD1 PHE A 88 -1.464 5.049 -4.078 1.00 0.63 H new ATOM 0 HD2 PHE A 88 -2.274 9.105 -5.240 1.00 0.54 H new ATOM 0 HE1 PHE A 88 -3.484 4.296 -5.302 1.00 0.73 H new ATOM 0 HE2 PHE A 88 -4.294 8.351 -6.464 1.00 0.62 H new ATOM 0 HZ PHE A 88 -4.896 5.945 -6.499 1.00 0.62 H new ATOM 1368 N ARG A 89 2.508 8.913 -5.036 1.00 0.47 N ATOM 1369 CA ARG A 89 3.674 9.739 -4.610 1.00 0.55 C ATOM 1370 C ARG A 89 3.263 11.207 -4.463 1.00 0.64 C ATOM 1371 O ARG A 89 2.637 11.779 -5.333 1.00 1.05 O ATOM 1372 CB ARG A 89 4.714 9.577 -5.722 1.00 0.73 C ATOM 1373 CG ARG A 89 4.101 9.971 -7.068 1.00 1.15 C ATOM 1374 CD ARG A 89 4.975 11.035 -7.736 1.00 1.42 C ATOM 1375 NE ARG A 89 6.155 10.290 -8.257 1.00 1.73 N ATOM 1376 CZ ARG A 89 7.169 10.941 -8.760 1.00 2.07 C ATOM 1377 NH1 ARG A 89 7.001 11.706 -9.803 1.00 2.43 N ATOM 1378 NH2 ARG A 89 8.351 10.824 -8.219 1.00 2.56 N ATOM 0 H ARG A 89 2.229 9.024 -6.011 1.00 0.47 H new ATOM 0 HA ARG A 89 4.066 9.424 -3.643 1.00 0.55 H new ATOM 0 HB2 ARG A 89 5.584 10.200 -5.512 1.00 0.73 H new ATOM 0 HB3 ARG A 89 5.062 8.545 -5.759 1.00 0.73 H new ATOM 0 HG2 ARG A 89 4.019 9.096 -7.712 1.00 1.15 H new ATOM 0 HG3 ARG A 89 3.091 10.354 -6.921 1.00 1.15 H new ATOM 0 HD2 ARG A 89 4.439 11.538 -8.541 1.00 1.42 H new ATOM 0 HD3 ARG A 89 5.276 11.803 -7.024 1.00 1.42 H new ATOM 0 HE ARG A 89 6.171 9.271 -8.221 1.00 1.73 H new ATOM 0 HH11 ARG A 89 6.077 11.796 -10.226 1.00 2.43 H new ATOM 0 HH12 ARG A 89 7.793 12.214 -10.196 1.00 2.43 H new ATOM 0 HH21 ARG A 89 8.482 10.225 -7.404 1.00 2.56 H new ATOM 0 HH22 ARG A 89 9.144 11.332 -8.611 1.00 2.56 H new ATOM 1392 N ASN A 90 3.609 11.820 -3.363 1.00 0.57 N ATOM 1393 CA ASN A 90 3.240 13.252 -3.157 1.00 0.68 C ATOM 1394 C ASN A 90 1.744 13.461 -3.413 1.00 0.69 C ATOM 1395 O ASN A 90 1.308 14.541 -3.758 1.00 0.98 O ATOM 1396 CB ASN A 90 4.074 14.024 -4.179 1.00 0.87 C ATOM 1397 CG ASN A 90 3.920 15.526 -3.933 1.00 1.10 C ATOM 1398 OD1 ASN A 90 3.334 16.228 -4.734 1.00 1.65 O ATOM 1399 ND2 ASN A 90 4.422 16.053 -2.850 1.00 1.74 N ATOM 0 H ASN A 90 4.131 11.392 -2.598 1.00 0.57 H new ATOM 0 HA ASN A 90 3.432 13.585 -2.137 1.00 0.68 H new ATOM 0 HB2 ASN A 90 5.123 13.737 -4.100 1.00 0.87 H new ATOM 0 HB3 ASN A 90 3.751 13.775 -5.190 1.00 0.87 H new ATOM 0 HD21 ASN A 90 4.323 17.053 -2.676 1.00 1.74 H new ATOM 0 HD22 ASN A 90 4.914 15.465 -2.177 1.00 1.74 H new ATOM 1406 N GLY A 91 0.955 12.434 -3.245 1.00 0.65 N ATOM 1407 CA GLY A 91 -0.510 12.573 -3.478 1.00 0.75 C ATOM 1408 C GLY A 91 -0.757 13.071 -4.903 1.00 0.79 C ATOM 1409 O GLY A 91 -1.719 13.762 -5.171 1.00 1.19 O ATOM 0 H GLY A 91 1.262 11.505 -2.956 1.00 0.65 H new ATOM 0 HA2 GLY A 91 -1.005 11.614 -3.326 1.00 0.75 H new ATOM 0 HA3 GLY A 91 -0.938 13.271 -2.759 1.00 0.75 H new ATOM 1413 N ASP A 92 0.105 12.726 -5.820 1.00 0.90 N ATOM 1414 CA ASP A 92 -0.081 13.181 -7.228 1.00 1.27 C ATOM 1415 C ASP A 92 -1.366 12.585 -7.813 1.00 1.14 C ATOM 1416 O ASP A 92 -1.949 13.130 -8.728 1.00 1.70 O ATOM 1417 CB ASP A 92 1.145 12.658 -7.978 1.00 1.93 C ATOM 1418 CG ASP A 92 0.871 11.238 -8.475 1.00 2.15 C ATOM 1419 OD1 ASP A 92 -0.260 10.968 -8.845 1.00 2.68 O ATOM 1420 OD2 ASP A 92 1.797 10.443 -8.476 1.00 2.41 O ATOM 0 H ASP A 92 0.930 12.149 -5.656 1.00 0.90 H new ATOM 0 HA ASP A 92 -0.173 14.265 -7.303 1.00 1.27 H new ATOM 0 HB2 ASP A 92 1.376 13.311 -8.820 1.00 1.93 H new ATOM 0 HB3 ASP A 92 2.016 12.664 -7.322 1.00 1.93 H new ATOM 1425 N THR A 93 -1.803 11.467 -7.289 1.00 0.96 N ATOM 1426 CA THR A 93 -3.052 10.813 -7.799 1.00 1.33 C ATOM 1427 C THR A 93 -3.082 10.803 -9.333 1.00 1.26 C ATOM 1428 O THR A 93 -2.063 10.926 -9.984 1.00 1.90 O ATOM 1429 CB THR A 93 -4.205 11.649 -7.238 1.00 1.74 C ATOM 1430 OG1 THR A 93 -4.166 12.953 -7.800 1.00 2.10 O ATOM 1431 CG2 THR A 93 -4.076 11.742 -5.717 1.00 1.92 C ATOM 0 H THR A 93 -1.345 10.974 -6.523 1.00 0.96 H new ATOM 0 HA THR A 93 -3.116 9.771 -7.486 1.00 1.33 H new ATOM 0 HB THR A 93 -5.153 11.175 -7.493 1.00 1.74 H new ATOM 0 HG1 THR A 93 -3.521 12.972 -8.538 1.00 2.10 H new ATOM 0 HG21 THR A 93 -4.897 12.337 -5.318 1.00 1.92 H new ATOM 0 HG22 THR A 93 -4.111 10.741 -5.287 1.00 1.92 H new ATOM 0 HG23 THR A 93 -3.128 12.214 -5.460 1.00 1.92 H new ATOM 1439 N ALA A 94 -4.243 10.650 -9.914 1.00 1.18 N ATOM 1440 CA ALA A 94 -4.335 10.624 -11.403 1.00 1.18 C ATOM 1441 C ALA A 94 -3.415 9.538 -11.957 1.00 1.14 C ATOM 1442 O ALA A 94 -2.229 9.737 -12.126 1.00 1.48 O ATOM 1443 CB ALA A 94 -3.876 12.004 -11.866 1.00 1.24 C ATOM 0 H ALA A 94 -5.130 10.542 -9.422 1.00 1.18 H new ATOM 0 HA ALA A 94 -5.344 10.404 -11.750 1.00 1.18 H new ATOM 0 HB1 ALA A 94 -3.918 12.055 -12.954 1.00 1.24 H new ATOM 0 HB2 ALA A 94 -4.529 12.766 -11.441 1.00 1.24 H new ATOM 0 HB3 ALA A 94 -2.852 12.177 -11.534 1.00 1.24 H new ATOM 1449 N SER A 95 -3.958 8.388 -12.235 1.00 1.20 N ATOM 1450 CA SER A 95 -3.121 7.276 -12.770 1.00 1.22 C ATOM 1451 C SER A 95 -1.931 7.022 -11.838 1.00 0.98 C ATOM 1452 O SER A 95 -0.823 7.427 -12.129 1.00 0.98 O ATOM 1453 CB SER A 95 -2.639 7.760 -14.139 1.00 1.48 C ATOM 1454 OG SER A 95 -3.496 7.249 -15.149 1.00 2.01 O ATOM 0 H SER A 95 -4.947 8.168 -12.115 1.00 1.20 H new ATOM 0 HA SER A 95 -3.675 6.340 -12.845 1.00 1.22 H new ATOM 0 HB2 SER A 95 -2.632 8.850 -14.170 1.00 1.48 H new ATOM 0 HB3 SER A 95 -1.615 7.429 -14.314 1.00 1.48 H new ATOM 0 HG SER A 95 -3.189 7.560 -16.026 1.00 2.01 H new ATOM 1460 N PRO A 96 -2.197 6.359 -10.737 1.00 0.87 N ATOM 1461 CA PRO A 96 -1.124 6.059 -9.757 1.00 0.72 C ATOM 1462 C PRO A 96 -0.179 4.989 -10.305 1.00 0.65 C ATOM 1463 O PRO A 96 -0.449 4.361 -11.310 1.00 0.79 O ATOM 1464 CB PRO A 96 -1.882 5.540 -8.539 1.00 0.79 C ATOM 1465 CG PRO A 96 -3.171 5.013 -9.083 1.00 0.97 C ATOM 1466 CD PRO A 96 -3.501 5.832 -10.303 1.00 1.02 C ATOM 0 HA PRO A 96 -0.502 6.925 -9.529 1.00 0.72 H new ATOM 0 HB2 PRO A 96 -1.320 4.758 -8.028 1.00 0.79 H new ATOM 0 HB3 PRO A 96 -2.055 6.335 -7.813 1.00 0.79 H new ATOM 0 HG2 PRO A 96 -3.078 3.958 -9.340 1.00 0.97 H new ATOM 0 HG3 PRO A 96 -3.964 5.091 -8.340 1.00 0.97 H new ATOM 0 HD2 PRO A 96 -3.965 5.224 -11.079 1.00 1.02 H new ATOM 0 HD3 PRO A 96 -4.199 6.636 -10.068 1.00 1.02 H new ATOM 1474 N LYS A 97 0.928 4.776 -9.652 1.00 0.55 N ATOM 1475 CA LYS A 97 1.892 3.748 -10.131 1.00 0.57 C ATOM 1476 C LYS A 97 1.488 2.366 -9.613 1.00 0.53 C ATOM 1477 O LYS A 97 1.895 1.947 -8.546 1.00 0.89 O ATOM 1478 CB LYS A 97 3.239 4.170 -9.546 1.00 0.68 C ATOM 1479 CG LYS A 97 3.927 5.141 -10.507 1.00 0.85 C ATOM 1480 CD LYS A 97 4.347 4.392 -11.773 1.00 1.63 C ATOM 1481 CE LYS A 97 3.937 5.200 -13.006 1.00 2.05 C ATOM 1482 NZ LYS A 97 5.187 5.876 -13.454 1.00 2.61 N ATOM 0 H LYS A 97 1.208 5.271 -8.805 1.00 0.55 H new ATOM 0 HA LYS A 97 1.923 3.682 -11.219 1.00 0.57 H new ATOM 0 HB2 LYS A 97 3.094 4.643 -8.575 1.00 0.68 H new ATOM 0 HB3 LYS A 97 3.868 3.295 -9.383 1.00 0.68 H new ATOM 0 HG2 LYS