USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=21 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: A2053 GLN : amide:sc= 1.95 K(o=2.9,f=-5.2!) USER MOD Set 1.2: A2120 THR OG1 : rot -15:sc= 0.975 USER MOD Set 2.1: A2115 ASN : amide:sc= 0.295 K(o=1.1,f=1.8) USER MOD Set 2.2: A2117 THR OG1 : rot 42:sc= 0.846 USER MOD Set 3.1: A2093 THR OG1 : rot -89:sc= 0.0513 USER MOD Set 3.2: A2095 THR OG1 : rot 180:sc= 0.0504 USER MOD Set 4.1: A2081 GLN : amide:sc= 0.00639 K(o=0.4,f=-4.7!) USER MOD Set 4.2: A2084 TYR OH : rot 115:sc= 0.389 USER MOD Set 5.1: A2077 THR OG1 : rot 180:sc= 0.956 USER MOD Set 5.2: A2083 THR OG1 : rot -113:sc= 1.24 USER MOD Single : A2064 THR OG1 : rot -66:sc= 1.11 USER MOD Single : A2068 THR OG1 : rot 180:sc= 0 USER MOD Single : A2073 SER OG : rot 180:sc= 0 USER MOD Single : A2074 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0154) USER MOD Single : A2076 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2085 THR OG1 : rot 180:sc= 0 USER MOD Single : A2091 THR OG1 : rot 15:sc= -2.78! USER MOD Single : A2098 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2099 GLN : amide:sc= -0.95 K(o=-0.95,f=-0.043) USER MOD Single : A2103 LYS NZ :NH3+ 148:sc= -2.13! (180deg=-3.84!) USER MOD Single : A2108 THR OG1 : rot 180:sc= 0 USER MOD Single : A2110 LYS NZ :NH3+ -174:sc= 1.22 (180deg=1.16) USER MOD Single : A2114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2122 THR OG1 : rot 45:sc= 0.518 USER MOD Single : A2123 TYR OH : rot 180:sc= 0 USER MOD Single : A2124 SER OG : rot 180:sc= -0.192 USER MOD Single : A2128 THR OG1 : rot -58:sc= -0.769 USER MOD Single : A2129 LYS NZ :NH3+ -179:sc= 1.32 (180deg=1.27) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A2053 -1.919 9.909 -1.539 1.00 4.90 N ATOM 2 CA GLN A2053 -1.802 8.435 -1.468 1.00 4.58 C ATOM 3 C GLN A2053 -1.981 7.976 -0.029 1.00 3.90 C ATOM 4 O GLN A2053 -1.880 8.780 0.899 1.00 4.20 O ATOM 5 CB GLN A2053 -0.438 7.974 -1.993 1.00 5.04 C ATOM 6 CG GLN A2053 -0.112 8.466 -3.396 1.00 5.47 C ATOM 7 CD GLN A2053 -1.163 8.084 -4.420 1.00 6.21 C ATOM 8 OE1 GLN A2053 -1.825 7.053 -4.303 1.00 6.51 O ATOM 9 NE2 GLN A2053 -1.330 8.920 -5.428 1.00 6.85 N ATOM 0 HA GLN A2053 -2.580 7.994 -2.091 1.00 4.58 H new ATOM 0 HB2 GLN A2053 0.338 8.319 -1.309 1.00 5.04 H new ATOM 0 HB3 GLN A2053 -0.407 6.884 -1.986 1.00 5.04 H new ATOM 0 HG2 GLN A2053 -0.008 9.551 -3.379 1.00 5.47 H new ATOM 0 HG3 GLN A2053 0.851 8.058 -3.703 1.00 5.47 H new ATOM 0 HE21 GLN A2053 -0.761 9.765 -5.490 1.00 6.85 H new ATOM 0 HE22 GLN A2053 -2.028 8.721 -6.145 1.00 6.85 H new ATOM 18 N GLY A2054 -2.239 6.690 0.160 1.00 3.41 N ATOM 19 CA GLY A2054 -2.454 6.169 1.496 1.00 3.09 C ATOM 20 C GLY A2054 -3.923 5.979 1.809 1.00 2.21 C ATOM 21 O GLY A2054 -4.469 4.885 1.647 1.00 2.29 O ATOM 0 H GLY A2054 -2.303 5.998 -0.587 1.00 3.41 H new ATOM 0 HA2 GLY A2054 -1.936 5.215 1.599 1.00 3.09 H new ATOM 0 HA3 GLY A2054 -2.015 6.851 2.224 1.00 3.09 H new ATOM 25 N GLY A2055 -4.564 7.046 2.251 1.00 1.77 N ATOM 26 CA GLY A2055 -5.973 6.989 2.573 1.00 1.45 C ATOM 27 C GLY A2055 -6.540 8.362 2.855 1.00 1.28 C ATOM 28 O GLY A2055 -6.165 9.002 3.839 1.00 1.66 O ATOM 0 H GLY A2055 -4.131 7.958 2.394 1.00 1.77 H new ATOM 0 HA2 GLY A2055 -6.517 6.534 1.745 1.00 1.45 H new ATOM 0 HA3 GLY A2055 -6.122 6.349 3.442 1.00 1.45 H new ATOM 32 N ASP A2056 -7.420 8.824 1.979 1.00 1.08 N ATOM 33 CA ASP A2056 -8.062 10.127 2.140 1.00 1.00 C ATOM 34 C ASP A2056 -8.978 10.139 3.352 1.00 1.03 C ATOM 35 O ASP A2056 -9.954 9.396 3.406 1.00 1.04 O ATOM 36 CB ASP A2056 -8.872 10.498 0.892 1.00 1.12 C ATOM 37 CG ASP A2056 -8.004 10.970 -0.253 1.00 1.80 C ATOM 38 OD1 ASP A2056 -8.261 12.075 -0.780 1.00 2.41 O ATOM 39 OD2 ASP A2056 -7.054 10.254 -0.620 1.00 2.42 O ATOM 0 H ASP A2056 -7.709 8.315 1.144 1.00 1.08 H new ATOM 0 HA ASP A2056 -7.270 10.862 2.285 1.00 1.00 H new ATOM 0 HB2 ASP A2056 -9.451 9.632 0.570 1.00 1.12 H new ATOM 0 HB3 ASP A2056 -9.586 11.281 1.148 1.00 1.12 H new ATOM 44 N PRO A2057 -8.682 10.990 4.343 1.00 1.20 N ATOM 45 CA PRO A2057 -9.534 11.140 5.520 1.00 1.36 C ATOM 46 C PRO A2057 -10.811 11.902 5.186 1.00 1.24 C ATOM 47 O PRO A2057 -11.773 11.904 5.957 1.00 1.34 O ATOM 48 CB PRO A2057 -8.667 11.933 6.495 1.00 1.72 C ATOM 49 CG PRO A2057 -7.710 12.689 5.639 1.00 1.71 C ATOM 50 CD PRO A2057 -7.494 11.863 4.398 1.00 1.41 C ATOM 0 HA PRO A2057 -9.861 10.182 5.924 1.00 1.36 H new ATOM 0 HB2 PRO A2057 -9.272 12.608 7.101 1.00 1.72 H new ATOM 0 HB3 PRO A2057 -8.142 11.271 7.183 1.00 1.72 H new ATOM 0 HG2 PRO A2057 -8.110 13.671 5.386 1.00 1.71 H new ATOM 0 HG3 PRO A2057 -6.769 12.854 6.163 1.00 1.71 H new ATOM 0 HD2 PRO A2057 -7.417 12.489 3.509 1.00 1.41 H new ATOM 0 HD3 PRO A2057 -6.574 11.282 4.460 1.00 1.41 H new ATOM 58 N LEU A2058 -10.806 12.552 4.027 1.00 1.18 N ATOM 59 CA LEU A2058 -11.972 13.275 3.547 1.00 1.17 C ATOM 60 C LEU A2058 -13.024 12.296 3.050 1.00 1.00 C ATOM 61 O LEU A2058 -14.217 12.470 3.299 1.00 1.06 O ATOM 62 CB LEU A2058 -11.607 14.247 2.416 1.00 1.35 C ATOM 63 CG LEU A2058 -10.754 15.457 2.812 1.00 1.71 C ATOM 64 CD1 LEU A2058 -9.305 15.060 3.039 1.00 2.34 C ATOM 65 CD2 LEU A2058 -10.851 16.540 1.749 1.00 2.10 C ATOM 0 H LEU A2058 -10.001 12.591 3.402 1.00 1.18 H new ATOM 0 HA LEU A2058 -12.368 13.853 4.382 1.00 1.17 H new ATOM 0 HB2 LEU A2058 -11.075 13.690 1.645 1.00 1.35 H new ATOM 0 HB3 LEU A2058 -12.531 14.611 1.966 1.00 1.35 H new ATOM 0 HG LEU A2058 -11.141 15.851 3.752 1.00 1.71 H new ATOM 0 HD11 LEU A2058 -8.726 15.940 3.318 1.00 2.34 H new ATOM 0 HD12 LEU A2058 -9.251 14.321 3.839 1.00 2.34 H new ATOM 0 HD13 LEU A2058 -8.897 14.633 2.123 1.00 2.34 H new ATOM 0 HD21 LEU A2058 -10.240 17.394 2.043 1.00 2.10 H new ATOM 0 HD22 LEU A2058 -10.493 16.148 0.797 1.00 2.10 H new ATOM 0 HD23 LEU A2058 -11.889 16.855 1.644 1.00 2.10 H new ATOM 77 N VAL A2059 -12.580 11.262 2.350 1.00 0.86 N ATOM 78 CA VAL A2059 -13.487 10.263 1.815 1.00 0.74 C ATOM 79 C VAL A2059 -13.046 8.878 2.262 1.00 0.66 C ATOM 80 O VAL A2059 -12.129 8.301 1.680 1.00 0.62 O ATOM 81 CB VAL A2059 -13.547 10.280 0.273 1.00 0.75 C ATOM 82 CG1 VAL A2059 -14.879 9.726 -0.206 1.00 0.80 C ATOM 83 CG2 VAL A2059 -13.301 11.674 -0.284 1.00 0.87 C ATOM 0 H VAL A2059 -11.596 11.095 2.140 1.00 0.86 H new ATOM 0 HA VAL A2059 -14.480 10.503 2.196 1.00 0.74 H new ATOM 0 HB VAL A2059 -12.748 9.641 -0.103 1.00 0.75 H new ATOM 0 HG11 VAL A2059 -14.910 9.743 -1.295 1.00 0.80 H new ATOM 0 HG12 VAL A2059 -14.993 8.700 0.144 1.00 0.80 H new ATOM 0 HG13 VAL A2059 -15.690 10.337 0.189 1.00 0.80 H new ATOM 0 HG21 VAL A2059 -13.351 11.645 -1.372 1.00 0.87 H new ATOM 0 HG22 VAL A2059 -14.061 12.357 0.096 1.00 0.87 H new ATOM 0 HG23 VAL A2059 -12.315 12.020 0.025 1.00 0.87 H new ATOM 93 N PRO A2060 -13.675 8.335 3.312 1.00 0.71 N ATOM 94 CA PRO A2060 -13.325 7.015 3.831 1.00 0.72 C ATOM 95 C PRO A2060 -13.500 5.926 2.777 1.00 0.59 C ATOM 96 O PRO A2060 -14.530 5.862 2.099 1.00 0.58 O ATOM 97 CB PRO A2060 -14.294 6.807 5.001 1.00 0.87 C ATOM 98 CG PRO A2060 -15.392 7.793 4.788 1.00 1.04 C ATOM 99 CD PRO A2060 -14.773 8.957 4.071 1.00 0.86 C ATOM 0 HA PRO A2060 -12.279 6.958 4.131 1.00 0.72 H new ATOM 0 HB2 PRO A2060 -14.679 5.787 5.015 1.00 0.87 H new ATOM 0 HB3 PRO A2060 -13.797 6.973 5.957 1.00 0.87 H new ATOM 0 HG2 PRO A2060 -16.199 7.357 4.199 1.00 1.04 H new ATOM 0 HG3 PRO A2060 -15.825 8.106 5.738 1.00 1.04 H new ATOM 0 HD2 PRO A2060 -15.488 9.452 3.414 1.00 0.86 H new ATOM 0 HD3 PRO A2060 -14.405 9.711 4.768 1.00 0.86 H new ATOM 107 N ILE A2061 -12.478 5.089 2.639 1.00 0.62 N ATOM 108 CA ILE A2061 -12.473 4.019 1.648 1.00 0.56 C ATOM 109 C ILE A2061 -13.694 3.122 1.820 1.00 0.51 C ATOM 110 O ILE A2061 -13.988 2.665 2.930 1.00 0.57 O ATOM 111 CB ILE A2061 -11.190 3.165 1.763 1.00 0.69 C ATOM 112 CG1 ILE A2061 -9.936 4.033 1.566 1.00 0.77 C ATOM 113 CG2 ILE A2061 -11.215 2.013 0.766 1.00 0.75 C ATOM 114 CD1 ILE A2061 -9.865 4.731 0.225 1.00 0.76 C ATOM 0 H ILE A2061 -11.633 5.132 3.208 1.00 0.62 H new ATOM 0 HA ILE A2061 -12.503 4.482 0.662 1.00 0.56 H new ATOM 0 HB ILE A2061 -11.154 2.742 2.767 1.00 0.69 H new ATOM 0 HG12 ILE A2061 -9.901 4.784 2.355 1.00 0.77 H new ATOM 0 HG13 ILE A2061 -9.052 3.406 1.683 1.00 0.77 H new ATOM 0 HG21 ILE A2061 -10.302 1.426 0.865 1.00 0.75 H new ATOM 0 HG22 ILE A2061 -12.078 1.378 0.965 1.00 0.75 H new ATOM 0 HG23 ILE A2061 -11.283 