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: A2115 ASN : amide:sc= -0.76 X(o=0.47,f=0.39) USER MOD Set 1.2: A2117 THR OG1 : rot 87:sc= 1.23 USER MOD Set 2.1: A2093 THR OG1 : rot -94:sc= 0.459 USER MOD Set 2.2: A2095 THR OG1 : rot 180:sc= 0.423 USER MOD Set 3.1: A2081 GLN : amide:sc= 0.621 K(o=2.4,f=-3.9!) USER MOD Set 3.2: A2084 TYR OH : rot -49:sc= 1.8 USER MOD Set 4.1: A2077 THR OG1 : rot 180:sc= 0.604 USER MOD Set 4.2: A2083 THR OG1 : rot -104:sc= 0.532 USER MOD Set 5.1: A2053 GLN : amide:sc= -0.573 K(o=-0.36,f=-1.9!) USER MOD Set 5.2: A2122 THR OG1 : rot 76:sc= 0.211 USER MOD Single : A2064 THR OG1 : rot -15:sc= 1.08 USER MOD Single : A2068 THR OG1 : rot 180:sc= 0 USER MOD Single : A2073 SER OG : rot 180:sc= -1.05 USER MOD Single : A2074 LYS NZ :NH3+ 166:sc= -0.0286 (180deg=-0.196) USER MOD Single : A2076 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0639) USER MOD Single : A2085 THR OG1 : rot 180:sc= 0 USER MOD Single : A2091 THR OG1 : rot 180:sc= 0 USER MOD Single : A2098 LYS NZ :NH3+ -168:sc= -0.0133 (180deg=-0.144) USER MOD Single : A2099 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.0081) USER MOD Single : A2103 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0555) USER MOD Single : A2108 THR OG1 : rot 180:sc= 0 USER MOD Single : A2110 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0563) USER MOD Single : A2114 LYS NZ :NH3+ -173:sc= 1.07 (180deg=0.982) USER MOD Single : A2120 THR OG1 : rot 180:sc= 0 USER MOD Single : A2123 TYR OH : rot -51:sc= -1.04 USER MOD Single : A2124 SER OG : rot 161:sc= 1.26 USER MOD Single : A2128 THR OG1 : rot 180:sc= 0.00937 USER MOD Single : A2129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A2053 -0.772 9.669 -0.643 1.00 4.90 N ATOM 2 CA GLN A2053 -1.399 8.999 -1.803 1.00 4.58 C ATOM 3 C GLN A2053 -2.046 7.679 -1.392 1.00 3.90 C ATOM 4 O GLN A2053 -2.766 7.068 -2.179 1.00 4.20 O ATOM 5 CB GLN A2053 -0.359 8.745 -2.904 1.00 5.04 C ATOM 6 CG GLN A2053 0.788 7.837 -2.475 1.00 5.47 C ATOM 7 CD GLN A2053 1.756 7.520 -3.604 1.00 6.21 C ATOM 8 OE1 GLN A2053 2.362 6.447 -3.638 1.00 6.51 O ATOM 9 NE2 GLN A2053 1.920 8.450 -4.531 1.00 6.85 N ATOM 0 HA GLN A2053 -2.175 9.660 -2.189 1.00 4.58 H new ATOM 0 HB2 GLN A2053 -0.858 8.301 -3.765 1.00 5.04 H new ATOM 0 HB3 GLN A2053 0.050 9.701 -3.231 1.00 5.04 H new ATOM 0 HG2 GLN A2053 1.334 8.312 -1.660 1.00 5.47 H new ATOM 0 HG3 GLN A2053 0.379 6.906 -2.084 1.00 5.47 H new ATOM 0 HE21 GLN A2053 1.402 9.327 -4.471 1.00 6.85 H new ATOM 0 HE22 GLN A2053 2.564 8.290 -5.305 1.00 6.85 H new ATOM 18 N GLY A2054 -1.804 7.251 -0.156 1.00 3.41 N ATOM 19 CA GLY A2054 -2.264 5.947 0.280 1.00 3.09 C ATOM 20 C GLY A2054 -3.521 6.005 1.126 1.00 2.21 C ATOM 21 O GLY A2054 -4.095 4.969 1.468 1.00 2.29 O ATOM 0 H GLY A2054 -1.298 7.785 0.550 1.00 3.41 H new ATOM 0 HA2 GLY A2054 -2.452 5.325 -0.595 1.00 3.09 H new ATOM 0 HA3 GLY A2054 -1.472 5.463 0.851 1.00 3.09 H new ATOM 25 N GLY A2055 -3.957 7.208 1.459 1.00 1.77 N ATOM 26 CA GLY A2055 -5.131 7.364 2.286 1.00 1.45 C ATOM 27 C GLY A2055 -5.632 8.787 2.281 1.00 1.28 C ATOM 28 O GLY A2055 -4.930 9.701 2.712 1.00 1.66 O ATOM 0 H GLY A2055 -3.517 8.082 1.170 1.00 1.77 H new ATOM 0 HA2 GLY A2055 -5.918 6.700 1.929 1.00 1.45 H new ATOM 0 HA3 GLY A2055 -4.899 7.063 3.308 1.00 1.45 H new ATOM 32 N ASP A2056 -6.829 8.983 1.763 1.00 1.08 N ATOM 33 CA ASP A2056 -7.438 10.303 1.726 1.00 1.00 C ATOM 34 C ASP A2056 -8.469 10.450 2.837 1.00 1.03 C ATOM 35 O ASP A2056 -9.494 9.775 2.840 1.00 1.04 O ATOM 36 CB ASP A2056 -8.088 10.569 0.367 1.00 1.12 C ATOM 37 CG ASP A2056 -7.078 10.984 -0.684 1.00 1.80 C ATOM 38 OD1 ASP A2056 -7.070 12.172 -1.071 1.00 2.41 O ATOM 39 OD2 ASP A2056 -6.280 10.134 -1.121 1.00 2.42 O ATOM 0 H ASP A2056 -7.403 8.243 1.360 1.00 1.08 H new ATOM 0 HA ASP A2056 -6.649 11.039 1.880 1.00 1.00 H new ATOM 0 HB2 ASP A2056 -8.607 9.671 0.033 1.00 1.12 H new ATOM 0 HB3 ASP A2056 -8.840 11.351 0.474 1.00 1.12 H new ATOM 44 N PRO A2057 -8.194 11.340 3.802 1.00 1.20 N ATOM 45 CA PRO A2057 -9.082 11.588 4.951 1.00 1.36 C ATOM 46 C PRO A2057 -10.451 12.113 4.530 1.00 1.24 C ATOM 47 O PRO A2057 -11.483 11.650 5.010 1.00 1.34 O ATOM 48 CB PRO A2057 -8.335 12.662 5.749 1.00 1.72 C ATOM 49 CG PRO A2057 -7.405 13.287 4.766 1.00 1.71 C ATOM 50 CD PRO A2057 -6.984 12.178 3.858 1.00 1.41 C ATOM 0 HA PRO A2057 -9.283 10.674 5.509 1.00 1.36 H new ATOM 0 HB2 PRO A2057 -9.024 13.397 6.165 1.00 1.72 H new ATOM 0 HB3 PRO A2057 -7.791 12.226 6.587 1.00 1.72 H new ATOM 0 HG2 PRO A2057 -7.899 14.084 4.210 1.00 1.71 H new ATOM 0 HG3 PRO A2057 -6.545 13.733 5.267 1.00 1.71 H new ATOM 0 HD2 PRO A2057 -6.698 12.546 2.872 1.00 1.41 H new ATOM 0 HD3 PRO A2057 -6.129 11.631 4.254 1.00 1.41 H new ATOM 58 N LEU A2058 -10.433 13.101 3.646 1.00 1.18 N ATOM 59 CA LEU A2058 -11.626 13.691 3.084 1.00 1.17 C ATOM 60 C LEU A2058 -12.476 12.697 2.296 1.00 1.00 C ATOM 61 O LEU A2058 -13.665 12.927 2.085 1.00 1.06 O ATOM 62 CB LEU A2058 -11.243 14.889 2.209 1.00 1.35 C ATOM 63 CG LEU A2058 -9.779 14.976 1.765 1.00 1.71 C ATOM 64 CD1 LEU A2058 -9.366 13.713 1.063 1.00 2.34 C ATOM 65 CD2 LEU A2058 -9.564 16.180 0.863 1.00 2.10 C ATOM 0 H LEU A2058 -9.570 13.518 3.297 1.00 1.18 H new ATOM 0 HA LEU A2058 -12.246 14.022 3.917 1.00 1.17 H new ATOM 0 HB2 LEU A2058 -11.869 14.873 1.317 1.00 1.35 H new ATOM 0 HB3 LEU A2058 -11.488 15.801 2.754 1.00 1.35 H new ATOM 0 HG LEU A2058 -9.158 15.097 2.653 1.00 1.71 H new ATOM 0 HD11 LEU A2058 -8.324 13.792 0.755 1.00 2.34 H new ATOM 0 HD12 LEU A2058 -9.481 12.866 1.740 1.00 2.34 H new ATOM 0 HD13 LEU A2058 -9.994 13.563 0.185 1.00 2.34 H new ATOM 0 HD21 LEU A2058 -8.518 16.224 0.558 1.00 2.10 H new ATOM 0 HD22 LEU A2058 -10.196 16.090 -0.021 1.00 2.10 H new ATOM 0 HD23 LEU A2058 -9.823 17.090 1.403 1.00 2.10 H new ATOM 77 N VAL A2059 -11.878 11.597 1.866 1.00 0.86 N ATOM 78 CA VAL A2059 -12.607 10.597 1.102 1.00 0.74 C ATOM 79 C VAL A2059 -12.378 9.213 1.697 1.00 0.66 C ATOM 80 O VAL A2059 -11.466 8.496 1.279 1.00 0.62 O ATOM 81 CB VAL A2059 -12.184 10.586 -0.382 1.00 0.75 C ATOM 82 CG1 VAL A2059 -13.185 9.792 -1.210 1.00 0.80 C ATOM 83 CG2 VAL A2059 -12.040 12.007 -0.910 1.00 0.87 C ATOM 0 H VAL A2059 -10.896 11.375 2.032 1.00 0.86 H new ATOM 0 HA VAL A2059 -13.664 10.857 1.154 1.00 0.74 H new ATOM 0 HB VAL A2059 -11.212 10.100 -0.465 1.00 0.75 H new ATOM 0 HG11 VAL A2059 -12.874 9.792 -2.255 1.00 0.80 H new ATOM 0 HG12 VAL A2059 -13.227 8.766 -0.844 1.00 0.80 H new ATOM 0 HG13 VAL A2059 -14.171 10.248 -1.124 1.00 0.80 H new ATOM 0 HG21 VAL A2059 -11.741 11.977 -1.958 1.00 0.87 H new ATOM 0 HG22 VAL A2059 -12.994 12.527 -0.819 1.00 0.87 H new ATOM 0 HG23 VAL A2059 -11.282 12.535 -0.331 1.00 0.87 H new ATOM 93 N PRO A2060 -13.190 8.829 2.693 1.00 0.71 N ATOM 94 CA PRO A2060 -13.041 7.543 3.374 1.00 0.72 C ATOM 95 C PRO A2060 -13.160 6.368 2.407 1.00 0.59 C ATOM 96 O PRO A2060 -14.129 6.264 1.649 1.00 0.58 O ATOM 97 CB PRO A2060 -14.189 7.524 4.393 1.00 0.87 C ATOM 98 CG PRO A2060 -15.148 8.567 3.927 1.00 1.04 C ATOM 99 CD PRO A2060 -14.321 9.607 3.228 1.00 0.86 C ATOM 0 HA PRO A2060 -12.059 7.440 3.835 1.00 0.72 H new ATOM 0 HB2 PRO A2060 -14.663 6.543 4.433 1.00 0.87 H new ATOM 0 HB3 PRO A2060 -13.827 7.744 5.397 1.00 0.87 H new ATOM 0 HG2 PRO A2060 -15.891 8.141 3.252 1.00 1.04 H new ATOM 0 HG3 PRO A2060 -15.692 9.000 4.767 1.00 1.04 H new ATOM 0 HD2 PRO A2060 -14.881 10.102 2.435 1.00 0.86 H new ATOM 0 HD3 PRO A2060 -13.987 10.385 3.915 1.00 0.86 H new ATOM 107 N ILE A2061 -12.155 5.500 2.425 1.00 0.62 N ATOM 108 CA ILE A2061 -12.128 4.332 1.558 1.00 0.56 C ATOM 109 C ILE A2061 -13.338 3.445 1.825 1.00 0.51 C ATOM 110 O ILE A2061 -13.663 3.151 2.979 1.00 0.57 O ATOM 111 CB ILE A2061 -10.835 3.512 1.757 1.00 0.69 C ATOM 112 CG1 ILE A2061 -9.599 4.403 1.593 1.00 0.77 C ATOM 113 CG2 ILE A2061 -10.784 2.341 0.783 1.00 0.75 C ATOM 114 CD1 ILE A2061 -9.561 5.162 0.284 1.00 0.76 C ATOM 0 H ILE A2061 -11.343 5.586 3.036 1.00 0.62 H new ATOM 0 HA ILE A2061 -12.156 4.687 0.528 1.00 0.56 H new ATOM 0 HB ILE A2061 -10.838 3.113 2.771 1.00 0.69 H new ATOM 0 HG12 ILE A2061 -9.565 5.116 2.417 1.00 0.77 