A 97 3.251 5.958 -10.762 1.00 0.85 H new ATOM 0 HG3 LYS A 97 4.799 5.586 -10.029 1.00 0.85 H new ATOM 0 HD2 LYS A 97 5.425 4.232 -11.772 1.00 1.63 H new ATOM 0 HD3 LYS A 97 3.879 3.408 -11.798 1.00 1.63 H new ATOM 0 HE2 LYS A 97 3.536 4.554 -13.787 1.00 2.05 H new ATOM 0 HE3 LYS A 97 3.161 5.926 -12.763 1.00 2.05 H new ATOM 0 HZ1 LYS A 97 4.988 6.451 -14.297 1.00 2.61 H new ATOM 0 HZ2 LYS A 97 5.542 6.489 -12.693 1.00 2.61 H new ATOM 0 HZ3 LYS A 97 5.905 5.160 -13.685 1.00 2.61 H new ATOM 1496 N GLU A 98 0.688 1.653 -10.360 1.00 0.51 N ATOM 1497 CA GLU A 98 0.256 0.299 -9.910 1.00 0.48 C ATOM 1498 C GLU A 98 1.477 -0.553 -9.548 1.00 0.45 C ATOM 1499 O GLU A 98 2.518 -0.457 -10.167 1.00 0.61 O ATOM 1500 CB GLU A 98 -0.481 -0.298 -11.111 1.00 0.61 C ATOM 1501 CG GLU A 98 0.457 -0.340 -12.317 1.00 1.33 C ATOM 1502 CD GLU A 98 -0.235 -1.057 -13.478 1.00 2.10 C ATOM 1503 OE1 GLU A 98 -0.137 -2.272 -13.540 1.00 2.61 O ATOM 1504 OE2 GLU A 98 -0.852 -0.380 -14.283 1.00 2.79 O ATOM 0 H GLU A 98 0.315 1.950 -11.262 1.00 0.51 H new ATOM 0 HA GLU A 98 -0.376 0.339 -9.022 1.00 0.48 H new ATOM 0 HB2 GLU A 98 -0.830 -1.303 -10.874 1.00 0.61 H new ATOM 0 HB3 GLU A 98 -1.363 0.299 -11.343 1.00 0.61 H new ATOM 0 HG2 GLU A 98 0.731 0.673 -12.613 1.00 1.33 H new ATOM 0 HG3 GLU A 98 1.380 -0.857 -12.055 1.00 1.33 H new ATOM 1511 N TYR A 99 1.357 -1.382 -8.546 1.00 0.45 N ATOM 1512 CA TYR A 99 2.514 -2.233 -8.144 1.00 0.46 C ATOM 1513 C TYR A 99 2.643 -3.435 -9.083 1.00 0.53 C ATOM 1514 O TYR A 99 1.823 -4.331 -9.079 1.00 0.67 O ATOM 1515 CB TYR A 99 2.194 -2.695 -6.722 1.00 0.52 C ATOM 1516 CG TYR A 99 3.424 -2.541 -5.857 1.00 0.64 C ATOM 1517 CD1 TYR A 99 4.660 -3.026 -6.306 1.00 1.20 C ATOM 1518 CD2 TYR A 99 3.330 -1.910 -4.612 1.00 1.58 C ATOM 1519 CE1 TYR A 99 5.801 -2.877 -5.507 1.00 1.49 C ATOM 1520 CE2 TYR A 99 4.472 -1.760 -3.815 1.00 2.05 C ATOM 1521 CZ TYR A 99 5.706 -2.243 -4.262 1.00 1.70 C ATOM 1522 OH TYR A 99 6.834 -2.088 -3.481 1.00 2.27 O ATOM 0 H TYR A 99 0.511 -1.507 -7.990 1.00 0.45 H new ATOM 0 HA TYR A 99 3.458 -1.691 -8.193 1.00 0.46 H new ATOM 0 HB2 TYR A 99 1.372 -2.107 -6.313 1.00 0.52 H new ATOM 0 HB3 TYR A 99 1.869 -3.735 -6.730 1.00 0.52 H new ATOM 0 HD1 TYR A 99 4.733 -3.514 -7.267 1.00 1.20 H new ATOM 0 HD2 TYR A 99 2.377 -1.539 -4.265 1.00 1.58 H new ATOM 0 HE1 TYR A 99 6.754 -3.251 -5.851 1.00 1.49 H new ATOM 0 HE2 TYR A 99 4.400 -1.271 -2.855 1.00 2.05 H new ATOM 0 HH TYR A 99 7.619 -2.407 -3.973 1.00 2.27 H new ATOM 1532 N THR A 100 3.673 -3.461 -9.883 1.00 0.60 N ATOM 1533 CA THR A 100 3.864 -4.606 -10.819 1.00 0.72 C ATOM 1534 C THR A 100 4.798 -5.643 -10.190 1.00 0.83 C ATOM 1535 O THR A 100 5.856 -5.936 -10.709 1.00 1.71 O ATOM 1536 CB THR A 100 4.502 -3.993 -12.067 1.00 0.93 C ATOM 1537 OG1 THR A 100 5.741 -3.393 -11.716 1.00 1.36 O ATOM 1538 CG2 THR A 100 3.568 -2.933 -12.652 1.00 1.13 C ATOM 0 H THR A 100 4.392 -2.739 -9.929 1.00 0.60 H new ATOM 0 HA THR A 100 2.929 -5.117 -11.051 1.00 0.72 H new ATOM 0 HB THR A 100 4.672 -4.773 -12.809 1.00 0.93 H new ATOM 0 HG1 THR A 100 6.324 -4.064 -11.304 1.00 1.36 H new ATOM 0 HG21 THR A 100 4.024 -2.497 -13.541 1.00 1.13 H new ATOM 0 HG22 THR A 100 2.617 -3.394 -12.920 1.00 1.13 H new ATOM 0 HG23 THR A 100 3.396 -2.151 -11.912 1.00 1.13 H new ATOM 1546 N ALA A 101 4.417 -6.195 -9.070 1.00 0.83 N ATOM 1547 CA ALA A 101 5.287 -7.206 -8.404 1.00 1.01 C ATOM 1548 C ALA A 101 4.673 -8.604 -8.524 1.00 1.36 C ATOM 1549 O ALA A 101 3.821 -8.848 -9.356 1.00 1.98 O ATOM 1550 CB ALA A 101 5.344 -6.767 -6.942 1.00 0.87 C ATOM 0 H ALA A 101 3.542 -5.990 -8.588 1.00 0.83 H new ATOM 0 HA ALA A 101 6.277 -7.261 -8.856 1.00 1.01 H new ATOM 0 HB1 ALA A 101 5.967 -7.461 -6.378 1.00 0.87 H new ATOM 0 HB2 ALA A 101 5.768 -5.765 -6.879 1.00 0.87 H new ATOM 0 HB3 ALA A 101 4.337 -6.762 -6.524 1.00 0.87 H new ATOM 1556 N GLY A 102 5.101 -9.525 -7.702 1.00 1.17 N ATOM 1557 CA GLY A 102 4.541 -10.905 -7.775 1.00 1.71 C ATOM 1558 C GLY A 102 3.925 -11.283 -6.431 1.00 1.08 C ATOM 1559 O GLY A 102 4.203 -12.328 -5.878 1.00 1.27 O ATOM 0 H GLY A 102 5.812 -9.382 -6.985 1.00 1.17 H new ATOM 0 HA2 GLY A 102 3.787 -10.960 -8.560 1.00 1.71 H new ATOM 0 HA3 GLY A 102 5.327 -11.613 -8.038 1.00 1.71 H new ATOM 1563 N ARG A 103 3.080 -10.438 -5.914 1.00 0.90 N ATOM 1564 CA ARG A 103 2.413 -10.723 -4.605 1.00 1.11 C ATOM 1565 C ARG A 103 3.413 -11.253 -3.568 1.00 0.94 C ATOM 1566 O ARG A 103 3.184 -12.266 -2.939 1.00 1.04 O ATOM 1567 CB ARG A 103 1.360 -11.784 -4.924 1.00 1.71 C ATOM 1568 CG ARG A 103 0.127 -11.112 -5.533 1.00 2.44 C ATOM 1569 CD ARG A 103 -0.527 -12.058 -6.542 1.00 3.16 C ATOM 1570 NE ARG A 103 -1.502 -11.213 -7.286 1.00 3.73 N ATOM 1571 CZ ARG A 103 -2.774 -11.287 -7.007 1.00 4.34 C ATOM 1572 NH1 ARG A 103 -3.170 -11.301 -5.763 1.00 4.84 N ATOM 1573 NH2 ARG A 103 -3.651 -11.347 -7.972 1.00 4.81 N ATOM 0 H ARG A 103 2.817 -9.551 -6.344 1.00 0.90 H new ATOM 0 HA ARG A 103 1.980 -9.822 -4.172 1.00 1.11 H new ATOM 0 HB2 ARG A 103 1.767 -12.519 -5.619 1.00 1.71 H new ATOM 0 HB3 ARG A 103 1.084 -12.322 -4.017 1.00 1.71 H new ATOM 0 HG2 ARG A 103 -0.584 -10.853 -4.748 1.00 2.44 H new ATOM 0 HG3 ARG A 103 0.412 -10.182 -6.024 1.00 2.44 H new ATOM 0 HD2 ARG A 103 0.214 -12.491 -7.214 1.00 3.16 H new ATOM 0 HD3 ARG A 103 -1.026 -12.887 -6.040 1.00 3.16 H new ATOM 0 HE ARG A 103 -1.175 -10.577 -8.013 1.00 3.73 H new ATOM 0 HH11 ARG A 103 -2.485 -11.254 -5.009 1.00 4.84 H new ATOM 0 HH12 ARG A 103 -4.165 -11.359 -5.545 1.00 4.84 H new ATOM 0 HH21 ARG A 103 -3.341 -11.336 -8.944 1.00 4.81 H new ATOM 0 HH22 ARG A 103 -4.646 -11.405 -7.754 1.00 4.81 H new ATOM 1587 N GLU A 104 4.513 -10.576 -3.378 1.00 0.75 N ATOM 1588 CA GLU A 104 5.510 -11.046 -2.372 1.00 0.66 C ATOM 1589 C GLU A 104 6.327 -9.862 -1.842 1.00 0.56 C ATOM 1590 O GLU A 104 6.817 -9.044 -2.594 1.00 0.57 O ATOM 1591 CB GLU A 104 6.404 -12.043 -3.115 1.00 0.79 C ATOM 1592 CG GLU A 104 7.028 -11.370 -4.339 1.00 1.59 C ATOM 1593 CD GLU A 104 7.230 -12.411 -5.443 1.00 1.87 C ATOM 1594 OE1 GLU A 104 6.410 -13.310 -5.540 1.00 2.04 O ATOM 1595 OE2 GLU A 104 8.201 -12.291 -6.172 1.00 2.51 O ATOM 0 H GLU A 104 4.765 -9.721 -3.874 1.00 0.75 H new ATOM 0 HA GLU A 104 5.034 -11.509 -1.508 1.00 0.66 H new ATOM 0 HB2 GLU A 104 7.187 -12.408 -2.451 1.00 0.79 H new ATOM 0 HB3 GLU A 104 5.819 -12.909 -3.424 1.00 0.79 H new ATOM 0 HG2 GLU A 104 6.383 -10.567 -4.695 1.00 1.59 H new ATOM 0 HG3 GLU A 104 7.983 -10.917 -4.072 1.00 1.59 H new ATOM 1602 N ALA A 105 6.463 -9.762 -0.546 1.00 0.50 N ATOM 1603 CA ALA A 105 7.233 -8.628 0.052 1.00 0.44 C ATOM 1604 C ALA A 105 8.572 -8.420 -0.667 1.00 0.45 C ATOM 1605 O ALA A 105 9.100 -7.326 -0.703 1.00 0.47 O ATOM 1606 CB ALA A 105 7.472 -9.041 1.504 1.00 0.47 C ATOM 0 H ALA A 105 6.072 -10.420 0.129 1.00 0.50 H new ATOM 0 HA ALA A 105 6.691 -7.686 -0.034 1.00 0.44 H new ATOM 0 