2.410 -0.247 1.00 0.75 H new ATOM 0 HD11 ILE A2061 -8.950 5.321 0.170 1.00 0.76 H new ATOM 0 HD12 ILE A2061 -9.866 3.988 -0.572 1.00 0.76 H new ATOM 0 HD13 ILE A2061 -10.728 5.387 0.110 1.00 0.76 H new ATOM 126 N ASP A2062 -14.406 2.880 0.726 1.00 0.45 N ATOM 127 CA ASP A2062 -15.618 2.076 0.772 1.00 0.43 C ATOM 128 C ASP A2062 -15.266 0.599 0.904 1.00 0.43 C ATOM 129 O ASP A2062 -14.341 0.110 0.262 1.00 0.43 O ATOM 130 CB ASP A2062 -16.473 2.300 -0.473 1.00 0.44 C ATOM 131 CG ASP A2062 -17.872 1.752 -0.288 1.00 0.71 C ATOM 132 OD1 ASP A2062 -18.050 0.522 -0.380 1.00 1.42 O ATOM 133 OD2 ASP A2062 -18.798 2.546 -0.022 1.00 1.40 O ATOM 0 H ASP A2062 -14.165 3.229 -0.202 1.00 0.45 H new ATOM 0 HA ASP A2062 -16.195 2.385 1.643 1.00 0.43 H new ATOM 0 HB2 ASP A2062 -16.524 3.366 -0.694 1.00 0.44 H new ATOM 0 HB3 ASP A2062 -16.003 1.819 -1.331 1.00 0.44 H new ATOM 138 N GLU A2063 -16.021 -0.111 1.719 1.00 0.47 N ATOM 139 CA GLU A2063 -15.680 -1.479 2.071 1.00 0.52 C ATOM 140 C GLU A2063 -16.289 -2.493 1.101 1.00 0.51 C ATOM 141 O GLU A2063 -16.015 -3.691 1.198 1.00 0.58 O ATOM 142 CB GLU A2063 -16.130 -1.757 3.503 1.00 0.64 C ATOM 143 CG GLU A2063 -15.529 -0.784 4.507 1.00 0.72 C ATOM 144 CD GLU A2063 -16.122 -0.920 5.894 1.00 0.87 C ATOM 145 OE1 GLU A2063 -15.640 -1.762 6.677 1.00 1.55 O ATOM 146 OE2 GLU A2063 -17.069 -0.168 6.214 1.00 1.30 O ATOM 0 H GLU A2063 -16.877 0.236 2.152 1.00 0.47 H new ATOM 0 HA GLU A2063 -14.598 -1.591 1.999 1.00 0.52 H new ATOM 0 HB2 GLU A2063 -17.217 -1.701 3.555 1.00 0.64 H new ATOM 0 HB3 GLU A2063 -15.850 -2.774 3.777 1.00 0.64 H new ATOM 0 HG2 GLU A2063 -14.452 -0.946 4.561 1.00 0.72 H new ATOM 0 HG3 GLU A2063 -15.681 0.235 4.152 1.00 0.72 H new ATOM 153 N THR A2064 -17.101 -2.025 0.158 1.00 0.49 N ATOM 154 CA THR A2064 -17.703 -2.929 -0.818 1.00 0.54 C ATOM 155 C THR A2064 -16.939 -2.904 -2.140 1.00 0.50 C ATOM 156 O THR A2064 -17.118 -3.781 -2.987 1.00 0.59 O ATOM 157 CB THR A2064 -19.190 -2.607 -1.078 1.00 0.60 C ATOM 158 OG1 THR A2064 -19.341 -1.277 -1.592 1.00 0.58 O ATOM 159 CG2 THR A2064 -20.004 -2.760 0.198 1.00 0.69 C ATOM 0 H THR A2064 -17.355 -1.043 0.049 1.00 0.49 H new ATOM 0 HA THR A2064 -17.643 -3.928 -0.385 1.00 0.54 H new ATOM 0 HB THR A2064 -19.560 -3.315 -1.820 1.00 0.60 H new ATOM 0 HG1 THR A2064 -19.085 -0.629 -0.903 1.00 0.58 H new ATOM 0 HG21 THR A2064 -21.049 -2.528 -0.007 1.00 0.69 H new ATOM 0 HG22 THR A2064 -19.924 -3.785 0.560 1.00 0.69 H new ATOM 0 HG23 THR A2064 -19.623 -2.076 0.957 1.00 0.69 H new ATOM 167 N VAL A2065 -16.069 -1.913 -2.309 1.00 0.44 N ATOM 168 CA VAL A2065 -15.284 -1.796 -3.535 1.00 0.43 C ATOM 169 C VAL A2065 -14.097 -2.757 -3.486 1.00 0.37 C ATOM 170 O VAL A2065 -13.991 -3.557 -2.552 1.00 0.46 O ATOM 171 CB VAL A2065 -14.785 -0.351 -3.755 1.00 0.48 C ATOM 172 CG1 VAL A2065 -15.958 0.613 -3.843 1.00 0.82 C ATOM 173 CG2 VAL A2065 -13.826 0.066 -2.654 1.00 0.57 C ATOM 0 H VAL A2065 -15.890 -1.184 -1.619 1.00 0.44 H new ATOM 0 HA VAL A2065 -15.930 -2.056 -4.373 1.00 0.43 H new ATOM 0 HB VAL A2065 -14.244 -0.319 -4.701 1.00 0.48 H new ATOM 0 HG11 VAL A2065 -15.586 1.626 -3.998 1.00 0.82 H new ATOM 0 HG12 VAL A2065 -16.599 0.330 -4.678 1.00 0.82 H new ATOM 0 HG13 VAL A2065 -16.531 0.575 -2.916 1.00 0.82 H new ATOM 0 HG21 VAL A2065 -13.489 1.087 -2.832 1.00 0.57 H new ATOM 0 HG22 VAL A2065 -14.333 0.014 -1.691 1.00 0.57 H new ATOM 0 HG23 VAL A2065 -12.966 -0.604 -2.648 1.00 0.57 H new ATOM 183 N GLU A2066 -13.220 -2.701 -4.484 1.00 0.34 N ATOM 184 CA GLU A2066 -12.065 -3.589 -4.517 1.00 0.32 C ATOM 185 C GLU A2066 -10.829 -2.924 -3.928 1.00 0.26 C ATOM 186 O GLU A2066 -10.286 -1.968 -4.496 1.00 0.28 O ATOM 187 CB GLU A2066 -11.749 -4.059 -5.939 1.00 0.40 C ATOM 188 CG GLU A2066 -10.494 -4.922 -6.014 1.00 0.43 C ATOM 189 CD GLU A2066 -10.084 -5.262 -7.430 1.00 0.61 C ATOM 190 OE1 GLU A2066 -9.216 -4.554 -7.991 1.00 0.68 O ATOM 191 OE2 GLU A2066 -10.618 -6.243 -7.988 1.00 0.78 O ATOM 0 H GLU A2066 -13.286 -2.057 -5.272 1.00 0.34 H new ATOM 0 HA GLU A2066 -12.329 -4.454 -3.909 1.00 0.32 H new ATOM 0 HB2 GLU A2066 -12.596 -4.625 -6.326 1.00 0.40 H new ATOM 0 HB3 GLU A2066 -11.625 -3.189 -6.584 1.00 0.40 H new ATOM 0 HG2 GLU A2066 -9.673 -4.401 -5.521 1.00 0.43 H new ATOM 0 HG3 GLU A2066 -10.663 -5.846 -5.461 1.00 0.43 H new ATOM 198 N PRO A2067 -10.404 -3.387 -2.749 1.00 0.27 N ATOM 199 CA PRO A2067 -9.104 -3.093 -2.202 1.00 0.30 C ATOM 200 C PRO A2067 -8.143 -4.269 -2.416 1.00 0.28 C ATOM 201 O PRO A2067 -8.432 -5.396 -2.013 1.00 0.34 O ATOM 202 CB PRO A2067 -9.433 -2.892 -0.722 1.00 0.41 C ATOM 203 CG PRO A2067 -10.656 -3.730 -0.460 1.00 0.45 C ATOM 204 CD PRO A2067 -11.179 -4.195 -1.802 1.00 0.37 C ATOM 0 HA PRO A2067 -8.604 -2.239 -2.659 1.00 0.30 H new ATOM 0 HB2 PRO A2067 -8.602 -3.204 -0.090 1.00 0.41 H new ATOM 0 HB3 PRO A2067 -9.624 -1.842 -0.502 1.00 0.41 H new ATOM 0 HG2 PRO A2067 -10.409 -4.583 0.173 1.00 0.45 H new ATOM 0 HG3 PRO A2067 -11.413 -3.150 0.068 1.00 0.45 H new ATOM 0 HD2 PRO A2067 -11.016 -5.262 -1.952 1.00 0.37 H new ATOM 0 HD3 PRO A2067 -12.250 -4.019 -1.902 1.00 0.37 H new ATOM 212 N THR A2068 -7.020 -4.016 -3.068 1.00 0.29 N ATOM 213 CA THR A2068 -6.040 -5.058 -3.363 1.00 0.32 C ATOM 214 C THR A2068 -4.645 -4.460 -3.495 1.00 0.39 C ATOM 215 O THR A2068 -4.444 -3.266 -3.285 1.00 0.70 O ATOM 216 CB THR A2068 -6.375 -5.774 -4.695 1.00 0.34 C ATOM 217 OG1 THR A2068 -6.812 -4.818 -5.673 1.00 0.38 O ATOM 218 CG2 THR A2068 -7.435 -6.849 -4.516 1.00 0.36 C ATOM 0 H THR A2068 -6.760 -3.090 -3.407 1.00 0.29 H new ATOM 0 HA THR A2068 -6.071 -5.771 -2.539 1.00 0.32 H new ATOM 0 HB THR A2068 -5.463 -6.263 -5.039 1.00 0.34 H new ATOM 0 HG1 THR A2068 -7.020 -5.280 -6.512 1.00 0.38 H new ATOM 0 HG21 THR A2068 -7.638 -7.324 -5.476 1.00 0.36 H new ATOM 0 HG22 THR A2068 -7.078 -7.598 -3.809 1.00 0.36 H new ATOM 0 HG23 THR A2068 -8.351 -6.397 -4.134 1.00 0.36 H new ATOM 226 N PHE A2069 -3.667 -5.300 -3.778 1.00 0.25 N ATOM 227 CA PHE A2069 -2.392 -4.820 -4.277 1.00 0.26 C ATOM 228 C PHE A2069 -2.366 -5.072 -5.770 1.00 0.27 C ATOM 229 O PHE A2069 -3.066 -5.973 -6.223 1.00 0.31 O ATOM 230 CB PHE A2069 -1.210 -5.509 -3.588 1.00 0.31 C ATOM 231 CG PHE A2069 -1.218 -5.373 -2.089 1.00 0.28 C ATOM 232 CD1 PHE A2069 -0.336 -6.102 -1.314 1.00 1.14 C ATOM 233 CD2 PHE A2069 -2.120 -4.533 -1.456 1.00 1.12 C ATOM 234 CE1 PHE A2069 -0.357 -5.994 0.059 1.00 1.16 C ATOM 235 CE2 PHE A2069 -2.141 -4.422 -0.086 1.00 1.15 C ATOM 236 CZ PHE A2069 -1.262 -5.154 0.672 1.00 0.42 C ATOM 0 H PHE A2069 -3.730 -6.312 -3.672 1.00 0.25 H new ATOM 0 HA PHE A2069 -2.291 -3.756 -4.061 1.00 0.26 H new ATOM 0 HB2 PHE A2069 -1.217 -6.568 -3.848 1.00 0.31 H new ATOM 0 HB3 PHE A2069 -0.281 -5.091 -3.977 1.00 0.31 H new ATOM 0 HD1 PHE A2069 0.375 -6.762 -1.789 1.00 1.14 H new ATOM 0 HD2 PHE A2069 -2.817 -3.957 -2.047 1.00 1.12 H new ATOM 0 HE1 PHE A2069 0.336 -6.568 0.656 1.00 1.16 H new ATOM 0 HE2 PHE A2069 -2.848 -3.760 0.393 1.00 1.15 H new ATOM 0 HZ PHE A2069 -1.279 -5.072 1.749 1.00 0.42 H new ATOM 246 N GLU A2070 -1.594 -4.310 -6.529 1.00 0.30 N ATOM 247 CA GLU A2070 -1.670 -4.377 -7.990 1.00 0.36 C ATOM 248 C GLU A2070 -1.477 -5.809 -8.504 1.00 0.36 C ATOM 249 O GLU A2070 -2.115 -6.222 -9.474 1.00 0.44 O ATOM 250 CB GLU A2070 -0.640 -3.450 -8.629 1.00 0.52 C ATOM 251 CG GLU A2070 -0.814 -3.318 -10.131 1.00 0.66 C ATOM 252 CD GLU A2070 0.288 -2.518 -10.781 1.00 1.36 C ATOM 253 OE1 GLU A2070 0.108 -1.300 -10.975 1.00 2.09 O ATOM 254 OE2 GLU A2070 1.341 -3.102 -11.104 1.00 2.01 O ATOM 0 H GLU A2070 -0.912 -3.643 -6.168 1.00 0.30 H new ATOM 0 HA GLU A2070 -2.669 -4.048 -8.276 1.00 0.36 H new ATOM 0 HB2 GLU A2070 -0.714 -2.463 -8.172 1.00 0.52 H new ATOM 0 HB3 GLU A2070 0.361 -3.826 -8.416 1.00 0.52 H new ATOM 0 HG2 GLU A2070 -0.846 -4.312 -10.577 1.00 0.66 H new ATOM 0 HG3 GLU A2070 -1.773 -2.844 -10.340 1.00 0.66 H new ATOM 261 N ASP A2071 -0.611 -6.567 -7.834 1.00 0.40 N ATOM 262 CA ASP A2071 -0.338 -7.956 -8.215 1.00 0.53 C ATOM 263 C ASP A2071 -1.436 -8.910 -7.748 1.00 0.50 C ATOM 264 O ASP A2071 -1.321 -10.128 -7.912 1.00 0.62 O ATOM 265 CB ASP A2071 1.006 -8.421 -7.647 1.00 0.69 C ATOM 266 CG ASP A2071 2.173 -8.097 -8.553 1.00 1.42 C ATOM 267 OD1 ASP A2071 2.937 -7.158 -8.244 1.00 2.06 O ATOM 268 OD2 ASP A2071 2.344 -8.796 -9.572 1.00 2.15 O ATOM 0 H ASP A2071 -0.084 -6.244 -7.023 1.00 0.40 H new ATOM 0 HA