H new ATOM 0 HG13 ILE A2061 -8.705 3.785 1.670 1.00 0.77 H new ATOM 0 HG21 ILE A2061 -9.865 1.777 0.940 1.00 0.75 H new ATOM 0 HG22 ILE A2061 -11.642 1.691 0.951 1.00 0.75 H new ATOM 0 HG23 ILE A2061 -10.808 2.717 -0.240 1.00 0.75 H new ATOM 0 HD11 ILE A2061 -8.657 5.770 0.242 1.00 0.76 H new ATOM 0 HD12 ILE A2061 -9.562 4.456 -0.546 1.00 0.76 H new ATOM 0 HD13 ILE A2061 -10.436 5.808 0.212 1.00 0.76 H new ATOM 126 N ASP A2062 -13.998 3.023 0.759 1.00 0.45 N ATOM 127 CA ASP A2062 -15.217 2.241 0.881 1.00 0.43 C ATOM 128 C ASP A2062 -14.893 0.790 1.216 1.00 0.43 C ATOM 129 O ASP A2062 -13.973 0.200 0.655 1.00 0.43 O ATOM 130 CB ASP A2062 -16.030 2.318 -0.406 1.00 0.44 C ATOM 131 CG ASP A2062 -17.415 1.741 -0.235 1.00 0.71 C ATOM 132 OD1 ASP A2062 -17.563 0.509 -0.329 1.00 1.42 O ATOM 133 OD2 ASP A2062 -18.361 2.521 0.010 1.00 1.40 O ATOM 0 H ASP A2062 -13.710 3.209 -0.202 1.00 0.45 H new ATOM 0 HA ASP A2062 -15.811 2.658 1.694 1.00 0.43 H new ATOM 0 HB2 ASP A2062 -16.107 3.358 -0.725 1.00 0.44 H new ATOM 0 HB3 ASP A2062 -15.508 1.780 -1.197 1.00 0.44 H new ATOM 138 N GLU A2063 -15.662 0.216 2.120 1.00 0.47 N ATOM 139 CA GLU A2063 -15.357 -1.103 2.646 1.00 0.52 C ATOM 140 C GLU A2063 -16.082 -2.205 1.875 1.00 0.51 C ATOM 141 O GLU A2063 -15.915 -3.389 2.172 1.00 0.58 O ATOM 142 CB GLU A2063 -15.702 -1.151 4.136 1.00 0.64 C ATOM 143 CG GLU A2063 -14.965 -0.088 4.940 1.00 0.72 C ATOM 144 CD GLU A2063 -15.294 -0.112 6.417 1.00 0.87 C ATOM 145 OE1 GLU A2063 -14.566 -0.780 7.182 1.00 1.55 O ATOM 146 OE2 GLU A2063 -16.269 0.552 6.827 1.00 1.30 O ATOM 0 H GLU A2063 -16.504 0.642 2.507 1.00 0.47 H new ATOM 0 HA GLU A2063 -14.290 -1.285 2.521 1.00 0.52 H new ATOM 0 HB2 GLU A2063 -16.776 -1.017 4.261 1.00 0.64 H new ATOM 0 HB3 GLU A2063 -15.456 -2.137 4.531 1.00 0.64 H new ATOM 0 HG2 GLU A2063 -13.891 -0.227 4.813 1.00 0.72 H new ATOM 0 HG3 GLU A2063 -15.209 0.895 4.537 1.00 0.72 H new ATOM 153 N THR A2064 -16.870 -1.828 0.873 1.00 0.49 N ATOM 154 CA THR A2064 -17.563 -2.817 0.056 1.00 0.54 C ATOM 155 C THR A2064 -16.952 -2.904 -1.341 1.00 0.50 C ATOM 156 O THR A2064 -17.381 -3.712 -2.169 1.00 0.59 O ATOM 157 CB THR A2064 -19.075 -2.527 -0.062 1.00 0.60 C ATOM 158 OG1 THR A2064 -19.304 -1.267 -0.707 1.00 0.58 O ATOM 159 CG2 THR A2064 -19.729 -2.526 1.311 1.00 0.69 C ATOM 0 H THR A2064 -17.043 -0.858 0.610 1.00 0.49 H new ATOM 0 HA THR A2064 -17.440 -3.773 0.565 1.00 0.54 H new ATOM 0 HB THR A2064 -19.520 -3.317 -0.667 1.00 0.60 H new ATOM 0 HG1 THR A2064 -18.470 -0.753 -0.726 1.00 0.58 H new ATOM 0 HG21 THR A2064 -20.794 -2.320 1.206 1.00 0.69 H new ATOM 0 HG22 THR A2064 -19.592 -3.500 1.780 1.00 0.69 H new ATOM 0 HG23 THR A2064 -19.270 -1.757 1.932 1.00 0.69 H new ATOM 167 N VAL A2065 -15.949 -2.072 -1.601 1.00 0.44 N ATOM 168 CA VAL A2065 -15.271 -2.080 -2.893 1.00 0.43 C ATOM 169 C VAL A2065 -14.100 -3.051 -2.865 1.00 0.37 C ATOM 170 O VAL A2065 -13.893 -3.744 -1.869 1.00 0.46 O ATOM 171 CB VAL A2065 -14.760 -0.679 -3.278 1.00 0.48 C ATOM 172 CG1 VAL A2065 -15.912 0.305 -3.360 1.00 0.82 C ATOM 173 CG2 VAL A2065 -13.708 -0.200 -2.293 1.00 0.57 C ATOM 0 H VAL A2065 -15.588 -1.386 -0.938 1.00 0.44 H new ATOM 0 HA VAL A2065 -15.999 -2.396 -3.640 1.00 0.43 H new ATOM 0 HB VAL A2065 -14.296 -0.742 -4.262 1.00 0.48 H new ATOM 0 HG11 VAL A2065 -15.531 1.289 -3.633 1.00 0.82 H new ATOM 0 HG12 VAL A2065 -16.624 -0.031 -4.114 1.00 0.82 H new ATOM 0 HG13 VAL A2065 -16.409 0.364 -2.392 1.00 0.82 H new ATOM 0 HG21 VAL A2065 -13.361 0.791 -2.584 1.00 0.57 H new ATOM 0 HG22 VAL A2065 -14.140 -0.154 -1.293 1.00 0.57 H new ATOM 0 HG23 VAL A2065 -12.867 -0.893 -2.293 1.00 0.57 H new ATOM 183 N GLU A2066 -13.337 -3.103 -3.952 1.00 0.34 N ATOM 184 CA GLU A2066 -12.182 -3.985 -4.022 1.00 0.32 C ATOM 185 C GLU A2066 -10.904 -3.265 -3.603 1.00 0.26 C ATOM 186 O GLU A2066 -10.451 -2.326 -4.271 1.00 0.28 O ATOM 187 CB GLU A2066 -12.003 -4.558 -5.429 1.00 0.40 C ATOM 188 CG GLU A2066 -10.764 -5.433 -5.557 1.00 0.43 C ATOM 189 CD GLU A2066 -10.603 -6.047 -6.928 1.00 0.61 C ATOM 190 OE1 GLU A2066 -9.860 -5.485 -7.759 1.00 0.68 O ATOM 191 OE2 GLU A2066 -11.207 -7.111 -7.178 1.00 0.78 O ATOM 0 H GLU A2066 -13.498 -2.547 -4.792 1.00 0.34 H new ATOM 0 HA GLU A2066 -12.369 -4.804 -3.327 1.00 0.32 H new ATOM 0 HB2 GLU A2066 -12.884 -5.143 -5.693 1.00 0.40 H new ATOM 0 HB3 GLU A2066 -11.939 -3.738 -6.145 1.00 0.40 H new ATOM 0 HG2 GLU A2066 -9.881 -4.836 -5.328 1.00 0.43 H new ATOM 0 HG3 GLU A2066 -10.812 -6.229 -4.814 1.00 0.43 H new ATOM 198 N PRO A2067 -10.337 -3.653 -2.458 1.00 0.27 N ATOM 199 CA PRO A2067 -9.006 -3.259 -2.067 1.00 0.30 C ATOM 200 C PRO A2067 -7.994 -4.378 -2.330 1.00 0.28 C ATOM 201 O PRO A2067 -7.967 -5.383 -1.622 1.00 0.34 O ATOM 202 CB PRO A2067 -9.184 -3.016 -0.569 1.00 0.41 C ATOM 203 CG PRO A2067 -10.365 -3.856 -0.150 1.00 0.45 C ATOM 204 CD PRO A2067 -10.959 -4.455 -1.403 1.00 0.37 C ATOM 0 HA PRO A2067 -8.620 -2.399 -2.614 1.00 0.30 H new ATOM 0 HB2 PRO A2067 -8.288 -3.301 -0.018 1.00 0.41 H new ATOM 0 HB3 PRO A2067 -9.363 -1.961 -0.363 1.00 0.41 H new ATOM 0 HG2 PRO A2067 -10.053 -4.640 0.540 1.00 0.45 H new ATOM 0 HG3 PRO A2067 -11.103 -3.247 0.372 1.00 0.45 H new ATOM 0 HD2 PRO A2067 -10.718 -5.513 -1.501 1.00 0.37 H new ATOM 0 HD3 PRO A2067 -12.046 -4.373 -1.417 1.00 0.37 H new ATOM 212 N THR A2068 -7.162 -4.198 -3.343 1.00 0.29 N ATOM 213 CA THR A2068 -6.187 -5.210 -3.725 1.00 0.32 C ATOM 214 C THR A2068 -4.915 -4.558 -4.233 1.00 0.39 C ATOM 215 O THR A2068 -4.954 -3.494 -4.848 1.00 0.70 O ATOM 216 CB THR A2068 -6.733 -6.137 -4.829 1.00 0.34 C ATOM 217 OG1 THR A2068 -7.317 -5.357 -5.880 1.00 0.38 O ATOM 218 CG2 THR A2068 -7.759 -7.114 -4.277 1.00 0.36 C ATOM 0 H THR A2068 -7.142 -3.356 -3.919 1.00 0.29 H new ATOM 0 HA THR A2068 -5.978 -5.801 -2.834 1.00 0.32 H new ATOM 0 HB THR A2068 -5.898 -6.714 -5.226 1.00 0.34 H new ATOM 0 HG1 THR A2068 -7.660 -5.953 -6.578 1.00 0.38 H new ATOM 0 HG21 THR A2068 -8.123 -7.752 -5.082 1.00 0.36 H new ATOM 0 HG22 THR A2068 -7.297 -7.730 -3.506 1.00 0.36 H new ATOM 0 HG23 THR A2068 -8.594 -6.561 -3.847 1.00 0.36 H new ATOM 226 N PHE A2069 -3.787 -5.191 -3.977 1.00 0.25 N ATOM 227 CA PHE A2069 -2.522 -4.673 -4.459 1.00 0.26 C ATOM 228 C PHE A2069 -2.475 -4.878 -5.960 1.00 0.27 C ATOM 229 O PHE A2069 -3.060 -5.847 -6.440 1.00 0.31 O ATOM 230 CB PHE A2069 -1.333 -5.378 -3.791 1.00 0.31 C ATOM 231 CG PHE A2069 -1.305 -5.307 -2.281 1.00 0.28 C ATOM 232 CD1 PHE A2069 -2.432 -4.951 -1.550 1.00 1.14 C ATOM 233 CD2 PHE A2069 -0.145 -5.619 -1.593 1.00 1.12 C ATOM 234 CE1 PHE A2069 -2.401 -4.909 -0.174 1.00 1.16 C ATOM 235 CE2 PHE A2069 -0.109 -5.574 -0.214 1.00 1.15 C ATOM 236 CZ PHE A2069 -1.240 -5.220 0.493 1.00 0.42 C ATOM 0 H PHE A2069 -3.720 -6.057 -3.443 1.00 0.25 H new ATOM 0 HA PHE A2069 -2.447 -3.614 -4.211 1.00 0.26 H new ATOM 0 HB2 PHE A2069 -1.339 -6.426 -4.089 1.00 0.31 H new ATOM 0 HB3 PHE A2069 -0.411 -4.943 -4.176 1.00 0.31 H new ATOM 0 HD1 PHE A2069 -3.346 -4.703 -2.069 1.00 1.14 H new ATOM 0 HD2 PHE A2069 0.742 -5.901 -2.141 1.00 1.12 H new ATOM 0 HE1 PHE A2069 -3.286 -4.633 0.380 1.00 1.16 H new ATOM 0 HE2 PHE A2069 0.803 -5.816 0.311 1.00 1.15 H new ATOM 0 HZ PHE A2069 -1.213 -5.187 1.572 1.00 0.42 H new ATOM 246 N GLU A2070 -1.813 -3.996 -6.697 1.00 0.30 N ATOM 247 CA GLU A2070 -1.885 -4.020 -8.159 1.00 0.36 C ATOM 248 C GLU A2070 -1.543 -5.410 -8.711 1.00 0.36 C ATOM 249 O GLU A2070 -2.165 -5.890 -9.666 1.00 0.44 O ATOM 250 CB GLU A2070 -0.952 -2.966 -8.763 1.00 0.52 C ATOM 251 CG GLU A2070 -1.077 -2.841 -10.273 1.00 0.66 C ATOM 252 CD GLU A2070 -0.226 -1.730 -10.847 1.00 1.36 C ATOM 253 OE1 GLU A2070 0.994 -1.934 -11.018 1.00 2.09 O ATOM 254 OE2 GLU A2070 -0.776 -0.647 -11.150 1.00 2.01 O ATOM 0 H GLU A2070 -1.223 -3.258 -6.313 1.00 0.30 H new ATOM 0 HA GLU A2070 -2.911 -3.785 -8.444 1.00 0.36 H new ATOM 0 HB2 GLU A2070 -1.165 -1.999 -8.307 1.00 0.52 H new ATOM 0 HB3 GLU A2070 0.078 -3.217 -8.511 1.00 0.52 H new ATOM 0 HG2 GLU A2070 -0.791 -3.786 -10.735 1.00 0.66 H new ATOM 0 HG3 GLU A2070 -2.121 -2.663 -10.532 1.00 0.66 H new ATOM 261 N ASP A2071 -0.577 -6.065 -8.068 1.00 0.40 N ATOM 262 CA ASP