HB1 ALA A 105 8.034 -8.260 2.017 1.00 0.47 H new ATOM 0 HB2 ALA A 105 6.514 -9.186 2.003 1.00 0.47 H new ATOM 0 HB3 ALA A 105 8.039 -9.972 1.529 1.00 0.47 H new ATOM 1612 N ASP A 106 9.133 -9.456 -1.225 1.00 0.51 N ATOM 1613 CA ASP A 106 10.444 -9.301 -1.921 1.00 0.56 C ATOM 1614 C ASP A 106 10.292 -8.455 -3.184 1.00 0.54 C ATOM 1615 O ASP A 106 11.181 -7.713 -3.554 1.00 0.64 O ATOM 1616 CB ASP A 106 10.879 -10.723 -2.274 1.00 0.67 C ATOM 1617 CG ASP A 106 12.392 -10.854 -2.095 1.00 1.18 C ATOM 1618 OD1 ASP A 106 13.089 -9.897 -2.389 1.00 2.02 O ATOM 1619 OD2 ASP A 106 12.829 -11.910 -1.666 1.00 1.82 O ATOM 0 H ASP A 106 8.744 -10.399 -1.230 1.00 0.51 H new ATOM 0 HA ASP A 106 11.178 -8.793 -1.295 1.00 0.56 H new ATOM 0 HB2 ASP A 106 10.363 -11.441 -1.636 1.00 0.67 H new ATOM 0 HB3 ASP A 106 10.603 -10.954 -3.303 1.00 0.67 H new ATOM 1624 N ASP A 107 9.177 -8.549 -3.847 1.00 0.50 N ATOM 1625 CA ASP A 107 8.982 -7.737 -5.080 1.00 0.52 C ATOM 1626 C ASP A 107 8.681 -6.294 -4.692 1.00 0.51 C ATOM 1627 O ASP A 107 9.092 -5.359 -5.350 1.00 0.63 O ATOM 1628 CB ASP A 107 7.782 -8.363 -5.787 1.00 0.55 C ATOM 1629 CG ASP A 107 6.851 -8.991 -4.749 1.00 0.76 C ATOM 1630 OD1 ASP A 107 7.356 -9.565 -3.798 1.00 1.41 O ATOM 1631 OD2 ASP A 107 5.647 -8.890 -4.923 1.00 1.39 O ATOM 0 H ASP A 107 8.394 -9.150 -3.591 1.00 0.50 H new ATOM 0 HA ASP A 107 9.864 -7.728 -5.721 1.00 0.52 H new ATOM 0 HB2 ASP A 107 7.247 -7.605 -6.360 1.00 0.55 H new ATOM 0 HB3 ASP A 107 8.118 -9.120 -6.496 1.00 0.55 H new ATOM 1636 N ILE A 108 7.969 -6.111 -3.618 1.00 0.46 N ATOM 1637 CA ILE A 108 7.638 -4.733 -3.167 1.00 0.52 C ATOM 1638 C ILE A 108 8.913 -4.014 -2.721 1.00 0.50 C ATOM 1639 O ILE A 108 9.091 -2.838 -2.971 1.00 0.52 O ATOM 1640 CB ILE A 108 6.674 -4.926 -1.993 1.00 0.60 C ATOM 1641 CG1 ILE A 108 5.365 -5.524 -2.524 1.00 0.73 C ATOM 1642 CG2 ILE A 108 6.388 -3.577 -1.316 1.00 0.67 C ATOM 1643 CD1 ILE A 108 4.342 -5.627 -1.391 1.00 0.68 C ATOM 0 H ILE A 108 7.601 -6.859 -3.031 1.00 0.46 H new ATOM 0 HA ILE A 108 7.193 -4.125 -3.955 1.00 0.52 H new ATOM 0 HB ILE A 108 7.121 -5.597 -1.259 1.00 0.60 H new ATOM 0 HG12 ILE A 108 4.970 -4.901 -3.327 1.00 0.73 H new ATOM 0 HG13 ILE A 108 5.551 -6.511 -2.948 1.00 0.73 H new ATOM 0 HG21 ILE A 108 5.701 -3.726 -0.483 1.00 0.67 H new ATOM 0 HG22 ILE A 108 7.320 -3.151 -0.946 1.00 0.67 H new ATOM 0 HG23 ILE A 108 5.939 -2.895 -2.038 1.00 0.67 H new ATOM 0 HD11 ILE A 108 3.415 -6.052 -1.775 1.00 0.68 H new ATOM 0 HD12 ILE A 108 4.736 -6.268 -0.602 1.00 0.68 H new ATOM 0 HD13 ILE A 108 4.145 -4.634 -0.987 1.00 0.68 H new ATOM 1655 N VAL A 109 9.806 -4.708 -2.068 1.00 0.51 N ATOM 1656 CA VAL A 109 11.063 -4.048 -1.620 1.00 0.56 C ATOM 1657 C VAL A 109 11.921 -3.689 -2.834 1.00 0.51 C ATOM 1658 O VAL A 109 12.581 -2.669 -2.860 1.00 0.55 O ATOM 1659 CB VAL A 109 11.772 -5.084 -0.745 1.00 0.67 C ATOM 1660 CG1 VAL A 109 13.140 -4.543 -0.325 1.00 0.81 C ATOM 1661 CG2 VAL A 109 10.929 -5.360 0.502 1.00 0.86 C ATOM 0 H VAL A 109 9.720 -5.695 -1.828 1.00 0.51 H new ATOM 0 HA VAL A 109 10.875 -3.123 -1.074 1.00 0.56 H new ATOM 0 HB VAL A 109 11.902 -6.008 -1.308 1.00 0.67 H new ATOM 0 HG11 VAL A 109 13.647 -5.280 0.298 1.00 0.81 H new ATOM 0 HG12 VAL A 109 13.741 -4.344 -1.213 1.00 0.81 H new ATOM 0 HG13 VAL A 109 13.009 -3.619 0.239 1.00 0.81 H new ATOM 0 HG21 VAL A 109 11.433 -6.098 1.126 1.00 0.86 H new ATOM 0 HG22 VAL A 109 10.799 -4.436 1.065 1.00 