ASP A2071 -0.306 -7.979 -9.304 1.00 0.53 H new ATOM 0 HB2 ASP A2071 1.166 -7.952 -6.676 1.00 0.69 H new ATOM 0 HB3 ASP A2071 0.971 -9.497 -7.480 1.00 0.69 H new ATOM 273 N GLY A2072 -2.496 -8.361 -7.175 1.00 0.43 N ATOM 274 CA GLY A2072 -3.573 -9.179 -6.651 1.00 0.48 C ATOM 275 C GLY A2072 -3.242 -9.741 -5.285 1.00 0.48 C ATOM 276 O GLY A2072 -3.780 -10.767 -4.878 1.00 0.63 O ATOM 0 H GLY A2072 -2.631 -7.356 -7.062 1.00 0.43 H new ATOM 0 HA2 GLY A2072 -4.483 -8.583 -6.587 1.00 0.48 H new ATOM 0 HA3 GLY A2072 -3.776 -9.998 -7.341 1.00 0.48 H new ATOM 280 N SER A2073 -2.359 -9.058 -4.571 1.00 0.37 N ATOM 281 CA SER A2073 -1.896 -9.533 -3.274 1.00 0.38 C ATOM 282 C SER A2073 -2.726 -8.922 -2.144 1.00 0.35 C ATOM 283 O SER A2073 -3.339 -7.865 -2.315 1.00 0.38 O ATOM 284 CB SER A2073 -0.414 -9.189 -3.096 1.00 0.46 C ATOM 285 OG SER A2073 0.347 -9.616 -4.217 1.00 0.89 O ATOM 0 H SER A2073 -1.948 -8.173 -4.868 1.00 0.37 H new ATOM 0 HA SER A2073 -2.018 -10.615 -3.234 1.00 0.38 H new ATOM 0 HB2 SER A2073 -0.300 -8.113 -2.964 1.00 0.46 H new ATOM 0 HB3 SER A2073 -0.033 -9.663 -2.192 1.00 0.46 H new ATOM 0 HG SER A2073 1.289 -9.384 -4.080 1.00 0.89 H new ATOM 291 N LYS A2074 -2.754 -9.598 -0.999 1.00 0.35 N ATOM 292 CA LYS A2074 -3.504 -9.124 0.162 1.00 0.34 C ATOM 293 C LYS A2074 -2.578 -8.918 1.364 1.00 0.34 C ATOM 294 O LYS A2074 -3.027 -8.629 2.475 1.00 0.42 O ATOM 295 CB LYS A2074 -4.628 -10.110 0.503 1.00 0.39 C ATOM 296 CG LYS A2074 -6.033 -9.541 0.327 1.00 0.53 C ATOM 297 CD LYS A2074 -6.231 -8.905 -1.045 1.00 0.43 C ATOM 298 CE LYS A2074 -7.682 -8.505 -1.276 1.00 0.55 C ATOM 299 NZ LYS A2074 -8.547 -9.681 -1.552 1.00 1.13 N ATOM 0 H LYS A2074 -2.264 -10.480 -0.849 1.00 0.35 H new ATOM 0 HA LYS A2074 -3.950 -8.160 -0.084 1.00 0.34 H new ATOM 0 HB2 LYS A2074 -4.524 -10.994 -0.127 1.00 0.39 H new ATOM 0 HB3 LYS A2074 -4.508 -10.438 1.535 1.00 0.39 H new ATOM 0 HG2 LYS A2074 -6.765 -10.337 0.465 1.00 0.53 H new ATOM 0 HG3 LYS A2074 -6.221 -8.797 1.101 1.00 0.53 H new ATOM 0 HD2 LYS A2074 -5.593 -8.026 -1.134 1.00 0.43 H new ATOM 0 HD3 LYS A2074 -5.919 -9.606 -1.819 1.00 0.43 H new ATOM 0 HE2 LYS A2074 -8.057 -7.978 -0.399 1.00 0.55 H new ATOM 0 HE3 LYS A2074 -7.737 -7.810 -2.114 1.00 0.55 H new ATOM 0 HZ1 LYS A2074 -9.503 -9.357 -1.803 1.00 1.13 H new ATOM 0 HZ2 LYS A2074 -8.148 -10.228 -2.342 1.00 1.13 H new ATOM 0 HZ3 LYS A2074 -8.596 -10.282 -0.705 1.00 1.13 H new ATOM 313 N GLU A2075 -1.287 -9.090 1.131 1.00 0.33 N ATOM 314 CA GLU A2075 -0.255 -8.742 2.099 1.00 0.32 C ATOM 315 C GLU A2075 1.090 -8.724 1.405 1.00 0.34 C ATOM 316 O GLU A2075 1.359 -9.549 0.534 1.00 0.47 O ATOM 317 CB GLU A2075 -0.217 -9.722 3.282 1.00 0.36 C ATOM 318 CG GLU A2075 1.117 -9.754 4.014 1.00 0.91 C ATOM 319 CD GLU A2075 1.362 -11.060 4.735 1.00 1.40 C ATOM 320 OE1 GLU A2075 0.968 -11.182 5.914 1.00 2.08 O ATOM 321 OE2 GLU A2075 1.964 -11.971 4.129 1.00 1.88 O ATOM 0 H GLU A2075 -0.922 -9.477 0.261 1.00 0.33 H new ATOM 0 HA GLU A2075 -0.489 -7.756 2.501 1.00 0.32 H new ATOM 0 HB2 GLU A2075 -1.002 -9.453 3.989 1.00 0.36 H new ATOM 0 HB3 GLU A2075 -0.445 -10.724 2.918 1.00 0.36 H new ATOM 0 HG2 GLU A2075 1.922 -9.583 3.299 1.00 0.91 H new ATOM 0 HG3 GLU A2075 1.150 -8.936 4.733 1.00 0.91 H new ATOM 328 N LYS A2076 1.919 -7.766 1.765 1.00 0.35 N ATOM 329 CA LYS A2076 3.271 -7.724 1.259 1.00 0.38 C ATOM 330 C LYS A2076 4.227 -7.339 2.365 1.00 0.37 C ATOM 331 O LYS A2076 4.284 -6.176 2.765 1.00 0.37 O ATOM 332 CB LYS A2076 3.402 -6.733 0.108 1.00 0.44 C ATOM 333 CG LYS A2076 4.774 -6.765 -0.542 1.00 0.88 C ATOM 334 CD LYS A2076 5.021 -8.082 -1.259 1.00 0.91 C ATOM 335 CE LYS A2076 6.476 -8.505 -1.157 1.00 0.88 C ATOM 336 NZ LYS A2076 6.757 -9.728 -1.953 1.00 1.48 N ATOM 0 H LYS A2076 1.679 -7.009 2.405 1.00 0.35 H new ATOM 0 HA LYS A2076 3.518 -8.718 0.888 1.00 0.38 H new ATOM 0 HB2 LYS A2076 2.644 -6.953 -0.643 1.00 0.44 H new ATOM 0 HB3 LYS A2076 3.203 -5.727 0.476 1.00 0.44 H new ATOM 0 HG2 LYS A2076 4.861 -5.942 -1.251 1.00 0.88 H new ATOM 0 HG3 LYS A2076 5.541 -6.614 0.218 1.00 0.88 H new ATOM 0 HD2 LYS A2076 4.385 -8.856 -0.830 1.00 0.91 H new ATOM 0 HD3 LYS A2076 4.742 -7.985 -2.308 1.00 0.91 H new ATOM 0 HE2 LYS A2076 7.115 -7.692 -1.503 1.00 0.88 H new ATOM 0 HE3 LYS A2076 6.729 -8.686 -0.112 1.00 0.88 H new ATOM 0 HZ1 LYS A2076 7.761 -9.982 -1.856 1.00 1.48 H new ATOM 0 HZ2 LYS A2076 6.166 -10.511 -1.607 1.00 1.48 H new ATOM 0 HZ3 LYS A2076 6.541 -9.548 -2.954 1.00 1.48 H new ATOM 350 N THR A2077 4.948 -8.313 2.876 1.00 0.45 N ATOM 351 CA THR A2077 5.978 -8.039 3.846 1.00 0.47 C ATOM 352 C THR A2077 7.342 -8.068 3.186 1.00 0.52 C ATOM 353 O THR A2077 7.759 -9.085 2.631 1.00 0.63 O ATOM 354 CB THR A2077 5.960 -9.036 5.014 1.00 0.50 C ATOM 355 OG1 THR A2077 4.659 -9.061 5.617 1.00 0.48 O ATOM 356 CG2 THR A2077 6.998 -8.642 6.053 1.00 0.55 C ATOM 0 H THR A2077 4.838 -9.298 2.635 1.00 0.45 H new ATOM 0 HA THR A2077 5.777 -7.046 4.249 1.00 0.47 H new ATOM 0 HB THR A2077 6.197 -10.029 4.632 1.00 0.50 H new ATOM 0 HG1 THR A2077 4.655 -9.700 6.360 1.00 0.48 H new ATOM 0 HG21 THR A2077 6.977 -9.355 6.877 1.00 0.55 H new ATOM 0 HG22 THR A2077 7.988 -8.643 5.597 1.00 0.55 H new ATOM 0 HG23 THR A2077 6.774 -7.644 6.431 1.00 0.55 H new ATOM 364 N ILE A2078 8.013 -6.938 3.223 1.00 0.51 N ATOM 365 CA ILE A2078 9.363 -6.836 2.717 1.00 0.60 C ATOM 366 C ILE A2078 10.284 -6.474 3.874 1.00 0.60 C ATOM 367 O ILE A2078 10.083 -5.448 4.520 1.00 0.53 O ATOM 368 CB ILE A2078 9.456 -5.782 1.594 1.00 0.67 C ATOM 369 CG1 ILE A2078 8.530 -6.169 0.438 1.00 0.75 C ATOM 370 CG2 ILE A2078 10.891 -5.642 1.106 1.00 0.80 C ATOM 371 CD1 ILE A2078 8.289 -5.052 -0.551 1.00 1.62 C ATOM 0 H ILE A2078 7.640 -6.068 3.603 1.00 0.51 H new ATOM 0 HA ILE A2078 9.665 -7.791 2.288 1.00 0.60 H new ATOM 0 HB ILE A2078 9.139 -4.818 1.991 1.00 0.67 H new ATOM 0 HG12 ILE A2078 8.959 -7.022 -0.089 1.00 0.75 H new ATOM 0 HG13 ILE A2078 7.573 -6.494 0.845 1.00 0.75 H new ATOM 0 HG21 ILE A2078 10.935 -4.894 0.314 1.00 0.80 H new ATOM 0 HG22 ILE A2078 11.528 -5.332 1.934 1.00 0.80 H new ATOM 0 HG23 ILE A2078 11.239 -6.600 0.720 1.00 0.80 H new ATOM 0 HD11 ILE A2078 7.624 -5.402 -1.340 1.00 1.62 H new ATOM 0 HD12 ILE A2078 7.831 -4.206 -0.039 1.00 1.62 H new ATOM 0 HD13 ILE A2078 9.238 -4.741 -0.988 1.00 1.62 H new ATOM 383 N PRO A2079 11.273 -7.337 4.168 1.00 0.72 N ATOM 384 CA PRO A2079 12.161 -7.188 5.331 1.00 0.79 C ATOM 385 C PRO A2079 12.720 -5.777 5.493 1.00 0.74 C ATOM 386 O PRO A2079 13.544 -5.323 4.696 1.00 0.76 O ATOM 387 CB PRO A2079 13.287 -8.177 5.036 1.00 0.94 C ATOM 388 CG PRO A2079 12.650 -9.235 4.209 1.00 0.98 C ATOM 389 CD PRO A2079 11.601 -8.542 3.382 1.00 0.85 C ATOM 0 HA PRO A2079 11.630 -7.375 6.264 1.00 0.79 H new ATOM 0 HB2 PRO A2079 14.107 -7.696 4.502 1.00 0.94 H new ATOM 0 HB3 PRO A2079 13.703 -8.589 5.955 1.00 0.94 H new ATOM 0 HG2 PRO A2079 13.385 -9.728 3.573 1.00 0.98 H new ATOM 0 HG3 PRO A2079 12.204 -10.006 4.838 1.00 0.98 H new ATOM 0 HD2 PRO A2079 11.978 -8.284 2.392 1.00 0.85 H new ATOM 0 HD3 PRO A2079 10.725 -9.174 3.235 1.00 0.85 H new ATOM 397 N GLY A2080 12.252 -5.085 6.524 1.00 0.73 N ATOM 398 CA GLY A2080 12.750 -3.757 6.823 1.00 0.76 C ATOM 399 C GLY A2080 11.928 -2.664 6.170 1.00 0.70 C ATOM 400 O GLY A2080 12.061 -1.492 6.519 1.00 0.94 O ATOM 0 H GLY A2080 11.532 -5.423 7.162 1.00 0.73 H new ATOM 0 HA2 GLY A2080 12.752 -3.609 7.903 1.00 0.76 H new ATOM 0 HA3 GLY A2080 13.784 -3.677 6.488 1.00 0.76 H new ATOM 404 N GLN A2081 11.069 -3.050 5.237 1.00 0.54 N ATOM 405 CA GLN A2081 10.260 -2.093 4.493 1.00 0.53 C ATOM 406 C GLN A2081 8.845 -2.054 5.053 1.00 0.50 C ATOM 407 O GLN A2081 8.136 -1.060 4.920 1.00 0.57 O ATOM 408 CB GLN A2081 10.231 -2.477 3.015 1.00 0.57 C ATOM 409 CG GLN A2081 9.462 -1.508 2.128 1.00 0.95 C ATOM 410 CD GLN A2081 9.468 -1.924 0.667 1.00 1.09 C ATOM 411 OE1 GLN A2081 10.413 -2.549 0.190 1.00 2.02 O ATOM 412 NE2 GLN A2081 8.411 -1.580 -0.055 1.00 0.87 N ATOM 0 H GLN A2081 10.914 -4.024 4.976 1.00 0.54 H new ATOM 0 HA GLN A2081 10.702 -1.102 4.593 1.00 0.53 H new ATOM 0 HB2 GLN A2081 11.256 -2.549 2.651 1.00 0.57 H new ATOM 0 HB3 GLN A2081 9.788 -3.468 2.918 1.00 0.57 H new ATOM 0 HG2 GLN A2081 8.432 -1.439 2.478 1.00 0.95 H new ATOM 0 HG3 GLN A2081 9.897 -0.513 2.221 1.00 0.95 H new ATOM 0 HE21 GLN A2081 7.646 -1.061 0.376 1.00 0.87 H new ATOM 0 HE22 GLN A2081 8.363 -1.834 -1.042 1.00 0.87 H new ATOM 421 N GLY A2082 8.431 -3.155 5.655 1.00 0.47 N ATOM 422 CA GLY A2082 7.158 -3.183 6.342 1.00 0.50 C ATOM 423 C GLY A2082 6.151 -4.087 5.671 1.00 0.40 C ATOM 424 O GLY A2082 6.512 -4.932 4.848 1.00 0.45 O ATOM 0 H GLY A2082 8.953 -4.031 5.681 1.00 0.47 H new ATOM 0 HA2 GLY A2082 7.311 -3.516 7.368 1.00 0.50 H new ATOM 0 HA3 GLY A2082 6.755 -2.172 6.392 1.00 0.50 H new ATOM 428 N THR A2083 4.886 -3.919 6.032 1.00 0.33 N ATOM 429 CA THR A2083 3.815 -4.704 5.451 1.00 0.29 C ATOM 430 C THR A2083 2.616 -3.821 5.135 1.00 0.25 C ATOM 431 O THR A2083 2.334 -2.834 5.824 1.00 0.30 O ATOM 432 CB THR A2083 3.360 -5.847 6.394 1.00 0.36 C ATOM 433 OG1 THR A2083 4.494 -6.620 6.805 1.00 0.49 O ATOM 434 CG2 THR A2083 2.341 -6.767 5.713 1.00 0.36 C ATOM 0 H THR A2083 4.579 -3.241 6.729 1.00 0.33 H new ATOM 0 HA THR A2083 4.207 -5.144 4.534 1.00 0.29 H new ATOM 0 HB THR A2083 2.884 -5.391 7.262 1.00 0.36 H new ATOM 0 HG1 THR A2083 4.429 -7.522 6.428 1.00 0.49 H new ATOM 0 HG21 THR A2083 2.045 -7.556 6.404 1.00 0.36 H new ATOM 0 HG22 THR A2083 1.463 -6.188 5.426 1.00 0.36 H new ATOM 0 HG23 THR A2083 2.789 -7.212 4.825 1.00 0.36 H new ATOM 442 N TYR A2084 1.941 -4.156 4.063 1.00 0.28 N ATOM 443 CA TYR A2084 0.639 -3.601 3.792 1.00 0.34 C ATOM 444 C TYR A2084 -0.375 -4.707 4.047 1.00 0.32 C ATOM 445 O TYR A2084 -0.366 -5.725 3.359 1.00 0.29 O ATOM 446 CB TYR A2084 0.563 -3.099 2.347 1.00 0.43 C ATOM 447 CG TYR A2084 1.804 -2.355 1.899 1.00 0.44 C ATOM 448 CD1 TYR A2084 2.711 -2.951 1.031 1.00 1.13 C ATOM 449 CD2 TYR A2084 2.073 -1.067 2.344 1.00 1.38 C ATOM 450 CE1 TYR A2084 3.848 -2.287 0.621 1.00 1.15 C ATOM 451 CE2 TYR A2084 3.211 -0.396 1.936 1.00 1.44 C ATOM 452 CZ TYR A2084 4.094 -1.011 1.075 1.00 0.62 C ATOM 453 OH TYR A2084 5.227 -0.349 0.666 1.00 0.76 O ATOM 0 H TYR A2084 2.275 -4.815 3.360 1.00 0.28 H new ATOM 0 HA TYR A2084 0.434 -2.744 4.434 1.00 0.34 H new ATOM 0 HB2 TYR A2084 0.399 -3.948 1.684 1.00 0.43 H new ATOM 0 HB3 TYR A2084 -0.301 -2.443 2.244 1.00 0.43 H new ATOM 0 HD1 TYR A2084 2.522 -3.952 0.671 1.00 1.13 H new ATOM 0 HD2 TYR A2084 1.383 -0.582 3.019 1.00 1.38 H new ATOM 0 HE1 TYR A2084 4.542 -2.766 -0.053 1.00 1.15 H new ATOM 0 HE2 TYR A2084 3.407 0.605 2.290 1.00 1.44 H new ATOM 0 HH TYR A2084 4.974 0.432 0.131 1.00 0.76 H new ATOM 463 N THR A2085 -1.192 -4.550 5.074 1.00 0.39 N ATOM 464 CA THR A2085 -2.102 -5.614 5.470 1.00 0.40 C ATOM 465 C THR A2085 -3.533 -5.308 5.057 1.00 0.41 C ATOM 466 O THR A2085 -4.017 -4.185 5.233 1.00 0.49 O ATOM 467 CB THR A2085 -2.045 -5.869 6.988 1.00 0.46 C ATOM 468 OG1 THR A2085 -2.189 -4.637 7.701 1.00 0.63 O ATOM 469 CG2 THR A2085 -0.735 -6.535 7.377 1.00 0.57 C ATOM 0 H THR A2085 -1.245 -3.706 5.644 1.00 0.39 H new ATOM 0 HA THR A2085 -1.775 -6.515 4.951 1.00 0.40 H new ATOM 0 HB THR A2085 -2.866 -6.536 7.250 1.00 0.46 H new ATOM 0 HG1 THR A2085 -2.153 -4.811 8.665 1.00 0.63 H new ATOM 0 HG21 THR A2085 -0.719 -6.705 8.454 1.00 0.57 H new ATOM 0 HG22 THR A2085 -0.644 -7.489 6.858 1.00 0.57 H new ATOM 0 HG23 THR A2085 0.098 -5.889 7.099 1.00 0.57 H new ATOM 477 N ILE A2086 -4.197 -6.307 4.495 1.00 0.39 N ATOM 478 CA ILE A2086 -5.570 -6.157 4.055 1.00 0.40 C ATOM 479 C ILE A2086 -6.323 -7.484 4.115 1.00 0.45 C ATOM 480 O ILE A2086 -5.837 -8.508 3.632 1.00 0.55 O ATOM 481 CB ILE A2086 -5.648 -5.567 2.625 1.00 0.47 C ATOM 482 CG1 ILE A2086 -7.025 -5.798 2.009 1.00 0.56 C ATOM 483 CG2 ILE A2086 -4.569 -6.142 1.724 1.00 0.57 C ATOM 484 CD1 ILE A2086 -7.146 -5.238 0.620 1.00 1.18 C ATOM 0 H ILE A2086 -3.802 -7.233 4.334 1.00 0.39 H new ATOM 0 HA ILE A2086 -6.047 -5.457 4.741 1.00 0.40 H new ATOM 0 HB ILE A2086 -5.481 -4.493 2.712 1.00 0.47 H new ATOM 0 HG12 ILE A2086 -7.231 -6.868 1.983 1.00 0.56 H new ATOM 0 HG13 ILE A2086 -7.783 -5.343 2.646 1.00 0.56 H new ATOM 0 HG21 ILE A2086 -4.655 -5.705 0.729 1.00 0.57 H new ATOM 0 HG22 ILE A2086 -3.588 -5.911 2.138 1.00 0.57 H new ATOM 0 HG23 ILE A2086 -4.689 -7.223 1.657 1.00 0.57 H new ATOM 0 HD11 ILE A2086 -8.147 -5.433 0.235 1.00 1.18 H new ATOM 0 HD12 ILE A2086 -6.970 -4.163 0.645 1.00 1.18 H new ATOM 0 HD13 ILE A2086 -6.409 -5.711 -0.029 1.00 1.18 H new ATOM 496 N VAL A2087 -7.503 -7.460 4.724 1.00 0.49 N ATOM 497 CA VAL A2087 -8.366 -8.631 4.765 1.00 0.59 C ATOM 498 C VAL A2087 -9.650 -8.348 3.986 1.00 0.58 C ATOM 499 O VAL A2087 -10.022 -7.186 3.795 1.00 0.53 O ATOM 500 CB VAL A2087 -8.706 -9.061 6.214 1.00 0.73 C ATOM 501 CG1 VAL A2087 -7.436 -9.301 7.014 1.00 0.78 C ATOM 502 CG2 VAL A2087 -9.596 -8.039 6.902 1.00 0.80 C ATOM 0 H VAL A2087 -7.883 -6.640 5.197 1.00 0.49 H new ATOM 0 HA VAL A2087 -7.825 -9.457 4.304 1.00 0.59 H new ATOM 0 HB VAL A2087 -9.261 -9.998 6.162 1.00 0.73 H new ATOM 0 HG11 VAL A2087 -7.697 -9.602 8.029 1.00 0.78 H new ATOM 0 HG12 VAL A2087 -6.851 -10.090 6.540 1.00 0.78 H new ATOM 0 HG13 VAL A2087 -6.848 -8.384 7.047 1.00 0.78 H new ATOM 0 HG21 VAL A2087 -9.815 -8.372 7.917 1.00 0.80 H new ATOM 0 HG22 VAL A2087 -9.085 -7.077 6.938 1.00 0.80 H new ATOM 0 HG23 VAL A2087 -10.527 -7.934 6.345 1.00 0.80 H new ATOM 512 N PRO A2088 -10.342 -9.411 3.526 1.00 0.66 N ATOM 513 CA PRO A2088 -11.512 -9.302 2.631 1.00 0.68 C ATOM 514 C PRO A2088 -12.703 -8.568 3.246 1.00 0.66 C ATOM 515 O PRO A2088 -13.739 -8.410 2.597 1.00 0.69 O ATOM 516 CB PRO A2088 -11.896 -10.761 2.350 1.00 0.81 C ATOM 517 CG PRO A2088 -10.692 -11.560 2.710 1.00 0.97 C ATOM 518 CD PRO A2088 -10.038 -10.819 3.837 1.00 0.78 C ATOM 0 HA PRO A2088 -11.257 -8.719 1.746 1.00 0.68 H new ATOM 0 HB2 PRO A2088 -12.760 -11.062 2.943 1.00 0.81 H new ATOM 0 HB3 PRO A2088 -12.164 -10.903 1.303 1.00 0.81 H new ATOM 0 HG2 PRO A2088 -10.968 -12.570 3.013 1.00 0.97 H new ATOM 0 HG3 PRO A2088 -10.017 -11.656 1.860 1.00 0.97 H new ATOM 0 HD2 PRO A2088 -10.443 -11.116 4.804 1.00 0.78 H new ATOM 0 HD3 PRO A2088 -8.964 -11.002 3.872 1.00 0.78 H new ATOM 526 N ASP A2089 -12.561 -8.131 4.489 1.00 0.67 N ATOM 527 CA ASP A2089 -13.603 -7.359 5.153 1.00 0.73 C ATOM 528 C ASP A2089 -13.572 -5.917 4.664 1.00 0.66 C ATOM 529 O ASP A2089 -14.570 -5.202 4.721 1.00 0.73 O ATOM 530 CB ASP A2089 -13.408 -7.400 6.670 1.00 0.85 C ATOM 531 CG ASP A2089 -14.555 -6.757 7.422 1.00 1.59 C ATOM 532 OD1 ASP A2089 -15.532 -7.470 7.738 1.00 2.29 O ATOM 533 OD2 ASP A2089 -14.482 -5.544 7.711 1.00 2.26 O ATOM 0 H ASP A2089 -11.732 -8.298 5.060 1.00 0.67 H new ATOM 0 HA ASP A2089 -14.572 -7.797 4.912 1.00 0.73 H new ATOM 0 HB2 ASP A2089 -13.303 -8.436 6.991 1.00 0.85 H new ATOM 0 HB3 ASP A2089 -12.479 -6.891 6.927 1.00 0.85 H new ATOM 538 N GLY A2090 -12.415 -5.507 4.164 1.00 0.59 N ATOM 539 CA GLY A2090 -12.249 -4.146 3.701 1.00 0.63 C ATOM 540 C GLY A2090 -11.285 -3.363 4.566 1.00 0.70 C ATOM 541 O GLY A2090 -11.261 -2.133 4.523 1.00 0.83 O ATOM 0 H GLY A2090 -11.587 -6.095 4.071 1.00 0.59 H new ATOM 0 HA2 GLY A2090 -11.887 -4.155 2.673 1.00 0.63 H new ATOM 0 HA3 GLY A2090 -13.217 -3.646 3.694 1.00 0.63 H new ATOM 545 N THR A2091 -10.488 -4.071 5.356 1.00 0.70 N ATOM 546 CA THR A2091 -9.510 -3.426 6.215 1.00 0.79 C ATOM 547 C THR A2091 -8.191 -3.290 5.465 1.00 0.60 C ATOM 548 O THR A2091 -7.588 -4.291 5.080 1.00 0.59 O ATOM 549 CB THR A2091 -9.278 -4.226 7.526 1.00 1.05 C ATOM 550 OG1 THR A2091 -8.345 -5.291 7.306 1.00 1.51 O ATOM 551 CG2 THR A2091 -10.581 -4.819 8.037 1.00 0.86 C ATOM 0 H THR A2091 -10.501 -5.089 5.418 1.00 0.70 H new ATOM 0 HA THR A2091 -9.896 -2.443 6.486 1.00 0.79 H new ATOM 0 HB THR A2091 -8.880 -3.533 8.267 1.00 1.05 H new ATOM 0 HG1 THR A2091 -7.881 -5.149 6.455 1.00 1.51 H new ATOM 0 HG21 THR A2091 -10.392 -5.374 8.956 1.00 0.86 H new ATOM 0 HG22 THR A2091 -11.292 -4.017 8.237 1.00 0.86 H new ATOM 0 HG23 THR A2091 -10.994 -5.491 7.285 1.00 0.86 H new ATOM 559 N VAL A2092 -7.757 -2.065 5.219 1.00 0.60 N ATOM 560 CA VAL A2092 -6.502 -1.847 4.518 1.00 0.54 C ATOM 561 C VAL A2092 -5.704 -0.750 5.197 1.00 0.55 C ATOM 562 O VAL A2092 -6.243 0.309 5.513 1.00 0.78 O ATOM 563 CB VAL A2092 -6.708 -1.448 3.040 1.00 0.79 C ATOM 564 CG1 VAL A2092 -5.413 -1.618 2.259 1.00 1.02 C ATOM 565 CG2 VAL A2092 -7.832 -2.243 2.399 1.00 1.18 C ATOM 0 H VAL A2092 -8.249 -1.214 5.491 1.00 0.60 H new ATOM 0 HA VAL A2092 -5.965 -2.795 4.549 1.00 0.54 H new ATOM 0 HB VAL A2092 -6.995 -0.397 3.015 1.00 0.79 H new ATOM 0 HG11 VAL A2092 -5.575 -1.333 1.220 1.00 1.02 H new ATOM 0 HG12 VAL A2092 -4.640 -0.984 