A2071 -0.132 -7.401 -8.463 1.00 0.53 C ATOM 263 C ASP A2071 -1.215 -8.462 -8.218 1.00 0.50 C ATOM 264 O ASP A2071 -1.120 -9.586 -8.709 1.00 0.62 O ATOM 265 CB ASP A2071 1.145 -7.771 -7.697 1.00 0.69 C ATOM 266 CG ASP A2071 1.702 -9.129 -8.080 1.00 1.42 C ATOM 267 OD1 ASP A2071 2.359 -9.233 -9.136 1.00 2.06 O ATOM 268 OD2 ASP A2071 1.499 -10.097 -7.318 1.00 2.15 O ATOM 0 H ASP A2071 -0.082 -5.686 -7.261 1.00 0.40 H new ATOM 0 HA ASP A2071 0.072 -7.380 -9.533 1.00 0.53 H new ATOM 0 HB2 ASP A2071 1.904 -7.010 -7.880 1.00 0.69 H new ATOM 0 HB3 ASP A2071 0.935 -7.761 -6.628 1.00 0.69 H new ATOM 273 N GLY A2072 -2.260 -8.091 -7.490 1.00 0.43 N ATOM 274 CA GLY A2072 -3.293 -9.042 -7.135 1.00 0.48 C ATOM 275 C GLY A2072 -3.009 -9.721 -5.810 1.00 0.48 C ATOM 276 O GLY A2072 -3.398 -10.867 -5.597 1.00 0.63 O ATOM 0 H GLY A2072 -2.410 -7.145 -7.138 1.00 0.43 H new ATOM 0 HA2 GLY A2072 -4.254 -8.530 -7.081 1.00 0.48 H new ATOM 0 HA3 GLY A2072 -3.376 -9.796 -7.918 1.00 0.48 H new ATOM 280 N SER A2073 -2.325 -9.015 -4.923 1.00 0.37 N ATOM 281 CA SER A2073 -1.962 -9.567 -3.624 1.00 0.38 C ATOM 282 C SER A2073 -2.748 -8.895 -2.498 1.00 0.35 C ATOM 283 O SER A2073 -3.327 -7.820 -2.683 1.00 0.38 O ATOM 284 CB SER A2073 -0.454 -9.416 -3.407 1.00 0.46 C ATOM 285 OG SER A2073 0.019 -8.182 -3.925 1.00 0.89 O ATOM 0 H SER A2073 -2.009 -8.058 -5.078 1.00 0.37 H new ATOM 0 HA SER A2073 -2.218 -10.626 -3.609 1.00 0.38 H new ATOM 0 HB2 SER A2073 -0.230 -9.476 -2.342 1.00 0.46 H new ATOM 0 HB3 SER A2073 0.070 -10.241 -3.890 1.00 0.46 H new ATOM 0 HG SER A2073 0.984 -8.111 -3.771 1.00 0.89 H new ATOM 291 N LYS A2074 -2.787 -9.554 -1.343 1.00 0.35 N ATOM 292 CA LYS A2074 -3.511 -9.045 -0.183 1.00 0.34 C ATOM 293 C LYS A2074 -2.545 -8.623 0.923 1.00 0.34 C ATOM 294 O LYS A2074 -2.898 -7.848 1.809 1.00 0.42 O ATOM 295 CB LYS A2074 -4.481 -10.106 0.346 1.00 0.39 C ATOM 296 CG LYS A2074 -5.587 -10.476 -0.633 1.00 0.53 C ATOM 297 CD LYS A2074 -6.537 -9.315 -0.874 1.00 0.43 C ATOM 298 CE LYS A2074 -7.682 -9.701 -1.798 1.00 0.55 C ATOM 299 NZ LYS A2074 -8.525 -10.786 -1.229 1.00 1.13 N ATOM 0 H LYS A2074 -2.322 -10.448 -1.186 1.00 0.35 H new ATOM 0 HA LYS A2074 -4.078 -8.169 -0.497 1.00 0.34 H new ATOM 0 HB2 LYS A2074 -3.918 -11.004 0.599 1.00 0.39 H new ATOM 0 HB3 LYS A2074 -4.933 -9.743 1.269 1.00 0.39 H new ATOM 0 HG2 LYS A2074 -5.146 -10.787 -1.580 1.00 0.53 H new ATOM 0 HG3 LYS A2074 -6.145 -11.328 -0.246 1.00 0.53 H new ATOM 0 HD2 LYS A2074 -6.940 -8.972 0.079 1.00 0.43 H new ATOM 0 HD3 LYS A2074 -5.987 -8.480 -1.307 1.00 0.43 H new ATOM 0 HE2 LYS A2074 -8.302 -8.825 -1.990 1.00 0.55 H new ATOM 0 HE3 LYS A2074 -7.279 -10.023 -2.758 1.00 0.55 H new ATOM 0 HZ1 LYS A2074 -9.413 -10.853 -1.766 1.00 1.13 H new ATOM 0 HZ2 LYS A2074 -8.014 -11.690 -1.289 1.00 1.13 H new ATOM 0 HZ3 LYS A2074 -8.738 -10.574 -0.233 1.00 1.13 H new ATOM 313 N GLU A2075 -1.334 -9.151 0.875 1.00 0.33 N ATOM 314 CA GLU A2075 -0.295 -8.771 1.819 1.00 0.32 C ATOM 315 C GLU A2075 1.060 -8.836 1.155 1.00 0.34 C ATOM 316 O GLU A2075 1.322 -9.718 0.338 1.00 0.47 O ATOM 317 CB GLU A2075 -0.306 -9.671 3.056 1.00 0.36 C ATOM 318 CG GLU A2075 -0.980 -9.055 4.252 1.00 0.91 C ATOM 319 CD GLU A2075 -1.299 -10.074 5.324 1.00 1.40 C ATOM 320 OE1 GLU A2075 -2.433 -10.595 5.344 1.00 2.08 O ATOM 321 OE2 GLU A2075 -0.407 -10.373 6.145 1.00 1.88 O ATOM 0 H GLU A2075 -1.044 -9.848 0.189 1.00 0.33 H new ATOM 0 HA GLU A2075 -0.496 -7.749 2.140 1.00 0.32 H new ATOM 0 HB2 GLU A2075 -0.809 -10.606 2.809 1.00 0.36 H new ATOM 0 HB3 GLU A2075 0.721 -9.922 3.320 1.00 0.36 H new ATOM 0 HG2 GLU A2075 -0.336 -8.282 4.670 1.00 0.91 H new ATOM 0 HG3 GLU A2075 -1.901 -8.566 3.935 1.00 0.91 H new ATOM 328 N LYS A2076 1.912 -7.892 1.496 1.00 0.35 N ATOM 329 CA LYS A2076 3.261 -7.873 0.975 1.00 0.38 C ATOM 330 C LYS A2076 4.213 -7.435 2.076 1.00 0.37 C ATOM 331 O LYS A2076 4.068 -6.345 2.630 1.00 0.37 O ATOM 332 CB LYS A2076 3.352 -6.928 -0.231 1.00 0.44 C ATOM 333 CG LYS A2076 4.376 -7.359 -1.268 1.00 0.88 C ATOM 334 CD LYS A2076 5.791 -7.299 -0.727 1.00 0.91 C ATOM 335 CE LYS A2076 6.685 -8.328 -1.395 1.00 0.88 C ATOM 336 NZ LYS A2076 6.699 -8.189 -2.873 1.00 1.48 N ATOM 0 H LYS A2076 1.693 -7.126 2.133 1.00 0.35 H new ATOM 0 HA LYS A2076 3.538 -8.872 0.640 1.00 0.38 H new ATOM 0 HB2 LYS A2076 2.373 -6.863 -0.705 1.00 0.44 H new ATOM 0 HB3 LYS A2076 3.603 -5.927 0.121 1.00 0.44 H new ATOM 0 HG2 LYS A2076 4.156 -8.375 -1.595 1.00 0.88 H new ATOM 0 HG3 LYS A2076 4.296 -6.717 -2.145 1.00 0.88 H new ATOM 0 HD2 LYS A2076 6.201 -6.301 -0.886 1.00 0.91 H new ATOM 0 HD3 LYS A2076 5.778 -7.471 0.349 1.00 0.91 H new ATOM 0 HE2 LYS A2076 7.701 -8.226 -1.013 1.00 0.88 H new ATOM 0 HE3 LYS A2076 6.344 -9.329 -1.130 1.00 0.88 H new ATOM 0 HZ1 LYS A2076 7.467 -8.768 -3.269 1.00 1.48 H new ATOM 0 HZ2 LYS A2076 5.789 -8.510 -3.260 1.00 1.48 H new ATOM 0 HZ3 LYS A2076 6.851 -7.192 -3.126 1.00 1.48 H new ATOM 350 N THR A2077 5.157 -8.298 2.414 1.00 0.45 N ATOM 351 CA THR A2077 6.127 -7.989 3.446 1.00 0.47 C ATOM 352 C THR A2077 7.546 -8.102 2.922 1.00 0.52 C ATOM 353 O THR A2077 7.950 -9.132 2.376 1.00 0.63 O ATOM 354 CB THR A2077 5.980 -8.919 4.662 1.00 0.50 C ATOM 355 OG1 THR A2077 4.628 -8.890 5.132 1.00 0.48 O ATOM 356 CG2 THR A2077 6.927 -8.499 5.781 1.00 0.55 C ATOM 0 H THR A2077 5.270 -9.218 1.987 1.00 0.45 H new ATOM 0 HA THR A2077 5.930 -6.962 3.753 1.00 0.47 H new ATOM 0 HB THR A2077 6.237 -9.933 4.356 1.00 0.50 H new ATOM 0 HG1 THR A2077 4.538 -9.485 5.906 1.00 0.48 H new ATOM 0 HG21 THR A2077 6.806 -9.170 6.631 1.00 0.55 H new ATOM 0 HG22 THR A2077 7.956 -8.547 5.424 1.00 0.55 H new ATOM 0 HG23 THR A2077 6.697 -7.479 6.089 1.00 0.55 H new ATOM 364 N ILE A2078 8.291 -7.029 3.083 1.00 0.51 N ATOM 365 CA ILE A2078 9.704 -7.025 2.782 1.00 0.60 C ATOM 366 C ILE A2078 10.459 -6.550 4.013 1.00 0.60 C ATOM 367 O ILE A2078 10.189 -5.460 4.517 1.00 0.53 O ATOM 368 CB ILE A2078 10.018 -6.121 1.572 1.00 0.67 C ATOM 369 CG1 ILE A2078 9.298 -6.655 0.336 1.00 0.75 C ATOM 370 CG2 ILE A2078 11.521 -6.045 1.328 1.00 0.80 C ATOM 371 CD1 ILE A2078 9.343 -5.720 -0.845 1.00 1.62 C ATOM 0 H ILE A2078 7.934 -6.137 3.426 1.00 0.51 H new ATOM 0 HA ILE A2078 10.017 -8.035 2.518 1.00 0.60 H new ATOM 0 HB ILE A2078 9.664 -5.112 1.783 1.00 0.67 H new ATOM 0 HG12 ILE A2078 9.744 -7.608 0.051 1.00 0.75 H new ATOM 0 HG13 ILE A2078 8.257 -6.854 0.591 1.00 0.75 H new ATOM 0 HG21 ILE A2078 11.718 -5.402 0.470 1.00 0.80 H new ATOM 0 HG22 ILE A2078 12.012 -5.634 2.210 1.00 0.80 H new ATOM 0 HG23 ILE A2078 11.908 -7.044 1.129 1.00 0.80 H new ATOM 0 HD11 ILE A2078 8.811 -6.168 -1.684 1.00 1.62 H new ATOM 0 HD12 ILE A2078 8.870 -4.775 -0.579 1.00 1.62 H new ATOM 0 HD13 ILE A2078 10.380 -5.540 -1.127 1.00 1.62 H new ATOM 383 N PRO A2079 11.370 -7.387 4.539 1.00 0.72 N ATOM 384 CA PRO A2079 12.128 -7.086 5.759 1.00 0.79 C ATOM 385 C PRO A2079 12.727 -5.685 5.756 1.00 0.74 C ATOM 386 O PRO A2079 13.637 -5.384 4.977 1.00 0.76 O ATOM 387 CB PRO A2079 13.233 -8.137 5.752 1.00 0.94 C ATOM 388 CG PRO A2079 12.641 -9.293 5.030 1.00 0.98 C ATOM 389 CD PRO A2079 11.729 -8.708 3.986 1.00 0.85 C ATOM 0 HA PRO A2079 11.493 -7.113 6.644 1.00 0.79 H new ATOM 0 HB2 PRO A2079 14.127 -7.770 5.248 1.00 0.94 H new ATOM 0 HB3 PRO A2079 13.528 -8.410 6.765 1.00 0.94 H new ATOM 0 HG2 PRO A2079 13.417 -9.905 4.571 1.00 0.98 H new ATOM 0 HG3 PRO A2079 12.089 -9.938 5.713 1.00 0.98 H new ATOM 0 HD2 PRO A2079 12.230 -8.616 3.022 1.00 0.85 H new ATOM 0 HD3 PRO A2079 10.848 -9.330 3.830 1.00 0.85 H new ATOM 397 N GLY A2080 12.192 -4.829 6.613 1.00 0.73 N ATOM 398 CA GLY A2080 12.691 -3.479 6.729 1.00 0.76 C ATOM 399 C GLY A2080 11.821 -2.472 6.006 1.00 0.70 C ATOM 400 O GLY A2080 11.844 -1.291 6.330 1.00 0.94 O ATOM 0 H GLY A2080 11.414 -5.050 7.235 1.00 0.73 H new ATOM 0 HA2 GLY A2080 12.754 -3.208 7.783 1.00 0.76 H new ATOM 0 HA3 GLY A2080 13.703 -3.434 6.327 1.00 0.76 H new ATOM 404 N GLN A2081 11.035 -2.941 5.045 1.00 0.54 N ATOM 405 CA GLN A2081 10.230 -2.051 4.215 1.00 0.53 C ATOM 406 C GLN A2081 8.830 -1.892 4.797 1.00 0.50 C ATOM 407 O GLN A2081 8.199 -0.841 4.661 1.00 0.57 O ATOM 408 CB GLN A2081 