USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 580 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: A2103 LYS NZ :NH3+ -166:sc= 1.34 (180deg=1.19) USER MOD Set 1.2: A2128 THR OG1 : rot -166:sc= 0.169 USER MOD Set 2.1: A2093 THR OG1 : rot -81:sc= 0.489 USER MOD Set 2.2: A2095 THR OG1 : rot 180:sc= 0.445 USER MOD Set 3.1: A2081 GLN : amide:sc= -8.37! C(o=-8.4!,f=-11!) USER MOD Set 3.2: A2084 TYR OH : rot 30:sc= 0 USER MOD Set 4.1: A2077 THR OG1 : rot 180:sc= 0.211 USER MOD Set 4.2: A2083 THR OG1 : rot -93:sc= 0.716 USER MOD Single : A2053 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A2064 THR OG1 : rot -59:sc= 1.09 USER MOD Single : A2068 THR OG1 : rot -137:sc= 0.00756 USER MOD Single : A2073 SER OG : rot 180:sc= -0.987 USER MOD Single : A2074 LYS NZ :NH3+ 170:sc=-0.00653 (180deg=-0.1) USER MOD Single : A2076 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2085 THR OG1 : rot 180:sc= -0.408 USER MOD Single : A2091 THR OG1 : rot 180:sc= 0 USER MOD Single : A2098 LYS NZ :NH3+ -166:sc= -0.0325 (180deg=-0.257) USER MOD Single : A2099 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2108 THR OG1 : rot 180:sc= -0.94 USER MOD Single : A2110 LYS NZ :NH3+ -149:sc= 1.24 (180deg=1.16) USER MOD Single : A2114 LYS NZ :NH3+ -175:sc= 0.847 (180deg=0.819) USER MOD Single : A2115 ASN : amide:sc= -0.596! X(o=-0.6!,f=-0.46) USER MOD Single : A2117 THR OG1 : rot 180:sc= 0 USER MOD Single : A2120 THR OG1 : rot 180:sc= 0 USER MOD Single : A2122 THR OG1 : rot 44:sc= 0.485 USER MOD Single : A2123 TYR OH : rot 83:sc= -0.088 USER MOD Single : A2124 SER OG : rot 180:sc= 0 USER MOD Single : A2129 LYS NZ :NH3+ -122:sc= 0.851 (180deg=-0.235) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A2053 1.529 8.348 2.777 1.00 4.90 N ATOM 2 CA GLN A2053 1.532 6.871 2.642 1.00 4.58 C ATOM 3 C GLN A2053 0.887 6.433 1.329 1.00 3.90 C ATOM 4 O GLN A2053 0.987 5.271 0.940 1.00 4.20 O ATOM 5 CB GLN A2053 0.796 6.223 3.822 1.00 5.04 C ATOM 6 CG GLN A2053 -0.666 6.633 3.936 1.00 5.47 C ATOM 7 CD GLN A2053 -1.351 6.043 5.154 1.00 6.21 C ATOM 8 OE1 GLN A2053 -1.935 4.961 5.093 1.00 6.51 O ATOM 9 NE2 GLN A2053 -1.286 6.751 6.269 1.00 6.85 N ATOM 0 HA GLN A2053 2.571 6.542 2.642 1.00 4.58 H new ATOM 0 HB2 GLN A2053 0.853 5.139 3.722 1.00 5.04 H new ATOM 0 HB3 GLN A2053 1.310 6.485 4.747 1.00 5.04 H new ATOM 0 HG2 GLN A2053 -0.731 7.720 3.980 1.00 5.47 H new ATOM 0 HG3 GLN A2053 -1.198 6.318 3.038 1.00 5.47 H new ATOM 0 HE21 GLN A2053 -0.792 7.643 6.278 1.00 6.85 H new ATOM 0 HE22 GLN A2053 -1.730 6.405 7.120 1.00 6.85 H new ATOM 18 N GLY A2054 0.238 7.369 0.642 1.00 3.41 N ATOM 19 CA GLY A2054 -0.471 7.036 -0.577 1.00 3.09 C ATOM 20 C GLY A2054 -1.873 6.538 -0.297 1.00 2.21 C ATOM 21 O GLY A2054 -2.432 5.773 -1.080 1.00 2.29 O ATOM 0 H GLY A2054 0.192 8.352 0.910 1.00 3.41 H new ATOM 0 HA2 GLY A2054 -0.520 7.915 -1.220 1.00 3.09 H new ATOM 0 HA3 GLY A2054 0.083 6.272 -1.122 1.00 3.09 H new ATOM 25 N GLY A2055 -2.447 6.982 0.817 1.00 1.77 N ATOM 26 CA GLY A2055 -3.754 6.516 1.208 1.00 1.45 C ATOM 27 C GLY A2055 -4.795 7.609 1.145 1.00 1.28 C ATOM 28 O GLY A2055 -4.786 8.436 0.230 1.00 1.66 O ATOM 0 H GLY A2055 -2.025 7.658 1.454 1.00 1.77 H new ATOM 0 HA2 GLY A2055 -4.054 5.694 0.558 1.00 1.45 H new ATOM 0 HA3 GLY A2055 -3.708 6.120 2.222 1.00 1.45 H new ATOM 32 N ASP A2056 -5.666 7.635 2.137 1.00 1.08 N ATOM 33 CA ASP A2056 -6.818 8.523 2.124 1.00 1.00 C ATOM 34 C ASP A2056 -7.226 8.958 3.528 1.00 1.03 C ATOM 35 O ASP A2056 -8.039 8.312 4.182 1.00 1.04 O ATOM 36 CB ASP A2056 -7.990 7.796 1.470 1.00 1.12 C ATOM 37 CG ASP A2056 -8.079 6.338 1.914 1.00 1.80 C ATOM 38 OD1 ASP A2056 -7.336 5.498 1.360 1.00 2.41 O ATOM 39 OD2 ASP A2056 -8.866 6.023 2.833 1.00 2.42 O ATOM 0 H ASP A2056 -5.598 7.048 2.968 1.00 1.08 H new ATOM 0 HA ASP A2056 -6.546 9.418 1.565 1.00 1.00 H new ATOM 0 HB2 ASP A2056 -8.919 8.308 1.720 1.00 1.12 H new ATOM 0 HB3 ASP A2056 -7.884 7.839 0.386 1.00 1.12 H new ATOM 44 N PRO A2057 -6.734 10.109 3.981 1.00 1.20 N ATOM 45 CA PRO A2057 -7.125 10.661 5.277 1.00 1.36 C ATOM 46 C PRO A2057 -8.551 11.192 5.249 1.00 1.24 C ATOM 47 O PRO A2057 -9.344 10.957 6.161 1.00 1.34 O ATOM 48 CB PRO A2057 -6.140 11.812 5.488 1.00 1.72 C ATOM 49 CG PRO A2057 -5.666 12.185 4.122 1.00 1.71 C ATOM 50 CD PRO A2057 -5.735 10.938 3.287 1.00 1.41 C ATOM 0 HA PRO A2057 -7.099 9.913 6.069 1.00 1.36 H new ATOM 0 HB2 PRO A2057 -6.622 12.656 5.980 1.00 1.72 H new ATOM 0 HB3 PRO A2057 -5.308 11.506 6.122 1.00 1.72 H new ATOM 0 HG2 PRO A2057 -6.290 12.971 3.697 1.00 1.71 H new ATOM 0 HG3 PRO A2057 -4.647 12.571 4.158 1.00 1.71 H new ATOM 0 HD2 PRO A2057 -6.038 11.158 2.263 1.00 1.41 H new ATOM 0 HD3 PRO A2057 -4.768 10.438 3.233 1.00 1.41 H new ATOM 58 N LEU A2058 -8.850 11.908 4.181 1.00 1.18 N ATOM 59 CA LEU A2058 -10.112 12.570 3.992 1.00 1.17 C ATOM 60 C LEU A2058 -11.210 11.677 3.422 1.00 1.00 C ATOM 61 O LEU A2058 -12.380 12.055 3.447 1.00 1.06 O ATOM 62 CB LEU A2058 -9.899 13.794 3.102 1.00 1.35 C ATOM 63 CG LEU A2058 -8.659 13.795 2.201 1.00 1.71 C ATOM 64 CD1 LEU A2058 -8.615 12.555 1.353 1.00 2.34 C ATOM 65 CD2 LEU A2058 -8.643 15.038 1.327 1.00 2.10 C ATOM 0 H LEU A2058 -8.201 12.044 3.406 1.00 1.18 H new ATOM 0 HA LEU A2058 -10.468 12.863 4.979 1.00 1.17 H new ATOM 0 HB2 LEU A2058 -10.778 13.908 2.468 1.00 1.35 H new ATOM 0 HB3 LEU A2058 -9.852 14.674 3.743 1.00 1.35 H new ATOM 0 HG LEU A2058 -7.773 13.804 2.836 1.00 1.71 H new ATOM 0 HD11 LEU A2058 -7.727 12.577 0.722 1.00 2.34 H new ATOM 0 HD12 LEU A2058 -8.581 11.675 1.996 1.00 2.34 H new ATOM 0 HD13 LEU A2058 -9.505 12.512 0.725 1.00 2.34 H new ATOM 0 HD21 LEU A2058 -7.757 15.025 0.692 1.00 2.10 H new ATOM 0 HD22 LEU A2058 -9.536 15.055 0.703 1.00 2.10 H new ATOM 0 HD23 LEU A2058 -8.624 15.926 1.958 1.00 2.10 H new ATOM 77 N VAL A2059 -10.865 10.499 2.916 1.00 0.86 N ATOM 78 CA VAL A2059 -11.882 9.649 2.298 1.00 0.74 C ATOM 79 C VAL A2059 -11.662 8.200 2.654 1.00 0.66 C ATOM 80 O VAL A2059 -11.076 7.461 1.870 1.00 0.62 O ATOM 81 CB VAL A2059 -11.911 9.735 0.759 1.00 0.75 C ATOM 82 CG1 VAL A2059 -13.340 9.599 0.253 1.00 0.80 C ATOM 83 CG2 VAL A2059 -11.258 11.003 0.246 1.00 0.87 C ATOM 0 H VAL A2059 -9.919 10.117 2.918 1.00 0.86 H new ATOM 0 HA VAL A2059 -12.829 10.022 2.689 1.00 0.74 H new ATOM 0 HB VAL A2059 -11.324 8.905 0.366 1.00 0.75 H new ATOM 0 HG11 VAL A2059 -13.348 9.661 -0.835 1.00 0.80 H new ATOM 0 HG12 VAL A2059 -13.746 8.637 0.564 1.00 0.80 H new ATOM 0 HG13 VAL A2059 -13.950 10.402 0.667 1.00 0.80 H new ATOM 0 HG21 VAL A2059 -11.302 11.020 -0.843 1.00 0.87 H new ATOM 0 HG22 VAL A2059 -11.785 11.870 0.644 1.00 0.87 H new ATOM 0 HG23 VAL A2059 -10.217 11.032 0.568 1.00 0.87 H new ATOM 93 N PRO A2060 -12.135 7.771 3.828 1.00 0.71 N ATOM 94 CA PRO A2060 -11.985 6.389 4.258 1.00 0.72 C ATOM 95 C PRO A2060 -12.503 5.414 3.203 1.00 0.59 C ATOM 96 O PRO A2060 -13.679 5.456 2.824 1.00 0.58 O ATOM 97 CB PRO A2060 -12.831 6.306 5.528 1.00 0.87 C ATOM 98 CG PRO A2060 -12.935 7.705 6.025 1.00 1.04 C ATOM 99 CD PRO A2060 -12.847 8.596 4.817 1.00 0.86 C ATOM 0 HA PRO A2060 -10.941 6.120 4.421 1.00 0.72 H new ATOM 0 HB2 PRO A2060 -13.816 5.890 5.317 1.00 0.87 H new ATOM 0 HB3 PRO A2060 -12.363 5.659 6.270 1.00 0.87 H new ATOM 0 HG2 PRO A2060 -13.876 7.860 6.553 1.00 1.04 H new ATOM 0 HG3 PRO A2060 -12.133 7.927 6.730 1.00 1.04 H new ATOM 0 HD2 PRO A2060 -13.835 8.886 4.460 1.00 0.86 H new ATOM 0 HD3 PRO A2060 -12.305 9.516 5.036 1.00 0.86 H new ATOM 107 N ILE A2061 -11.599 4.571 2.719 1.00 0.62 N ATOM 108 CA ILE A2061 -11.900 3.567 1.699 1.00 0.56 C ATOM 109 C ILE A2061 -13.191 2.813 1.995 1.00 0.51 C ATOM 110 O ILE A2061 -13.449 2.408 3.132 1.00 0.57 O ATOM 111 CB ILE A2061 -10.740 2.558 1.579 1.00 0.69 C ATOM 112 CG1 ILE A2061 -9.477 3.261 1.075 1.00 0.77 C ATOM 113 CG2 ILE A2061 -11.108 1.384 0.680 1.00 0.75 C ATOM 114 CD1 ILE A2061 -9.612 3.908 -0.289 1.00 0.76 C ATOM 0 H ILE A2061 -10.626 4.563 3.025 1.00 0.62 H new ATOM 0 HA ILE A2061 -12.028 4.102 0.758 1.00 0.56 H new ATOM 0 HB ILE A2061 -10.541 2.153 2.571 1.00 0.69 H new ATOM 0 HG12 ILE A2061 -9.190 4.025 1.797 1.00 0.77 H new ATOM 0 HG13 ILE A2061 -8.664 2.536 1.039 1.00 0.77 H new ATOM 0 HG21 ILE A2061 -10.266 0.694 0.619 1.00 0.75 H new ATOM 0 HG22 ILE A2061 -11.973 0.866 1.094 1.00 0.75 H new ATOM 0 HG23 ILE A2061 -11.349 1.751 -0.318 1.00 0.75 H new ATOM 