2.693 1.00 1.02 H new ATOM 0 HG13 VAL A2092 -5.095 -2.660 2.304 1.00 1.02 H new ATOM 0 HG21 VAL A2092 -7.948 -1.936 1.360 1.00 1.18 H new ATOM 0 HG22 VAL A2092 -7.594 -3.306 2.439 1.00 1.18 H new ATOM 0 HG23 VAL A2092 -8.761 -2.059 2.938 1.00 1.18 H new ATOM 575 N THR A2093 -4.430 -1.007 5.426 1.00 0.47 N ATOM 576 CA THR A2093 -3.555 -0.009 6.002 1.00 0.53 C ATOM 577 C THR A2093 -2.209 -0.008 5.282 1.00 0.44 C ATOM 578 O THR A2093 -1.537 -1.038 5.173 1.00 0.41 O ATOM 579 CB THR A2093 -3.367 -0.229 7.523 1.00 0.71 C ATOM 580 OG1 THR A2093 -2.502 0.769 8.076 1.00 1.46 O ATOM 581 CG2 THR A2093 -2.807 -1.609 7.822 1.00 0.71 C ATOM 0 H THR A2093 -3.980 -1.899 5.221 1.00 0.47 H new ATOM 0 HA THR A2093 -4.023 0.967 5.870 1.00 0.53 H new ATOM 0 HB THR A2093 -4.351 -0.149 7.985 1.00 0.71 H new ATOM 0 HG1 THR A2093 -1.572 0.465 8.017 1.00 1.46 H new ATOM 0 HG21 THR A2093 -2.688 -1.728 8.899 1.00 0.71 H new ATOM 0 HG22 THR A2093 -3.492 -2.369 7.446 1.00 0.71 H new ATOM 0 HG23 THR A2093 -1.838 -1.722 7.336 1.00 0.71 H new ATOM 589 N PHE A2094 -1.841 1.145 4.747 1.00 0.46 N ATOM 590 CA PHE A2094 -0.578 1.288 4.046 1.00 0.42 C ATOM 591 C PHE A2094 0.515 1.615 5.056 1.00 0.43 C ATOM 592 O PHE A2094 0.654 2.772 5.458 1.00 0.52 O ATOM 593 CB PHE A2094 -0.656 2.413 2.988 1.00 0.51 C ATOM 594 CG PHE A2094 -1.662 2.199 1.875 1.00 0.47 C ATOM 595 CD1 PHE A2094 -1.663 3.025 0.752 1.00 1.21 C ATOM 596 CD2 PHE A2094 -2.606 1.185 1.941 1.00 1.26 C ATOM 597 CE1 PHE A2094 -2.573 2.836 -0.262 1.00 1.23 C ATOM 598 CE2 PHE A2094 -3.518 0.999 0.925 1.00 1.27 C ATOM 599 CZ PHE A2094 -3.501 1.826 -0.177 1.00 0.55 C ATOM 0 H PHE A2094 -2.401 1.996 4.786 1.00 0.46 H new ATOM 0 HA PHE A2094 -0.353 0.352 3.534 1.00 0.42 H new ATOM 0 HB2 PHE A2094 -0.896 3.348 3.495 1.00 0.51 H new ATOM 0 HB3 PHE A2094 0.331 2.536 2.542 1.00 0.51 H new ATOM 0 HD1 PHE A2094 -0.940 3.824 0.677 1.00 1.21 H new ATOM 0 HD2 PHE A2094 -2.627 0.532 2.801 1.00 1.26 H new ATOM 0 HE1 PHE A2094 -2.558 3.483 -1.127 1.00 1.23 H new ATOM 0 HE2 PHE A2094 -4.247 0.205 0.992 1.00 1.27 H new ATOM 0 HZ PHE A2094 -4.216 1.681 -0.973 1.00 0.55 H new ATOM 609 N THR A2095 1.289 0.620 5.488 1.00 0.37 N ATOM 610 CA THR A2095 2.339 0.893 6.455 1.00 0.39 C ATOM 611 C THR A2095 3.714 0.496 5.919 1.00 0.37 C ATOM 612 O THR A2095 4.207 -0.605 6.175 1.00 0.37 O ATOM 613 CB THR A2095 2.060 0.153 7.779 1.00 0.47 C ATOM 614 OG1 THR A2095 0.700 0.381 8.182 1.00 0.58 O ATOM 615 CG2 THR A2095 2.997 0.630 8.878 1.00 0.58 C ATOM 0 H THR A2095 1.210 -0.353 5.192 1.00 0.37 H new ATOM 0 HA THR A2095 2.343 1.968 6.638 1.00 0.39 H new ATOM 0 HB THR A2095 2.227 -0.912 7.617 1.00 0.47 H new ATOM 0 HG1 THR A2095 0.524 -0.091 9.022 1.00 0.58 H new ATOM 0 HG21 THR A2095 2.779 0.092 9.801 1.00 0.58 H new ATOM 0 HG22 THR A2095 4.029 0.441 8.583 1.00 0.58 H new ATOM 0 HG23 THR A2095 2.855 1.699 9.039 1.00 0.58 H new ATOM 623 N PRO A2096 4.347 1.396 5.154 1.00 0.50 N ATOM 624 CA PRO A2096 5.729 1.256 4.741 1.00 0.61 C ATOM 625 C PRO A2096 6.683 1.968 5.696 1.00 0.69 C ATOM 626 O PRO A2096 6.334 2.990 6.293 1.00 0.81 O ATOM 627 CB PRO A2096 5.735 1.931 3.374 1.00 0.88 C ATOM 628 CG PRO A2096 4.658 2.971 3.437 1.00 0.98 C ATOM 629 CD PRO A2096 3.750 2.619 4.593 1.00 0.69 C ATOM 0 HA PRO A2096 6.064 0.219 4.726 1.00 0.61 H new ATOM 0 HB2 PRO A2096 6.705 2.382 3.163 1.00 0.88 H new ATOM 0 HB3 PRO A2096 5.539 1.211 2.580 1.00 0.88 H new ATOM 0 HG2 PRO A2096 5.090 3.962 3.577 1.00 0.98 H new ATOM 0 HG3 PRO A2096 4.096 2.998 2.503 1.00 0.98 H new ATOM 0 HD2 PRO A2096 3.714 3.420 5.331 1.00 0.69 H new ATOM 0 HD3 PRO A2096 2.727 2.447 4.259 1.00 0.69 H new ATOM 637 N ASP A2097 7.876 1.424 5.850 1.00 0.89 N ATOM 638 CA ASP A2097 8.927 2.106 6.583 1.00 1.14 C ATOM 639 C ASP A2097 9.557 3.158 5.690 1.00 1.37 C ATOM 640 O ASP A2097 10.551 2.907 5.017 1.00 1.39 O ATOM 641 CB ASP A2097 9.989 1.124 7.082 1.00 1.24 C ATOM 642 CG ASP A2097 9.556 0.390 8.332 1.00 2.06 C ATOM 643 OD1 ASP A2097 9.750 0.935 9.443 1.00 2.61 O ATOM 644 OD2 ASP A2097 9.018 -0.728 8.218 1.00 2.72 O ATOM 0 H ASP A2097 8.142 0.512 5.478 1.00 0.89 H new ATOM 0 HA ASP A2097 8.487 2.583 7.459 1.00 1.14 H new ATOM 0 HB2 ASP A2097 10.208 0.400 6.297 1.00 1.24 H new ATOM 0 HB3 ASP A2097 10.914 1.665 7.284 1.00 1.24 H new ATOM 649 N LYS A2098 8.955 4.336 5.686 1.00 1.89 N ATOM 650 CA LYS A2098 9.371 5.423 4.809 1.00 2.37 C ATOM 651 C LYS A2098 10.787 5.869 5.132 1.00 2.32 C ATOM 652 O LYS A2098 11.485 6.430 4.290 1.00 2.66 O ATOM 653 CB LYS A2098 8.423 6.608 4.966 1.00 3.03 C ATOM 654 CG LYS A2098 6.957 6.231 4.859 1.00 3.48 C ATOM 655 CD LYS A2098 6.060 7.447 5.002 1.00 4.03 C ATOM 656 CE LYS A2098 6.153 8.061 6.389 1.00 4.43 C ATOM 657 NZ LYS A2098 5.350 9.306 6.496 1.00 4.81 N ATOM 0 H LYS A2098 8.165 4.567 6.289 1.00 1.89 H new ATOM 0 HA LYS A2098 9.343 5.060 3.782 1.00 2.37 H new ATOM 0 HB2 LYS A2098 8.599 7.078 5.934 1.00 3.03 H new ATOM 0 HB3 LYS A2098 8.655 7.352 4.204 1.00 3.03 H new ATOM 0 HG2 LYS A2098 6.772 5.752 3.897 1.00 3.48 H new ATOM 0 HG3 LYS A2098 6.710 5.502 5.631 1.00 3.48 H new ATOM 0 HD2 LYS A2098 6.337 8.192 4.256 1.00 4.03 H new ATOM 0 HD3 LYS A2098 5.028 7.162 4.800 1.00 4.03 H new ATOM 0 HE2 LYS A2098 5.806 7.340 7.130 1.00 4.43 H new ATOM 0 HE3 LYS A2098 7.195 8.280 6.621 1.00 4.43 H new ATOM 0 HZ1 LYS A2098 5.439 9.695 7.456 1.00 4.81 H new ATOM 0 HZ2 LYS A2098 5.697 10.003 5.807 1.00 4.81 H new ATOM 0 HZ3 LYS A2098 4.351 9.093 6.300 1.00 4.81 H new ATOM 671 N GLN A2099 11.203 5.615 6.357 1.00 2.03 N ATOM 672 CA GLN A2099 12.508 6.045 6.827 1.00 2.09 C ATOM 673 C GLN A2099 13.534 4.920 6.703 1.00 1.67 C ATOM 674 O GLN A2099 14.638 4.999 7.249 1.00 1.81 O ATOM 675 CB GLN A2099 12.385 6.524 8.269 1.00 2.41 C ATOM 676 CG GLN A2099 11.326 7.604 8.429 1.00 2.99 C ATOM 677 CD GLN A2099 11.665 8.881 7.678 1.00 3.86 C ATOM 678 OE1 GLN A2099 10.776 9.568 7.172 1.00 4.40 O ATOM 679 NE2 GLN A2099 12.943 9.220 7.624 1.00 4.42 N ATOM 0 H GLN A2099 10.652 5.109 7.051 1.00 2.03 H new ATOM 0 HA GLN A2099 12.861 6.869 6.206 1.00 2.09 H new ATOM 0 HB2 GLN A2099 12.138 5.678 8.911 1.00 2.41 H new ATOM 0 HB3 GLN A2099 13.348 6.909 8.605 1.00 2.41 H new ATOM 0 HG2 GLN A2099 10.369 7.223 8.073 1.00 2.99 H new ATOM 0 HG3 GLN A2099 11.205 7.833 9.488 1.00 2.99 H new ATOM 0 HE21 GLN A2099 13.648 8.623 8.056 1.00 4.42 H new ATOM 0 HE22 GLN A2099 13.223 10.079 7.150 1.00 4.42 H new ATOM 688 N PHE A2100 13.163 3.882 5.970 1.00 1.40 N ATOM 689 CA PHE A2100 14.053 2.764 5.704 1.00 1.20 C ATOM 690 C PHE A2100 14.964 3.079 4.524 1.00 1.31 C ATOM 691 O PHE A2100 14.535 3.063 3.368 1.00 1.72 O ATOM 692 CB PHE A2100 13.232 1.497 5.429 1.00 1.32 C ATOM 693 CG PHE A2100 14.016 0.357 4.839 1.00 1.46 C ATOM 694 CD1 PHE A2100 13.756 -0.078 3.546 1.00 1.93 C ATOM 695 CD2 PHE A2100 15.005 -0.281 5.569 1.00 2.04 C ATOM 696 CE1 PHE A2100 14.468 -1.126 2.997 1.00 2.23 C ATOM 697 CE2 PHE A2100 15.718 -1.330 5.024 1.00 2.36 C ATOM 698 CZ PHE A2100 15.450 -1.753 3.736 1.00 2.18 C ATOM 0 H PHE A2100 12.240 3.791 5.545 1.00 1.40 H new ATOM 0 HA PHE A2100 14.678 2.593 6.581 1.00 1.20 H new ATOM 0 HB2 PHE A2100 12.779 1.164 6.363 1.00 1.32 H new ATOM 0 HB3 PHE A2100 12.416 1.749 4.751 1.00 1.32 H new ATOM 0 HD1 PHE A2100 12.988 0.409 2.963 1.00 1.93 H new ATOM 0 HD2 PHE A2100 15.221 0.046 6.576 1.00 2.04 H new ATOM 0 HE1 PHE A2100 14.256 -1.455 1.990 1.00 2.23 H new ATOM 0 HE2 PHE A2100 16.486 -1.820 5.604 1.00 2.36 H new ATOM 0 HZ PHE A2100 16.008 -2.573 3.309 1.00 2.18 H new ATOM 708 N VAL A2101 16.216 3.389 4.812 1.00 1.55 N ATOM 709 CA VAL A2101 17.187 3.608 3.760 1.00 1.92 C ATOM 710 C VAL A2101 17.880 2.295 3.426 1.00 2.31 C ATOM 711 O VAL A2101 18.790 1.854 4.127 1.00 2.68 O ATOM 712 CB VAL A2101 18.228 4.683 4.144 1.00 2.35 C ATOM 713 CG1 VAL A2101 19.271 4.843 3.046 1.00 2.67 C ATOM 714 CG2 VAL A2101 17.537 6.012 4.413 1.00 2.45 C ATOM 0 H VAL A2101 16.580 3.494 5.759 1.00 1.55 H new ATOM 0 HA VAL A2101 16.655 3.977 2.883 1.00 1.92 H new ATOM 0 HB VAL A2101 18.736 4.359 5.053 1.00 2.35 H new ATOM 0 HG11 VAL A2101 19.993 5.605 3.339 1.00 2.67 H new ATOM 0 HG12 VAL A2101 19.786 3.895 2.892 1.00 2.67 H new ATOM 0 HG13 VAL A2101 18.781 5.144 2.120 1.00 2.67 H new ATOM 0 HG21 VAL A2101 18.281 6.761 4.683 1.00 2.45 H new ATOM 0 HG22 VAL A2101 17.006 6.334 3.517 1.00 2.45 H new ATOM 0 HG23 VAL A2101 16.828 5.894 5.232 1.00 2.45 H new