10.158 -2.596 2.786 1.00 0.57 C ATOM 409 CG GLN A2081 9.296 -1.770 1.840 1.00 0.95 C ATOM 410 CD GLN A2081 9.375 -2.256 0.404 1.00 1.09 C ATOM 411 OE1 GLN A2081 10.408 -2.759 -0.039 1.00 2.02 O ATOM 412 NE2 GLN A2081 8.281 -2.126 -0.330 1.00 0.87 N ATOM 0 H GLN A2081 10.937 -3.931 4.821 1.00 0.54 H new ATOM 0 HA GLN A2081 10.702 -1.069 4.195 1.00 0.53 H new ATOM 0 HB2 GLN A2081 11.168 -2.653 2.381 1.00 0.57 H new ATOM 0 HB3 GLN A2081 9.769 -3.614 2.817 1.00 0.57 H new ATOM 0 HG2 GLN A2081 8.259 -1.805 2.175 1.00 0.95 H new ATOM 0 HG3 GLN A2081 9.611 -0.727 1.885 1.00 0.95 H new ATOM 0 HE21 GLN A2081 7.444 -1.704 0.072 1.00 0.87 H new ATOM 0 HE22 GLN A2081 8.275 -2.448 -1.298 1.00 0.87 H new ATOM 421 N GLY A2082 8.348 -2.944 5.444 1.00 0.47 N ATOM 422 CA GLY A2082 7.048 -2.891 6.082 1.00 0.50 C ATOM 423 C GLY A2082 6.079 -3.891 5.491 1.00 0.40 C ATOM 424 O GLY A2082 6.439 -4.662 4.596 1.00 0.45 O ATOM 0 H GLY A2082 8.835 -3.835 5.539 1.00 0.47 H new ATOM 0 HA2 GLY A2082 7.161 -3.084 7.149 1.00 0.50 H new ATOM 0 HA3 GLY A2082 6.637 -1.887 5.982 1.00 0.50 H new ATOM 428 N THR A2083 4.856 -3.886 5.996 1.00 0.33 N ATOM 429 CA THR A2083 3.812 -4.745 5.474 1.00 0.29 C ATOM 430 C THR A2083 2.576 -3.926 5.150 1.00 0.25 C ATOM 431 O THR A2083 2.235 -2.968 5.851 1.00 0.30 O ATOM 432 CB THR A2083 3.422 -5.868 6.464 1.00 0.36 C ATOM 433 OG1 THR A2083 4.589 -6.613 6.839 1.00 0.49 O ATOM 434 CG2 THR A2083 2.390 -6.820 5.847 1.00 0.36 C ATOM 0 H THR A2083 4.563 -3.292 6.772 1.00 0.33 H new ATOM 0 HA THR A2083 4.209 -5.211 4.572 1.00 0.29 H new ATOM 0 HB THR A2083 2.979 -5.401 7.344 1.00 0.36 H new ATOM 0 HG1 THR A2083 4.589 -7.476 6.375 1.00 0.49 H new ATOM 0 HG21 THR A2083 2.136 -7.598 6.567 1.00 0.36 H new ATOM 0 HG22 THR A2083 1.491 -6.262 5.584 1.00 0.36 H new ATOM 0 HG23 THR A2083 2.808 -7.278 4.950 1.00 0.36 H new ATOM 442 N TYR A2084 1.930 -4.285 4.070 1.00 0.28 N ATOM 443 CA TYR A2084 0.663 -3.698 3.711 1.00 0.34 C ATOM 444 C TYR A2084 -0.388 -4.793 3.809 1.00 0.32 C ATOM 445 O TYR A2084 -0.233 -5.847 3.193 1.00 0.29 O ATOM 446 CB TYR A2084 0.748 -3.121 2.294 1.00 0.43 C ATOM 447 CG TYR A2084 2.120 -2.562 1.968 1.00 0.44 C ATOM 448 CD1 TYR A2084 2.489 -1.280 2.357 1.00 1.13 C ATOM 449 CD2 TYR A2084 3.054 -3.334 1.286 1.00 1.38 C ATOM 450 CE1 TYR A2084 3.750 -0.784 2.076 1.00 1.15 C ATOM 451 CE2 TYR A2084 4.313 -2.845 0.999 1.00 1.44 C ATOM 452 CZ TYR A2084 4.657 -1.571 1.395 1.00 0.62 C ATOM 453 OH TYR A2084 5.917 -1.087 1.118 1.00 0.76 O ATOM 0 H TYR A2084 2.266 -4.991 3.415 1.00 0.28 H new ATOM 0 HA TYR A2084 0.397 -2.878 4.379 1.00 0.34 H new ATOM 0 HB2 TYR A2084 0.498 -3.900 1.574 1.00 0.43 H new ATOM 0 HB3 TYR A2084 0.004 -2.333 2.182 1.00 0.43 H new ATOM 0 HD1 TYR A2084 1.780 -0.661 2.887 1.00 1.13 H new ATOM 0 HD2 TYR A2084 2.790 -4.334 0.975 1.00 1.38 H new ATOM 0 HE1 TYR A2084 4.023 0.213 2.388 1.00 1.15 H new ATOM 0 HE2 TYR A2084 5.025 -3.458 0.467 1.00 1.44 H new ATOM 0 HH TYR A2084 5.845 -0.192 0.725 1.00 0.76 H new ATOM 463 N THR A2085 -1.415 -4.584 4.619 1.00 0.39 N ATOM 464 CA THR A2085 -2.387 -5.638 4.875 1.00 0.40 C ATOM 465 C THR A2085 -3.805 -5.210 4.524 1.00 0.41 C ATOM 466 O THR A2085 -4.262 -4.137 4.928 1.00 0.49 O ATOM 467 CB THR A2085 -2.352 -6.092 6.353 1.00 0.46 C ATOM 468 OG1 THR A2085 -2.452 -4.958 7.223 1.00 0.63 O ATOM 469 CG2 THR A2085 -1.077 -6.859 6.669 1.00 0.57 C ATOM 0 H THR A2085 -1.597 -3.706 5.105 1.00 0.39 H new ATOM 0 HA THR A2085 -2.104 -6.471 4.232 1.00 0.40 H new ATOM 0 HB THR A2085 -3.203 -6.754 6.513 1.00 0.46 H new ATOM 0 HG1 THR A2085 -2.430 -5.258 8.156 1.00 0.63 H new ATOM 0 HG21 THR A2085 -1.085 -7.163 7.716 1.00 0.57 H new ATOM 0 HG22 THR A2085 -1.018 -7.743 6.035 1.00 0.57 H new ATOM 0 HG23 THR A2085 -0.213 -6.221 6.483 1.00 0.57 H new ATOM 477 N ILE A2086 -4.487 -6.047 3.754 1.00 0.39 N ATOM 478 CA ILE A2086 -5.906 -5.870 3.502 1.00 0.40 C ATOM 479 C ILE A2086 -6.670 -7.102 3.956 1.00 0.45 C ATOM 480 O ILE A2086 -6.309 -8.234 3.625 1.00 0.55 O ATOM 481 CB ILE A2086 -6.216 -5.554 2.008 1.00 0.47 C ATOM 482 CG1 ILE A2086 -7.735 -5.566 1.729 1.00 0.56 C ATOM 483 CG2 ILE A2086 -5.492 -6.513 1.078 1.00 0.57 C ATOM 484 CD1 ILE A2086 -8.307 -6.911 1.309 1.00 1.18 C ATOM 0 H ILE A2086 -4.076 -6.858 3.292 1.00 0.39 H new ATOM 0 HA ILE A2086 -6.232 -5.004 4.079 1.00 0.40 H new ATOM 0 HB ILE A2086 -5.848 -4.548 1.809 1.00 0.47 H new ATOM 0 HG12 ILE A2086 -8.255 -5.233 2.627 1.00 0.56 H new ATOM 0 HG13 ILE A2086 -7.950 -4.838 0.947 1.00 0.56 H new ATOM 0 HG21 ILE A2086 -5.729 -6.265 0.043 1.00 0.57 H new ATOM 0 HG22 ILE A2086 -4.416 -6.428 1.234 1.00 0.57 H new ATOM 0 HG23 ILE A2086 -5.810 -7.534 1.289 1.00 0.57 H new ATOM 0 HD11 ILE A2086 -9.379 -6.813 1.137 1.00 1.18 H new ATOM 0 HD12 ILE A2086 -7.821 -7.242 0.391 1.00 1.18 H new ATOM 0 HD13 ILE A2086 -8.131 -7.643 2.097 1.00 1.18 H new ATOM 496 N VAL A2087 -7.710 -6.874 4.735 1.00 0.49 N ATOM 497 CA VAL A2087 -8.592 -7.941 5.165 1.00 0.59 C ATOM 498 C VAL A2087 -9.946 -7.790 4.479 1.00 0.58 C ATOM 499 O VAL A2087 -10.375 -6.669 4.180 1.00 0.53 O ATOM 500 CB VAL A2087 -8.769 -7.953 6.701 1.00 0.73 C ATOM 501 CG1 VAL A2087 -7.484 -8.395 7.382 1.00 0.78 C ATOM 502 CG2 VAL A2087 -9.193 -6.585 7.208 1.00 0.80 C ATOM 0 H VAL A2087 -7.966 -5.951 5.085 1.00 0.49 H new ATOM 0 HA VAL A2087 -8.140 -8.891 4.881 1.00 0.59 H new ATOM 0 HB VAL A2087 -9.556 -8.667 6.946 1.00 0.73 H new ATOM 0 HG11 VAL A2087 -7.627 -8.397 8.463 1.00 0.78 H new ATOM 0 HG12 VAL A2087 -7.222 -9.399 7.048 1.00 0.78 H new ATOM 0 HG13 VAL A2087 -6.680 -7.706 7.124 1.00 0.78 H new ATOM 0 HG21 VAL A2087 -9.311 -6.619 8.291 1.00 0.80 H new ATOM 0 HG22 VAL A2087 -8.432 -5.849 6.949 1.00 0.80 H new ATOM 0 HG23 VAL A2087 -10.141 -6.304 6.748 1.00 0.80 H new ATOM 512 N PRO A2088 -10.630 -8.921 4.218 1.00 0.66 N ATOM 513 CA PRO A2088 -11.880 -8.959 3.435 1.00 0.68 C ATOM 514 C PRO A2088 -13.023 -8.161 4.061 1.00 0.66 C ATOM 515 O PRO A2088 -14.126 -8.114 3.514 1.00 0.69 O ATOM 516 CB PRO A2088 -12.239 -10.448 3.391 1.00 0.81 C ATOM 517 CG PRO A2088 -11.493 -11.062 4.524 1.00 0.97 C ATOM 518 CD PRO A2088 -10.229 -10.267 4.661 1.00 0.78 C ATOM 0 HA PRO A2088 -11.735 -8.504 2.455 1.00 0.68 H new ATOM 0 HB2 PRO A2088 -13.313 -10.598 3.499 1.00 0.81 H new ATOM 0 HB3 PRO A2088 -11.949 -10.895 2.440 1.00 0.81 H new ATOM 0 HG2 PRO A2088 -12.079 -11.026 5.443 1.00 0.97 H new ATOM 0 HG3 PRO A2088 -11.275 -12.111 4.325 1.00 0.97 H new ATOM 0 HD2 PRO A2088 -9.866 -10.261 5.689 1.00 0.78 H new ATOM 0 HD3 PRO A2088 -9.429 -10.673 4.042 1.00 0.78 H new ATOM 526 N ASP A2089 -12.760 -7.541 5.205 1.00 0.67 N ATOM 527 CA ASP A2089 -13.727 -6.663 5.847 1.00 0.73 C ATOM 528 C ASP A2089 -13.886 -5.385 5.033 1.00 0.66 C ATOM 529 O ASP A2089 -14.814 -4.606 5.247 1.00 0.73 O ATOM 530 CB ASP A2089 -13.274 -6.312 7.267 1.00 0.85 C ATOM 531 CG ASP A2089 -13.100 -7.529 8.149 1.00 1.59 C ATOM 532 OD1 ASP A2089 -12.057 -8.206 8.035 1.00 2.29 O ATOM 533 OD2 ASP A2089 -13.999 -7.809 8.969 1.00 2.26 O ATOM 0 H ASP A2089 -11.878 -7.632 5.709 1.00 0.67 H new ATOM 0 HA ASP A2089 -14.684 -7.183 5.901 1.00 0.73 H new ATOM 0 HB2 ASP A2089 -12.331 -5.768 7.218 1.00 0.85 H new ATOM 0 HB3 ASP A2089 -14.005 -5.643 7.721 1.00 0.85 H new ATOM 538 N GLY A2090 -12.961 -5.175 4.104 1.00 0.59 N ATOM 539 CA GLY A2090 -13.001 -4.002 3.260 1.00 0.63 C ATOM 540 C GLY A2090 -12.130 -2.895 3.800 1.00 0.70 C ATOM 541 O GLY A2090 -12.220 -1.748 3.367 1.00 0.83 O ATOM 0 H GLY A2090 -12.179 -5.804 3.921 1.00 0.59 H new ATOM 0 HA2 GLY A2090 -12.672 -4.266 2.255 1.00 0.63 H new ATOM 0 HA3 GLY A2090 -14.029 -3.649 3.177 1.00 0.63 H new ATOM 545 N THR A2091 -11.274 -3.245 4.744 1.00 0.70 N ATOM 546 CA THR A2091 -10.413 -2.272 5.384 1.00 0.79 C ATOM 547 C THR A2091 -8.947 -2.633 5.158 1.00 0.60 C ATOM 548 O THR A2091 -8.567 -3.810 5.191 1.00 0.59 O ATOM 549 CB THR A2091 -10.724 -2.155 6.894 1.00 1.05 C ATOM 550 OG1 THR A2091 -9.886 -1.166 7.502 1.00 1.51 O ATOM 551 CG2 THR A2091 -10.543 -3.488 7.602 1.00 0.86 C ATOM 0 H THR A2091 -11.158 -4.200 5.084 1.00 0.70 H new ATOM 0 HA THR A2091 -10.605 -1.299 4.932 1.00 0.79 H new ATOM 0 HB THR A2091 -11.767 -1.854 6.993 