0 HD11 ILE A2061 -8.669 4.381 -0.562 1.00 0.76 H new ATOM 0 HD12 ILE A2061 -9.865 3.148 -1.029 1.00 0.76 H new ATOM 0 HD13 ILE A2061 -10.400 4.661 -0.258 1.00 0.76 H new ATOM 126 N ASP A2062 -13.997 2.635 0.958 1.00 0.45 N ATOM 127 CA ASP A2062 -15.255 1.921 1.079 1.00 0.43 C ATOM 128 C ASP A2062 -14.992 0.432 1.262 1.00 0.43 C ATOM 129 O ASP A2062 -14.094 -0.130 0.639 1.00 0.43 O ATOM 130 CB ASP A2062 -16.119 2.150 -0.156 1.00 0.44 C ATOM 131 CG ASP A2062 -17.538 1.675 0.052 1.00 0.71 C ATOM 132 OD1 ASP A2062 -18.410 2.517 0.351 1.00 1.42 O ATOM 133 OD2 ASP A2062 -17.784 0.460 -0.060 1.00 1.40 O ATOM 0 H ASP A2062 -13.798 2.979 0.018 1.00 0.45 H new ATOM 0 HA ASP A2062 -15.788 2.299 1.951 1.00 0.43 H new ATOM 0 HB2 ASP A2062 -16.124 3.212 -0.403 1.00 0.44 H new ATOM 0 HB3 ASP A2062 -15.682 1.627 -1.007 1.00 0.44 H new ATOM 138 N GLU A2063 -15.782 -0.205 2.102 1.00 0.47 N ATOM 139 CA GLU A2063 -15.527 -1.583 2.483 1.00 0.52 C ATOM 140 C GLU A2063 -16.158 -2.576 1.508 1.00 0.51 C ATOM 141 O GLU A2063 -15.911 -3.779 1.597 1.00 0.58 O ATOM 142 CB GLU A2063 -16.040 -1.825 3.901 1.00 0.64 C ATOM 143 CG GLU A2063 -15.401 -0.906 4.931 1.00 0.72 C ATOM 144 CD GLU A2063 -15.923 -1.141 6.335 1.00 0.87 C ATOM 145 OE1 GLU A2063 -17.093 -0.797 6.601 1.00 1.55 O ATOM 146 OE2 GLU A2063 -15.167 -1.654 7.186 1.00 1.30 O ATOM 0 H GLU A2063 -16.608 0.208 2.535 1.00 0.47 H new ATOM 0 HA GLU A2063 -14.450 -1.747 2.450 1.00 0.52 H new ATOM 0 HB2 GLU A2063 -17.121 -1.685 3.919 1.00 0.64 H new ATOM 0 HB3 GLU A2063 -15.848 -2.861 4.179 1.00 0.64 H new ATOM 0 HG2 GLU A2063 -14.321 -1.053 4.921 1.00 0.72 H new ATOM 0 HG3 GLU A2063 -15.585 0.131 4.649 1.00 0.72 H new ATOM 153 N THR A2064 -16.962 -2.086 0.571 1.00 0.49 N ATOM 154 CA THR A2064 -17.634 -2.973 -0.372 1.00 0.54 C ATOM 155 C THR A2064 -17.018 -2.889 -1.767 1.00 0.50 C ATOM 156 O THR A2064 -17.527 -3.482 -2.719 1.00 0.59 O ATOM 157 CB THR A2064 -19.146 -2.680 -0.456 1.00 0.60 C ATOM 158 OG1 THR A2064 -19.379 -1.330 -0.876 1.00 0.58 O ATOM 159 CG2 THR A2064 -19.814 -2.919 0.887 1.00 0.69 C ATOM 0 H THR A2064 -17.163 -1.094 0.444 1.00 0.49 H new ATOM 0 HA THR A2064 -17.496 -3.985 0.009 1.00 0.54 H new ATOM 0 HB THR A2064 -19.577 -3.358 -1.192 1.00 0.60 H new ATOM 0 HG1 THR A2064 -18.962 -0.713 -0.239 1.00 0.58 H new ATOM 0 HG21 THR A2064 -20.880 -2.707 0.806 1.00 0.69 H new ATOM 0 HG22 THR A2064 -19.673 -3.958 1.184 1.00 0.69 H new ATOM 0 HG23 THR A2064 -19.369 -2.264 1.636 1.00 0.69 H new ATOM 167 N VAL A2065 -15.920 -2.155 -1.887 1.00 0.44 N ATOM 168 CA VAL A2065 -15.213 -2.046 -3.159 1.00 0.43 C ATOM 169 C VAL A2065 -14.037 -3.017 -3.187 1.00 0.37 C ATOM 170 O VAL A2065 -13.884 -3.822 -2.271 1.00 0.46 O ATOM 171 CB VAL A2065 -14.704 -0.612 -3.405 1.00 0.48 C ATOM 172 CG1 VAL A2065 -15.865 0.367 -3.462 1.00 0.82 C ATOM 173 CG2 VAL A2065 -13.705 -0.205 -2.335 1.00 0.57 C ATOM 0 H VAL A2065 -15.499 -1.627 -1.122 1.00 0.44 H new ATOM 0 HA VAL A2065 -15.918 -2.296 -3.952 1.00 0.43 H new ATOM 0 HB VAL A2065 -14.195 -0.591 -4.369 1.00 0.48 H new ATOM 0 HG11 VAL A2065 -15.484 1.373 -3.636 1.00 0.82 H new ATOM 0 HG12 VAL A2065 -16.537 0.088 -4.273 1.00 0.82 H new ATOM 0 HG13 VAL A2065 -16.408 0.343 -2.517 1.00 0.82 H new ATOM 0 HG21 VAL A2065 -13.359 0.810 -2.528 1.00 0.57 H new ATOM 0 HG22 VAL A2065 -14.183 -0.245 -1.356 1.00 0.57 H new ATOM 0 HG23 VAL A2065 -12.855 -0.888 -2.352 1.00 0.57 H new ATOM 183 N GLU A2066 -13.226 -2.954 -4.238 1.00 0.34 N ATOM 184 CA GLU A2066 -12.054 -3.815 -4.350 1.00 0.32 C ATOM 185 C GLU A2066 -10.795 -3.088 -3.886 1.00 0.26 C ATOM 186 O GLU A2066 -10.296 -2.184 -4.570 1.00 0.28 O ATOM 187 CB GLU A2066 -11.858 -4.294 -5.791 1.00 0.40 C ATOM 188 CG GLU A2066 -10.604 -5.134 -5.986 1.00 0.43 C ATOM 189 CD GLU A2066 -10.289 -5.394 -7.447 1.00 0.61 C ATOM 190 OE1 GLU A2066 -9.371 -4.741 -7.993 1.00 0.68 O ATOM 191 OE2 GLU A2066 -10.951 -6.257 -8.058 1.00 0.78 O ATOM 0 H GLU A2066 -13.358 -2.317 -5.023 1.00 0.34 H new ATOM 0 HA GLU A2066 -12.225 -4.679 -3.708 1.00 0.32 H new ATOM 0 HB2 GLU A2066 -12.727 -4.878 -6.093 1.00 0.40 H new ATOM 0 HB3 GLU A2066 -11.811 -3.427 -6.450 1.00 0.40 H new ATOM 0 HG2 GLU A2066 -9.758 -4.628 -5.522 1.00 0.43 H new ATOM 0 HG3 GLU A2066 -10.727 -6.087 -5.471 1.00 0.43 H new ATOM 198 N PRO A2067 -10.298 -3.427 -2.692 1.00 0.27 N ATOM 199 CA PRO A2067 -8.990 -3.023 -2.238 1.00 0.30 C ATOM 200 C PRO A2067 -7.973 -4.156 -2.404 1.00 0.28 C ATOM 201 O PRO A2067 -8.035 -5.170 -1.708 1.00 0.34 O ATOM 202 CB PRO A2067 -9.253 -2.713 -0.764 1.00 0.41 C ATOM 203 CG PRO A2067 -10.445 -3.549 -0.373 1.00 0.45 C ATOM 204 CD PRO A2067 -10.991 -4.174 -1.637 1.00 0.37 C ATOM 0 HA PRO A2067 -8.565 -2.186 -2.792 1.00 0.30 H new ATOM 0 HB2 PRO A2067 -8.385 -2.959 -0.152 1.00 0.41 H new ATOM 0 HB3 PRO A2067 -9.455 -1.652 -0.618 1.00 0.41 H new ATOM 0 HG2 PRO A2067 -10.156 -4.319 0.342 1.00 0.45 H new ATOM 0 HG3 PRO A2067 -11.204 -2.934 0.110 1.00 0.45 H new ATOM 0 HD2 PRO A2067 -10.774 -5.241 -1.687 1.00 0.37 H new ATOM 0 HD3 PRO A2067 -12.073 -4.065 -1.708 1.00 0.37 H new ATOM 212 N THR A2068 -7.055 -3.994 -3.341 1.00 0.29 N ATOM 213 CA THR A2068 -6.094 -5.041 -3.656 1.00 0.32 C ATOM 214 C THR A2068 -4.700 -4.464 -3.850 1.00 0.39 C ATOM 215 O THR A2068 -4.485 -3.263 -3.730 1.00 0.70 O ATOM 216 CB THR A2068 -6.501 -5.790 -4.941 1.00 0.34 C ATOM 217 OG1 THR A2068 -6.893 -4.854 -5.954 1.00 0.38 O ATOM 218 CG2 THR A2068 -7.633 -6.769 -4.678 1.00 0.36 C ATOM 0 H THR A2068 -6.953 -3.146 -3.899 1.00 0.29 H new ATOM 0 HA THR A2068 -6.085 -5.734 -2.815 1.00 0.32 H new ATOM 0 HB THR A2068 -5.636 -6.357 -5.285 1.00 0.34 H new ATOM 0 HG1 THR A2068 -7.704 -5.176 -6.401 1.00 0.38 H new ATOM 0 HG21 THR A2068 -7.895 -7.280 -5.605 1.00 0.36 H new ATOM 0 HG22 THR A2068 -7.315 -7.502 -3.937 1.00 0.36 H new ATOM 0 HG23 THR A2068 -8.502 -6.228 -4.304 1.00 0.36 H new ATOM 226 N PHE A2069 -3.745 -5.335 -4.101 1.00 0.25 N ATOM 227 CA PHE A2069 -2.431 -4.907 -4.532 1.00 0.26 C ATOM 228 C PHE A2069 -2.345 -5.097 -6.031 1.00 0.27 C ATOM 229 O PHE A2069 -2.980 -6.010 -6.558 1.00 0.31 O ATOM 230 CB PHE A2069 -1.329 -5.704 -3.835 1.00 0.31 C ATOM 231 CG PHE A2069 -1.267 -5.514 -2.343 1.00 0.28 C ATOM 232 CD1 PHE A2069 -0.051 -5.538 -1.684 1.00 1.14 C ATOM 233 CD2 PHE A2069 -2.419 -5.314 -1.599 1.00 1.12 C ATOM 234 CE1 PHE A2069 0.010 -5.366 -0.319 1.00 1.16 C ATOM 235 CE2 PHE A2069 -2.364 -5.141 -0.238 1.00 1.15 C ATOM 236 CZ PHE A2069 -1.152 -5.167 0.403 1.00 0.42 C ATOM 0 H PHE A2069 -3.855 -6.345 -4.014 1.00 0.25 H new ATOM 0 HA PHE A2069 -2.287 -3.859 -4.269 1.00 0.26 H new ATOM 0 HB2 PHE A2069 -1.475 -6.763 -4.048 1.00 0.31 H new ATOM 0 HB3 PHE A2069 -0.368 -5.422 -4.264 1.00 0.31 H new ATOM 0 HD1 PHE A2069 0.859 -5.693 -2.245 1.00 1.14 H new ATOM 0 HD2 PHE A2069 -3.376 -5.294 -2.098 1.00 1.12 H new ATOM 0 HE1 PHE A2069 0.964 -5.387 0.187 1.00 1.16 H new ATOM 0 HE2 PHE A2069 -3.272 -4.985 0.326 1.00 1.15 H new ATOM 0 HZ PHE A2069 -1.105 -5.032 1.473 1.00 0.42 H new ATOM 246 N GLU A2070 -1.567 -4.258 -6.708 1.00 0.30 N ATOM 247 CA GLU A2070 -1.532 -4.240 -8.170 1.00 0.36 C ATOM 248 C GLU A2070 -1.375 -5.647 -8.747 1.00 0.36 C ATOM 249 O GLU A2070 -2.081 -6.028 -9.681 1.00 0.44 O ATOM 250 CB GLU A2070 -0.387 -3.356 -8.668 1.00 0.52 C ATOM 251 CG GLU A2070 -0.208 -3.391 -10.178 1.00 0.66 C ATOM 252 CD GLU A2070 0.979 -2.581 -10.648 1.00 1.36 C ATOM 253 OE1 GLU A2070 0.770 -1.529 -11.290 1.00 2.09 O ATOM 254 OE2 GLU A2070 2.128 -2.992 -10.385 1.00 2.01 O ATOM 0 H GLU A2070 -0.949 -3.578 -6.266 1.00 0.30 H new ATOM 0 HA GLU A2070 -2.483 -3.832 -8.511 1.00 0.36 H new ATOM 0 HB2 GLU A2070 -0.569 -2.328 -8.355 1.00 0.52 H new ATOM 0 HB3 GLU A2070 0.541 -3.674 -8.192 1.00 0.52 H new ATOM 0 HG2 GLU A2070 -0.087 -4.425 -10.501 1.00 0.66 H new ATOM 0 HG3 GLU A2070 -1.112 -3.012 -10.655 1.00 0.66 H new ATOM 261 N ASP A2071 -0.471 -6.424 -8.161 1.00 0.40 N ATOM 262 CA ASP A2071 -0.144 -7.751 -8.675 1.00 0.53 C ATOM 263 C ASP A2071 -1.123 -8.813 -8.170 1.00 0.50 C ATOM 264 O ASP A2071 -0.867 -10.011 -8.294 1.00 0.62 O ATOM 265 CB ASP A2071 1.290 -8.135 -8.292 1.00 0.69 C ATOM 266 CG ASP A2071 2.324 -7.189 -8.873 1.00 1.42 C ATOM 267 OD1 ASP A2071 3.066 -6.550 -8.092 1.00 2.06 O ATOM 268 OD2 ASP A2071 2.400 -7.070 -10.114 1.00 2.15 O ATOM 0 H ASP A2071 0.051 -6.157 -7.326 1.00 0.40 H new ATOM 0 HA ASP A2071 -0.227 -7.709 -9.761 1.00 0.53 H new ATOM 0 HB2 ASP A2071 1.382 -8.144 -7.206 1.00 0.69 H new ATOM 0 HB3 ASP A2071 1.495 -9.148 -8.638 1.00 0.69 H new ATOM 273 N GLY A2072 -2.243 -8.374 -7.608 1.00 0.43 N ATOM 274 CA GLY A2072 -3.259 -9.301 -7.140 1.00 0.48 C ATOM 275 C GLY A2072 -2.945 -9.871 -5.770 1.00 0.48 C ATOM 276 O GLY A2072 -3.386 -10.968 -5.429 1.00 0.63 O ATOM 0 H GLY A2072 -2.467 -7.389 -7.467 1.00 0.43 H new ATOM 0 HA2 GLY A2072 -4.222 -8.791 -7.105 1.00 0.48 H new ATOM 0 HA3 GLY A2072 -3.357 -10.118 -7.855 1.00 0.48 H new ATOM 280 N SER A2073 -2.183 -9.128 -4.986 1.00 0.37 N ATOM 281 CA SER A2073 -1.794 -9.570 -3.655 1.00 0.38 C ATOM 282 C SER A2073 -2.697 -8.947 -2.584 1.00 0.35 C ATOM 283 O SER A2073 -3.470 -8.028 -2.872 1.00 0.38 O ATOM 284 CB SER A2073 -0.325 -9.217 -3.418 1.00 0.46 C ATOM 285 OG SER A2073 0.131 -8.270 -4.373 1.00 0.89 O ATOM 0 H SER A2073 -1.819 -8.212 -5.248 1.00 0.37 H new ATOM 0 HA SER A2073 -1.914 -10.651 -3.585 1.00 0.38 H new ATOM 0 HB2 SER A2073 -0.202 -8.814 -2.413 1.00 0.46 H new ATOM 0 HB3 SER A2073 0.284 -10.119 -3.476 1.00 0.46 H new ATOM 0 HG SER A2073 1.072 -8.058 -4.200 1.00 0.89 H new ATOM 291 N LYS A2074 -2.622 -9.473 -1.361 1.00 0.35 N ATOM 292 CA LYS A2074 -3.464 -8.995 -0.262 1.00 0.34 C ATOM 293 C LYS A2074 -2.620 -8.533 0.931 1.00 0.34 C ATOM 294 O LYS A2074 -3.055 -7.703 1.726 1.00 0.42 O ATOM 295 CB LYS A2074 -4.444 -10.090 0.175 1.00 0.39 C ATOM 296 CG LYS A2074 -5.434 -10.505 -0.907 1.00 0.53 C ATOM 297 CD LYS A2074 -6.337 -9.349 -1.320 1.00 0.43 C ATOM 298 CE LYS A2074 -7.334 -9.766 -2.394 1.00 0.55 C ATOM 299 NZ LYS A2074 -8.308 -10.777 -1.898 1.00 1.13 N ATOM 0 H LYS A2074 -1.987 -10.230 -1.106 1.00 0.35 H new ATOM 0 HA LYS A2074 -4.029 -8.137 -0.626 1.00 0.34 H new ATOM 0 HB2 LYS A2074 -3.877 -10.966 0.489 1.00 0.39 H new ATOM 0 HB3 LYS A2074 -4.999 -9.740 1.046 1.00 0.39 H new ATOM 0 HG2 LYS A2074 -4.889 -10.870 -1.778 1.00 0.53 H new ATOM 0 HG3 LYS A2074 -6.045 -11.332 -0.544 1.00 0.53 H new ATOM 0 HD2 LYS A2074 -6.876 -8.979 -0.448 1.00 0.43 H new ATOM 0 HD3 LYS A2074 -5.727 -8.525 -1.691 1.00 0.43 H new ATOM 0 HE2 LYS A2074 -7.874 -8.887 -2.747 1.00 0.55 H new ATOM 0 HE3 LYS A2074 -6.795 -10.173 -3.249 1.00 0.55 H new ATOM 0 HZ1 LYS A2074 -9.064 -10.905 -2.601 1.00 1.13 H new ATOM 0 HZ2 LYS A2074 -7.821 -11.683 -1.745 1.00 1.13 H new ATOM 0 HZ3 LYS A2074 -8.721 -10.450 -1.001 1.00 1.13 H new ATOM 313 N GLU A2075 -1.428 -9.086 1.064 1.00 0.33 N ATOM 314 CA GLU A2075 -0.471 -8.624 2.059 1.00 0.32 C ATOM 315 C GLU A2075 0.935 -8.799 1.527 1.00 0.34 C ATOM 316 O GLU A2075 1.262 -9.829 0.938 1.00 0.47 O ATOM 317 CB GLU A2075 -0.637 -9.367 3.396 1.00 0.36 C ATOM 318 CG GLU A2075 0.625 -9.417 4.245 1.00 0.91 C ATOM 319 CD GLU A2075 0.492 -10.348 5.432 1.00 1.40 C ATOM 320 OE1 GLU A2075 0.747 -11.559 5.270 1.00 2.08 O ATOM 321 OE2 GLU A2075 0.132 -9.881 6.534 1.00 1.88 O ATOM 0 H GLU A2075 -1.096 -9.862 0.491 1.00 0.33 H new ATOM 0 HA GLU A2075 -0.660 -7.568 2.250 1.00 0.32 H new ATOM 0 HB2 GLU A2075 -1.428 -8.885 3.970 1.00 0.36 H new ATOM 0 HB3 GLU A2075 -0.965 -10.386 3.194 1.00 0.36 H new ATOM 0 HG2 GLU A2075 1.462 -9.740 3.626 1.00 0.91 H new ATOM 0 HG3 GLU A2075 0.860 -8.413 4.600 1.00 0.91 H new ATOM 328 N LYS A2076 1.751 -7.784 1.709 1.00 0.35 N ATOM 329 CA LYS A2076 3.134 -7.851 1.297 1.00 0.38 C ATOM 330 C LYS A2076 4.026 -7.464 2.458 1.00 0.37 C ATOM 331 O LYS A2076 4.190 -6.280 2.757 1.00 0.37 O ATOM 332 CB LYS A2076 3.383 -6.920 0.111 1.00 0.44 C ATOM 333 CG LYS A2076 4.752 -7.072 -0.549 1.00 0.88 C ATOM 334 CD LYS A2076 4.886 -8.394 -1.295 1.00 0.91 C ATOM 335 CE LYS A2076 5.517 -9.478 -0.436 1.00 0.88 C ATOM 336 NZ LYS A2076 5.527 -10.793 -1.127 1.00 1.48 N ATOM 0 H LYS A2076 1.479 -6.901 2.141 1.00 0.35 H new ATOM 0 HA LYS A2076 3.364 -8.871 0.988 1.00 0.38 H new ATOM 0 HB2 LYS A2076 2.612 -7.097 -0.639 1.00 0.44 H new ATOM 0 HB3 LYS A2076 3.270 -5.889 0.447 1.00 0.44 H new ATOM 0 HG2 LYS A2076 4.913 -6.247 -1.243 1.00 0.88 H new ATOM 0 HG3 LYS A2076 5.530 -7.005 0.212 1.00 0.88 H new ATOM 0 HD2 LYS A2076 3.901 -8.723 -1.627 1.00 0.91 H new ATOM 0 HD3 LYS A2076 5.490 -8.244 -2.190 1.00 0.91 H new ATOM 0 HE2 LYS A2076 6.538 -9.193 -0.183 1.00 0.88 H new ATOM 0 HE3 LYS A2076 4.968 -9.564 0.502 1.00 0.88 H new ATOM 0 HZ1 LYS A2076 5.965 -11.506 -0.510 1.00 1.48 H new ATOM 0 HZ2 LYS A2076 4.551 -11.077 -1.346 1.00 1.48 H new ATOM 0 HZ3 LYS A2076 6.072 -10.717 -2.009 1.00 1.48 H new ATOM 350 N THR A2077 4.576 -8.456 3.130 1.00 0.45 N ATOM 351 CA THR A2077 5.492 -8.197 4.214 1.00 0.47 C ATOM 352 C THR A2077 6.901 -8.598 3.833 1.00 0.52 C ATOM 353 O THR A2077 7.190 -9.773 3.611 1.00 0.63 O ATOM 354 CB THR A2077 5.099 -8.935 5.502 1.00 0.50 C ATOM 355 OG1 THR A2077 3.741 -8.637 5.846 1.00 0.48 O ATOM 356 CG2 THR A2077 6.015 -8.520 6.640 1.00 0.55 C ATOM 0 H THR A2077 4.403 -9.444 2.943 1.00 0.45 H new ATOM 0 HA THR A2077 5.446 -7.125 4.404 1.00 0.47 H new ATOM 0 HB THR A2077 5.198 -10.007 5.334 1.00 0.50 H new ATOM 0 HG1 THR A2077 3.500 -9.113 6.668 1.00 0.48 H new ATOM 0 HG21 THR A2077 5.728 -9.049 7.549 1.00 0.55 H new ATOM 0 HG22 THR A2077 7.046 -8.767 6.386 1.00 0.55 H new ATOM 0 HG23 THR A2077 5.929 -7.446 6.803 1.00 0.55 H new ATOM 364 N ILE A2078 7.765 -7.611 3.739 1.00 0.51 N ATOM 365 CA ILE A2078 9.172 -7.854 3.510 1.00 0.60 C ATOM 366 C ILE A2078 9.957 -7.236 4.656 1.00 0.60 C ATOM 367 O ILE A2078 9.841 -6.035 4.902 1.00 0.53 O ATOM 368 CB ILE A2078 9.642 -7.267 2.163 1.00 0.67 C ATOM 369 CG1 ILE A2078 8.808 -7.850 1.014 1.00 0.75 C ATOM 370 CG2 ILE A2078 11.123 -7.560 1.948 1.00 0.80 C ATOM 371 CD1 ILE A2078 9.070 -7.211 -0.331 1.00 1.62 C ATOM 0 H ILE A2078 7.515 -6.625 3.818 1.00 0.51 H new ATOM 0 HA ILE A2078 9.343 -8.930 3.466 1.00 0.60 H new ATOM 0 HB ILE A2078 9.502 -6.186 2.182 1.00 0.67 H new ATOM 0 HG12 ILE A2078 9.009 -8.919 0.941 1.00 0.75 H new ATOM 0 HG13 ILE A2078 7.751 -7.740 1.256 1.00 0.75 H new ATOM 0 HG21 ILE A2078 11.442 -7.140 0.994 1.00 0.80 H new ATOM 0 HG22 ILE A2078 11.703 -7.111 2.754 1.00 0.80 H new ATOM 0 HG23 ILE A2078 11.283 -8.638 1.942 1.00 0.80 H new ATOM 0 HD11 ILE A2078 8.440 -7.681 -1.086 1.00 1.62 H new ATOM 0 HD12 ILE A2078 8.841 -6.147 -0.279 1.00 1.62 H new ATOM 0 HD13 ILE A2078 10.118 -7.344 -0.599 1.00 1.62 H new ATOM 383 N PRO A2079 10.719 -8.056 5.398 1.00 0.72 N ATOM 384 CA PRO A2079 11.470 -7.609 6.578 1.00 0.79 C ATOM 385 C PRO A2079 12.246 -6.317 6.334 1.00 0.74 C ATOM 386 O PRO A2079 13.209 -6.287 5.562 1.00 0.76 O ATOM 387 CB PRO A2079 12.426 -8.771 6.840 1.00 0.94 C ATOM 388 CG PRO A2079 11.703 -9.968 6.333 1.00 0.98 C ATOM 389 CD PRO A2079 10.906 -9.499 5.146 1.00 0.85 C ATOM 0 HA PRO A2079 10.812 -7.377 7.415 1.00 0.79 H new ATOM 0 HB2 PRO A2079 13.374 -8.630 6.321 1.00 0.94 H new ATOM 0 HB3 PRO A2079 12.655 -8.865 7.902 1.00 0.94 H new ATOM 0 HG2 PRO A2079 12.402 -10.754 6.048 1.00 0.98 H new ATOM 0 HG3 PRO A2079 11.051 -10.384 7.101 1.00 0.98 H new ATOM 0 HD2 PRO A2079 11.438 -9.677 4.211 1.00 0.85 H new ATOM 0 HD3 PRO A2079 9.951 -10.020 5.074 1.00 0.85 H new ATOM 397 N GLY A2080 11.806 -5.251 6.990 1.00 0.73 N ATOM 398 CA GLY A2080 12.463 -3.969 6.855 1.00 0.76 C ATOM 399 C GLY A2080 11.647 -2.980 6.047 1.00 0.70 C ATOM 400 O GLY A2080 11.907 -1.778 6.090 1.00 0.94 O ATOM 0 H GLY A2080 11.001 -5.254 7.616 1.00 0.73 H new ATOM 0 HA2 GLY A2080 12.652 -3.555 7.846 1.00 0.76 H new ATOM 0 HA3 GLY A2080 13.433 -4.110 6.378 1.00 0.76 H new ATOM 404 N GLN A2081 10.655 -3.477 5.320 1.00 0.54 N ATOM 405 CA GLN A2081 9.825 -2.621 4.481 1.00 0.53 C ATOM 406 C GLN A2081 8.532 -2.263 5.188 1.00 0.50 C ATOM 407 O GLN A2081 8.030 -1.147 5.063 1.00 0.57 O ATOM 408 CB GLN A2081 9.500 -3.308 3.156 1.00 0.57 C ATOM 409 CG GLN A2081 10.715 -3.558 2.288 1.00 0.95 C ATOM 410 CD GLN A2081 10.365 -4.132 0.926 1.00 1.09 C ATOM 411 OE1 GLN A2081 11.165 -4.838 0.322 1.00 2.02 O ATOM 412 NE2 GLN A2081 9.171 -3.828 0.424 1.00 0.87 N ATOM 0 H GLN A2081 10.405 -4.466 5.294 1.00 0.54 H new ATOM 0 HA GLN A2081 10.389 -1.710 4.283 1.00 0.53 H new ATOM 0 HB2 GLN A2081 9.008 -4.259 3.361 1.00 0.57 H new ATOM 0 HB3 GLN A2081 8.789 -2.694 2.603 1.00 0.57 H new ATOM 0 HG2 GLN A2081 11.257 -2.622 2.153 1.00 0.95 H new ATOM 0 HG3 GLN A2081 11.387 -4.244 2.803 1.00 0.95 H new ATOM 0 HE21 GLN A2081 8.530 -3.238 0.954 1.00 0.87 H new ATOM 0 HE22 GLN A2081 8.896 -4.185 -0.491 1.00 0.87 H new ATOM 421 N GLY A2082 7.998 -3.220 5.924 1.00 0.47 N ATOM 422 CA GLY A2082 6.736 -3.021 6.595 1.00 0.50 C ATOM 423 C GLY A2082 5.698 -4.006 6.105 1.00 0.40 C ATOM 424 O GLY A2082 6.038 -4.987 5.434 1.00 0.45 O ATOM 0 H GLY A2082 8.420 -4.137 6.069 1.00 0.47 H new ATOM 0 HA2 GLY A2082 6.871 -3.135 7.671 1.00 0.50 H new ATOM 0 HA3 GLY A2082 6.386 -2.003 6.423 1.00 0.50 H new ATOM 428 N THR A2083 4.439 -3.763 6.434 1.00 0.33 N ATOM 429 CA THR A2083 3.360 -4.579 5.914 1.00 0.29 C ATOM 430 C THR A2083 2.274 -3.711 5.309 1.00 0.25 C ATOM 431 O THR A2083 1.681 -2.852 5.971 1.00 0.30 O ATOM 432 CB THR A2083 2.731 -5.497 6.984 1.00 0.36 C ATOM 433 OG1 THR A2083 3.748 -6.321 7.569 1.00 0.49 O ATOM 434 CG2 THR A2083 1.638 -6.388 6.376 1.00 0.36 C ATOM 0 H THR A2083 4.143 -3.011 7.056 1.00 0.33 H new ATOM 0 HA THR A2083 3.805 -5.214 5.148 1.00 0.29 H new ATOM 0 HB THR A2083 2.276 -4.868 7.749 1.00 0.36 H new ATOM 0 HG1 THR A2083 3.788 -7.178 7.095 1.00 0.49 H new ATOM 0 HG21 THR A2083 1.213 -7.024 7.153 1.00 0.36 H new ATOM 0 HG22 THR A2083 0.854 -5.762 5.950 1.00 0.36 H new ATOM 0 HG23 THR A2083 2.070 -7.011 5.593 1.00 0.36 H new ATOM 442 N TYR A2084 2.049 -3.914 4.037 1.00 0.28 N ATOM 443 CA TYR A2084 0.894 -3.362 3.384 1.00 0.34 C ATOM 444 C TYR A2084 -0.159 -4.451 3.415 1.00 0.32 C ATOM 445 O TYR A2084 0.106 -5.572 2.979 1.00 0.29 O ATOM 446 CB TYR A2084 1.250 -2.945 1.955 1.00 0.43 C ATOM 447 CG TYR A2084 2.694 -2.506 1.819 1.00 0.44 C ATOM 448 CD1 TYR A2084 3.178 -1.400 2.510 1.00 1.13 C ATOM 449 CD2 TYR A2084 3.580 -3.214 1.016 1.00 1.38 C ATOM 450 CE1 TYR A2084 4.500 -1.016 2.403 1.00 1.15 C ATOM 451 CE2 TYR A2084 4.902 -2.832 0.903 1.00 1.44 C ATOM 452 CZ TYR A2084 5.358 -1.737 1.600 1.00 0.62 C ATOM 453 OH TYR A2084 6.675 -1.360 1.486 1.00 0.76 O ATOM 0 H TYR A2084 2.657 -4.463 3.429 1.00 0.28 H new ATOM 0 HA TYR A2084 0.525 -2.464 3.880 1.00 0.34 H new ATOM 0 HB2 TYR A2084 1.063 -3.780 1.280 1.00 0.43 H new ATOM 0 HB3 TYR A2084 0.596 -2.130 1.644 1.00 0.43 H new ATOM 0 HD1 TYR A2084 2.509 -0.833 3.140 1.00 1.13 H new ATOM 0 HD2 TYR A2084 3.229 -4.078 0.471 1.00 1.38 H new ATOM 0 HE1 TYR A2084 4.860 -0.155 2.946 1.00 1.15 H new ATOM 0 HE2 TYR A2084 5.575 -3.391 0.270 1.00 1.44 H new ATOM 0 HH TYR A2084 6.965 -0.929 2.317 1.00 0.76 H new ATOM 463 N THR A2085 -1.315 -4.164 3.988 1.00 0.39 N ATOM 464 CA THR A2085 -2.271 -5.222 4.276 1.00 0.40 C ATOM 465 C THR A2085 -3.701 -4.833 3.935 1.00 0.41 C ATOM 466 O THR A2085 -4.101 -3.677 4.103 1.00 0.49 O ATOM 467 CB THR A2085 -2.206 -5.614 5.764 1.00 0.46 C ATOM 468 OG1 THR A2085 -1.250 -4.786 6.443 1.00 0.63 O ATOM 469 CG2 THR A2085 -1.812 -7.070 5.927 1.00 0.57 C ATOM 0 H THR A2085 -1.612 -3.227 4.259 1.00 0.39 H new ATOM 0 HA THR A2085 -1.992 -6.066 3.646 1.00 0.40 H new ATOM 0 HB THR A2085 -3.196 -5.470 6.196 1.00 0.46 H new ATOM 0 HG1 THR A2085 -1.213 -5.038 7.389 1.00 0.63 H new ATOM 0 HG21 THR A2085 -1.774 -7.320 6.987 1.00 0.57 H new ATOM 0 HG22 THR A2085 -2.547 -7.704 5.431 1.00 0.57 H new ATOM 0 HG23 THR A2085 -0.831 -7.234 5.480 1.00 0.57 H new ATOM 477 N ILE A2086 -4.452 -5.806 3.438 1.00 0.39 N ATOM 478 CA ILE A2086 -5.883 -5.662 3.244 1.00 0.40 C ATOM 479 C ILE A2086 -6.587 -6.950 3.660 1.00 0.45 C ATOM 480 O ILE A2086 -6.160 -8.048 3.299 1.00 0.55 O ATOM 481 CB ILE A2086 -6.239 -5.299 1.772 1.00 0.47 C ATOM 482 CG1 ILE A2086 -7.761 -5.152 1.578 1.00 0.56 C ATOM 483 CG2 ILE A2086 -5.674 -6.325 0.799 1.00 0.57 C ATOM 484 CD1 ILE A2086 -8.496 -6.441 1.257 1.00 1.18 C ATOM 0 H ILE A2086 -4.084 -6.716 3.159 1.00 0.39 H new ATOM 0 HA ILE A2086 -6.226 -4.838 3.869 1.00 0.40 H new ATOM 0 HB ILE A2086 -5.778 -4.335 1.558 1.00 0.47 H new ATOM 0 HG12 ILE A2086 -8.188 -4.725 2.485 1.00 0.56 H new ATOM 0 HG13 ILE A2086 -7.942 -4.439 0.774 1.00 0.56 H new ATOM 0 HG21 ILE A2086 -5.939 -6.044 -0.220 1.00 0.57 H new ATOM 0 HG22 ILE A2086 -4.589 -6.359 0.895 1.00 0.57 H new ATOM 0 HG23 ILE A2086 -6.089 -7.307 1.024 1.00 0.57 H new ATOM 0 HD11 ILE A2086 -9.560 -6.234 1.139 1.00 1.18 H new ATOM 0 HD12 ILE A2086 -8.104 -6.863 0.332 1.00 1.18 H new ATOM 0 HD13 ILE A2086 -8.353 -7.153 2.070 1.00 1.18 H new ATOM 496 N VAL A2087 -7.647 -6.817 4.443 1.00 0.49 N ATOM 497 CA VAL A2087 -8.483 -7.954 4.786 1.00 0.59 C ATOM 498 C VAL A2087 -9.911 -7.707 4.301 1.00 0.58 C ATOM 499 O VAL A2087 -10.354 -6.554 4.224 1.00 0.53 O ATOM 500 CB VAL A2087 -8.474 -8.256 6.305 1.00 0.73 C ATOM 501 CG1 VAL A2087 -7.093 -8.705 6.756 1.00 0.78 C ATOM 502 CG2 VAL A2087 -8.929 -7.049 7.106 1.00 0.80 C ATOM 0 H VAL A2087 -7.947 -5.932 4.852 1.00 0.49 H new ATOM 0 HA VAL A2087 -8.070 -8.830 4.286 1.00 0.59 H new ATOM 0 HB VAL A2087 -9.178 -9.068 6.488 1.00 0.73 H new ATOM 0 HG11 VAL A2087 -7.109 -8.912 7.826 1.00 0.78 H new ATOM 0 HG12 VAL A2087 -6.810 -9.608 6.216 1.00 0.78 H new ATOM 0 HG13 VAL A2087 -6.369 -7.917 6.550 1.00 0.78 H new ATOM 0 HG21 VAL A2087 -8.913 -7.290 8.169 1.00 0.80 H new ATOM 0 HG22 VAL A2087 -8.259 -6.211 6.914 1.00 0.80 H new ATOM 0 HG23 VAL A2087 -9.943 -6.778 6.811 1.00 0.80 H new ATOM 512 N PRO A2088 -10.646 -8.790 3.966 1.00 0.66 N ATOM 513 CA PRO A2088 -11.959 -8.713 3.291 1.00 0.68 C ATOM 514 C PRO A2088 -13.039 -7.993 4.100 1.00 0.66 C ATOM 515 O PRO A2088 -14.184 -7.891 3.656 1.00 0.69 O ATOM 516 CB PRO A2088 -12.352 -10.181 3.083 1.00 0.81 C ATOM 517 CG PRO A2088 -11.084 -10.948 3.221 1.00 0.97 C ATOM 518 CD PRO A2088 -10.258 -10.189 4.216 1.00 0.78 C ATOM 0 HA PRO A2088 -11.879 -8.131 2.373 1.00 0.68 H new ATOM 0 HB2 PRO A2088 -13.088 -10.500 3.821 1.00 0.81 H new ATOM 0 HB3 PRO A2088 -12.799 -10.333 2.101 1.00 0.81 H new ATOM 0 HG2 PRO A2088 -11.276 -11.964 3.566 1.00 0.97 H new ATOM 0 HG3 PRO A2088 -10.569 -11.028 2.264 1.00 0.97 H new ATOM 0 HD2 PRO A2088 -10.478 -10.493 5.239 1.00 0.78 H new ATOM 0 HD3 PRO A2088 -9.191 -10.347 4.059 1.00 0.78 H new ATOM 526 N ASP A2089 -12.687 -7.513 5.287 1.00 0.67 N ATOM 527 CA ASP A2089 -13.594 -6.697 6.087 1.00 0.73 C ATOM 528 C ASP A2089 -13.812 -5.352 5.411 1.00 0.66 C ATOM 529 O ASP A2089 -14.781 -4.646 5.699 1.00 0.73 O ATOM 530 CB ASP A2089 -13.030 -6.471 7.491 1.00 0.85 C ATOM 531 CG ASP A2089 -12.961 -7.740 8.308 1.00 1.59 C ATOM 532 OD1 ASP A2089 -12.066 -8.568 8.050 1.00 2.29 O ATOM 533 OD2 ASP A2089 -13.794 -7.911 9.222 1.00 2.26 O ATOM 0 H ASP A2089 -11.777 -7.675 5.718 1.00 0.67 H new ATOM 0 HA ASP A2089 -14.543 -7.227 6.171 1.00 0.73 H new ATOM 0 HB2 ASP A2089 -12.031 -6.042 7.411 1.00 0.85 H new ATOM 0 HB3 ASP A2089 -13.650 -5.742 8.013 1.00 0.85 H new ATOM 538 N GLY A2090 -12.901 -5.012 4.508 1.00 0.59 N ATOM 539 CA GLY A2090 -12.978 -3.751 3.806 1.00 0.63 C ATOM 540 C GLY A2090 -12.014 -2.736 4.371 1.00 0.70 C ATOM 541 O GLY A2090 -12.080 -1.551 4.045 1.00 0.83 O ATOM 0 H GLY A2090 -12.105 -5.595 4.250 1.00 0.59 H new ATOM 0 HA2 GLY A2090 -12.762 -3.909 2.749 1.00 0.63 H new ATOM 0 HA3 GLY A2090 -13.994 -3.362 3.868 1.00 0.63 H new ATOM 545 N THR A2091 -11.109 -3.202 5.215 1.00 0.70 N ATOM 546 CA THR A2091 -10.143 -2.324 5.847 1.00 0.79 C ATOM 547 C THR A2091 -8.749 -2.575 5.285 1.00 0.60 C ATOM 548 O THR A2091 -8.336 -3.725 5.088 1.00 0.59 O ATOM 549 CB THR A2091 -10.142 -2.484 7.385 1.00 1.05 C ATOM 550 OG1 THR A2091 -9.146 -1.638 7.976 1.00 1.51 O ATOM 551 CG2 THR A2091 -9.892 -3.926 7.793 1.00 0.86 C ATOM 0 H THR A2091 -11.024 -4.184 5.478 1.00 0.70 H new ATOM 0 HA THR A2091 -10.436 -1.298 5.624 1.00 0.79 H new ATOM 0 HB THR A2091 -11.128 -2.190 7.746 1.00 1.05 H new ATOM 0 HG1 THR A2091 -9.158 -1.749 8.950 1.00 1.51 H new ATOM 0 HG21 THR A2091 -9.898 -4.003 8.880 1.00 0.86 H new ATOM 0 HG22 THR A2091 -10.675 -4.562 7.380 1.00 0.86 H new ATOM 0 HG23 THR A2091 -8.923 -4.249 7.412 1.00 0.86 H new ATOM 559 N VAL A2092 -8.039 -1.495 5.006 1.00 0.60 N ATOM 560 CA VAL A2092 -6.724 -1.576 4.397 1.00 0.54 C ATOM 561 C VAL A2092 -5.757 -0.666 5.137 1.00 0.55 C ATOM 562 O VAL A2092 -6.158 0.367 5.677 1.00 0.78 O ATOM 563 CB VAL A2092 -6.762 -1.152 2.911 1.00 0.79 C ATOM 564 CG1 VAL A2092 -5.508 -1.611 2.183 1.00 1.02 C ATOM 565 CG2 VAL A2092 -8.010 -1.677 2.222 1.00 1.18 C ATOM 0 H VAL A2092 -8.356 -0.544 5.194 1.00 0.60 H new ATOM 0 HA VAL A2092 -6.395 -2.613 4.458 1.00 0.54 H new ATOM 0 HB VAL A2092 -6.795 -0.063 2.877 1.00 0.79 H new ATOM 0 HG11 VAL A2092 -5.559 -1.301 1.139 1.00 1.02 H new ATOM 0 HG12 VAL A2092 -4.631 -1.165 2.652 