0.86 H new ATOM 0 HG23 VAL A 109 9.953 -5.743 0.204 1.00 0.86 H new ATOM 1671 N ASN A 110 11.913 -4.516 -3.842 1.00 0.50 N ATOM 1672 CA ASN A 110 12.726 -4.217 -5.054 1.00 0.52 C ATOM 1673 C ASN A 110 12.133 -3.024 -5.803 1.00 0.50 C ATOM 1674 O ASN A 110 12.846 -2.181 -6.307 1.00 0.59 O ATOM 1675 CB ASN A 110 12.651 -5.483 -5.908 1.00 0.59 C ATOM 1676 CG ASN A 110 13.752 -6.453 -5.477 1.00 0.98 C ATOM 1677 OD1 ASN A 110 14.819 -6.476 -6.056 1.00 1.65 O ATOM 1678 ND2 ASN A 110 13.537 -7.262 -4.475 1.00 1.29 N ATOM 0 H ASN A 110 11.380 -5.385 -3.879 1.00 0.50 H new ATOM 0 HA ASN A 110 13.756 -3.957 -4.808 1.00 0.52 H new ATOM 0 HB2 ASN A 110 11.674 -5.952 -5.797 1.00 0.59 H new ATOM 0 HB3 ASN A 110 12.765 -5.231 -6.962 1.00 0.59 H new ATOM 0 HD21 ASN A 110 14.265 -7.912 -4.179 1.00 1.29 H new ATOM 0 HD22 ASN A 110 12.641 -7.244 -3.988 1.00 1.29 H new ATOM 1685 N TRP A 111 10.836 -2.944 -5.876 1.00 0.46 N ATOM 1686 CA TRP A 111 10.202 -1.799 -6.588 1.00 0.51 C ATOM 1687 C TRP A 111 10.311 -0.525 -5.744 1.00 0.55 C ATOM 1688 O TRP A 111 10.163 0.574 -6.242 1.00 0.66 O ATOM 1689 CB TRP A 111 8.739 -2.205 -6.759 1.00 0.55 C ATOM 1690 CG TRP A 111 8.149 -1.481 -7.927 1.00 0.58 C ATOM 1691 CD1 TRP A 111 7.997 -1.999 -9.168 1.00 0.73 C ATOM 1692 CD2 TRP A 111 7.629 -0.121 -7.985 1.00 0.69 C ATOM 1693 NE1 TRP A 111 7.418 -1.044 -9.983 1.00 0.84 N ATOM 1694 CE2 TRP A 111 7.172 0.131 -9.299 1.00 0.83 C ATOM 1695 CE3 TRP A 111 7.511 0.907 -7.032 1.00 0.84 C ATOM 1696 CZ2 TRP A 111 6.617 1.361 -9.657 1.00 1.03 C ATOM 1697 CZ3 TRP A 111 6.954 2.146 -7.389 1.00 1.07 C ATOM 1698 CH2 TRP A 111 6.506 2.372 -8.699 1.00 1.14 C ATOM 0 H TRP A 111 10.187 -3.620 -5.474 1.00 0.46 H new ATOM 0 HA TRP A 111 10.682 -1.588 -7.543 1.00 0.51 H new ATOM 0 HB2 TRP A 111 8.666 -3.282 -6.911 1.00 0.55 H new ATOM 0 HB3 TRP A 111 8.179 -1.972 -5.854 1.00 0.55 H new ATOM 0 HD1 TRP A 111 8.281 -2.996 -9.472 1.00 0.73 H new ATOM 0 HE1 TRP A 111 7.199 -1.189 -10.969 1.00 0.84 H new ATOM 0 HE3 TRP A 111 7.851 0.743 -6.020 1.00 0.84 H new ATOM 0 HZ2 TRP A 111 6.276 1.530 -10.668 1.00 1.03 H new ATOM 0 HZ3 TRP A 111 6.870 2.930 -6.650 1.00 1.07 H new ATOM 0 HH2 TRP A 111 6.076 3.326 -8.967 1.00 1.14 H new ATOM 1709 N LEU A 112 10.561 -0.661 -4.468 1.00 0.55 N ATOM 1710 CA LEU A 112 10.670 0.547 -3.601 1.00 0.65 C ATOM 1711 C LEU A 112 12.139 0.907 -3.351 1.00 0.65 C ATOM 1712 O LEU A 112 12.492 2.065 -3.257 1.00 0.75 O ATOM 1713 CB LEU A 112 9.982 0.160 -2.291 1.00 0.74 C ATOM 1714 CG LEU A 112 9.085 1.311 -1.828 1.00 0.86 C ATOM 1715 CD1 LEU A 112 7.924 1.477 -2.809 1.00 1.49 C ATOM 1716 CD2 LEU A 112 8.535 1.003 -0.433 1.00 1.10 C ATOM 0 H LEU A 112 10.694 -1.553 -3.991 1.00 0.55 H new ATOM 0 HA LEU A 112 10.211 1.421 -4.063 1.00 0.65 H new ATOM 0 HB2 LEU A 112 9.389 -0.744 -2.432 1.00 0.74 H new ATOM 0 HB3 LEU A 112 10.728 -0.064 -1.528 1.00 0.74 H new ATOM 0 HG LEU A 112 9.666 2.232 -1.792 1.00 0.86 H new ATOM 0 HD11 LEU A 112 7.284 2.296 -2.481 1.00 1.49 H new ATOM 0 HD12 LEU A 112 8.315 1.698 -3.802 1.00 1.49 H new ATOM 0 HD13 LEU A 112 7.343 0.555 -2.845 1.00 1.49 H new ATOM 0 HD21 LEU A 112 7.897 1.823 -0.104 1.00 1.10 H new ATOM 0 HD22 LEU A 112 7.954 0.082 -0.466 1.00 1.10 H new ATOM 0 HD23 LEU A 112 9.363 0.885 0.266 1.00 1.10 H new ATOM 1728 N LYS A 113 13.001 -0.069 -3.232 1.00 0.62 N ATOM 1729 CA LYS A 113 14.437 0.245 -2.979 1.00 0.70 C ATOM 1730 C LYS A 113 15.095 0.817 -4.242 