ATOM 724 N GLY A2102 17.409 1.663 2.366 1.00 2.55 N ATOM 725 CA GLY A2102 17.965 0.405 1.924 1.00 3.15 C ATOM 726 C GLY A2102 17.557 0.112 0.502 1.00 3.22 C ATOM 727 O GLY A2102 17.282 1.038 -0.262 1.00 3.84 O ATOM 0 H GLY A2102 16.637 2.007 1.794 1.00 2.55 H new ATOM 0 HA2 GLY A2102 19.052 0.437 1.996 1.00 3.15 H new ATOM 0 HA3 GLY A2102 17.625 -0.398 2.578 1.00 3.15 H new ATOM 731 N LYS A2103 17.494 -1.157 0.140 1.00 2.91 N ATOM 732 CA LYS A2103 17.049 -1.533 -1.195 1.00 3.06 C ATOM 733 C LYS A2103 15.674 -2.201 -1.126 1.00 2.39 C ATOM 734 O LYS A2103 15.558 -3.401 -0.881 1.00 2.33 O ATOM 735 CB LYS A2103 18.073 -2.437 -1.910 1.00 3.80 C ATOM 736 CG LYS A2103 18.518 -3.669 -1.127 1.00 4.59 C ATOM 737 CD LYS A2103 19.633 -3.368 -0.129 1.00 5.33 C ATOM 738 CE LYS A2103 20.999 -3.240 -0.796 1.00 6.21 C ATOM 739 NZ LYS A2103 21.120 -2.016 -1.632 1.00 6.78 N ATOM 0 H LYS A2103 17.742 -1.940 0.744 1.00 2.91 H new ATOM 0 HA LYS A2103 16.964 -0.622 -1.788 1.00 3.06 H new ATOM 0 HB2 LYS A2103 17.644 -2.765 -2.857 1.00 3.80 H new ATOM 0 HB3 LYS A2103 18.954 -1.841 -2.148 1.00 3.80 H new ATOM 0 HG2 LYS A2103 17.662 -4.083 -0.594 1.00 4.59 H new ATOM 0 HG3 LYS A2103 18.859 -4.433 -1.825 1.00 4.59 H new ATOM 0 HD2 LYS A2103 19.403 -2.443 0.399 1.00 5.33 H new ATOM 0 HD3 LYS A2103 19.671 -4.161 0.618 1.00 5.33 H new ATOM 0 HE2 LYS A2103 21.773 -3.228 -0.029 1.00 6.21 H new ATOM 0 HE3 LYS A2103 21.179 -4.118 -1.417 1.00 6.21 H new ATOM 0 HZ1 LYS A2103 22.104 -1.679 -1.613 1.00 6.78 H new ATOM 0 HZ2 LYS A2103 20.848 -2.236 -2.611 1.00 6.78 H new ATOM 0 HZ3 LYS A2103 20.493 -1.276 -1.257 1.00 6.78 H new ATOM 753 N PRO A2104 14.609 -1.411 -1.325 1.00 2.06 N ATOM 754 CA PRO A2104 13.230 -1.898 -1.236 1.00 1.50 C ATOM 755 C PRO A2104 12.814 -2.693 -2.469 1.00 1.35 C ATOM 756 O PRO A2104 13.438 -2.595 -3.528 1.00 1.62 O ATOM 757 CB PRO A2104 12.422 -0.607 -1.139 1.00 1.62 C ATOM 758 CG PRO A2104 13.225 0.392 -1.891 1.00 2.21 C ATOM 759 CD PRO A2104 14.664 0.021 -1.663 1.00 2.43 C ATOM 0 HA PRO A2104 13.086 -2.581 -0.399 1.00 1.50 H new ATOM 0 HB2 PRO A2104 11.429 -0.726 -1.573 1.00 1.62 H new ATOM 0 HB3 PRO A2104 12.282 -0.304 -0.102 1.00 1.62 H new ATOM 0 HG2 PRO A2104 12.980 0.371 -2.953 1.00 2.21 H new ATOM 0 HG3 PRO A2104 13.022 1.403 -1.537 1.00 2.21 H new ATOM 0 HD2 PRO A2104 15.269 0.199 -2.552 1.00 2.43 H new ATOM 0 HD3 PRO A2104 15.105 0.606 -0.856 1.00 2.43 H new ATOM 767 N ASP A2105 11.757 -3.478 -2.325 1.00 1.04 N ATOM 768 CA ASP A2105 11.249 -4.286 -3.427 1.00 0.98 C ATOM 769 C ASP A2105 10.015 -3.636 -4.041 1.00 0.79 C ATOM 770 O ASP A2105 9.181 -3.065 -3.331 1.00 0.78 O ATOM 771 CB ASP A2105 10.929 -5.710 -2.957 1.00 1.06 C ATOM 772 CG ASP A2105 12.143 -6.617 -2.981 1.00 1.66 C ATOM 773 OD1 ASP A2105 13.126 -6.332 -2.265 1.00 2.16 O ATOM 774 OD2 ASP A2105 12.120 -7.627 -3.718 1.00 2.33 O ATOM 0 H ASP A2105 11.233 -3.574 -1.455 1.00 1.04 H new ATOM 0 HA ASP A2105 12.025 -4.346 -4.190 1.00 0.98 H new ATOM 0 HB2 ASP A2105 10.527 -5.673 -1.944 1.00 1.06 H new ATOM 0 HB3 ASP A2105 10.151 -6.133 -3.593 1.00 1.06 H new ATOM 779 N PRO A2106 9.904 -3.701 -5.378 1.00 0.77 N ATOM 780 CA PRO A2106 8.814 -3.064 -6.125 1.00 0.73 C ATOM 781 C PRO A2106 7.452 -3.719 -5.892 1.00 0.61 C ATOM 782 O PRO A2106 7.262 -4.912 -6.148 1.00 0.74 O ATOM 783 CB PRO A2106 9.245 -3.224 -7.586 1.00 0.87 C ATOM 784 CG PRO A2106 10.130 -4.419 -7.591 1.00 1.03 C ATOM 785 CD PRO A2106 10.846 -4.403 -6.271 1.00 0.93 C ATOM 0 HA PRO A2106 8.671 -2.030 -5.812 1.00 0.73 H new ATOM 0 HB2 PRO A2106 8.384 -3.366 -8.239 1.00 0.87 H new ATOM 0 HB3 PRO A2106 9.773 -2.339 -7.942 1.00 0.87 H new ATOM 0 HG2 PRO A2106 9.550 -5.334 -7.710 1.00 1.03 H new ATOM 0 HG3 PRO A2106 10.837 -4.379 -8.420 1.00 1.03 H new ATOM 0 HD2 PRO A2106 11.059 -5.412 -5.917 1.00 0.93 H new ATOM 0 HD3 PRO A2106 11.800 -3.881 -6.338 1.00 0.93 H new ATOM 793 N VAL A2107 6.512 -2.920 -5.404 1.00 0.48 N ATOM 794 CA VAL A2107 5.141 -3.360 -5.196 1.00 0.37 C ATOM 795 C VAL A2107 4.208 -2.148 -5.174 1.00 0.35 C ATOM 796 O VAL A2107 4.585 -1.073 -4.699 1.00 0.60 O ATOM 797 CB VAL A2107 4.997 -4.181 -3.886 1.00 0.41 C ATOM 798 CG1 VAL A2107 5.421 -3.367 -2.672 1.00 0.54 C ATOM 799 CG2 VAL A2107 3.573 -4.696 -3.715 1.00 0.46 C ATOM 0 H VAL A2107 6.680 -1.949 -5.142 1.00 0.48 H new ATOM 0 HA VAL A2107 4.864 -4.014 -6.023 1.00 0.37 H new ATOM 0 HB VAL A2107 5.664 -5.040 -3.964 1.00 0.41 H new ATOM 0 HG11 VAL A2107 5.308 -3.971 -1.772 1.00 0.54 H new ATOM 0 HG12 VAL A2107 6.464 -3.068 -2.780 1.00 0.54 H new ATOM 0 HG13 VAL A2107 4.795 -2.478 -2.593 1.00 0.54 H new ATOM 0 HG21 VAL A2107 3.501 -5.267 -2.789 1.00 0.46 H new ATOM 0 HG22 VAL A2107 2.883 -3.853 -3.675 1.00 0.46 H new ATOM 0 HG23 VAL A2107 3.314 -5.337 -4.558 1.00 0.46 H new ATOM 809 N THR A2108 3.008 -2.308 -5.716 1.00 0.32 N ATOM 810 CA THR A2108 2.042 -1.224 -5.764 1.00 0.30 C ATOM 811 C THR A2108 0.757 -1.619 -5.044 1.00 0.30 C ATOM 812 O THR A2108 0.209 -2.696 -5.275 1.00 0.33 O ATOM 813 CB THR A2108 1.710 -0.837 -7.220 1.00 0.33 C ATOM 814 OG1 THR A2108 2.923 -0.676 -7.970 1.00 0.37 O ATOM 815 CG2 THR A2108 0.900 0.456 -7.275 1.00 0.35 C ATOM 0 H THR A2108 2.682 -3.182 -6.129 1.00 0.32 H new ATOM 0 HA THR A2108 2.490 -0.365 -5.264 1.00 0.30 H new ATOM 0 HB THR A2108 1.111 -1.637 -7.655 1.00 0.33 H new ATOM 0 HG1 THR A2108 2.706 -0.432 -8.894 1.00 0.37 H new ATOM 0 HG21 THR A2108 0.681 0.704 -8.313 1.00 0.35 H new ATOM 0 HG22 THR A2108 -0.034 0.324 -6.728 1.00 0.35 H new ATOM 0 HG23 THR A2108 1.474 1.264 -6.822 1.00 0.35 H new ATOM 823 N VAL A2109 0.291 -0.750 -4.163 1.00 0.38 N ATOM 824 CA VAL A2109 -0.950 -0.980 -3.441 1.00 0.46 C ATOM 825 C VAL A2109 -2.103 -0.324 -4.205 1.00 0.52 C ATOM 826 O VAL A2109 -1.906 0.725 -4.811 1.00 0.61 O ATOM 827 CB VAL A2109 -0.866 -0.404 -2.013 1.00 0.60 C ATOM 828 CG1 VAL A2109 -1.917 -1.041 -1.123 1.00 0.76 C ATOM 829 CG2 VAL A2109 0.532 -0.596 -1.428 1.00 0.61 C ATOM 0 H VAL A2109 0.757 0.127 -3.929 1.00 0.38 H new ATOM 0 HA VAL A2109 -1.123 -2.053 -3.363 1.00 0.46 H new ATOM 0 HB VAL A2109 -1.062 0.667 -2.064 1.00 0.60 H new ATOM 0 HG11 VAL A2109 -1.845 -0.624 -0.119 1.00 0.76 H new ATOM 0 HG12 VAL A2109 -2.908 -0.839 -1.529 1.00 0.76 H new ATOM 0 HG13 VAL A2109 -1.754 -2.118 -1.081 1.00 0.76 H new ATOM 0 HG21 VAL A2109 0.565 -0.181 -0.421 1.00 0.61 H new ATOM 0 HG22 VAL A2109 0.768 -1.660 -1.391 1.00 0.61 H new ATOM 0 HG23 VAL A2109 1.262 -0.084 -2.055 1.00 0.61 H new ATOM 839 N LYS A2110 -3.290 -0.933 -4.198 1.00 0.53 N ATOM 840 CA LYS A2110 -4.395 -0.445 -5.027 1.00 0.63 C ATOM 841 C LYS A2110 -5.746 -0.592 -4.313 1.00 0.70 C ATOM 842 O LYS A2110 -6.269 -1.689 -4.182 1.00 0.99 O ATOM 843 CB LYS A2110 -4.418 -1.249 -6.343 1.00 0.67 C ATOM 844 CG LYS A2110 -5.092 -0.557 -7.532 1.00 0.85 C ATOM 845 CD LYS A2110 -6.578 -0.285 -7.313 1.00 1.03 C ATOM 846 CE LYS A2110 -7.399 -1.562 -7.141 1.00 1.11 C ATOM 847 NZ LYS A2110 -7.430 -2.392 -8.374 1.00 1.63 N ATOM 0 H LYS A2110 -3.510 -1.755 -3.635 1.00 0.53 H new ATOM 0 HA LYS A2110 -4.238 0.615 -5.225 1.00 0.63 H new ATOM 0 HB2 LYS A2110 -3.391 -1.488 -6.619 1.00 0.67 H new ATOM 0 HB3 LYS A2110 -4.927 -2.195 -6.160 1.00 0.67 H new ATOM 0 HG2 LYS A2110 -4.583 0.386 -7.730 1.00 0.85 H new ATOM 0 HG3 LYS A2110 -4.971 -1.177 -8.420 1.00 0.85 H new ATOM 0 HD2 LYS A2110 -6.701 0.341 -6.429 1.00 1.03 H new ATOM 0 HD3 LYS A2110 -6.967 0.279 -8.160 1.00 1.03 H new ATOM 0 HE2 LYS A2110 -6.983 -2.149 -6.322 1.00 1.11 H new ATOM 0 HE3 LYS A2110 -8.418 -1.299 -6.859 1.00 1.11 H new ATOM 0 HZ1 LYS A2110 -8.080 -3.192 -8.238 1.00 1.63 H new ATOM 0 HZ2 LYS A2110 -7.756 -1.813 -9.174 1.00 1.63 H new ATOM 0 HZ3 LYS A2110 -6.475 -2.752 -8.574 1.00 1.63 H new ATOM 861 N ARG A2111 -6.332 0.513 -3.885 1.00 0.52 N ATOM 862 CA ARG A2111 -7.696 0.482 -3.368 1.00 0.54 C ATOM 863 C ARG A2111 -8.403 1.786 -3.697 1.00 0.44 C ATOM 864 O ARG A2111 -7.804 2.858 -3.623 1.00 0.47 O ATOM 865 CB ARG A2111 -7.727 0.222 -1.854 1.00 0.62 C ATOM 866 CG ARG A2111 -7.074 1.309 -1.024 1.00 0.62 C ATOM 867 CD ARG A2111 -7.271 1.084 0.466 1.00 0.87 C ATOM 868 NE ARG A2111 -6.621 2.124 1.268 1.00 1.86 N ATOM 869 CZ ARG A2111 -6.907 2.373 2.548 1.00 2.47 C ATOM 870 NH1 ARG A2111 -7.846 1.675 3.172 1.00 2.41 N ATOM 871 NH2 ARG A2111 -6.258 3.332 3.198 1.00 3.47 N ATOM 0 H ARG A2111 -5.894 1.434 -3.883 1.00 0.52 H new ATOM 0 HA ARG A2111 -8.219 -0.344 -3.850 1.00 0.54 H new ATOM 0 HB2 ARG A2111 -8.764 0.112 -1.537 1.00 0.62 H new ATOM 0 HB3 ARG A2111 -7.228 -0.725 -1.649 1.00 0.62 H new ATOM 0 HG2 ARG A2111 -6.008 1.344 -1.247 1.00 0.62 H new ATOM 0 HG3 ARG A2111 -7.490 2.277 -1.303 1.00 0.62 H new ATOM 0 HD2 ARG A2111 -8.337 1.065 0.692 1.00 0.87 H new ATOM 0 HD3 ARG A2111 -6.869 0.109 0.742 1.00 0.87 H new ATOM 0 HE ARG A2111 -5.904 2.694 0.819 1.00 1.86 H new ATOM 0 HH11 ARG A2111 -8.354 0.944 2.674 1.00 2.41 H new ATOM 0 HH12 ARG A2111 -8.061 1.869 4.150 1.00 2.41 H new ATOM 0 HH21 ARG A2111 -5.542 3.878 2.719 1.00 3.47 H new ATOM 0 HH22 ARG A2111 -6.476 3.523 4.176 1.00 3.47 H new ATOM 885 N VAL A2112 -9.662 1.694 -4.087 1.00 0.35 N ATOM 886 CA VAL A2112 -10.425 2.884 -4.436 1.00 0.28 C ATOM 887 C VAL A2112 -11.391 3.258 -3.318 1.00 0.25 C ATOM 888 O VAL A2112 -11.782 2.415 -2.512 1.00 0.29 O ATOM 889 CB VAL A2112 -11.204 2.700 -5.757 1.00 0.31 C ATOM 890 CG1 VAL A2112 -10.245 2.473 -6.914 1.00 0.40 C ATOM 891 CG2 VAL A2112 -12.197 1.552 -5.655 1.00 0.32 C ATOM 0 H VAL A2112 -10.176 0.817 -4.170 1.00 0.35 H new ATOM 0 HA VAL A2112 -9.707 3.692 -4.574 1.00 0.28 H new ATOM 0 HB VAL A2112 -11.766 3.615 -5.945 1.00 0.31 H new ATOM 0 HG11 VAL A2112 -10.811 2.345 -7.836 1.00 0.40 H new ATOM 0 HG12 VAL A2112 -9.582 3.333 -7.011 1.00 0.40 H new ATOM 0 HG13 VAL A2112 -9.653 1.578 -6.725 1.00 0.40 H new ATOM 0 HG21 VAL A2112 -12.730 1.447 -6.600 1.00 0.32 H new ATOM 0 HG22 VAL A2112 -11.663 0.628 -5.435 1.00 0.32 H new ATOM 0 HG23 VAL A2112 -12.910 1.758 -4.857 1.00 0.32 H new ATOM 901 N ASP A2113 -11.744 4.534 -3.257 1.00 0.26 N ATOM 902 CA ASP A2113 -12.690 5.028 -2.264 1.00 0.31 C ATOM 903 C ASP A2113 -14.091 5.096 -2.863 1.00 0.33 C ATOM 904 O ASP A2113 -14.339 4.557 -3.941 1.00 0.34 O ATOM 905 CB ASP A2113 -12.285 6.421 -1.771 1.00 0.40 C ATOM 906 CG ASP A2113 -12.684 7.503 -2.748 1.00 0.55 C ATOM 907 OD1 ASP A2113 -12.029 7.628 -3.792 1.00 0.85 O ATOM 908 OD2 ASP A2113 -13.686 8.203 -2.493 1.00 1.46 O ATOM 0 H ASP A2113 -11.387 5.251 -3.888 1.00 0.26 H new ATOM 0 HA ASP A2113 -12.684 4.338 -1.420 1.00 0.31 H new ATOM 0 HB2 ASP A2113 -12.752 6.614 -0.805 1.00 0.40 H new ATOM 0 HB3 ASP A2113 -11.207 6.452 -1.616 1.00 0.40 H new ATOM 913 N LYS A2114 -14.994 5.761 -2.154 1.00 0.40 N ATOM 914 CA LYS A2114 -16.370 5.933 -2.599 1.00 0.46 C ATOM 915 C LYS A2114 -16.452 6.532 -4.009 1.00 0.52 C ATOM 916 O LYS A2114 -17.234 6.062 -4.838 1.00 0.65 O ATOM 917 CB LYS A2114 -17.119 6.835 -1.622 1.00 0.55 C ATOM 918 CG LYS A2114 -17.149 6.305 -0.201 1.00 0.58 C ATOM 919 CD LYS A2114 -17.894 7.251 0.721 1.00 0.69 C ATOM 920 CE LYS A2114 -18.068 6.656 2.104 1.00 0.83 C ATOM 921 NZ LYS A2114 -18.916 7.514 2.971 1.00 1.72 N ATOM 0 H LYS A2114 -14.793 6.196 -1.254 1.00 0.40 H new ATOM 0 HA LYS A2114 -16.829 4.945 -2.630 1.00 0.46 H new ATOM 0 HB2 LYS A2114 -16.654 7.821 -1.623 1.00 0.55 H new ATOM 0 HB3 LYS A2114 -18.143 6.965 -1.973 1.00 0.55 H new ATOM 0 HG2 LYS A2114 -17.627 5.326 -0.185 1.00 0.58 H new ATOM 0 HG3 LYS A2114 -16.130 6.168 0.160 1.00 0.58 H new ATOM 0 HD2 LYS A2114 -17.350 8.193 0.795 1.00 0.69 H new ATOM 0 HD3 LYS A2114 -18.872 7.480 0.297 1.00 0.69 H new ATOM 0 HE2 LYS A2114 -18.518 5.667 2.020 1.00 0.83 H new ATOM 0 HE3 LYS A2114 -17.091 6.523 2.568 1.00 0.83 H new ATOM 0 HZ1 LYS A2114 -19.012 7.074 3.908 1.00 1.72 H new ATOM 0 HZ2 LYS A2114 -18.474 8.450 3.072 1.00 1.72 H new ATOM 0 HZ3 LYS A2114 -19.857 7.620 2.541 1.00 1.72 H new ATOM 935 N ASN A2115 -15.652 7.561 -4.288 1.00 0.52 N ATOM 936 CA ASN A2115 -15.735 8.236 -5.584 1.00 0.60 C ATOM 937 C ASN A2115 -14.887 7.524 -6.630 1.00 0.54 C ATOM 938 O ASN A2115 -15.034 7.763 -7.828 1.00 0.70 O ATOM 939 CB ASN A2115 -15.333 9.719 -5.494 1.00 0.72 C ATOM 940 CG ASN A2115 -13.833 9.965 -5.524 1.00 0.99 C ATOM 941 OD1 ASN A2115 -13.225 10.051 -6.592 1.00 1.84 O ATOM 942 ND2 ASN A2115 -13.229 10.103 -4.359 1.00 1.11 N ATOM 0 H ASN A2115 -14.953 7.940 -3.649 1.00 0.52 H new ATOM 0 HA ASN A2115 -16.780 8.194 -5.891 1.00 0.60 H new ATOM 0 HB2 ASN A2115 -15.794 10.259 -6.321 1.00 0.72 H new ATOM 0 HB3 ASN A2115 -15.739 10.138 -4.574 1.00 0.72 H new ATOM 0 HD21 ASN A2115 -12.226 10.287 -4.323 1.00 1.11 H new ATOM 0 HD22 ASN A2115 -13.765 10.025 -3.494 1.00 1.11 H new ATOM 949 N GLY A2116 -14.003 6.649 -6.180 1.00 0.38 N ATOM 950 CA GLY A2116 -13.203 5.876 -7.108 1.00 0.39 C ATOM 951 C GLY A2116 -11.776 6.368 -7.208 1.00 0.38 C ATOM 952 O GLY A2116 -11.063 6.016 -8.145 1.00 0.44 O ATOM 0 H GLY A2116 -13.824 6.460 -5.194 1.00 0.38 H new ATOM 0 HA2 GLY A2116 -13.201 4.832 -6.795 1.00 0.39 H new ATOM 0 HA3 GLY A2116 -13.664 5.912 -8.095 1.00 0.39 H new ATOM 956 N THR A2117 -11.362 7.188 -6.255 1.00 0.36 N ATOM 957 CA THR A2117 -9.980 7.639 -6.188 1.00 0.38 C ATOM 958 C THR A2117 -9.093 6.518 -5.648 1.00 0.33 C ATOM 959 O THR A2117 -9.253 6.085 -4.505 1.00 0.33 O ATOM 960 CB THR A2117 -9.836 8.887 -5.289 1.00 0.44 C ATOM 961 OG1 THR A2117 -10.617 9.966 -5.823 1.00 0.57 O ATOM 962 CG2 THR A2117 -8.381 9.319 -5.167 1.00 0.54 C ATOM 0 H THR A2117 -11.963 7.555 -5.517 1.00 0.36 H new ATOM 0 HA THR A2117 -9.667 7.906 -7.197 1.00 0.38 H new ATOM 0 HB THR A2117 -10.198 8.628 -4.294 1.00 0.44 H new ATOM 0 HG1 THR A2117 -11.483 9.623 -6.129 1.00 0.57 H new ATOM 0 HG21 THR A2117 -8.315 10.200 -4.528 1.00 0.54 H new ATOM 0 HG22 THR A2117 -7.796 8.509 -4.730 1.00 0.54 H new ATOM 0 HG23 THR A2117 -7.988 9.558 -6.155 1.00 0.54 H new ATOM 970 N PRO A2118 -8.172 6.001 -6.470 1.00 0.38 N ATOM 971 CA PRO A2118 -7.272 4.935 -6.060 1.00 0.40 C ATOM 972 C PRO A2118 -6.132 5.444 -5.188 1.00 0.35 C ATOM 973 O PRO A2118 -5.160 6.016 -5.688 1.00 0.39 O ATOM 974 CB PRO A2118 -6.722 4.376 -7.384 1.00 0.53 C ATOM 975 CG PRO A2118 -7.431 5.116 -8.473 1.00 0.61 C ATOM 976 CD PRO A2118 -7.934 6.391 -7.862 1.00 0.51 C ATOM 0 HA PRO A2118 -7.788 4.189 -5.456 1.00 0.40 H new ATOM 0 HB2 PRO A2118 -5.644 4.523 -7.451 1.00 0.53 H new ATOM 0 HB3 PRO A2118 -6.903 3.304 -7.460 1.00 0.53 H new ATOM 0 HG2 PRO A2118 -6.757 5.323 -9.304 1.00 0.61 H new ATOM 0 HG3 PRO A2118 -8.255 4.525 -8.871 1.00 0.61 H new ATOM 0 HD2 PRO A2118 -7.202 7.195 -7.939 1.00 0.51 H new ATOM 0 HD3 PRO A2118 -8.845 6.742 -8.347 1.00 0.51 H new ATOM 984 N VAL A2119 -6.260 5.253 -3.883 1.00 0.33 N ATOM 985 CA VAL A2119 -5.148 5.489 -2.983 1.00 0.33 C ATOM 986 C VAL A2119 -4.162 4.346 -3.129 1.00 0.36 C ATOM 987 O VAL A2119 -4.440 3.201 -2.768 1.00 0.39 O ATOM 988 CB VAL A2119 -5.587 5.652 -1.508 1.00 0.39 C ATOM 989 CG1 VAL A2119 -6.254 6.997 -1.297 1.00 0.52 C ATOM 990 CG2 VAL A2119 -6.526 4.542 -1.085 1.00 0.60 C ATOM 0 H VAL A2119 -7.117 4.938 -3.429 1.00 0.33 H new ATOM 0 HA VAL A2119 -4.681 6.435 -3.258 1.00 0.33 H new ATOM 0 HB VAL A2119 -4.690 5.596 -0.891 1.00 0.39 H new ATOM 0 HG11 VAL A2119 -6.556 7.094 -0.254 1.00 0.52 H new ATOM 0 HG12 VAL A2119 -5.554 7.794 -1.547 1.00 0.52 H new ATOM 0 HG13 VAL A2119 -7.133 7.072 -1.938 1.00 0.52 H new ATOM 0 HG21 VAL A2119 -6.815 4.687 -0.044 1.00 0.60 H new ATOM 0 HG22 VAL A2119 -7.416 4.559 -1.714 1.00 0.60 H new ATOM 0 HG23 VAL A2119 -6.024 3.580 -1.192 1.00 0.60 H new ATOM 1000 N THR A2120 -3.034 4.662 -3.721 1.00 0.39 N ATOM 1001 CA THR A2120 -2.037 3.673 -4.044 1.00 0.44 C ATOM 1002 C THR A2120 -0.744 3.984 -3.316 1.00 0.53 C ATOM 1003 O THR A2120 -0.691 4.890 -2.482 1.00 0.67 O ATOM 1004 CB THR A2120 -1.766 3.642 -5.566 1.00 0.52 C ATOM 1005 OG1 THR A2120 -1.312 4.929 -6.012 1.00 0.61 O ATOM 1006 CG2 THR A2120 -3.021 3.257 -6.338 1.00 0.55 C ATOM 0 H THR A2120 -2.783 5.613 -3.992 1.00 0.39 H new ATOM 0 HA THR A2120 -2.413 2.699 -3.731 1.00 0.44 H new ATOM 0 HB THR A2120 -0.996 2.894 -5.754 1.00 0.52 H new ATOM 0 HG1 THR A2120 -1.499 5.599 -5.322 1.00 0.61 H new ATOM 0 HG21 THR A2120 -2.802 3.243 -7.406 1.00 0.55 H new ATOM 0 HG22 THR A2120 -3.353 2.268 -6.023 1.00 0.55 H new ATOM 0 HG23 THR A2120 -3.808 3.984 -6.139 1.00 0.55 H new ATOM 1014 N ALA A2121 0.282 3.219 -3.618 1.00 0.53 N ATOM 1015 CA ALA A2121 1.620 3.524 -3.167 1.00 0.65 C ATOM 1016 C ALA A2121 2.608 3.001 -4.187 1.00 0.73 C ATOM 1017 O ALA A2121 2.553 1.830 -4.567 1.00 0.69 O ATOM 1018 CB ALA A2121 1.884 2.916 -1.796 1.00 0.70 C ATOM 0 H ALA A2121 0.212 2.371 -4.181 1.00 0.53 H new ATOM 0 HA ALA A2121 1.733 4.604 -3.070 1.00 0.65 H new ATOM 0 HB1 ALA A2121 2.898 3.160 -1.479 1.00 0.70 H new ATOM 0 HB2 