1.00 1.02 H new ATOM 0 HG13 VAL A2092 -5.434 -2.697 2.235 1.00 1.02 H new ATOM 0 HG21 VAL A2092 -8.009 -1.363 1.178 1.00 1.18 H new ATOM 0 HG22 VAL A2092 -8.023 -2.766 2.273 1.00 1.18 H new ATOM 0 HG23 VAL A2092 -8.895 -1.280 2.719 1.00 1.18 H new ATOM 575 N THR A2093 -4.493 -1.043 5.167 1.00 0.47 N ATOM 576 CA THR A2093 -3.480 -0.224 5.800 1.00 0.53 C ATOM 577 C THR A2093 -2.205 -0.176 4.957 1.00 0.44 C ATOM 578 O THR A2093 -1.599 -1.210 4.655 1.00 0.41 O ATOM 579 CB THR A2093 -3.172 -0.719 7.234 1.00 0.71 C ATOM 580 OG1 THR A2093 -2.081 0.018 7.798 1.00 1.46 O ATOM 581 CG2 THR A2093 -2.853 -2.207 7.252 1.00 0.71 C ATOM 0 H THR A2093 -4.144 -1.911 4.760 1.00 0.47 H new ATOM 0 HA THR A2093 -3.875 0.789 5.873 1.00 0.53 H new ATOM 0 HB THR A2093 -4.065 -0.553 7.836 1.00 0.71 H new ATOM 0 HG1 THR A2093 -1.234 -0.351 7.472 1.00 1.46 H new ATOM 0 HG21 THR A2093 -2.642 -2.521 8.274 1.00 0.71 H new ATOM 0 HG22 THR A2093 -3.706 -2.767 6.869 1.00 0.71 H new ATOM 0 HG23 THR A2093 -1.982 -2.400 6.626 1.00 0.71 H new ATOM 589 N PHE A2094 -1.829 1.028 4.541 1.00 0.46 N ATOM 590 CA PHE A2094 -0.577 1.236 3.828 1.00 0.42 C ATOM 591 C PHE A2094 0.495 1.627 4.844 1.00 0.43 C ATOM 592 O PHE A2094 0.584 2.790 5.243 1.00 0.52 O ATOM 593 CB PHE A2094 -0.737 2.338 2.746 1.00 0.51 C ATOM 594 CG PHE A2094 -1.682 1.979 1.612 1.00 0.47 C ATOM 595 CD1 PHE A2094 -2.065 2.920 0.642 1.00 1.21 C ATOM 596 CD2 PHE A2094 -2.184 0.690 1.503 1.00 1.26 C ATOM 597 CE1 PHE A2094 -2.912 2.562 -0.386 1.00 1.23 C ATOM 598 CE2 PHE A2094 -3.033 0.343 0.477 1.00 1.27 C ATOM 599 CZ PHE A2094 -3.396 1.277 -0.468 1.00 0.55 C ATOM 0 H PHE A2094 -2.376 1.876 4.686 1.00 0.46 H new ATOM 0 HA PHE A2094 -0.285 0.318 3.317 1.00 0.42 H new ATOM 0 HB2 PHE A2094 -1.095 3.249 3.225 1.00 0.51 H new ATOM 0 HB3 PHE A2094 0.244 2.562 2.327 1.00 0.51 H new ATOM 0 HD1 PHE A2094 -1.693 3.932 0.702 1.00 1.21 H new ATOM 0 HD2 PHE A2094 -1.904 -0.053 2.235 1.00 1.26 H new ATOM 0 HE1 PHE A2094 -3.196 3.293 -1.129 1.00 1.23 H new ATOM 0 HE2 PHE A2094 -3.416 -0.665 0.413 1.00 1.27 H new ATOM 0 HZ PHE A2094 -4.061 1.001 -1.273 1.00 0.55 H new ATOM 609 N THR A2095 1.294 0.655 5.284 1.00 0.37 N ATOM 610 CA THR A2095 2.296 0.920 6.307 1.00 0.39 C ATOM 611 C THR A2095 3.709 0.614 5.806 1.00 0.37 C ATOM 612 O THR A2095 4.210 -0.502 5.968 1.00 0.37 O ATOM 613 CB THR A2095 2.013 0.090 7.576 1.00 0.47 C ATOM 614 OG1 THR A2095 0.637 0.236 7.956 1.00 0.58 O ATOM 615 CG2 THR A2095 2.905 0.534 8.727 1.00 0.58 C ATOM 0 H THR A2095 1.266 -0.309 4.952 1.00 0.37 H new ATOM 0 HA THR A2095 2.236 1.982 6.546 1.00 0.39 H new ATOM 0 HB THR A2095 2.226 -0.956 7.354 1.00 0.47 H new ATOM 0 HG1 THR A2095 0.462 -0.294 8.761 1.00 0.58 H new ATOM 0 HG21 THR A2095 2.686 -0.067 9.610 1.00 0.58 H new ATOM 0 HG22 THR A2095 3.951 0.402 8.449 1.00 0.58 H new ATOM 0 HG23 THR A2095 2.718 1.585 8.948 1.00 0.58 H new ATOM 623 N PRO A2096 4.359 1.604 5.177 1.00 0.50 N ATOM 624 CA PRO A2096 5.745 1.501 4.745 1.00 0.61 C ATOM 625 C PRO A2096 6.726 2.010 5.797 1.00 0.69 C ATOM 626 O PRO A2096 6.363 2.796 6.679 1.00 0.81 O ATOM 627 CB PRO A2096 5.765 2.418 3.531 1.00 0.88 C ATOM 628 CG PRO A2096 4.812 3.512 3.880 1.00 0.98 C ATOM 629 CD PRO A2096 3.781 2.911 4.807 1.00 0.69 C ATOM 0 HA PRO A2096 6.048 0.472 4.552 1.00 0.61 H new ATOM 0 HB2 PRO A2096 6.766 2.807 3.343 1.00 0.88 H new ATOM 0 HB3 PRO A2096 5.453 1.891 2.629 1.00 0.88 H new ATOM 0 HG2 PRO A2096 5.332 4.339 4.364 1.00 0.98 H new ATOM 0 HG3 PRO A2096 4.339 3.914 2.984 1.00 0.98 H new ATOM 0 HD2 PRO A2096 3.617 3.538 5.683 1.00 0.69 H new ATOM 0 HD3 PRO A2096 2.817 2.796 4.312 1.00 0.69 H new ATOM 637 N ASP A2097 7.961 1.551 5.709 1.00 0.89 N ATOM 638 CA ASP A2097 9.044 2.112 6.500 1.00 1.14 C ATOM 639 C ASP A2097 9.302 3.557 6.092 1.00 1.37 C ATOM 640 O ASP A2097 9.316 3.888 4.905 1.00 1.39 O ATOM 641 CB ASP A2097 10.316 1.285 6.328 1.00 1.24 C ATOM 642 CG ASP A2097 11.567 2.130 6.482 1.00 2.06 C ATOM 643 OD1 ASP A2097 12.069 2.258 7.620 1.00 2.61 O ATOM 644 OD2 ASP A2097 12.042 2.688 5.473 1.00 2.72 O ATOM 0 H ASP A2097 8.241 0.787 5.094 1.00 0.89 H new ATOM 0 HA ASP A2097 8.752 2.088 7.550 1.00 1.14 H new ATOM 0 HB2 ASP A2097 10.328 0.481 7.064 1.00 1.24 H new ATOM 0 HB3 ASP A2097 10.314 0.816 5.344 1.00 1.24 H new ATOM 649 N LYS A2098 9.492 4.414 7.084 1.00 1.89 N ATOM 650 CA LYS A2098 9.689 5.834 6.840 1.00 2.37 C ATOM 651 C LYS A2098 11.173 6.189 6.702 1.00 2.32 C ATOM 652 O LYS A2098 11.530 7.093 5.951 1.00 2.66 O ATOM 653 CB LYS A2098 9.062 6.647 7.978 1.00 3.03 C ATOM 654 CG LYS A2098 8.989 8.146 7.710 1.00 3.48 C ATOM 655 CD LYS A2098 8.023 8.467 6.580 1.00 4.03 C ATOM 656 CE LYS A2098 7.918 9.965 6.334 1.00 4.43 C ATOM 657 NZ LYS A2098 7.420 10.696 7.531 1.00 4.81 N ATOM 0 H LYS A2098 9.514 4.149 8.069 1.00 1.89 H new ATOM 0 HA LYS A2098 9.201 6.080 5.897 1.00 2.37 H new ATOM 0 HB2 LYS A2098 8.055 6.273 8.164 1.00 3.03 H new ATOM 0 HB3 LYS A2098 9.637 6.480 8.888 1.00 3.03 H new ATOM 0 HG2 LYS A2098 8.674 8.663 8.616 1.00 3.48 H new ATOM 0 HG3 LYS A2098 9.981 8.520 7.458 1.00 3.48 H new ATOM 0 HD2 LYS A2098 8.354 7.971 5.667 1.00 4.03 H new ATOM 0 HD3 LYS A2098 7.037 8.068 6.820 1.00 4.03 H new ATOM 0 HE2 LYS A2098 8.896 10.355 6.053 1.00 4.43 H new ATOM 0 HE3 LYS A2098 7.248 10.148 5.494 1.00 4.43 H new ATOM 0 HZ1 LYS A2098 7.139 11.659 7.258 1.00 4.81 H new ATOM 0 HZ2 LYS A2098 6.599 10.195 7.927 1.00 4.81 H new ATOM 0 HZ3 LYS A2098 8.173 10.745 8.246 1.00 4.81 H new ATOM 671 N GLN A2099 12.039 5.455 7.392 1.00 2.03 N ATOM 672 CA GLN A2099 13.419 5.903 7.584 1.00 2.09 C ATOM 673 C GLN A2099 14.445 5.111 6.772 1.00 1.67 C ATOM 674 O GLN A2099 15.314 5.705 6.129 1.00 1.81 O ATOM 675 CB GLN A2099 13.783 5.818 9.062 1.00 2.41 C ATOM 676 CG GLN A2099 12.918 6.690 9.954 1.00 2.99 C ATOM 677 CD GLN A2099 13.212 6.481 11.421 1.00 3.86 C ATOM 678 OE1 GLN A2099 14.066 7.153 11.997 1.00 4.40 O ATOM 679 NE2 GLN A2099 12.508 5.547 12.035 1.00 4.42 N ATOM 0 H GLN A2099 11.817 4.558 7.824 1.00 2.03 H new ATOM 0 HA GLN A2099 13.458 6.931 7.225 1.00 2.09 H new ATOM 0 HB2 GLN A2099 13.698 4.782 9.389 1.00 2.41 H new ATOM 0 HB3 GLN A2099 14.826 6.107 9.187 1.00 2.41 H new ATOM 0 HG2 GLN A2099 13.078 7.738 9.699 1.00 2.99 H new ATOM 0 HG3 GLN A2099 11.867 6.473 9.762 1.00 2.99 H new ATOM 0 HE21 GLN A2099 11.809 5.013 11.518 1.00 4.42 H new ATOM 0 HE22 GLN A2099 12.663 5.360 13.026 1.00 4.42 H new ATOM 688 N PHE A2100 14.346 3.789 6.806 1.00 1.40 N ATOM 689 CA PHE A2100 15.391 2.913 6.274 1.00 1.20 C ATOM 690 C PHE A2100 15.700 3.205 4.800 1.00 1.31 C ATOM 691 O PHE A2100 14.820 3.192 3.939 1.00 1.72 O ATOM 692 CB PHE A2100 14.999 1.441 6.520 1.00 1.32 C ATOM 693 CG PHE A2100 15.071 0.519 5.329 1.00 1.46 C ATOM 694 CD1 PHE A2100 13.938 0.262 4.573 1.00 1.93 C ATOM 695 CD2 PHE A2100 16.257 -0.111 4.985 1.00 2.04 C ATOM 696 CE1 PHE A2100 13.984 -0.599 3.497 1.00 2.23 C ATOM 697 CE2 PHE A2100 16.310 -0.972 3.903 1.00 2.36 C ATOM 698 CZ PHE A2100 15.171 -1.216 3.159 1.00 2.18 C ATOM 0 H PHE A2100 13.547 3.292 7.199 1.00 1.40 H new ATOM 0 HA PHE A2100 16.321 3.113 6.805 1.00 1.20 H new ATOM 0 HB2 PHE A2100 15.646 1.041 7.301 1.00 1.32 H new ATOM 0 HB3 PHE A2100 13.981 1.419 6.908 1.00 1.32 H new ATOM 0 HD1 PHE A2100 13.006 0.743 4.830 1.00 1.93 H new ATOM 0 HD2 PHE A2100 17.148 0.072 5.567 1.00 2.04 H new ATOM 0 HE1 PHE A2100 13.092 -0.790 2.919 1.00 2.23 H new ATOM 0 HE2 PHE A2100 17.241 -1.453 3.640 1.00 2.36 H new ATOM 0 HZ PHE A2100 15.210 -1.888 2.315 1.00 2.18 H new ATOM 708 N VAL A2101 16.969 3.507 4.534 1.00 1.55 N ATOM 709 CA VAL A2101 17.431 3.794 3.184 1.00 1.92 C ATOM 710 C VAL A2101 17.677 2.498 2.421 1.00 2.31 C ATOM 711 O VAL A2101 18.141 1.508 2.984 1.00 2.68 O ATOM 712 CB VAL A2101 18.699 4.681 3.200 1.00 2.35 C ATOM 713 CG1 VAL A2101 19.416 4.676 1.855 1.00 2.67 C ATOM 714 CG2 VAL A2101 18.322 6.103 3.577 1.00 2.45 C ATOM 0 H VAL A2101 17.699 3.559 5.245 1.00 1.55 H new ATOM 0 HA VAL A2101 16.650 4.353 2.669 1.00 1.92 H new ATOM 0 HB VAL A2101 19.385 4.268 3.940 1.00 2.35 H new ATOM 0 HG11 VAL A2101 20.300 5.311 1.912 1.00 2.67 H new ATOM 0 HG12 VAL A2101 19.716 3.658 1.606 1.00 2.67 H new ATOM 0 HG13 VAL A2101 18.745 5.055 1.084 1.00 2.67 H new ATOM 0 HG21 VAL A2101 19.216 6.726 3.588 1.00 2.45 H new ATOM 0 HG22 VAL A2101 17.614 6.497 2.848 1.00 2.45 H new ATOM 0 HG23 VAL A2101 17.865 6.108 