1.00 1.05 H new ATOM 0 HG1 THR A2091 -10.096 -1.102 8.457 1.00 1.51 H new ATOM 0 HG21 THR A2091 -10.769 -3.371 8.662 1.00 0.86 H new ATOM 0 HG22 THR A2091 -11.217 -4.226 7.166 1.00 0.86 H new ATOM 0 HG23 THR A2091 -9.513 -3.825 7.486 1.00 0.86 H new ATOM 559 N VAL A2092 -8.135 -1.619 4.895 1.00 0.60 N ATOM 560 CA VAL A2092 -6.732 -1.814 4.568 1.00 0.54 C ATOM 561 C VAL A2092 -5.877 -0.824 5.340 1.00 0.55 C ATOM 562 O VAL A2092 -6.350 0.250 5.713 1.00 0.78 O ATOM 563 CB VAL A2092 -6.468 -1.597 3.061 1.00 0.79 C ATOM 564 CG1 VAL A2092 -5.089 -2.097 2.663 1.00 1.02 C ATOM 565 CG2 VAL A2092 -7.533 -2.259 2.214 1.00 1.18 C ATOM 0 H VAL A2092 -8.430 -0.642 4.902 1.00 0.60 H new ATOM 0 HA VAL A2092 -6.476 -2.839 4.836 1.00 0.54 H new ATOM 0 HB VAL A2092 -6.507 -0.523 2.879 1.00 0.79 H new ATOM 0 HG11 VAL A2092 -4.935 -1.930 1.597 1.00 1.02 H new ATOM 0 HG12 VAL A2092 -4.329 -1.558 3.229 1.00 1.02 H new ATOM 0 HG13 VAL A2092 -5.013 -3.163 2.878 1.00 1.02 H new ATOM 0 HG21 VAL A2092 -7.318 -2.087 1.159 1.00 1.18 H new ATOM 0 HG22 VAL A2092 -7.542 -3.331 2.413 1.00 1.18 H new ATOM 0 HG23 VAL A2092 -8.507 -1.836 2.459 1.00 1.18 H new ATOM 575 N THR A2093 -4.635 -1.187 5.587 1.00 0.47 N ATOM 576 CA THR A2093 -3.679 -0.257 6.143 1.00 0.53 C ATOM 577 C THR A2093 -2.378 -0.305 5.346 1.00 0.44 C ATOM 578 O THR A2093 -1.771 -1.368 5.172 1.00 0.41 O ATOM 579 CB THR A2093 -3.408 -0.523 7.643 1.00 0.71 C ATOM 580 OG1 THR A2093 -2.409 0.379 8.135 1.00 1.46 O ATOM 581 CG2 THR A2093 -2.959 -1.955 7.883 1.00 0.71 C ATOM 0 H THR A2093 -4.265 -2.121 5.411 1.00 0.47 H new ATOM 0 HA THR A2093 -4.110 0.741 6.069 1.00 0.53 H new ATOM 0 HB THR A2093 -4.343 -0.362 8.179 1.00 0.71 H new ATOM 0 HG1 THR A2093 -1.528 -0.047 8.081 1.00 1.46 H new ATOM 0 HG21 THR A2093 -2.778 -2.106 8.947 1.00 0.71 H new ATOM 0 HG22 THR A2093 -3.736 -2.641 7.546 1.00 0.71 H new ATOM 0 HG23 THR A2093 -2.041 -2.146 7.328 1.00 0.71 H new ATOM 589 N PHE A2094 -1.983 0.841 4.817 1.00 0.46 N ATOM 590 CA PHE A2094 -0.716 0.958 4.122 1.00 0.42 C ATOM 591 C PHE A2094 0.351 1.350 5.134 1.00 0.43 C ATOM 592 O PHE A2094 0.468 2.520 5.490 1.00 0.52 O ATOM 593 CB PHE A2094 -0.800 2.009 2.994 1.00 0.51 C ATOM 594 CG PHE A2094 -1.739 1.651 1.861 1.00 0.47 C ATOM 595 CD1 PHE A2094 -2.347 0.406 1.808 1.00 1.21 C ATOM 596 CD2 PHE A2094 -2.007 2.560 0.836 1.00 1.26 C ATOM 597 CE1 PHE A2094 -3.192 0.074 0.770 1.00 1.23 C ATOM 598 CE2 PHE A2094 -2.854 2.226 -0.200 1.00 1.27 C ATOM 599 CZ PHE A2094 -3.445 0.982 -0.234 1.00 0.55 C ATOM 0 H PHE A2094 -2.524 1.705 4.857 1.00 0.46 H new ATOM 0 HA PHE A2094 -0.463 0.003 3.661 1.00 0.42 H new ATOM 0 HB2 PHE A2094 -1.118 2.959 3.424 1.00 0.51 H new ATOM 0 HB3 PHE A2094 0.198 2.163 2.585 1.00 0.51 H new ATOM 0 HD1 PHE A2094 -2.156 -0.314 2.590 1.00 1.21 H new ATOM 0 HD2 PHE A2094 -1.546 3.536 0.854 1.00 1.26 H new ATOM 0 HE1 PHE A2094 -3.657 -0.901 0.744 1.00 1.23 H new ATOM 0 HE2 PHE A2094 -3.054 2.940 -0.985 1.00 1.27 H new ATOM 0 HZ PHE A2094 -4.106 0.719 -1.047 1.00 0.55 H new ATOM 609 N THR A2095 1.112 0.375 5.617 1.00 0.37 N ATOM 610 CA THR A2095 2.098 0.641 6.652 1.00 0.39 C ATOM 611 C THR A2095 3.521 0.431 6.136 1.00 0.37 C ATOM 612 O THR A2095 4.066 -0.673 6.201 1.00 0.37 O ATOM 613 CB THR A2095 1.852 -0.246 7.890 1.00 0.47 C ATOM 614 OG1 THR A2095 0.486 -0.113 8.317 1.00 0.58 O ATOM 615 CG2 THR A2095 2.778 0.146 9.035 1.00 0.58 C ATOM 0 H THR A2095 1.065 -0.597 5.311 1.00 0.37 H new ATOM 0 HA THR A2095 1.989 1.686 6.940 1.00 0.39 H new ATOM 0 HB THR A2095 2.057 -1.281 7.615 1.00 0.47 H new ATOM 0 HG1 THR A2095 0.332 -0.679 9.102 1.00 0.58 H new ATOM 0 HG21 THR A2095 2.584 -0.495 9.895 1.00 0.58 H new ATOM 0 HG22 THR A2095 3.815 0.028 8.721 1.00 0.58 H new ATOM 0 HG23 THR A2095 2.598 1.186 9.309 1.00 0.58 H new ATOM 623 N PRO A2096 4.123 1.493 5.588 1.00 0.50 N ATOM 624 CA PRO A2096 5.508 1.479 5.150 1.00 0.61 C ATOM 625 C PRO A2096 6.453 1.918 6.265 1.00 0.69 C ATOM 626 O PRO A2096 6.084 2.724 7.122 1.00 0.81 O ATOM 627 CB PRO A2096 5.496 2.497 4.016 1.00 0.88 C ATOM 628 CG PRO A2096 4.450 3.495 4.395 1.00 0.98 C ATOM 629 CD PRO A2096 3.498 2.804 5.344 1.00 0.69 C ATOM 0 HA PRO A2096 5.858 0.490 4.855 1.00 0.61 H new ATOM 0 HB2 PRO A2096 6.471 2.972 3.903 1.00 0.88 H new ATOM 0 HB3 PRO A2096 5.260 2.022 3.063 1.00 0.88 H new ATOM 0 HG2 PRO A2096 4.903 4.366 4.870 1.00 0.98 H new ATOM 0 HG3 PRO A2096 3.921 3.853 3.512 1.00 0.98 H new ATOM 0 HD2 PRO A2096 3.379 3.367 6.270 1.00 0.69 H new ATOM 0 HD3 PRO A2096 2.506 2.697 4.906 1.00 0.69 H new ATOM 637 N ASP A2097 7.663 1.386 6.261 1.00 0.89 N ATOM 638 CA ASP A2097 8.642 1.740 7.279 1.00 1.14 C ATOM 639 C ASP A2097 9.264 3.091 6.956 1.00 1.37 C ATOM 640 O ASP A2097 9.787 3.302 5.859 1.00 1.39 O ATOM 641 CB ASP A2097 9.727 0.675 7.385 1.00 1.24 C ATOM 642 CG ASP A2097 10.533 0.802 8.661 1.00 2.06 C ATOM 643 OD1 ASP A2097 11.314 1.769 8.795 1.00 2.61 O ATOM 644 OD2 ASP A2097 10.383 -0.068 9.546 1.00 2.72 O ATOM 0 H ASP A2097 7.992 0.712 5.570 1.00 0.89 H new ATOM 0 HA ASP A2097 8.131 1.802 8.240 1.00 1.14 H new ATOM 0 HB2 ASP A2097 9.269 -0.313 7.344 1.00 1.24 H new ATOM 0 HB3 ASP A2097 10.394 0.753 6.527 1.00 1.24 H new ATOM 649 N LYS A2098 9.211 4.002 7.915 1.00 1.89 N ATOM 650 CA LYS A2098 9.659 5.372 7.697 1.00 2.37 C ATOM 651 C LYS A2098 11.168 5.519 7.884 1.00 2.32 C ATOM 652 O LYS A2098 11.742 6.551 7.546 1.00 2.66 O ATOM 653 CB LYS A2098 8.936 6.319 8.654 1.00 3.03 C ATOM 654 CG LYS A2098 7.427 6.349 8.470 1.00 3.48 C ATOM 655 CD LYS A2098 6.766 7.260 9.491 1.00 4.03 C ATOM 656 CE LYS A2098 5.264 7.350 9.276 1.00 4.43 C ATOM 657 NZ LYS A2098 4.922 8.001 7.983 1.00 4.81 N ATOM 0 H LYS A2098 8.861 3.818 8.855 1.00 1.89 H new ATOM 0 HA LYS A2098 9.421 5.629 6.665 1.00 2.37 H new ATOM 0 HB2 LYS A2098 9.161 6.025 9.679 1.00 3.03 H new ATOM 0 HB3 LYS A2098 9.329 7.327 8.518 1.00 3.03 H new ATOM 0 HG2 LYS A2098 7.188 6.693 7.464 1.00 3.48 H new ATOM 0 HG3 LYS A2098 7.026 5.340 8.566 1.00 3.48 H new ATOM 0 HD2 LYS A2098 6.968 6.888 10.495 1.00 4.03 H new ATOM 0 HD3 LYS A2098 7.203 8.256 9.426 1.00 4.03 H new ATOM 0 HE2 LYS A2098 4.834 6.349 9.302 1.00 4.43 H new ATOM 0 HE3 LYS A2098 4.814 7.912 10.095 1.00 4.43 H new ATOM 0 HZ1 LYS A2098 3.907 8.226 7.965 1.00 4.81 H new ATOM 0 HZ2 LYS A2098 5.472 8.877 7.879 1.00 4.81 H new ATOM 0 HZ3 LYS A2098 5.147 7.356 7.199 1.00 4.81 H new ATOM 671 N GLN A2099 11.818 4.493 8.413 1.00 2.03 N ATOM 672 CA GLN A2099 13.240 4.593 8.716 1.00 2.09 C ATOM 673 C GLN A2099 14.055 3.633 7.861 1.00 1.67 C ATOM 674 O GLN A2099 15.234 3.400 8.126 1.00 1.81 O ATOM 675 CB GLN A2099 13.492 4.322 10.199 1.00 2.41 C ATOM 676 CG GLN A2099 12.775 5.293 11.125 1.00 2.99 C ATOM 677 CD GLN A2099 13.095 5.060 12.589 1.00 3.86 C ATOM 678 OE1 GLN A2099 12.258 5.297 13.462 1.00 4.40 O ATOM 679 NE2 GLN A2099 14.306 4.609 12.873 1.00 4.42 N ATOM 0 H GLN A2099 11.393 3.594 8.639 1.00 2.03 H new ATOM 0 HA GLN A2099 13.559 5.609 8.483 1.00 2.09 H new ATOM 0 HB2 GLN A2099 13.173 3.306 10.434 1.00 2.41 H new ATOM 0 HB3 GLN A2099 14.564 4.372 10.392 1.00 2.41 H new ATOM 0 HG2 GLN A2099 13.050 6.313 10.856 1.00 2.99 H new ATOM 0 HG3 GLN A2099 11.699 5.203 10.975 1.00 2.99 H new ATOM 0 HE21 GLN A2099 14.971 4.425 12.122 1.00 4.42 H new ATOM 0 HE22 GLN A2099 14.575 4.445 13.843 1.00 4.42 H new ATOM 688 N PHE A2100 13.427 3.086 6.831 1.00 1.40 N ATOM 689 CA PHE A2100 14.095 2.137 5.955 1.00 1.20 C ATOM 690 C PHE A2100 15.020 2.851 4.980 1.00 1.31 C ATOM 691 O PHE A2100 14.567 3.572 4.085 1.00 1.72 O ATOM 692 CB PHE A2100 13.072 1.298 5.185 1.00 1.32 C ATOM 693 CG PHE A2100 13.696 0.299 4.246 1.00 1.46 C ATOM 694 CD1 PHE A2100 14.574 -0.664 4.719 1.00 1.93 C ATOM 695 CD2 PHE A2100 13.398 0.320 2.893 1.00 2.04 C ATOM 696 CE1 PHE A2100 15.144 -1.585 3.861 1.00 2.23 C ATOM 697 CE2 PHE A2100 13.966 -0.598 2.031 1.00 2.36 C ATOM 698 CZ PHE A2100 14.839 -1.552 2.515 1.00 2.18 C ATOM 0 H PHE A2100 12.458 3.283 6.582 1.00 1.40 H new ATOM 0 HA PHE A2100 14.695 1.475 6.579 1.00 1.20 H new ATOM 0 HB2 PHE A2100 12.439 0.769 5.897 1.00 1.32 H new ATOM 0 HB3 PHE A2100 12.423 1.964 4.615 1.00 1.32 H new ATOM 0 HD1 PHE A2100 