ALA A2121 1.172 3.319 -1.076 1.00 0.70 H new ATOM 0 HB3 ALA A2121 1.772 1.833 -1.850 1.00 0.70 H new ATOM 1024 N THR A2122 3.496 3.862 -4.638 1.00 0.98 N ATOM 1025 CA THR A2122 4.476 3.477 -5.627 1.00 1.15 C ATOM 1026 C THR A2122 5.802 3.205 -4.948 1.00 0.99 C ATOM 1027 O THR A2122 6.559 4.126 -4.653 1.00 1.22 O ATOM 1028 CB THR A2122 4.651 4.576 -6.696 1.00 1.63 C ATOM 1029 OG1 THR A2122 4.910 5.839 -6.064 1.00 2.19 O ATOM 1030 CG2 THR A2122 3.410 4.684 -7.570 1.00 2.08 C ATOM 0 H THR A2122 3.558 4.834 -4.334 1.00 0.98 H new ATOM 0 HA THR A2122 4.125 2.573 -6.125 1.00 1.15 H new ATOM 0 HB THR A2122 5.497 4.306 -7.328 1.00 1.63 H new ATOM 0 HG1 THR A2122 5.568 5.718 -5.348 1.00 2.19 H new ATOM 0 HG21 THR A2122 3.557 5.465 -8.316 1.00 2.08 H new ATOM 0 HG22 THR A2122 3.234 3.732 -8.071 1.00 2.08 H new ATOM 0 HG23 THR A2122 2.549 4.932 -6.950 1.00 2.08 H new ATOM 1038 N TYR A2123 6.078 1.941 -4.691 1.00 0.85 N ATOM 1039 CA TYR A2123 7.290 1.575 -3.992 1.00 0.77 C ATOM 1040 C TYR A2123 8.181 0.698 -4.845 1.00 0.94 C ATOM 1041 O TYR A2123 7.754 -0.334 -5.363 1.00 1.20 O ATOM 1042 CB TYR A2123 6.963 0.916 -2.654 1.00 0.83 C ATOM 1043 CG TYR A2123 6.848 1.934 -1.549 1.00 1.21 C ATOM 1044 CD1 TYR A2123 5.612 2.385 -1.110 1.00 1.93 C ATOM 1045 CD2 TYR A2123 7.990 2.472 -0.972 1.00 1.82 C ATOM 1046 CE1 TYR A2123 5.517 3.347 -0.124 1.00 2.36 C ATOM 1047 CE2 TYR A2123 7.906 3.427 0.018 1.00 2.26 C ATOM 1048 CZ TYR A2123 6.668 3.866 0.438 1.00 2.25 C ATOM 1049 OH TYR A2123 6.582 4.829 1.419 1.00 2.81 O ATOM 0 H TYR A2123 5.482 1.156 -4.955 1.00 0.85 H new ATOM 0 HA TYR A2123 7.848 2.488 -3.786 1.00 0.77 H new ATOM 0 HB2 TYR A2123 6.028 0.363 -2.739 1.00 0.83 H new ATOM 0 HB3 TYR A2123 7.739 0.193 -2.404 1.00 0.83 H new ATOM 0 HD1 TYR A2123 4.711 1.978 -1.545 1.00 1.93 H new ATOM 0 HD2 TYR A2123 8.961 2.136 -1.305 1.00 1.82 H new ATOM 0 HE1 TYR A2123 4.548 3.692 0.206 1.00 2.36 H new ATOM 0 HE2 TYR A2123 8.804 3.829 0.462 1.00 2.26 H new ATOM 0 HH TYR A2123 7.483 5.084 1.707 1.00 2.81 H new ATOM 1059 N SER A2124 9.410 1.156 -5.012 1.00 1.07 N ATOM 1060 CA SER A2124 10.417 0.464 -5.794 1.00 1.29 C ATOM 1061 C SER A2124 11.800 0.933 -5.340 1.00 1.24 C ATOM 1062 O SER A2124 11.888 1.850 -4.516 1.00 1.31 O ATOM 1063 CB SER A2124 10.210 0.756 -7.290 1.00 1.66 C ATOM 1064 OG SER A2124 8.927 0.331 -7.720 1.00 2.06 O ATOM 0 H SER A2124 9.739 2.030 -4.603 1.00 1.07 H new ATOM 0 HA SER A2124 10.333 -0.612 -5.643 1.00 1.29 H new ATOM 0 HB2 SER A2124 10.323 1.824 -7.474 1.00 1.66 H new ATOM 0 HB3 SER A2124 10.979 0.249 -7.873 1.00 1.66 H new ATOM 0 HG SER A2124 8.819 0.529 -8.674 1.00 2.06 H new ATOM 1070 N PRO A2125 12.892 0.301 -5.814 1.00 1.46 N ATOM 1071 CA PRO A2125 14.251 0.773 -5.539 1.00 1.71 C ATOM 1072 C PRO A2125 14.407 2.276 -5.778 1.00 1.73 C ATOM 1073 O PRO A2125 13.834 2.826 -6.719 1.00 2.16 O ATOM 1074 CB PRO A2125 15.100 -0.019 -6.528 1.00 2.09 C ATOM 1075 CG PRO A2125 14.359 -1.297 -6.705 1.00 2.09 C ATOM 1076 CD PRO A2125 12.899 -0.944 -6.612 1.00 1.75 C ATOM 0 HA PRO A2125 14.534 0.625 -4.497 1.00 1.71 H new ATOM 0 HB2 PRO A2125 15.209 0.512 -7.474 1.00 2.09 H new ATOM 0 HB3 PRO A2125 16.104 -0.191 -6.142 1.00 2.09 H new ATOM 0 HG2 PRO A2125 14.590 -1.752 -7.668 1.00 2.09 H new ATOM 0 HG3 PRO A2125 14.636 -2.019 -5.937 1.00 2.09 H new ATOM 0 HD2 PRO A2125 12.460 -0.791 -7.598 1.00 1.75 H new ATOM 0 HD3 PRO A2125 12.326 -1.734 -6.127 1.00 1.75 H new ATOM 1084 N GLU A2126 15.167 2.925 -4.900 1.00 1.86 N ATOM 1085 CA GLU A2126 15.435 4.364 -4.986 1.00 2.08 C ATOM 1086 C GLU A2126 14.183 5.211 -4.760 1.00 1.98 C ATOM 1087 O GLU A2126 14.123 6.363 -5.186 1.00 2.37 O ATOM 1088 CB GLU A2126 16.092 4.728 -6.323 1.00 2.47 C ATOM 1089 CG GLU A2126 17.610 4.612 -6.314 1.00 3.11 C ATOM 1090 CD GLU A2126 18.100 3.266 -5.826 1.00 3.80 C ATOM 1091 OE1 GLU A2126 18.130 2.310 -6.627 1.00 4.26 O ATOM 1092 OE2 GLU A2126 18.473 3.159 -4.637 1.00 4.33 O ATOM 0 H GLU A2126 15.617 2.470 -4.106 1.00 1.86 H new ATOM 0 HA GLU A2126 16.131 4.594 -4.179 1.00 2.08 H new ATOM 0 HB2 GLU A2126 15.692 4.079 -7.102 1.00 2.47 H new ATOM 0 HB3 GLU A2126 15.817 5.749 -6.586 1.00 2.47 H new ATOM 0 HG2 GLU A2126 17.988 4.786 -7.322 1.00 3.11 H new ATOM 0 HG3 GLU A2126 18.024 5.395 -5.679 1.00 3.11 H new ATOM 1099 N PHE A2127 13.189 4.653 -4.082 1.00 2.04 N ATOM 1100 CA PHE A2127 12.017 5.435 -3.707 1.00 2.23 C ATOM 1101 C PHE A2127 12.015 5.711 -2.209 1.00 2.57 C ATOM 1102 O PHE A2127 11.848 6.849 -1.780 1.00 3.09 O ATOM 1103 CB PHE A2127 10.721 4.722 -4.099 1.00 2.24 C ATOM 1104 CG PHE A2127 9.491 5.562 -3.882 1.00 2.48 C ATOM 1105 CD1 PHE A2127 9.067 6.451 -4.856 1.00 2.99 C ATOM 1106 CD2 PHE A2127 8.763 5.464 -2.707 1.00 2.99 C ATOM 1107 CE1 PHE A2127 7.940 7.228 -4.660 1.00 3.64 C ATOM 1108 CE2 PHE A2127 7.637 6.238 -2.505 1.00 3.62 C ATOM 1109 CZ PHE A2127 7.225 7.122 -3.483 1.00 3.83 C ATOM 0 H PHE A2127 13.169 3.678 -3.784 1.00 2.04 H new ATOM 0 HA PHE A2127 12.068 6.380 -4.248 1.00 2.23 H new ATOM 0 HB2 PHE A2127 10.776 4.435 -5.149 1.00 2.24 H new ATOM 0 HB3 PHE A2127 10.631 3.802 -3.521 1.00 2.24 H new ATOM 0 HD1 PHE A2127 9.622 6.538 -5.778 1.00 2.99 H new ATOM 0 HD2 PHE A2127 9.080 4.774 -1.939 1.00 2.99 H new ATOM 0 HE1 PHE A2127 7.619 7.917 -5.427 1.00 3.64 H new ATOM 0 HE2 PHE A2127 7.080 6.152 -1.584 1.00 3.62 H new ATOM 0 HZ PHE A2127 6.345 7.729 -3.328 1.00 3.83 H new ATOM 1119 N THR A2128 12.211 4.660 -1.423 1.00 2.82 N ATOM 1120 CA THR A2128 12.117 4.751 0.027 1.00 3.38 C ATOM 1121 C THR A2128 13.172 5.686 0.622 1.00 2.89 C ATOM 1122 O THR A2128 12.901 6.397 1.589 1.00 3.03 O ATOM 1123 CB THR A2128 12.245 3.357 0.660 1.00 4.34 C ATOM 1124 OG1 THR A2128 11.534 2.406 -0.141 1.00 4.91 O ATOM 1125 CG2 THR A2128 11.680 3.347 2.072 1.00 5.11 C ATOM 0 H THR A2128 12.438 3.728 -1.770 1.00 2.82 H new ATOM 0 HA THR A2128 11.137 5.171 0.255 1.00 3.38 H new ATOM 0 HB THR A2128 13.302 3.094 0.708 1.00 4.34 H new ATOM 0 HG1 THR A2128 10.595 2.676 -0.213 1.00 4.91 H new ATOM 0 HG21 THR A2128 11.783 2.349 2.498 1.00 5.11 H new ATOM 0 HG22 THR A2128 12.226 4.062 2.687 1.00 5.11 H new ATOM 0 HG23 THR A2128 10.626 3.623 2.044 1.00 5.11 H new ATOM 1133 N LYS A2129 14.372 5.698 0.052 1.00 2.90 N ATOM 1134 CA LYS A2129 15.418 6.578 0.556 1.00 2.79 C ATOM 1135 C LYS A2129 15.403 7.900 -0.200 1.00 3.43 C ATOM 1136 O LYS A2129 14.666 8.061 -1.175 1.00 3.99 O ATOM 1137 CB LYS A2129 16.811 5.932 0.473 1.00 3.05 C ATOM 1138 CG LYS A2129 17.504 6.057 -0.881 1.00 3.76 C ATOM 1139 CD LYS A2129 16.842 5.212 -1.954 1.00 4.33 C ATOM 1140 CE LYS A2129 17.037 3.728 -1.695 1.00 4.72 C ATOM 1141 NZ LYS A2129 18.434 3.289 -1.959 1.00 5.22 N ATOM 0 H LYS A2129 14.641 5.120 -0.744 1.00 2.90 H new ATOM 0 HA LYS A2129 15.209 6.762 1.610 1.00 2.79 H new ATOM 0 HB2 LYS A2129 17.449 6.383 1.233 1.00 3.05 H new ATOM 0 HB3 LYS A2129 16.719 4.874 0.720 1.00 3.05 H new ATOM 0 HG2 LYS A2129 17.500 7.102 -1.192 1.00 3.76 H new ATOM 0 HG3 LYS A2129 18.547 5.758 -0.780 1.00 3.76 H new ATOM 0 HD2 LYS A2129 15.776 5.439 -1.991 1.00 4.33 H new ATOM 0 HD3 LYS A2129 17.257 5.470 -2.929 1.00 4.33 H new ATOM 0 HE2 LYS A2129 16.777 3.505 -0.660 1.00 4.72 H new ATOM 0 HE3 LYS A2129 16.354 3.158 -2.325 1.00 4.72 H new ATOM 0 HZ1 LYS A2129 18.515 2.267 -1.785 1.00 5.22 H new ATOM 0 HZ2 LYS A2129 18.681 3.493 -2.949 1.00 5.22 H new ATOM 0 HZ3 LYS A2129 19.084 3.800 -1.328 1.00 5.22 H new ATOM 1155 N VAL A2130 16.224 8.829 0.251 1.00 3.76 N ATOM 1156 CA VAL A2130 16.273 10.157 -0.326 1.00 4.65 C ATOM 1157 C VAL A2130 17.494 10.322 -1.231 1.00 5.15 C ATOM 1158 O VAL A2130 18.580 10.680 -0.729 1.00 5.63 O ATOM 1159 CB VAL A2130 16.268 11.230 0.780 1.00 5.31 C ATOM 1160 CG1 VAL A2130 14.861 11.407 1.327 1.00 5.79 C ATOM 1161 CG2 VAL A2130 17.222 10.847 1.907 1.00 5.88 C ATOM 1162 OXT VAL A2130 17.361 10.085 -2.448 1.00 5.44 O ATOM 0 H VAL A2130 16.873 8.685 1.025 1.00 3.76 H new ATOM 0 HA VAL A2130 15.382 10.289 -0.939 1.00 4.65 H new ATOM 0 HB VAL A2130 16.605 12.172 0.348 1.00 5.31 H new ATOM 0 HG11 VAL A2130 14.867 12.167 2.108 1.00 5.79 H new ATOM 0 HG12 VAL A2130 14.194 11.719 0.523 1.00 5.79 H new ATOM 0 HG13 VAL A2130 14.511 10.462 1.743 1.00 5.79 H new ATOM 0 HG21 VAL A2130 17.203 11.618 2.677 1.00 5.88 H new ATOM 0 HG22 VAL A2130 16.912 9.895 2.338 1.00 5.88 H new ATOM 0 HG23 VAL A2130 18.233 10.754 1.512 1.00 5.88 H new TER 1172 VAL A2130