1.00 0.75 C ATOM 1731 O LYS A 113 15.945 1.681 -4.172 1.00 1.01 O ATOM 1732 CB LYS A 113 15.079 -1.091 -2.575 1.00 0.79 C ATOM 1733 CG LYS A 113 15.171 -2.027 -3.786 1.00 1.42 C ATOM 1734 CD LYS A 113 15.676 -3.400 -3.334 1.00 1.84 C ATOM 1735 CE LYS A 113 17.143 -3.295 -2.911 1.00 2.39 C ATOM 1736 NZ LYS A 113 17.911 -3.275 -4.187 1.00 2.86 N ATOM 0 H LYS A 113 12.775 -1.061 -3.298 1.00 0.62 H new ATOM 0 HA LYS A 113 14.561 0.999 -2.202 1.00 0.70 H new ATOM 0 HB2 LYS A 113 16.074 -0.915 -2.167 1.00 0.79 H new ATOM 0 HB3 LYS A 113 14.490 -1.561 -1.788 1.00 0.79 H new ATOM 0 HG2 LYS A 113 14.194 -2.125 -4.258 1.00 1.42 H new ATOM 0 HG3 LYS A 113 15.845 -1.608 -4.533 1.00 1.42 H new ATOM 0 HD2 LYS A 113 15.073 -3.765 -2.503 1.00 1.84 H new ATOM 0 HD3 LYS A 113 15.572 -4.122 -4.144 1.00 1.84 H new ATOM 0 HE2 LYS A 113 17.322 -2.391 -2.328 1.00 2.39 H new ATOM 0 HE3 LYS A 113 17.435 -4.140 -2.287 1.00 2.39 H new ATOM 0 HZ1 LYS A 113 18.656 -4.000 -4.155 1.00 2.86 H new ATOM 0 HZ2 LYS A 113 17.269 -3.472 -4.981 1.00 2.86 H new ATOM 0 HZ3 LYS A 113 18.345 -2.339 -4.316 1.00 2.86 H new ATOM 1750 N LYS A 114 14.714 0.339 -5.395 1.00 0.71 N ATOM 1751 CA LYS A 114 15.326 0.860 -6.651 1.00 0.89 C ATOM 1752 C LYS A 114 15.039 2.356 -6.809 1.00 1.07 C ATOM 1753 O LYS A 114 15.679 3.041 -7.582 1.00 1.31 O ATOM 1754 CB LYS A 114 14.663 0.068 -7.778 1.00 0.92 C ATOM 1755 CG LYS A 114 15.734 -0.657 -8.596 1.00 1.45 C ATOM 1756 CD LYS A 114 15.315 -2.112 -8.813 1.00 1.77 C ATOM 1757 CE LYS A 114 16.558 -2.971 -9.052 1.00 2.49 C ATOM 1758 NZ LYS A 114 16.805 -2.890 -10.518 1.00 3.00 N ATOM 0 H LYS A 114 14.009 -0.387 -5.522 1.00 0.71 H new ATOM 0 HA LYS A 114 16.410 0.745 -6.653 1.00 0.89 H new ATOM 0 HB2 LYS A 114 13.958 -0.653 -7.364 1.00 0.92 H new ATOM 0 HB3 LYS A 114 14.093 0.739 -8.420 1.00 0.92 H new ATOM 0 HG2 LYS A 114 15.871 -0.160 -9.556 1.00 1.45 H new ATOM 0 HG3 LYS A 114 16.692 -0.617 -8.077 1.00 1.45 H new ATOM 0 HD2 LYS A 114 14.769 -2.478 -7.943 1.00 1.77 H new ATOM 0 HD3 LYS A 114 14.641 -2.184 -9.666 1.00 1.77 H new ATOM 0 HE2 LYS A 114 17.411 -2.597 -8.487 1.00 2.49 H new ATOM 0 HE3 LYS A 114 16.393 -4.001 -8.736 1.00 2.49 H new ATOM 0 HZ1 LYS A 114 17.644 -3.455 -10.760 1.00 3.00 H new ATOM 0 HZ2 LYS A 114 15.979 -3.259 -11.030 1.00 3.00 H new ATOM 0 HZ3 LYS A 114 16.965 -1.899 -10.789 1.00 3.00 H new ATOM 1772 N ARG A 115 14.079 2.870 -6.087 1.00 1.09 N ATOM 1773 CA ARG A 115 13.757 4.321 -6.207 1.00 1.40 C ATOM 1774 C ARG A 115 14.306 5.098 -5.005 1.00 1.25 C ATOM 1775 O ARG A 115 14.442 6.304 -5.046 1.00 1.55 O ATOM 1776 CB ARG A 115 12.230 4.384 -6.233 1.00 1.86 C ATOM 1777 CG ARG A 115 11.781 5.786 -6.650 1.00 2.43 C ATOM 1778 CD ARG A 115 10.322 5.742 -7.106 1.00 2.92 C ATOM 1779 NE ARG A 115 10.370 5.980 -8.575 1.00 3.45 N ATOM 1780 CZ ARG A 115 10.743 5.023 -9.379 1.00 3.99 C ATOM 1781 NH1 ARG A 115 10.212 3.835 -9.273 1.00 4.34 N ATOM 1782 NH2 ARG A 115 11.649 5.253 -10.289 1.00 4.52 N ATOM 0 H ARG A 115 13.506 2.350 -5.422 1.00 1.09 H new ATOM 0 HA ARG A 115 14.203 4.767 -7.096 1.00 1.40 H new ATOM 0 HB2 ARG A 115 11.837 3.643 -6.930 1.00 1.86 H new ATOM 0 HB3 ARG A 115 11.829 4.140 -5.249 1.00 1.86 H new ATOM 0 HG2 ARG A 115 11.891 6.478 -5.815 1.00 2.43 H new ATOM 0 HG3 ARG A 115 12.414 6.157 -7.456 1.00 2.43 H new ATOM 0 HD2 ARG A 115 9.866 4.779 -6.877 1.00 2.92 H new ATOM 0 HD3 ARG A 115 9.728 6.504 -6.602 1.00 2.92 H new ATOM 0 