4.566 1.00 2.45 H new ATOM 724 N GLY A2102 17.364 2.525 1.138 1.00 2.55 N ATOM 725 CA GLY A2102 17.323 1.322 0.343 1.00 3.15 C ATOM 726 C GLY A2102 15.919 1.120 -0.160 1.00 3.22 C ATOM 727 O GLY A2102 15.688 0.965 -1.359 1.00 3.84 O ATOM 0 H GLY A2102 17.134 3.377 0.626 1.00 2.55 H new ATOM 0 HA2 GLY A2102 18.016 1.399 -0.494 1.00 3.15 H new ATOM 0 HA3 GLY A2102 17.637 0.465 0.939 1.00 3.15 H new ATOM 731 N LYS A2103 14.991 1.151 0.791 1.00 2.91 N ATOM 732 CA LYS A2103 13.561 1.244 0.525 1.00 3.06 C ATOM 733 C LYS A2103 12.968 -0.010 -0.122 1.00 2.39 C ATOM 734 O LYS A2103 13.686 -0.842 -0.678 1.00 2.33 O ATOM 735 CB LYS A2103 13.255 2.512 -0.283 1.00 3.80 C ATOM 736 CG LYS A2103 13.349 3.785 0.550 1.00 4.59 C ATOM 737 CD LYS A2103 12.442 3.722 1.777 1.00 5.33 C ATOM 738 CE LYS A2103 12.587 4.953 2.653 1.00 6.21 C ATOM 739 NZ LYS A2103 11.819 4.823 3.917 1.00 6.78 N ATOM 0 H LYS A2103 15.216 1.111 1.785 1.00 2.91 H new ATOM 0 HA LYS A2103 13.064 1.316 1.492 1.00 3.06 H new ATOM 0 HB2 LYS A2103 13.950 2.580 -1.120 1.00 3.80 H new ATOM 0 HB3 LYS A2103 12.253 2.434 -0.706 1.00 3.80 H new ATOM 0 HG2 LYS A2103 14.381 3.938 0.867 1.00 4.59 H new ATOM 0 HG3 LYS A2103 13.073 4.643 -0.063 1.00 4.59 H new ATOM 0 HD2 LYS A2103 11.405 3.625 1.457 1.00 5.33 H new ATOM 0 HD3 LYS A2103 12.681 2.832 2.359 1.00 5.33 H new ATOM 0 HE2 LYS A2103 13.640 5.114 2.882 1.00 6.21 H new ATOM 0 HE3 LYS A2103 12.242 5.831 2.107 1.00 6.21 H new ATOM 0 HZ1 LYS A2103 11.744 5.754 4.375 1.00 6.78 H new ATOM 0 HZ2 LYS A2103 10.866 4.462 3.709 1.00 6.78 H new ATOM 0 HZ3 LYS A2103 12.308 4.162 4.554 1.00 6.78 H new ATOM 753 N PRO A2104 11.634 -0.161 0.004 1.00 2.06 N ATOM 754 CA PRO A2104 10.888 -1.345 -0.441 1.00 1.50 C ATOM 755 C PRO A2104 11.245 -1.885 -1.824 1.00 1.35 C ATOM 756 O PRO A2104 11.566 -1.142 -2.752 1.00 1.62 O ATOM 757 CB PRO A2104 9.447 -0.843 -0.454 1.00 1.62 C ATOM 758 CG PRO A2104 9.395 0.140 0.654 1.00 2.21 C ATOM 759 CD PRO A2104 10.728 0.825 0.645 1.00 2.43 C ATOM 0 HA PRO A2104 11.106 -2.186 0.217 1.00 1.50 H new ATOM 0 HB2 PRO A2104 9.195 -0.381 -1.408 1.00 1.62 H new ATOM 0 HB3 PRO A2104 8.740 -1.658 -0.297 1.00 1.62 H new ATOM 0 HG2 PRO A2104 8.585 0.855 0.507 1.00 2.21 H new ATOM 0 HG3 PRO A2104 9.214 -0.354 1.609 1.00 2.21 H new ATOM 0 HD2 PRO A2104 10.693 1.759 0.084 1.00 2.43 H new ATOM 0 HD3 PRO A2104 11.057 1.072 1.654 1.00 2.43 H new ATOM 767 N ASP A2105 11.195 -3.210 -1.924 1.00 1.04 N ATOM 768 CA ASP A2105 11.176 -3.896 -3.202 1.00 0.98 C ATOM 769 C ASP A2105 9.872 -3.545 -3.905 1.00 0.79 C ATOM 770 O ASP A2105 8.806 -3.621 -3.283 1.00 0.78 O ATOM 771 CB ASP A2105 11.262 -5.412 -2.989 1.00 1.06 C ATOM 772 CG ASP A2105 11.323 -6.189 -4.290 1.00 1.66 C ATOM 773 OD1 ASP A2105 12.422 -6.303 -4.869 1.00 2.16 O ATOM 774 OD2 ASP A2105 10.275 -6.701 -4.734 1.00 2.33 O ATOM 0 H ASP A2105 11.167 -3.834 -1.118 1.00 1.04 H new ATOM 0 HA ASP A2105 12.029 -3.587 -3.807 1.00 0.98 H new ATOM 0 HB2 ASP A2105 12.146 -5.640 -2.394 1.00 1.06 H new ATOM 0 HB3 ASP A2105 10.397 -5.743 -2.415 1.00 1.06 H new ATOM 779 N PRO A2106 9.952 -3.162 -5.195 1.00 0.77 N ATOM 780 CA PRO A2106 8.827 -2.605 -5.964 1.00 0.73 C ATOM 781 C PRO A2106 7.520 -3.384 -5.833 1.00 0.61 C ATOM 782 O PRO A2106 7.401 -4.523 -6.291 1.00 0.74 O ATOM 783 CB PRO A2106 9.320 -2.633 -7.418 1.00 0.87 C ATOM 784 CG PRO A2106 10.596 -3.405 -7.401 1.00 1.03 C ATOM 785 CD PRO A2106 11.160 -3.240 -6.023 1.00 0.93 C ATOM 0 HA PRO A2106 8.576 -1.611 -5.593 1.00 0.73 H new ATOM 0 HB2 PRO A2106 8.586 -3.106 -8.070 1.00 0.87 H new ATOM 0 HB3 PRO A2106 9.479 -1.623 -7.796 1.00 0.87 H new ATOM 0 HG2 PRO A2106 10.419 -4.457 -7.627 1.00 1.03 H new ATOM 0 HG3 PRO A2106 11.289 -3.030 -8.154 1.00 1.03 H new ATOM 0 HD2 PRO A2106 11.793 -4.081 -5.740 1.00 0.93 H new ATOM 0 HD3 PRO A2106 11.769 -2.340 -5.939 1.00 0.93 H new ATOM 793 N VAL A2107 6.542 -2.749 -5.204 1.00 0.48 N ATOM 794 CA VAL A2107 5.203 -3.297 -5.090 1.00 0.37 C ATOM 795 C VAL A2107 4.177 -2.166 -5.021 1.00 0.35 C ATOM 796 O VAL A2107 4.275 -1.265 -4.185 1.00 0.60 O ATOM 797 CB VAL A2107 5.061 -4.231 -3.860 1.00 0.41 C ATOM 798 CG1 VAL A2107 5.474 -3.524 -2.578 1.00 0.54 C ATOM 799 CG2 VAL A2107 3.639 -4.766 -3.744 1.00 0.46 C ATOM 0 H VAL A2107 6.657 -1.839 -4.759 1.00 0.48 H new ATOM 0 HA VAL A2107 5.016 -3.900 -5.979 1.00 0.37 H new ATOM 0 HB VAL A2107 5.734 -5.076 -4.008 1.00 0.41 H new ATOM 0 HG11 VAL A2107 5.363 -4.206 -1.735 1.00 0.54 H new ATOM 0 HG12 VAL A2107 6.515 -3.209 -2.655 1.00 0.54 H new ATOM 0 HG13 VAL A2107 4.841 -2.650 -2.424 1.00 0.54 H new ATOM 0 HG21 VAL A2107 3.566 -5.418 -2.874 1.00 0.46 H new ATOM 0 HG22 VAL A2107 2.945 -3.933 -3.633 1.00 0.46 H new ATOM 0 HG23 VAL A2107 3.388 -5.330 -4.642 1.00 0.46 H new ATOM 809 N THR A2108 3.221 -2.191 -5.933 1.00 0.32 N ATOM 810 CA THR A2108 2.177 -1.186 -5.973 1.00 0.30 C ATOM 811 C THR A2108 0.894 -1.720 -5.347 1.00 0.30 C ATOM 812 O THR A2108 0.480 -2.847 -5.617 1.00 0.33 O ATOM 813 CB THR A2108 1.899 -0.731 -7.421 1.00 0.33 C ATOM 814 OG1 THR A2108 3.115 -0.267 -8.024 1.00 0.37 O ATOM 815 CG2 THR A2108 0.854 0.379 -7.462 1.00 0.35 C ATOM 0 H THR A2108 3.148 -2.903 -6.660 1.00 0.32 H new ATOM 0 HA THR A2108 2.523 -0.327 -5.399 1.00 0.30 H new ATOM 0 HB THR A2108 1.512 -1.586 -7.976 1.00 0.33 H new ATOM 0 HG1 THR A2108 2.935 0.020 -8.944 1.00 0.37 H new ATOM 0 HG21 THR A2108 0.681 0.677 -8.496 1.00 0.35 H new ATOM 0 HG22 THR A2108 -0.078 0.018 -7.027 1.00 0.35 H new ATOM 0 HG23 THR A2108 1.212 1.237 -6.892 1.00 0.35 H new ATOM 823 N VAL A2109 0.280 -0.916 -4.497 1.00 0.38 N ATOM 824 CA VAL A2109 -0.982 -1.284 -3.874 1.00 0.46 C ATOM 825 C VAL A2109 -2.101 -0.411 -4.437 1.00 0.52 C ATOM 826 O VAL A2109 -1.859 0.745 -4.780 1.00 0.61 O ATOM 827 CB VAL A2109 -0.917 -1.129 -2.342 1.00 0.60 C ATOM 828 CG1 VAL A2109 -2.085 -1.848 -1.689 1.00 0.76 C ATOM 829 CG2 VAL A2109 0.406 -1.650 -1.797 1.00 0.61 C ATOM 0 H VAL A2109 0.635 -0.001 -4.221 1.00 0.38 H new ATOM 0 HA VAL A2109 -1.182 -2.332 -4.097 1.00 0.46 H new ATOM 0 HB VAL A2109 -0.984 -0.068 -2.103 1.00 0.60 H new ATOM 0 HG11 VAL A2109 -2.026 -1.730 -0.607 1.00 0.76 H new ATOM 0 HG12 VAL A2109 -3.022 -1.423 -2.050 1.00 0.76 H new ATOM 0 HG13 VAL A2109 -2.047 -2.908 -1.941 1.00 0.76 H new ATOM 0 HG21 VAL A2109 0.426 -1.529 -0.714 1.00 0.61 H new ATOM 0 HG22 VAL A2109 0.512 -2.706 -2.046 1.00 0.61 H new ATOM 0 HG23 VAL A2109 1.228 -1.089 -2.240 1.00 0.61 H new ATOM 839 N LYS A2110 -3.315 -0.951 -4.536 1.00 0.53 N ATOM 840 CA LYS A2110 -4.412 -0.237 -5.180 1.00 0.63 C ATOM 841 C LYS A2110 -5.753 -0.498 -4.491 1.00 0.70 C ATOM 842 O LYS A2110 -6.318 -1.585 -4.599 1.00 0.99 O ATOM 843 CB LYS A2110 -4.533 -0.651 -6.649 1.00 0.67 C ATOM 844 CG LYS A2110 -5.666 0.070 -7.366 1.00 0.85 C ATOM 845 CD LYS A2110 -6.303 -0.784 -8.449 1.00 1.03 C ATOM 846 CE LYS A2110 -6.968 -2.030 -7.873 1.00 1.11 C ATOM 847 NZ LYS A2110 -7.655 -2.832 -8.918 1.00 1.63 N ATOM 0 H LYS A2110 -3.561 -1.875 -4.180 1.00 0.53 H new ATOM 0 HA LYS A2110 -4.180 0.825 -5.103 1.00 0.63 H new ATOM 0 HB2 LYS A2110 -3.593 -0.443 -7.160 1.00 0.67 H new ATOM 0 HB3 LYS A2110 -4.697 -1.727 -6.708 1.00 0.67 H new ATOM 0 HG2 LYS A2110 -6.426 0.358 -6.640 1.00 0.85 H new ATOM 0 HG3 LYS A2110 -5.284 0.990 -7.810 1.00 0.85 H new ATOM 0 HD2 LYS A2110 -7.044 -0.194 -8.988 1.00 1.03 H new ATOM 0 HD3 LYS A2110 -5.543 -1.080 -9.172 1.00 1.03 H new ATOM 0 HE2 LYS A2110 -6.216 -2.646 -7.380 1.00 1.11 H new ATOM 0 HE3 LYS A2110 -7.689 -1.736 -7.110 1.00 1.11 H new ATOM 0 HZ1 LYS A2110 -8.477 -3.313 -8.501 1.00 1.63 H new ATOM 0 HZ2 LYS A2110 -7.973 -2.205 -9.684 1.00 1.63 H new ATOM 0 HZ3 LYS A2110 -6.997 -3.540 -9.301 1.00 1.63 H new ATOM 861 N ARG A2111 -6.277 0.504 -3.816 1.00 0.52 N ATOM 862 CA ARG A2111 -7.605 0.406 -3.232 1.00 0.54 C ATOM 863 C ARG A2111 -8.407 1.651 -3.602 1.00 0.44 C ATOM 864 O ARG A2111 -7.881 2.759 -3.565 1.00 0.47 O ATOM 865 CB ARG A2111 -7.509 0.246 -1.707 1.00 0.62 C ATOM 866 CG ARG A2111 -6.867 1.436 -1.027 1.00 0.62 C ATOM 867 CD ARG A2111 -6.710 1.258 0.474 1.00 0.87 C ATOM 868 NE ARG A2111 -6.504 2.546 1.143 1.00 1.86 N ATOM 869 CZ ARG A2111 -5.784 2.733 2.246 1.00 2.47 C ATOM 870 NH1 ARG A2111 -5.121 1.731 2.803 1.00 2.41 N ATOM 871 NH2 ARG A2111 -5.728 3.942 2.785 1.00 3.47 N ATOM 0 H ARG A2111 -5.807 1.395 -3.657 1.00 0.52 H new ATOM 0 HA ARG A2111 -8.114 -0.474 -3.626 