14.815 -0.695 5.771 1.00 1.93 H new ATOM 0 HD2 PHE A2100 12.714 1.062 2.508 1.00 2.04 H new ATOM 0 HE1 PHE A2100 15.827 -2.329 4.243 1.00 2.23 H new ATOM 0 HE2 PHE A2100 13.727 -0.569 0.978 1.00 2.36 H new ATOM 0 HZ PHE A2100 15.282 -2.271 1.842 1.00 2.18 H new ATOM 708 N VAL A2101 16.315 2.663 5.170 1.00 1.55 N ATOM 709 CA VAL A2101 17.307 3.188 4.248 1.00 1.92 C ATOM 710 C VAL A2101 17.984 2.031 3.523 1.00 2.31 C ATOM 711 O VAL A2101 18.885 1.389 4.063 1.00 2.68 O ATOM 712 CB VAL A2101 18.372 4.037 4.980 1.00 2.35 C ATOM 713 CG1 VAL A2101 19.358 4.644 3.991 1.00 2.67 C ATOM 714 CG2 VAL A2101 17.715 5.126 5.813 1.00 2.45 C ATOM 0 H VAL A2101 16.705 2.148 5.959 1.00 1.55 H new ATOM 0 HA VAL A2101 16.798 3.834 3.533 1.00 1.92 H new ATOM 0 HB VAL A2101 18.924 3.378 5.650 1.00 2.35 H new ATOM 0 HG11 VAL A2101 20.097 5.236 4.531 1.00 2.67 H new ATOM 0 HG12 VAL A2101 19.862 3.847 3.444 1.00 2.67 H new ATOM 0 HG13 VAL A2101 18.822 5.284 3.289 1.00 2.67 H new ATOM 0 HG21 VAL A2101 18.483 5.711 6.319 1.00 2.45 H new ATOM 0 HG22 VAL A2101 17.131 5.779 5.164 1.00 2.45 H new ATOM 0 HG23 VAL A2101 17.059 4.671 6.555 1.00 2.45 H new ATOM 724 N GLY A2102 17.529 1.758 2.311 1.00 2.55 N ATOM 725 CA GLY A2102 18.084 0.671 1.535 1.00 3.15 C ATOM 726 C GLY A2102 17.441 0.575 0.170 1.00 3.22 C ATOM 727 O GLY A2102 17.135 1.598 -0.443 1.00 3.84 O ATOM 0 H GLY A2102 16.780 2.274 1.849 1.00 2.55 H new ATOM 0 HA2 GLY A2102 19.158 0.816 1.422 1.00 3.15 H new ATOM 0 HA3 GLY A2102 17.943 -0.268 2.071 1.00 3.15 H new ATOM 731 N LYS A2103 17.230 -0.644 -0.307 1.00 2.91 N ATOM 732 CA LYS A2103 16.604 -0.849 -1.607 1.00 3.06 C ATOM 733 C LYS A2103 15.234 -1.519 -1.465 1.00 2.39 C ATOM 734 O LYS A2103 15.134 -2.727 -1.232 1.00 2.33 O ATOM 735 CB LYS A2103 17.515 -1.670 -2.536 1.00 3.80 C ATOM 736 CG LYS A2103 17.949 -3.017 -1.974 1.00 4.59 C ATOM 737 CD LYS A2103 18.711 -3.828 -3.010 1.00 5.33 C ATOM 738 CE LYS A2103 19.094 -5.203 -2.483 1.00 6.21 C ATOM 739 NZ LYS A2103 20.047 -5.125 -1.343 1.00 6.78 N ATOM 0 H LYS A2103 17.481 -1.502 0.183 1.00 2.91 H new ATOM 0 HA LYS A2103 16.454 0.132 -2.057 1.00 3.06 H new ATOM 0 HB2 LYS A2103 16.994 -1.836 -3.479 1.00 3.80 H new ATOM 0 HB3 LYS A2103 18.405 -1.082 -2.762 1.00 3.80 H new ATOM 0 HG2 LYS A2103 18.577 -2.862 -1.097 1.00 4.59 H new ATOM 0 HG3 LYS A2103 17.073 -3.575 -1.644 1.00 4.59 H new ATOM 0 HD2 LYS A2103 18.100 -3.940 -3.905 1.00 5.33 H new ATOM 0 HD3 LYS A2103 19.611 -3.288 -3.304 1.00 5.33 H new ATOM 0 HE2 LYS A2103 18.195 -5.732 -2.167 1.00 6.21 H new ATOM 0 HE3 LYS A2103 19.541 -5.787 -3.288 1.00 6.21 H new ATOM 0 HZ1 LYS A2103 20.383 -6.080 -1.106 1.00 6.78 H new ATOM 0 HZ2 LYS A2103 20.857 -4.528 -1.608 1.00 6.78 H new ATOM 0 HZ3 LYS A2103 19.568 -4.712 -0.518 1.00 6.78 H new ATOM 753 N PRO A2104 14.159 -0.732 -1.576 1.00 2.06 N ATOM 754 CA PRO A2104 12.794 -1.257 -1.574 1.00 1.50 C ATOM 755 C PRO A2104 12.485 -1.992 -2.874 1.00 1.35 C ATOM 756 O PRO A2104 13.002 -1.634 -3.934 1.00 1.62 O ATOM 757 CB PRO A2104 11.913 -0.004 -1.447 1.00 1.62 C ATOM 758 CG PRO A2104 12.846 1.119 -1.131 1.00 2.21 C ATOM 759 CD PRO A2104 14.177 0.728 -1.702 1.00 2.43 C ATOM 0 HA PRO A2104 12.630 -1.977 -0.772 1.00 1.50 H new ATOM 0 HB2 PRO A2104 11.370 0.188 -2.372 1.00 1.62 H new ATOM 0 HB3 PRO A2104 11.169 -0.127 -0.660 1.00 1.62 H new ATOM 0 HG2 PRO A2104 12.494 2.053 -1.568 1.00 2.21 H new ATOM 0 HG3 PRO A2104 12.915 1.277 -0.055 1.00 2.21 H new ATOM 0 HD2 PRO A2104 14.282 1.045 -2.740 1.00 2.43 H new ATOM 0 HD3 PRO A2104 15.003 1.173 -1.148 1.00 2.43 H new ATOM 767 N ASP A2105 11.660 -3.022 -2.796 1.00 1.04 N ATOM 768 CA ASP A2105 11.308 -3.791 -3.982 1.00 0.98 C ATOM 769 C ASP A2105 9.992 -3.280 -4.557 1.00 0.79 C ATOM 770 O ASP A2105 9.021 -3.082 -3.819 1.00 0.78 O ATOM 771 CB ASP A2105 11.207 -5.281 -3.649 1.00 1.06 C ATOM 772 CG ASP A2105 11.142 -6.156 -4.888 1.00 1.66 C ATOM 773 OD1 ASP A2105 10.032 -6.583 -5.268 1.00 2.16 O ATOM 774 OD2 ASP A2105 12.206 -6.436 -5.481 1.00 2.33 O ATOM 0 H ASP A2105 11.223 -3.345 -1.933 1.00 1.04 H new ATOM 0 HA ASP A2105 12.092 -3.665 -4.728 1.00 0.98 H new ATOM 0 HB2 ASP A2105 12.068 -5.574 -3.047 1.00 1.06 H new ATOM 0 HB3 ASP A2105 10.319 -5.454 -3.041 1.00 1.06 H new ATOM 779 N PRO A2106 9.954 -3.049 -5.881 1.00 0.77 N ATOM 780 CA PRO A2106 8.807 -2.437 -6.565 1.00 0.73 C ATOM 781 C PRO A2106 7.490 -3.186 -6.368 1.00 0.61 C ATOM 782 O PRO A2106 7.318 -4.314 -6.838 1.00 0.74 O ATOM 783 CB PRO A2106 9.208 -2.450 -8.046 1.00 0.87 C ATOM 784 CG PRO A2106 10.336 -3.418 -8.143 1.00 1.03 C ATOM 785 CD PRO A2106 11.040 -3.362 -6.822 1.00 0.93 C ATOM 0 HA PRO A2106 8.611 -1.443 -6.163 1.00 0.73 H new ATOM 0 HB2 PRO A2106 8.373 -2.756 -8.676 1.00 0.87 H new ATOM 0 HB3 PRO A2106 9.512 -1.458 -8.379 1.00 0.87 H new ATOM 0 HG2 PRO A2106 9.971 -4.424 -8.348 1.00 1.03 H new ATOM 0 HG3 PRO A2106 11.011 -3.151 -8.957 1.00 1.03 H new ATOM 0 HD2 PRO A2106 11.522 -4.309 -6.581 1.00 0.93 H new ATOM 0 HD3 PRO A2106 11.817 -2.597 -6.811 1.00 0.93 H new ATOM 793 N VAL A2107 6.568 -2.539 -5.670 1.00 0.48 N ATOM 794 CA VAL A2107 5.223 -3.052 -5.485 1.00 0.37 C ATOM 795 C VAL A2107 4.240 -1.889 -5.409 1.00 0.35 C ATOM 796 O VAL A2107 4.559 -0.831 -4.859 1.00 0.60 O ATOM 797 CB VAL A2107 5.102 -3.940 -4.218 1.00 0.41 C ATOM 798 CG1 VAL A2107 5.478 -3.173 -2.959 1.00 0.54 C ATOM 799 CG2 VAL A2107 3.699 -4.522 -4.093 1.00 0.46 C ATOM 0 H VAL A2107 6.734 -1.641 -5.216 1.00 0.48 H new ATOM 0 HA VAL A2107 4.986 -3.683 -6.342 1.00 0.37 H new ATOM 0 HB VAL A2107 5.808 -4.763 -4.328 1.00 0.41 H new ATOM 0 HG11 VAL A2107 5.381 -3.827 -2.092 1.00 0.54 H new ATOM 0 HG12 VAL A2107 6.508 -2.826 -3.039 1.00 0.54 H new ATOM 0 HG13 VAL A2107 4.814 -2.316 -2.843 1.00 0.54 H new ATOM 0 HG21 VAL A2107 3.640 -5.140 -3.197 1.00 0.46 H new ATOM 0 HG22 VAL A2107 2.974 -3.711 -4.023 1.00 0.46 H new ATOM 0 HG23 VAL A2107 3.478 -5.131 -4.970 1.00 0.46 H new ATOM 809 N THR A2108 3.070 -2.069 -5.996 1.00 0.32 N ATOM 810 CA THR A2108 2.050 -1.041 -5.975 1.00 0.30 C ATOM 811 C THR A2108 0.828 -1.526 -5.208 1.00 0.30 C ATOM 812 O THR A2108 0.149 -2.466 -5.621 1.00 0.33 O ATOM 813 CB THR A2108 1.648 -0.627 -7.401 1.00 0.33 C ATOM 814 OG1 THR A2108 2.829 -0.364 -8.172 1.00 0.37 O ATOM 815 CG2 THR A2108 0.762 0.614 -7.382 1.00 0.35 C ATOM 0 H THR A2108 2.805 -2.919 -6.493 1.00 0.32 H new ATOM 0 HA THR A2108 2.464 -0.167 -5.472 1.00 0.30 H new ATOM 0 HB THR A2108 1.083 -1.443 -7.852 1.00 0.33 H new ATOM 0 HG1 THR A2108 2.574 -0.102 -9.081 1.00 0.37 H new ATOM 0 HG21 THR A2108 0.493 0.884 -8.403 1.00 0.35 H new ATOM 0 HG22 THR A2108 -0.143 0.406 -6.811 1.00 0.35 H new ATOM 0 HG23 THR A2108 1.302 1.440 -6.918 1.00 0.35 H new ATOM 823 N VAL A2109 0.569 -0.895 -4.080 1.00 0.38 N ATOM 824 CA VAL A2109 -0.558 -1.260 -3.240 1.00 0.46 C ATOM 825 C VAL A2109 -1.765 -0.411 -3.629 1.00 0.52 C ATOM 826 O VAL A2109 -1.633 0.798 -3.770 1.00 0.61 O ATOM 827 CB VAL A2109 -0.219 -1.039 -1.753 1.00 0.60 C ATOM 828 CG1 VAL A2109 -1.185 -1.794 -0.864 1.00 0.76 C ATOM 829 CG2 VAL A2109 1.218 -1.451 -1.459 1.00 0.61 C ATOM 0 H VAL A2109 1.128 -0.121 -3.721 1.00 0.38 H new ATOM 0 HA VAL A2109 -0.786 -2.316 -3.386 1.00 0.46 H new ATOM 0 HB VAL A2109 -0.319 0.025 -1.537 1.00 0.60 H new ATOM 0 HG11 VAL A2109 -0.927 -1.624 0.181 1.00 0.76 H new ATOM 0 HG12 VAL A2109 -2.200 -1.443 -1.049 1.00 0.76 H new ATOM 0 HG13 VAL A2109 -1.124 -2.860 -1.084 1.00 0.76 H new ATOM 0 HG21 VAL A2109 1.435 -1.286 -0.404 1.00 0.61 H new ATOM 0 HG22 VAL A2109 1.350 -2.507 -1.696 1.00 0.61 H new ATOM 0 HG23 VAL A2109 1.899 -0.855 -2.067 1.00 0.61 H new ATOM 839 N LYS A2110 -2.928 -1.032 -3.815 1.00 0.53 N ATOM 840 CA LYS A2110 -4.072 -0.323 -4.383 1.00 0.63 C ATOM 841 C LYS A2110 -5.356 -0.587 -3.584 1.00 0.70 C ATOM 842 O LYS A2110 -5.543 -1.660 -3.015 1.00 0.99 O ATOM 843 CB LYS A2110 -4.231 -0.747 -5.864 1.00 0.67 C ATOM 844 CG LYS A2110 -5.325 -0.015 -6.645 1.00 0.85 C ATOM 845 CD LYS A2110 -6.713 -0.609 -6.421 1.00 1.03 C ATOM 846 CE LYS A2110 -6.846 -2.012 -7.000 1.00 1.11 C ATOM 847 NZ LYS A2110 -6.816 -2.010 -8.486 1.00 1.63 N ATOM 0 H LYS A2110 -3.102 -2.010 -3.585 1.00 0.53 H new