HE ARG A 115 10.111 6.891 -8.953 1.00 3.45 H new ATOM 0 HH11 ARG A 115 9.505 3.654 -8.561 1.00 4.34 H new ATOM 0 HH12 ARG A 115 10.505 3.088 -9.902 1.00 4.34 H new ATOM 0 HH21 ARG A 115 12.065 6.181 -10.371 1.00 4.52 H new ATOM 0 HH22 ARG A 115 11.941 4.505 -10.918 1.00 4.52 H new ATOM 1796 N THR A 116 14.618 4.419 -3.933 1.00 1.09 N ATOM 1797 CA THR A 116 15.153 5.129 -2.735 1.00 1.33 C ATOM 1798 C THR A 116 16.287 4.319 -2.098 1.00 1.97 C ATOM 1799 O THR A 116 16.509 4.376 -0.905 1.00 2.63 O ATOM 1800 CB THR A 116 13.967 5.234 -1.776 1.00 1.60 C ATOM 1801 OG1 THR A 116 13.483 3.931 -1.481 1.00 2.17 O ATOM 1802 CG2 THR A 116 12.854 6.059 -2.424 1.00 1.81 C ATOM 0 H THR A 116 14.526 3.408 -3.835 1.00 1.09 H new ATOM 0 HA THR A 116 15.565 6.107 -2.986 1.00 1.33 H new ATOM 0 HB THR A 116 14.287 5.721 -0.855 1.00 1.60 H new ATOM 0 HG1 THR A 116 13.063 3.549 -2.280 1.00 2.17 H new ATOM 0 HG21 THR A 116 12.010 6.133 -1.739 1.00 1.81 H new ATOM 0 HG22 THR A 116 13.226 7.058 -2.650 1.00 1.81 H new ATOM 0 HG23 THR A 116 12.532 5.575 -3.346 1.00 1.81 H new ATOM 1810 N GLY A 117 17.005 3.565 -2.885 1.00 2.26 N ATOM 1811 CA GLY A 117 18.121 2.753 -2.324 1.00 3.23 C ATOM 1812 C GLY A 117 19.383 3.618 -2.224 1.00 3.72 C ATOM 1813 O GLY A 117 19.338 4.803 -2.486 1.00 3.64 O ATOM 0 H GLY A 117 16.867 3.476 -3.892 1.00 2.26 H new ATOM 0 HA2 GLY A 117 17.849 2.373 -1.339 1.00 3.23 H new ATOM 0 HA3 GLY A 117 18.310 1.887 -2.959 1.00 3.23 H new ATOM 1817 N PRO A 118 20.475 2.997 -1.846 1.00 4.60 N ATOM 1818 CA PRO A 118 21.756 3.734 -1.715 1.00 5.37 C ATOM 1819 C PRO A 118 22.320 4.075 -3.095 1.00 5.55 C ATOM 1820 O PRO A 118 22.914 5.115 -3.297 1.00 5.89 O ATOM 1821 CB PRO A 118 22.666 2.751 -0.983 1.00 6.27 C ATOM 1822 CG PRO A 118 22.104 1.399 -1.295 1.00 6.17 C ATOM 1823 CD PRO A 118 20.623 1.573 -1.509 1.00 5.22 C ATOM 0 HA PRO A 118 21.651 4.682 -1.187 1.00 5.37 H new ATOM 0 HB2 PRO A 118 23.697 2.838 -1.324 1.00 6.27 H new ATOM 0 HB3 PRO A 118 22.669 2.940 0.091 1.00 6.27 H new ATOM 0 HG2 PRO A 118 22.575 0.982 -2.185 1.00 6.17 H new ATOM 0 HG3 PRO A 118 22.296 0.704 -0.477 1.00 6.17 H new ATOM 0 HD2 PRO A 118 20.258 0.933 -2.312 1.00 5.22 H new ATOM 0 HD3 PRO A 118 20.058 1.314 -0.614 1.00 5.22 H new ATOM 1831 N ALA A 119 22.136 3.205 -4.047 1.00 5.74 N ATOM 1832 CA ALA A 119 22.661 3.474 -5.417 1.00 6.37 C ATOM 1833 C ALA A 119 22.166 2.405 -6.395 1.00 7.12 C ATOM 1834 O ALA A 119 21.540 1.437 -6.008 1.00 7.52 O ATOM 1835 CB ALA A 119 24.182 3.412 -5.278 1.00 6.62 C ATOM 0 H ALA A 119 21.645 2.318 -3.937 1.00 5.74 H new ATOM 0 HA ALA A 119 22.326 4.436 -5.805 1.00 6.37 H new ATOM 0 HB1 ALA A 119 24.644 3.600 -6.247 1.00 6.62 H new ATOM 0 HB2 ALA A 119 24.513 4.167 -4.565 1.00 6.62 H new ATOM 0 HB3 ALA A 119 24.475 2.424 -4.922 1.00 6.62 H new ATOM 1841 N ALA A 120 22.442 2.572 -7.659 1.00 7.64 N ATOM 1842 CA ALA A 120 21.988 1.565 -8.661 1.00 8.64 C ATOM 1843 C ALA A 120 22.817 1.686 -9.942 1.00 9.09 C ATOM 1844 O ALA A 120 22.602 2.638 -10.676 1.00 9.37 O ATOM 1845 CB ALA A 120 20.524 1.909 -8.934 1.00 9.17 C ATOM 1846 OXT ALA A 120 23.652 0.826 -10.169 1.00 9.38 O ATOM 0 H ALA A 120 22.962 3.362 -8.042 1.00 7.64 H new ATOM 0 HA ALA A 120 22.105 0.542 -8.302 1.00 8.64 H new ATOM 0 HB1 ALA A 120 20.116 1.210 -9.665 1.00 9.17 H new ATOM 0 HB2 ALA A 120 19.955 1.838 -8.007 1.00 9.17 H new ATOM 0 HB3 ALA A 120 20.456 2.924 -9.325 1.00 9.17 H new TER 1852 ALA A 120