1.00 0.54 H new ATOM 0 HB2 ARG A2111 -8.509 0.097 -1.299 1.00 0.62 H new ATOM 0 HB3 ARG A2111 -6.934 -0.651 -1.477 1.00 0.62 H new ATOM 0 HG2 ARG A2111 -5.887 1.613 -1.469 1.00 0.62 H new ATOM 0 HG3 ARG A2111 -7.469 2.324 -1.220 1.00 0.62 H new ATOM 0 HD2 ARG A2111 -7.598 0.773 0.880 1.00 0.87 H new ATOM 0 HD3 ARG A2111 -5.865 0.600 0.678 1.00 0.87 H new ATOM 0 HE ARG A2111 -6.949 3.365 0.729 1.00 1.86 H new ATOM 0 HH11 ARG A2111 -5.158 0.801 2.386 1.00 2.41 H new ATOM 0 HH12 ARG A2111 -4.573 1.890 3.649 1.00 2.41 H new ATOM 0 HH21 ARG A2111 -6.233 4.716 2.354 1.00 3.47 H new ATOM 0 HH22 ARG A2111 -5.180 4.098 3.631 1.00 3.47 H new ATOM 885 N VAL A2112 -9.662 1.476 -3.988 1.00 0.35 N ATOM 886 CA VAL A2112 -10.480 2.620 -4.389 1.00 0.28 C ATOM 887 C VAL A2112 -11.387 3.070 -3.249 1.00 0.25 C ATOM 888 O VAL A2112 -11.847 2.257 -2.450 1.00 0.29 O ATOM 889 CB VAL A2112 -11.333 2.315 -5.643 1.00 0.31 C ATOM 890 CG1 VAL A2112 -10.441 1.983 -6.828 1.00 0.40 C ATOM 891 CG2 VAL A2112 -12.317 1.187 -5.381 1.00 0.32 C ATOM 0 H VAL A2112 -10.133 0.572 -4.033 1.00 0.35 H new ATOM 0 HA VAL A2112 -9.789 3.426 -4.638 1.00 0.28 H new ATOM 0 HB VAL A2112 -11.908 3.210 -5.881 1.00 0.31 H new ATOM 0 HG11 VAL A2112 -11.059 1.771 -7.701 1.00 0.40 H new ATOM 0 HG12 VAL A2112 -9.789 2.830 -7.042 1.00 0.40 H new ATOM 0 HG13 VAL A2112 -9.834 1.109 -6.593 1.00 0.40 H new ATOM 0 HG21 VAL A2112 -12.901 0.997 -6.282 1.00 0.32 H new ATOM 0 HG22 VAL A2112 -11.771 0.285 -5.106 1.00 0.32 H new ATOM 0 HG23 VAL A2112 -12.986 1.469 -4.568 1.00 0.32 H new ATOM 901 N ASP A2113 -11.610 4.373 -3.162 1.00 0.26 N ATOM 902 CA ASP A2113 -12.440 4.939 -2.105 1.00 0.31 C ATOM 903 C ASP A2113 -13.891 5.051 -2.560 1.00 0.33 C ATOM 904 O ASP A2113 -14.261 4.506 -3.600 1.00 0.34 O ATOM 905 CB ASP A2113 -11.915 6.315 -1.674 1.00 0.40 C ATOM 906 CG ASP A2113 -12.247 7.408 -2.667 1.00 0.55 C ATOM 907 OD1 ASP A2113 -11.572 7.500 -3.706 1.00 0.85 O ATOM 908 OD2 ASP A2113 -13.192 8.177 -2.408 1.00 1.46 O ATOM 0 H ASP A2113 -11.228 5.061 -3.811 1.00 0.26 H new ATOM 0 HA ASP A2113 -12.393 4.267 -1.248 1.00 0.31 H new ATOM 0 HB2 ASP A2113 -12.338 6.572 -0.703 1.00 0.40 H new ATOM 0 HB3 ASP A2113 -10.834 6.262 -1.547 1.00 0.40 H new ATOM 913 N LYS A2114 -14.708 5.754 -1.789 1.00 0.40 N ATOM 914 CA LYS A2114 -16.124 5.906 -2.105 1.00 0.46 C ATOM 915 C LYS A2114 -16.330 6.705 -3.395 1.00 0.52 C ATOM 916 O LYS A2114 -17.313 6.504 -4.107 1.00 0.65 O ATOM 917 CB LYS A2114 -16.850 6.561 -0.933 1.00 0.55 C ATOM 918 CG LYS A2114 -16.827 5.700 0.318 1.00 0.58 C ATOM 919 CD LYS A2114 -17.501 6.380 1.491 1.00 0.69 C ATOM 920 CE LYS A2114 -17.547 5.465 2.704 1.00 0.83 C ATOM 921 NZ LYS A2114 -18.408 4.271 2.473 1.00 1.72 N ATOM 0 H LYS A2114 -14.415 6.231 -0.936 1.00 0.40 H new ATOM 0 HA LYS A2114 -16.546 4.915 -2.271 1.00 0.46 H new ATOM 0 HB2 LYS A2114 -16.388 7.524 -0.716 1.00 0.55 H new ATOM 0 HB3 LYS A2114 -17.884 6.759 -1.215 1.00 0.55 H new ATOM 0 HG2 LYS A2114 -17.325 4.752 0.114 1.00 0.58 H new ATOM 0 HG3 LYS A2114 -15.794 5.468 0.579 1.00 0.58 H new ATOM 0 HD2 LYS A2114 -16.964 7.295 1.742 1.00 0.69 H new ATOM 0 HD3 LYS A2114 -18.514 6.671 1.213 1.00 0.69 H new ATOM 0 HE2 LYS A2114 -16.536 5.140 2.951 1.00 0.83 H new ATOM 0 HE3 LYS A2114 -17.922 6.021 3.563 1.00 0.83 H new ATOM 0 HZ1 LYS A2114 -18.479 3.719 3.352 1.00 1.72 H new ATOM 0 HZ2 LYS A2114 -19.357 4.579 2.180 1.00 1.72 H new ATOM 0 HZ3 LYS A2114 -17.990 3.681 1.726 1.00 1.72 H new ATOM 935 N ASN A2115 -15.398 7.600 -3.702 1.00 0.52 N ATOM 936 CA ASN A2115 -15.429 8.326 -4.972 1.00 0.60 C ATOM 937 C ASN A2115 -15.006 7.407 -6.110 1.00 0.54 C ATOM 938 O ASN A2115 -15.310 7.656 -7.277 1.00 0.70 O ATOM 939 CB ASN A2115 -14.501 9.544 -4.939 1.00 0.72 C ATOM 940 CG ASN A2115 -14.956 10.607 -3.964 1.00 0.99 C ATOM 941 OD1 ASN A2115 -15.717 11.507 -4.318 1.00 1.84 O ATOM 942 ND2 ASN A2115 -14.488 10.517 -2.732 1.00 1.11 N ATOM 0 H ASN A2115 -14.615 7.841 -3.095 1.00 0.52 H new ATOM 0 HA ASN A2115 -16.451 8.670 -5.133 1.00 0.60 H new ATOM 0 HB2 ASN A2115 -13.495 9.220 -4.672 1.00 0.72 H new ATOM 0 HB3 ASN A2115 -14.442 9.976 -5.938 1.00 0.72 H new ATOM 0 HD21 ASN A2115 -14.756 11.210 -2.033 1.00 1.11 H new ATOM 0 HD22 ASN A2115 -13.859 9.755 -2.480 1.00 1.11 H new ATOM 949 N GLY A2116 -14.305 6.340 -5.756 1.00 0.38 N ATOM 950 CA GLY A2116 -13.812 5.408 -6.746 1.00 0.39 C ATOM 951 C GLY A2116 -12.394 5.726 -7.161 1.00 0.38 C ATOM 952 O GLY A2116 -11.875 5.154 -8.117 1.00 0.44 O ATOM 0 H GLY A2116 -14.068 6.103 -4.793 1.00 0.38 H new ATOM 0 HA2 GLY A2116 -13.855 4.395 -6.345 1.00 0.39 H new ATOM 0 HA3 GLY A2116 -14.461 5.431 -7.622 1.00 0.39 H new ATOM 956 N THR A2117 -11.768 6.641 -6.438 1.00 0.36 N ATOM 957 CA THR A2117 -10.402 7.033 -6.725 1.00 0.38 C ATOM 958 C THR A2117 -9.429 6.030 -6.106 1.00 0.33 C ATOM 959 O THR A2117 -9.449 5.803 -4.897 1.00 0.33 O ATOM 960 CB THR A2117 -10.114 8.447 -6.183 1.00 0.44 C ATOM 961 OG1 THR A2117 -11.108 9.365 -6.669 1.00 0.57 O ATOM 962 CG2 THR A2117 -8.730 8.924 -6.600 1.00 0.54 C ATOM 0 H THR A2117 -12.188 7.126 -5.645 1.00 0.36 H new ATOM 0 HA THR A2117 -10.267 7.044 -7.807 1.00 0.38 H new ATOM 0 HB THR A2117 -10.149 8.408 -5.094 1.00 0.44 H new ATOM 0 HG1 THR A2117 -10.923 10.262 -6.321 1.00 0.57 H new ATOM 0 HG21 THR A2117 -8.555 9.924 -6.203 1.00 0.54 H new ATOM 0 HG22 THR A2117 -7.976 8.241 -6.208 1.00 0.54 H new ATOM 0 HG23 THR A2117 -8.666 8.949 -7.688 1.00 0.54 H new ATOM 970 N PRO A2118 -8.596 5.379 -6.930 1.00 0.38 N ATOM 971 CA PRO A2118 -7.622 4.405 -6.449 1.00 0.40 C ATOM 972 C PRO A2118 -6.451 5.059 -5.724 1.00 0.35 C ATOM 973 O PRO A2118 -5.586 5.674 -6.350 1.00 0.39 O ATOM 974 CB PRO A2118 -7.124 3.709 -7.726 1.00 0.53 C ATOM 975 CG PRO A2118 -8.008 4.190 -8.829 1.00 0.61 C ATOM 976 CD PRO A2118 -8.542 5.521 -8.390 1.00 0.51 C ATOM 0 HA PRO A2118 -8.071 3.725 -5.725 1.00 0.40 H new ATOM 0 HB2 PRO A2118 -6.082 3.958 -7.925 1.00 0.53 H new ATOM 0 HB3 PRO A2118 -7.179 2.625 -7.626 1.00 0.53 H new ATOM 0 HG2 PRO A2118 -7.451 4.283 -9.761 1.00 0.61 H new ATOM 0 HG3 PRO A2118 -8.820 3.486 -9.012 1.00 0.61 H new ATOM 0 HD2 PRO A2118 -7.890 6.340 -8.694 1.00 0.51 H new ATOM 0 HD3 PRO A2118 -9.526 5.723 -8.814 1.00 0.51 H new ATOM 984 N VAL A2119 -6.428 4.934 -4.406 1.00 0.33 N ATOM 985 CA VAL A2119 -5.269 5.351 -3.634 1.00 0.33 C ATOM 986 C VAL A2119 -4.201 4.286 -3.780 1.00 0.36 C ATOM 987 O VAL A2119 -4.336 3.153 -3.310 1.00 0.39 O ATOM 988 CB VAL A2119 -5.605 5.644 -2.150 1.00 0.39 C ATOM 989 CG1 VAL A2119 -6.598 6.786 -2.045 1.00 0.52 C ATOM 990 CG2 VAL A2119 -6.158 4.434 -1.450 1.00 0.60 C ATOM 0 H VAL A2119 -7.193 4.550 -3.852 1.00 0.33 H new ATOM 0 HA VAL A2119 -4.902 6.300 -4.025 1.00 0.33 H new ATOM 0 HB VAL A2119 -4.672 5.923 -1.660 1.00 0.39 H new ATOM 0 HG11 VAL A2119 -6.822 6.978 -0.996 1.00 0.52 H new ATOM 0 HG12 VAL A2119 -6.171 7.682 -2.494 1.00 0.52 H new ATOM 0 HG13 VAL A2119 -7.516 6.520 -2.569 1.00 0.52 H new ATOM 0 HG21 VAL A2119 -6.380 4.684 -0.412 1.00 0.60 H new ATOM 0 HG22 VAL A2119 -7.072 4.111 -1.949 1.00 0.60 H new ATOM 0 HG23 VAL A2119 -5.424 3.629 -1.481 1.00 0.60 H new ATOM 1000 N THR A2120 -3.171 4.643 -4.514 1.00 0.39 N ATOM 1001 CA THR A2120 -2.150 3.701 -4.887 1.00 0.44 C ATOM 1002 C THR A2120 -0.806 4.140 -4.361 1.00 0.53 C ATOM 1003 O THR A2120 -0.506 5.337 -4.297 1.00 0.67 O ATOM 1004 CB THR A2120 -2.063 3.544 -6.419 1.00 0.52 C ATOM 1005 OG1 THR A2120 -1.873 4.826 -7.033 1.00 0.61 O ATOM 1006 CG2 THR A2120 -3.319 2.897 -6.980 1.00 0.55 C ATOM 0 H THR A2120 -3.021 5.589 -4.865 1.00 0.39 H new ATOM 0 HA THR A2120 -2.420 2.740 -4.449 1.00 0.44 H new ATOM 0 HB THR A2120 -1.213 2.898 -6.641 1.00 0.52 H new ATOM 0 HG1 THR A2120 -1.817 4.718 -8.005 1.00 0.61 H new ATOM 0 HG21 THR A2120 -3.226 2.800 -8.062 1.00 0.55 H new ATOM 0 HG22 THR A2120 -3.448 1.909 -6.537 1.00 0.55 H new ATOM 0 HG23 THR A2120 -4.184 3.517 -6.744 1.00 0.55 H new ATOM 1014 N ALA A2121 -0.003 3.176 -3.987 1.00 0.53 N ATOM 1015 CA ALA A2121 1.340 3.453 -3.558 1.00 0.65 C ATOM 1016 C ALA A2121 2.300 2.573 -4.325 1.00 0.73 C ATOM 1017 O ALA A2121 2.139 1.353 -4.359 1.00 0.69 O ATOM 1018 CB ALA A2121 1.466 3.219 -2.064 1.00 0.70 C ATOM 0 H ALA A2121 -0.260 2.189 -3.972 1.00 0.53 H new ATOM 0 HA ALA A2121 1.583 4.496 -3.758 1.00 0.65 H new ATOM 0 HB1 ALA A2121 2.487 3.431 -1.747 1.00 0.70 H new ATOM 0 HB2 ALA