ATOM 0 HA LYS A2110 -3.892 0.751 -4.329 1.00 0.63 H new ATOM 0 HB2 LYS A2110 -3.280 -0.591 -6.373 1.00 0.67 H new ATOM 0 HB3 LYS A2110 -4.439 -1.816 -5.897 1.00 0.67 H new ATOM 0 HG2 LYS A2110 -5.333 1.035 -6.352 1.00 0.85 H new ATOM 0 HG3 LYS A2110 -5.089 -0.047 -7.709 1.00 0.85 H new ATOM 0 HD2 LYS A2110 -6.924 -0.639 -5.352 1.00 1.03 H new ATOM 0 HD3 LYS A2110 -7.461 0.041 -6.876 1.00 1.03 H new ATOM 0 HE2 LYS A2110 -6.037 -2.637 -6.623 1.00 1.11 H new ATOM 0 HE3 LYS A2110 -7.780 -2.458 -6.658 1.00 1.11 H new ATOM 0 HZ1 LYS A2110 -7.061 -2.957 -8.839 1.00 1.63 H new ATOM 0 HZ2 LYS A2110 -7.503 -1.318 -8.846 1.00 1.63 H new ATOM 0 HZ3 LYS A2110 -5.863 -1.754 -8.814 1.00 1.63 H new ATOM 861 N ARG A2111 -6.210 0.429 -3.513 1.00 0.52 N ATOM 862 CA ARG A2111 -7.569 0.296 -2.989 1.00 0.54 C ATOM 863 C ARG A2111 -8.371 1.523 -3.405 1.00 0.44 C ATOM 864 O ARG A2111 -7.856 2.638 -3.363 1.00 0.47 O ATOM 865 CB ARG A2111 -7.567 0.147 -1.461 1.00 0.62 C ATOM 866 CG ARG A2111 -6.908 1.305 -0.743 1.00 0.62 C ATOM 867 CD ARG A2111 -6.924 1.135 0.766 1.00 0.87 C ATOM 868 NE ARG A2111 -6.183 2.205 1.437 1.00 1.86 N ATOM 869 CZ ARG A2111 -6.304 2.510 2.728 1.00 2.47 C ATOM 870 NH1 ARG A2111 -7.184 1.870 3.488 1.00 2.41 N ATOM 871 NH2 ARG A2111 -5.556 3.471 3.253 1.00 3.47 N ATOM 0 H ARG A2111 -5.979 1.374 -3.819 1.00 0.52 H new ATOM 0 HA ARG A2111 -8.025 -0.605 -3.399 1.00 0.54 H new ATOM 0 HB2 ARG A2111 -8.595 0.051 -1.112 1.00 0.62 H new ATOM 0 HB3 ARG A2111 -7.052 -0.776 -1.194 1.00 0.62 H new ATOM 0 HG2 ARG A2111 -5.877 1.401 -1.084 1.00 0.62 H new ATOM 0 HG3 ARG A2111 -7.419 2.231 -1.007 1.00 0.62 H new ATOM 0 HD2 ARG A2111 -7.955 1.127 1.121 1.00 0.87 H new ATOM 0 HD3 ARG A2111 -6.489 0.171 1.029 1.00 0.87 H new ATOM 0 HE ARG A2111 -5.530 2.754 0.878 1.00 1.86 H new ATOM 0 HH11 ARG A2111 -7.772 1.141 3.084 1.00 2.41 H new ATOM 0 HH12 ARG A2111 -7.273 2.107 4.476 1.00 2.41 H new ATOM 0 HH21 ARG A2111 -4.889 3.975 2.668 1.00 3.47 H new ATOM 0 HH22 ARG A2111 -5.647 3.706 4.241 1.00 3.47 H new ATOM 885 N VAL A2112 -9.614 1.333 -3.826 1.00 0.35 N ATOM 886 CA VAL A2112 -10.408 2.462 -4.309 1.00 0.28 C ATOM 887 C VAL A2112 -11.352 2.982 -3.233 1.00 0.25 C ATOM 888 O VAL A2112 -11.799 2.238 -2.363 1.00 0.29 O ATOM 889 CB VAL A2112 -11.210 2.113 -5.583 1.00 0.31 C ATOM 890 CG1 VAL A2112 -10.269 1.766 -6.725 1.00 0.40 C ATOM 891 CG2 VAL A2112 -12.191 0.979 -5.331 1.00 0.32 C ATOM 0 H VAL A2112 -10.089 0.431 -3.845 1.00 0.35 H new ATOM 0 HA VAL A2112 -9.696 3.247 -4.563 1.00 0.28 H new ATOM 0 HB VAL A2112 -11.789 2.993 -5.864 1.00 0.31 H new ATOM 0 HG11 VAL A2112 -10.850 1.523 -7.614 1.00 0.40 H new ATOM 0 HG12 VAL A2112 -9.623 2.618 -6.936 1.00 0.40 H new ATOM 0 HG13 VAL A2112 -9.658 0.908 -6.445 1.00 0.40 H new ATOM 0 HG21 VAL A2112 -12.738 0.760 -6.248 1.00 0.32 H new ATOM 0 HG22 VAL A2112 -11.646 0.090 -5.013 1.00 0.32 H new ATOM 0 HG23 VAL A2112 -12.894 1.272 -4.551 1.00 0.32 H new ATOM 901 N ASP A2113 -11.616 4.280 -3.287 1.00 0.26 N ATOM 902 CA ASP A2113 -12.482 4.941 -2.319 1.00 0.31 C ATOM 903 C ASP A2113 -13.943 4.906 -2.765 1.00 0.33 C ATOM 904 O ASP A2113 -14.294 4.192 -3.708 1.00 0.34 O ATOM 905 CB ASP A2113 -12.030 6.390 -2.088 1.00 0.40 C ATOM 906 CG ASP A2113 -11.989 7.214 -3.362 1.00 0.55 C ATOM 907 OD1 ASP A2113 -11.023 7.977 -3.554 1.00 0.85 O ATOM 908 OD2 ASP A2113 -12.914 7.095 -4.181 1.00 1.46 O ATOM 0 H ASP A2113 -11.238 4.903 -4.000 1.00 0.26 H new ATOM 0 HA ASP A2113 -12.403 4.396 -1.379 1.00 0.31 H new ATOM 0 HB2 ASP A2113 -12.706 6.866 -1.377 1.00 0.40 H new ATOM 0 HB3 ASP A2113 -11.039 6.387 -1.633 1.00 0.40 H new ATOM 913 N LYS A2114 -14.793 5.674 -2.091 1.00 0.40 N ATOM 914 CA LYS A2114 -16.222 5.674 -2.389 1.00 0.46 C ATOM 915 C LYS A2114 -16.530 6.209 -3.791 1.00 0.52 C ATOM 916 O LYS A2114 -17.461 5.729 -4.438 1.00 0.65 O ATOM 917 CB LYS A2114 -17.002 6.456 -1.331 1.00 0.55 C ATOM 918 CG LYS A2114 -17.131 5.707 -0.013 1.00 0.58 C ATOM 919 CD LYS A2114 -18.048 6.423 0.963 1.00 0.69 C ATOM 920 CE LYS A2114 -18.275 5.597 2.221 1.00 0.83 C ATOM 921 NZ LYS A2114 -19.032 4.342 1.950 1.00 1.72 N ATOM 0 H LYS A2114 -14.519 6.303 -1.336 1.00 0.40 H new ATOM 0 HA LYS A2114 -16.546 4.634 -2.366 1.00 0.46 H new ATOM 0 HB2 LYS A2114 -16.506 7.410 -1.153 1.00 0.55 H new ATOM 0 HB3 LYS A2114 -17.998 6.681 -1.714 1.00 0.55 H new ATOM 0 HG2 LYS A2114 -17.515 4.705 -0.202 1.00 0.58 H new ATOM 0 HG3 LYS A2114 -16.144 5.591 0.436 1.00 0.58 H new ATOM 0 HD2 LYS A2114 -17.614 7.386 1.232 1.00 0.69 H new ATOM 0 HD3 LYS A2114 -19.005 6.627 0.483 1.00 0.69 H new ATOM 0 HE2 LYS A2114 -17.312 5.348 2.667 1.00 0.83 H new ATOM 0 HE3 LYS A2114 -18.819 6.195 2.952 1.00 0.83 H new ATOM 0 HZ1 LYS A2114 -19.264 3.875 2.850 1.00 1.72 H new ATOM 0 HZ2 LYS A2114 -19.910 4.569 1.442 1.00 1.72 H new ATOM 0 HZ3 LYS A2114 -18.451 3.705 1.369 1.00 1.72 H new ATOM 935 N ASN A2115 -15.763 7.181 -4.281 1.00 0.52 N ATOM 936 CA ASN A2115 -15.996 7.673 -5.640 1.00 0.60 C ATOM 937 C ASN A2115 -15.277 6.794 -6.657 1.00 0.54 C ATOM 938 O ASN A2115 -15.647 6.755 -7.833 1.00 0.70 O ATOM 939 CB ASN A2115 -15.586 9.142 -5.822 1.00 0.72 C ATOM 940 CG ASN A2115 -14.120 9.407 -5.572 1.00 0.99 C ATOM 941 OD1 ASN A2115 -13.285 9.225 -6.456 1.00 1.84 O ATOM 942 ND2 ASN A2115 -13.804 9.880 -4.380 1.00 1.11 N ATOM 0 H ASN A2115 -14.999 7.632 -3.778 1.00 0.52 H new ATOM 0 HA ASN A2115 -17.071 7.621 -5.811 1.00 0.60 H new ATOM 0 HB2 ASN A2115 -15.833 9.454 -6.837 1.00 0.72 H new ATOM 0 HB3 ASN A2115 -16.177 9.760 -5.146 1.00 0.72 H new ATOM 0 HD21 ASN A2115 -12.834 10.110 -4.163 1.00 1.11 H new ATOM 0 HD22 ASN A2115 -14.530 10.015 -3.676 1.00 1.11 H new ATOM 949 N GLY A2116 -14.248 6.098 -6.202 1.00 0.38 N ATOM 950 CA GLY A2116 -13.576 5.133 -7.044 1.00 0.39 C ATOM 951 C GLY A2116 -12.132 5.493 -7.318 1.00 0.38 C ATOM 952 O GLY A2116 -11.497 4.891 -8.189 1.00 0.44 O ATOM 0 H GLY A2116 -13.865 6.185 -5.261 1.00 0.38 H new ATOM 0 HA2 GLY A2116 -13.617 4.153 -6.568 1.00 0.39 H new ATOM 0 HA3 GLY A2116 -14.110 5.050 -7.991 1.00 0.39 H new ATOM 956 N THR A2117 -11.598 6.465 -6.585 1.00 0.36 N ATOM 957 CA THR A2117 -10.202 6.836 -6.751 1.00 0.38 C ATOM 958 C THR A2117 -9.311 5.898 -5.936 1.00 0.33 C ATOM 959 O THR A2117 -9.531 5.706 -4.740 1.00 0.33 O ATOM 960 CB THR A2117 -9.950 8.299 -6.337 1.00 0.44 C ATOM 961 OG1 THR A2117 -10.778 9.173 -7.119 1.00 0.57 O ATOM 962 CG2 THR A2117 -8.489 8.683 -6.530 1.00 0.54 C ATOM 0 H THR A2117 -12.104 7.002 -5.881 1.00 0.36 H new ATOM 0 HA THR A2117 -9.955 6.743 -7.809 1.00 0.38 H new ATOM 0 HB THR A2117 -10.196 8.398 -5.280 1.00 0.44 H new ATOM 0 HG1 THR A2117 -11.651 9.272 -6.685 1.00 0.57 H new ATOM 0 HG21 THR A2117 -8.343 9.720 -6.229 1.00 0.54 H new ATOM 0 HG22 THR A2117 -7.859 8.036 -5.919 1.00 0.54 H new ATOM 0 HG23 THR A2117 -8.218 8.568 -7.579 1.00 0.54 H new ATOM 970 N PRO A2118 -8.318 5.262 -6.577 1.00 0.38 N ATOM 971 CA PRO A2118 -7.426 4.331 -5.905 1.00 0.40 C ATOM 972 C PRO A2118 -6.301 5.026 -5.148 1.00 0.35 C ATOM 973 O PRO A2118 -5.412 5.630 -5.750 1.00 0.39 O ATOM 974 CB PRO A2118 -6.843 3.482 -7.047 1.00 0.53 C ATOM 975 CG PRO A2118 -7.412 4.027 -8.319 1.00 0.61 C ATOM 976 CD PRO A2118 -7.989 5.377 -7.999 1.00 0.51 C ATOM 0 HA PRO A2118 -7.962 3.752 -5.152 1.00 0.40 H new ATOM 0 HB2 PRO A2118 -5.754 3.538 -7.054 1.00 0.53 H new ATOM 0 HB3 PRO A2118 -7.107 2.432 -6.923 1.00 0.53 H new ATOM 0 HG2 PRO A2118 -6.639 4.109 -9.083 1.00 0.61 H new ATOM 0 HG3 PRO A2118 -8.181 3.363 -8.713 1.00 0.61 H new ATOM 0 HD2 PRO A2118 -7.272 6.177 -8.185 1.00 0.51 H new ATOM 0 HD3 PRO A2118 -8.871 5.593 -8.602 1.00 0.51 H new ATOM 984 N VAL A2119 -6.351 4.950 -3.826 1.00 0.33 N ATOM 985 CA VAL A2119 -5.210 5.329 -3.010 1.00 0.33 C ATOM 986 C VAL A2119 -4.179 4.222 -3.088 1.00 0.36 C ATOM 987 O VAL A2119 -4.489 3.045 -2.876 1.00 0.39 O ATOM 988 CB VAL A2119 -5.586 5.616 -1.541 1.00 0.39 C ATOM 989 CG1 VAL A2119 -6.347 6.921 -1.427 1.00 0.52 C ATOM 990 CG2 VAL A2119 -6.402 4.486 -0.953 1.00 0.60 C ATOM 0 H VAL A2119 -7.164 4.631 -3.300 1.00 0.33 H new ATOM 0 HA VAL A2119 -4.807 6.262 -3.403 1.00 0.33 H new ATOM 0 HB VAL A2119 -4.659 5.699 -0.974 1.00 0.39 