A2121 0.777 3.877 -1.533 1.00 0.70 H new ATOM 0 HB3 ALA A2121 1.224 2.181 -1.837 1.00 0.70 H new ATOM 1024 N THR A2122 3.287 3.191 -4.947 1.00 0.98 N ATOM 1025 CA THR A2122 4.302 2.454 -5.665 1.00 1.15 C ATOM 1026 C THR A2122 5.542 2.358 -4.800 1.00 0.99 C ATOM 1027 O THR A2122 6.354 3.282 -4.745 1.00 1.22 O ATOM 1028 CB THR A2122 4.641 3.132 -7.010 1.00 1.63 C ATOM 1029 OG1 THR A2122 4.958 4.516 -6.805 1.00 2.19 O ATOM 1030 CG2 THR A2122 3.477 3.020 -7.983 1.00 2.08 C ATOM 0 H THR A2122 3.405 4.204 -4.968 1.00 0.98 H new ATOM 0 HA THR A2122 3.924 1.456 -5.887 1.00 1.15 H new ATOM 0 HB THR A2122 5.505 2.621 -7.434 1.00 1.63 H new ATOM 0 HG1 THR A2122 5.548 4.605 -6.028 1.00 2.19 H new ATOM 0 HG21 THR A2122 3.740 3.505 -8.923 1.00 2.08 H new ATOM 0 HG22 THR A2122 3.256 1.969 -8.167 1.00 2.08 H new ATOM 0 HG23 THR A2122 2.599 3.506 -7.557 1.00 2.08 H new ATOM 1038 N TYR A2123 5.689 1.236 -4.122 1.00 0.85 N ATOM 1039 CA TYR A2123 6.739 1.098 -3.141 1.00 0.77 C ATOM 1040 C TYR A2123 8.001 0.569 -3.752 1.00 0.94 C ATOM 1041 O TYR A2123 8.150 -0.626 -3.980 1.00 1.20 O ATOM 1042 CB TYR A2123 6.285 0.230 -1.981 1.00 0.83 C ATOM 1043 CG TYR A2123 5.364 0.985 -1.073 1.00 1.21 C ATOM 1044 CD1 TYR A2123 5.766 2.200 -0.549 1.00 1.93 C ATOM 1045 CD2 TYR A2123 4.104 0.509 -0.756 1.00 1.82 C ATOM 1046 CE1 TYR A2123 4.943 2.929 0.267 1.00 2.36 C ATOM 1047 CE2 TYR A2123 3.267 1.230 0.069 1.00 2.26 C ATOM 1048 CZ TYR A2123 3.687 2.442 0.578 1.00 2.25 C ATOM 1049 OH TYR A2123 2.850 3.161 1.398 1.00 2.81 O ATOM 0 H TYR A2123 5.097 0.413 -4.234 1.00 0.85 H new ATOM 0 HA TYR A2123 6.960 2.092 -2.753 1.00 0.77 H new ATOM 0 HB2 TYR A2123 5.779 -0.657 -2.362 1.00 0.83 H new ATOM 0 HB3 TYR A2123 7.153 -0.115 -1.419 1.00 0.83 H new ATOM 0 HD1 TYR A2123 6.748 2.581 -0.788 1.00 1.93 H new ATOM 0 HD2 TYR A2123 3.773 -0.437 -1.159 1.00 1.82 H new ATOM 0 HE1 TYR A2123 5.273 3.877 0.665 1.00 2.36 H new ATOM 0 HE2 TYR A2123 2.287 0.848 0.316 1.00 2.26 H new ATOM 0 HH TYR A2123 2.377 3.838 0.870 1.00 2.81 H new ATOM 1059 N SER A2124 8.902 1.485 -4.016 1.00 1.07 N ATOM 1060 CA SER A2124 10.181 1.153 -4.576 1.00 1.29 C ATOM 1061 C SER A2124 11.227 2.150 -4.081 1.00 1.24 C ATOM 1062 O SER A2124 10.869 3.141 -3.435 1.00 1.31 O ATOM 1063 CB SER A2124 10.079 1.161 -6.106 1.00 1.66 C ATOM 1064 OG SER A2124 9.373 2.307 -6.562 1.00 2.06 O ATOM 0 H SER A2124 8.764 2.481 -3.847 1.00 1.07 H new ATOM 0 HA SER A2124 10.487 0.156 -4.258 1.00 1.29 H new ATOM 0 HB2 SER A2124 11.078 1.148 -6.541 1.00 1.66 H new ATOM 0 HB3 SER A2124 9.572 0.258 -6.445 1.00 1.66 H new ATOM 0 HG SER A2124 9.322 2.292 -7.541 1.00 2.06 H new ATOM 1070 N PRO A2125 12.527 1.892 -4.331 1.00 1.46 N ATOM 1071 CA PRO A2125 13.596 2.834 -3.987 1.00 1.71 C ATOM 1072 C PRO A2125 13.367 4.205 -4.615 1.00 1.73 C ATOM 1073 O PRO A2125 13.665 4.423 -5.789 1.00 2.16 O ATOM 1074 CB PRO A2125 14.855 2.178 -4.558 1.00 2.09 C ATOM 1075 CG PRO A2125 14.525 0.728 -4.609 1.00 2.09 C ATOM 1076 CD PRO A2125 13.064 0.659 -4.938 1.00 1.75 C ATOM 0 HA PRO A2125 13.656 3.016 -2.914 1.00 1.71 H new ATOM 0 HB2 PRO A2125 15.092 2.567 -5.548 1.00 2.09 H new ATOM 0 HB3 PRO A2125 15.723 2.366 -3.926 1.00 2.09 H new ATOM 0 HG2 PRO A2125 15.122 0.216 -5.364 1.00 2.09 H new ATOM 0 HG3 PRO A2125 14.735 0.244 -3.655 1.00 2.09 H new ATOM 0 HD2 PRO A2125 12.894 0.632 -6.014 1.00 1.75 H new ATOM 0 HD3 PRO A2125 12.598 -0.233 -4.519 1.00 1.75 H new ATOM 1084 N GLU A2126 12.814 5.113 -3.823 1.00 1.86 N ATOM 1085 CA GLU A2126 12.486 6.450 -4.287 1.00 2.08 C ATOM 1086 C GLU A2126 12.303 7.383 -3.098 1.00 1.98 C ATOM 1087 O GLU A2126 12.973 8.408 -2.985 1.00 2.37 O ATOM 1088 CB GLU A2126 11.196 6.419 -5.115 1.00 2.47 C ATOM 1089 CG GLU A2126 10.787 7.777 -5.658 1.00 3.11 C ATOM 1090 CD GLU A2126 9.383 7.781 -6.224 1.00 3.80 C ATOM 1091 OE1 GLU A2126 8.474 8.308 -5.554 1.00 4.26 O ATOM 1092 OE2 GLU A2126 9.183 7.261 -7.344 1.00 4.33 O ATOM 0 H GLU A2126 12.582 4.943 -2.845 1.00 1.86 H new ATOM 0 HA GLU A2126 13.303 6.814 -4.909 1.00 2.08 H new ATOM 0 HB2 GLU A2126 11.326 5.728 -5.948 1.00 2.47 H new ATOM 0 HB3 GLU A2126 10.388 6.026 -4.498 1.00 2.47 H new ATOM 0 HG2 GLU A2126 10.855 8.518 -4.861 1.00 3.11 H new ATOM 0 HG3 GLU A2126 11.489 8.079 -6.435 1.00 3.11 H new ATOM 1099 N PHE A2127 11.400 6.999 -2.207 1.00 2.04 N ATOM 1100 CA PHE A2127 11.029 7.824 -1.066 1.00 2.23 C ATOM 1101 C PHE A2127 12.169 7.940 -0.055 1.00 2.57 C ATOM 1102 O PHE A2127 12.862 6.958 0.227 1.00 3.09 O ATOM 1103 CB PHE A2127 9.784 7.237 -0.391 1.00 2.24 C ATOM 1104 CG PHE A2127 8.588 7.164 -1.299 1.00 2.48 C ATOM 1105 CD1 PHE A2127 8.270 5.986 -1.958 1.00 2.99 C ATOM 1106 CD2 PHE A2127 7.784 8.275 -1.495 1.00 2.99 C ATOM 1107 CE1 PHE A2127 7.173 5.920 -2.795 1.00 3.64 C ATOM 1108 CE2 PHE A2127 6.685 8.213 -2.330 1.00 3.62 C ATOM 1109 CZ PHE A2127 6.379 7.034 -2.981 1.00 3.83 C ATOM 0 H PHE A2127 10.905 6.109 -2.254 1.00 2.04 H new ATOM 0 HA PHE A2127 10.812 8.828 -1.432 1.00 2.23 H new ATOM 0 HB2 PHE A2127 10.016 6.236 -0.027 1.00 2.24 H new ATOM 0 HB3 PHE A2127 9.533 7.843 0.480 1.00 2.24 H new ATOM 0 HD1 PHE A2127 8.887 5.111 -1.815 1.00 2.99 H new ATOM 0 HD2 PHE A2127 8.019 9.200 -0.989 1.00 2.99 H new ATOM 0 HE1 PHE A2127 6.937 4.997 -3.304 1.00 3.64 H new ATOM 0 HE2 PHE A2127 6.066 9.086 -2.474 1.00 3.62 H new ATOM 0 HZ PHE A2127 5.520 6.984 -3.634 1.00 3.83 H new ATOM 1119 N THR A2128 12.367 9.157 0.454 1.00 2.82 N ATOM 1120 CA THR A2128 13.307 9.435 1.543 1.00 3.38 C ATOM 1121 C THR A2128 14.769 9.403 1.091 1.00 2.89 C ATOM 1122 O THR A2128 15.496 10.383 1.261 1.00 3.03 O ATOM 1123 CB THR A2128 13.100 8.456 2.716 1.00 4.34 C ATOM 1124 OG1 THR A2128 11.726 8.488 3.127 1.00 4.91 O ATOM 1125 CG2 THR A2128 13.996 8.807 3.897 1.00 5.11 C ATOM 0 H THR A2128 11.875 9.986 0.119 1.00 2.82 H new ATOM 0 HA THR A2128 13.092 10.450 1.876 1.00 3.38 H new ATOM 0 HB THR A2128 13.366 7.455 2.377 1.00 4.34 H new ATOM 0 HG1 THR A2128 11.634 8.044 3.996 1.00 4.91 H new ATOM 0 HG21 THR A2128 13.825 8.098 4.707 1.00 5.11 H new ATOM 0 HG22 THR A2128 15.040 8.760 3.588 1.00 5.11 H new ATOM 0 HG23 THR A2128 13.764 9.815 4.243 1.00 5.11 H new ATOM 1133 N LYS A2129 15.199 8.287 0.518 1.00 2.90 N ATOM 1134 CA LYS A2129 16.592 8.127 0.121 1.00 2.79 C ATOM 1135 C LYS A2129 16.907 8.951 -1.120 1.00 3.43 C ATOM 1136 O LYS A2129 16.041 9.172 -1.969 1.00 3.99 O ATOM 1137 CB LYS A2129 16.924 6.659 -0.152 1.00 3.05 C ATOM 1138 CG LYS A2129 16.087 6.046 -1.264 1.00 3.76 C ATOM 1139 CD LYS A2129 16.749 4.819 -1.877 1.00 4.33 C ATOM 1140 CE LYS A2129 18.024 5.175 -2.640 1.00 4.72 C ATOM 1141 NZ LYS A2129 17.766 6.075 -3.797 1.00 5.22 N ATOM 0 H LYS A2129 14.606 7.482 0.318 1.00 2.90 H new ATOM 0 HA LYS A2129 17.204 8.482 0.950 1.00 2.79 H new ATOM 0 HB2 LYS A2129 17.979 6.576 -0.414 1.00 3.05 H new ATOM 0 HB3 LYS A2129 16.776 6.085 0.763 1.00 3.05 H new ATOM 0 HG2 LYS A2129 15.109 5.769 -0.869 1.00 3.76 H new ATOM 0 HG3 LYS A2129 15.918 6.791 -2.041 1.00 3.76 H new ATOM 0 HD2 LYS A2129 16.986 4.104 -1.089 1.00 4.33 H new ATOM 0 HD3 LYS A2129 16.048 4.329 -2.552 1.00 4.33 H new ATOM 0 HE2 LYS A2129 18.728 5.656 -1.960 1.00 4.72 H new ATOM 0 HE3 LYS A2129 18.498 4.260 -2.995 1.00 4.72 H new ATOM 0 HZ1 LYS A2129 18.104 5.623 -4.671 1.00 5.22 H new ATOM 0 HZ2 LYS A2129 16.745 6.257 -3.874 1.00 5.22 H new ATOM 0 HZ3 LYS A2129 18.268 6.975 -3.656 1.00 5.22 H new ATOM 1155 N VAL A2130 18.148 9.395 -1.219 1.00 3.76 N ATOM 1156 CA VAL A2130 18.607 10.129 -2.386 1.00 4.65 C ATOM 1157 C VAL A2130 19.592 9.276 -3.175 1.00 5.15 C ATOM 1158 O VAL A2130 20.797 9.297 -2.844 1.00 5.63 O ATOM 1159 CB VAL A2130 19.282 11.463 -2.000 1.00 5.31 C ATOM 1160 CG1 VAL A2130 19.557 12.301 -3.240 1.00 5.79 C ATOM 1161 CG2 VAL A2130 18.429 12.233 -1.003 1.00 5.88 C ATOM 1162 OXT VAL A2130 19.154 8.561 -4.099 1.00 5.44 O ATOM 0 H VAL A2130 18.860 9.259 -0.501 1.00 3.76 H new ATOM 0 HA VAL A2130 17.733 10.358 -2.995 1.00 4.65 H new ATOM 0 HB VAL A2130 20.235 11.238 -1.522 1.00 5.31 H new ATOM 0 HG11 VAL A2130 20.033 13.237 -2.948 1.00 5.79 H new ATOM 0 HG12 VAL A2130 20.218 11.752 -3.911 1.00 5.79 H new ATOM 0 HG13 VAL A2130 18.618 12.515 -3.750 1.00 5.79 H new ATOM 0 HG21 VAL A2130 18.925 13.169 -0.746 1.00 5.88 H new ATOM 0 HG22 VAL A2130 17.456 12.447 -1.446 1.00 5.88 H new ATOM 0 HG23 VAL A2130 18.294 11.635 -0.102 1.00 5.88 H new TER 1172 VAL A2130