H new ATOM 0 HG11 VAL A2119 -6.602 7.103 -0.383 1.00 0.52 H new ATOM 0 HG12 VAL A2119 -5.727 7.737 -1.797 1.00 0.52 H new ATOM 0 HG13 VAL A2119 -7.261 6.862 -2.019 1.00 0.52 H new ATOM 0 HG21 VAL A2119 -6.651 4.718 0.082 1.00 0.60 H new ATOM 0 HG22 VAL A2119 -7.320 4.362 -1.528 1.00 0.60 H new ATOM 0 HG23 VAL A2119 -5.824 3.563 -0.989 1.00 0.60 H new ATOM 1000 N THR A2120 -2.968 4.595 -3.432 1.00 0.39 N ATOM 1001 CA THR A2120 -1.947 3.624 -3.735 1.00 0.44 C ATOM 1002 C THR A2120 -0.662 3.925 -2.991 1.00 0.53 C ATOM 1003 O THR A2120 -0.489 5.005 -2.433 1.00 0.67 O ATOM 1004 CB THR A2120 -1.649 3.585 -5.251 1.00 0.52 C ATOM 1005 OG1 THR A2120 -1.341 4.903 -5.730 1.00 0.61 O ATOM 1006 CG2 THR A2120 -2.829 3.025 -6.032 1.00 0.55 C ATOM 0 H THR A2120 -2.667 5.567 -3.509 1.00 0.39 H new ATOM 0 HA THR A2120 -2.328 2.654 -3.415 1.00 0.44 H new ATOM 0 HB THR A2120 -0.791 2.930 -5.404 1.00 0.52 H new ATOM 0 HG1 THR A2120 -1.152 4.866 -6.691 1.00 0.61 H new ATOM 0 HG21 THR A2120 -2.588 3.011 -7.095 1.00 0.55 H new ATOM 0 HG22 THR A2120 -3.040 2.010 -5.694 1.00 0.55 H new ATOM 0 HG23 THR A2120 -3.705 3.652 -5.867 1.00 0.55 H new ATOM 1014 N ALA A2121 0.226 2.956 -2.982 1.00 0.53 N ATOM 1015 CA ALA A2121 1.575 3.166 -2.518 1.00 0.65 C ATOM 1016 C ALA A2121 2.514 2.675 -3.598 1.00 0.73 C ATOM 1017 O ALA A2121 2.395 1.538 -4.058 1.00 0.69 O ATOM 1018 CB ALA A2121 1.818 2.434 -1.206 1.00 0.70 C ATOM 0 H ALA A2121 0.033 2.005 -3.295 1.00 0.53 H new ATOM 0 HA ALA A2121 1.748 4.225 -2.325 1.00 0.65 H new ATOM 0 HB1 ALA A2121 2.842 2.608 -0.877 1.00 0.70 H new ATOM 0 HB2 ALA A2121 1.126 2.804 -0.449 1.00 0.70 H new ATOM 0 HB3 ALA A2121 1.660 1.365 -1.351 1.00 0.70 H new ATOM 1024 N THR A2122 3.431 3.528 -4.007 1.00 0.98 N ATOM 1025 CA THR A2122 4.274 3.231 -5.144 1.00 1.15 C ATOM 1026 C THR A2122 5.702 2.980 -4.698 1.00 0.99 C ATOM 1027 O THR A2122 6.457 3.916 -4.439 1.00 1.22 O ATOM 1028 CB THR A2122 4.248 4.389 -6.158 1.00 1.63 C ATOM 1029 OG1 THR A2122 2.906 4.890 -6.287 1.00 2.19 O ATOM 1030 CG2 THR A2122 4.757 3.932 -7.519 1.00 2.08 C ATOM 0 H THR A2122 3.610 4.431 -3.569 1.00 0.98 H new ATOM 0 HA THR A2122 3.886 2.332 -5.623 1.00 1.15 H new ATOM 0 HB THR A2122 4.902 5.181 -5.793 1.00 1.63 H new ATOM 0 HG1 THR A2122 2.683 5.433 -5.502 1.00 2.19 H new ATOM 0 HG21 THR A2122 4.729 4.768 -8.218 1.00 2.08 H new ATOM 0 HG22 THR A2122 5.782 3.574 -7.423 1.00 2.08 H new ATOM 0 HG23 THR A2122 4.125 3.126 -7.892 1.00 2.08 H new ATOM 1038 N TYR A2123 6.065 1.714 -4.590 1.00 0.85 N ATOM 1039 CA TYR A2123 7.403 1.357 -4.174 1.00 0.77 C ATOM 1040 C TYR A2123 8.241 0.877 -5.343 1.00 0.94 C ATOM 1041 O TYR A2123 7.722 0.338 -6.324 1.00 1.20 O ATOM 1042 CB TYR A2123 7.367 0.315 -3.060 1.00 0.83 C ATOM 1043 CG TYR A2123 7.441 0.946 -1.693 1.00 1.21 C ATOM 1044 CD1 TYR A2123 6.294 1.341 -1.019 1.00 1.93 C ATOM 1045 CD2 TYR A2123 8.668 1.163 -1.085 1.00 1.82 C ATOM 1046 CE1 TYR A2123 6.372 1.936 0.225 1.00 2.36 C ATOM 1047 CE2 TYR A2123 8.756 1.753 0.158 1.00 2.26 C ATOM 1048 CZ TYR A2123 7.606 2.137 0.808 1.00 2.25 C ATOM 1049 OH TYR A2123 7.690 2.726 2.045 1.00 2.81 O ATOM 0 H TYR A2123 5.453 0.922 -4.784 1.00 0.85 H new ATOM 0 HA TYR A2123 7.877 2.257 -3.781 1.00 0.77 H new ATOM 0 HB2 TYR A2123 6.451 -0.270 -3.140 1.00 0.83 H new ATOM 0 HB3 TYR A2123 8.199 -0.378 -3.185 1.00 0.83 H new ATOM 0 HD1 TYR A2123 5.327 1.181 -1.473 1.00 1.93 H new ATOM 0 HD2 TYR A2123 9.572 0.864 -1.595 1.00 1.82 H new ATOM 0 HE1 TYR A2123 5.472 2.242 0.738 1.00 2.36 H new ATOM 0 HE2 TYR A2123 9.720 1.912 0.618 1.00 2.26 H new ATOM 0 HH TYR A2123 7.173 3.559 2.047 1.00 2.81 H new ATOM 1059 N SER A2124 9.538 1.087 -5.217 1.00 1.07 N ATOM 1060 CA SER A2124 10.492 0.824 -6.276 1.00 1.29 C ATOM 1061 C SER A2124 11.897 0.909 -5.688 1.00 1.24 C ATOM 1062 O SER A2124 12.043 1.313 -4.533 1.00 1.31 O ATOM 1063 CB SER A2124 10.297 1.866 -7.382 1.00 1.66 C ATOM 1064 OG SER A2124 10.153 3.162 -6.826 1.00 2.06 O ATOM 0 H SER A2124 9.963 1.450 -4.364 1.00 1.07 H new ATOM 0 HA SER A2124 10.345 -0.168 -6.702 1.00 1.29 H new ATOM 0 HB2 SER A2124 11.150 1.848 -8.061 1.00 1.66 H new ATOM 0 HB3 SER A2124 9.415 1.617 -7.972 1.00 1.66 H new ATOM 0 HG SER A2124 10.339 3.835 -7.513 1.00 2.06 H new ATOM 1070 N PRO A2125 12.945 0.519 -6.446 1.00 1.46 N ATOM 1071 CA PRO A2125 14.341 0.623 -5.988 1.00 1.71 C ATOM 1072 C PRO A2125 14.821 2.075 -5.922 1.00 1.73 C ATOM 1073 O PRO A2125 15.853 2.436 -6.496 1.00 2.16 O ATOM 1074 CB PRO A2125 15.135 -0.164 -7.043 1.00 2.09 C ATOM 1075 CG PRO A2125 14.117 -0.909 -7.839 1.00 2.09 C ATOM 1076 CD PRO A2125 12.870 -0.081 -7.785 1.00 1.75 C ATOM 0 HA PRO A2125 14.466 0.235 -4.977 1.00 1.71 H new ATOM 0 HB2 PRO A2125 15.715 0.506 -7.678 1.00 2.09 H new ATOM 0 HB3 PRO A2125 15.841 -0.848 -6.572 1.00 2.09 H new ATOM 0 HG2 PRO A2125 14.450 -1.048 -8.868 1.00 2.09 H new ATOM 0 HG3 PRO A2125 13.945 -1.902 -7.423 1.00 2.09 H new ATOM 0 HD2 PRO A2125 12.851 0.676 -8.569 1.00 1.75 H new ATOM 0 HD3 PRO A2125 11.974 -0.689 -7.908 1.00 1.75 H new ATOM 1084 N GLU A2126 14.055 2.892 -5.220 1.00 1.86 N ATOM 1085 CA GLU A2126 14.359 4.297 -5.029 1.00 2.08 C ATOM 1086 C GLU A2126 14.396 4.592 -3.535 1.00 1.98 C ATOM 1087 O GLU A2126 14.807 3.738 -2.749 1.00 2.37 O ATOM 1088 CB GLU A2126 13.289 5.162 -5.699 1.00 2.47 C ATOM 1089 CG GLU A2126 13.150 4.945 -7.195 1.00 3.11 C ATOM 1090 CD GLU A2126 12.050 5.796 -7.790 1.00 3.80 C ATOM 1091 OE1 GLU A2126 10.983 5.248 -8.123 1.00 4.26 O ATOM 1092 OE2 GLU A2126 12.241 7.024 -7.908 1.00 4.33 O ATOM 0 H GLU A2126 13.194 2.593 -4.762 1.00 1.86 H new ATOM 0 HA GLU A2126 15.325 4.526 -5.478 1.00 2.08 H new ATOM 0 HB2 GLU A2126 12.328 4.961 -5.225 1.00 2.47 H new ATOM 0 HB3 GLU A2126 13.522 6.211 -5.517 1.00 2.47 H new ATOM 0 HG2 GLU A2126 14.095 5.179 -7.685 1.00 3.11 H new ATOM 0 HG3 GLU A2126 12.941 3.893 -7.391 1.00 3.11 H new ATOM 1099 N PHE A2127 13.968 5.796 -3.158 1.00 2.04 N ATOM 1100 CA PHE A2127 13.840 6.187 -1.756 1.00 2.23 C ATOM 1101 C PHE A2127 15.176 6.099 -1.029 1.00 2.57 C ATOM 1102 O PHE A2127 15.471 5.100 -0.366 1.00 3.09 O ATOM 1103 CB PHE A2127 12.793 5.318 -1.044 1.00 2.24 C ATOM 1104 CG PHE A2127 11.414 5.416 -1.640 1.00 2.48 C ATOM 1105 CD1 PHE A2127 10.984 4.495 -2.583 1.00 2.99 C ATOM 1106 CD2 PHE A2127 10.551 6.431 -1.259 1.00 2.99 C ATOM 1107 CE1 PHE A2127 9.720 4.584 -3.133 1.00 3.64 C ATOM 1108 CE2 PHE A2127 9.285 6.524 -1.806 1.00 3.62 C ATOM 1109 CZ PHE A2127 8.870 5.600 -2.745 1.00 3.83 C ATOM 0 H PHE A2127 13.700 6.528 -3.816 1.00 2.04 H new ATOM 0 HA PHE A2127 13.510 7.226 -1.734 1.00 2.23 H new ATOM 0 HB2 PHE A2127 13.118 4.278 -1.073 1.00 2.24 H new ATOM 0 HB3 PHE A2127 12.746 5.609 0.006 1.00 2.24 H new ATOM 0 HD1 PHE A2127 11.645 3.699 -2.891 1.00 2.99 H new ATOM 0 HD2 PHE A2127 10.871 7.157 -0.527 1.00 2.99 H new ATOM 0 HE1 PHE A2127 9.397 3.859 -3.866 1.00 3.64 H new ATOM 0 HE2 PHE A2127 8.621 7.319 -1.499 1.00 3.62 H new ATOM 0 HZ PHE A2127 7.882 5.672 -3.175 1.00 3.83 H new ATOM 1119 N THR A2128 15.980 7.147 -1.160 1.00 2.82 N ATOM 1120 CA THR A2128 17.263 7.216 -0.476 1.00 3.38 C ATOM 1121 C THR A2128 17.066 7.053 1.025 1.00 2.89 C ATOM 1122 O THR A2128 17.671 6.183 1.656 1.00 3.03 O ATOM 1123 CB THR A2128 17.971 8.553 -0.772 1.00 4.34 C ATOM 1124 OG1 THR A2128 17.044 9.640 -0.625 1.00 4.91 O ATOM 1125 CG2 THR A2128 18.551 8.560 -2.178 1.00 5.11 C ATOM 0 H THR A2128 15.765 7.962 -1.735 1.00 2.82 H new ATOM 0 HA THR A2128 17.891 6.405 -0.845 1.00 3.38 H new ATOM 0 HB THR A2128 18.788 8.672 -0.060 1.00 4.34 H new ATOM 0 HG1 THR A2128 17.500 10.487 -0.813 1.00 4.91 H new ATOM 0 HG21 THR A2128 19.045 9.514 -2.363 1.00 5.11 H new ATOM 0 HG22 THR A2128 19.275 7.751 -2.277 1.00 5.11 H new ATOM 0 HG23 THR A2128 17.749 8.420 -2.903 1.00 5.11 H new ATOM 1133 N LYS A2129 16.196 7.888 1.576 1.00 2.90 N ATOM 1134 CA LYS A2129 15.801 7.808 2.973 1.00 2.79 C ATOM 1135 C LYS A2129 14.633 8.752 3.218 1.00 3.43 C ATOM 1136 O LYS A2129 14.477 9.749 2.510 1.00 3.99 O ATOM 1137 CB LYS A2129 16.974 8.151 3.898 1.00 3.05 C ATOM 1138 CG LYS A2129 17.602 9.506 3.623 1.00 3.76 C ATOM 1139 CD LYS A2129 18.822 9.747 4.496 1.00 4.33 C ATOM 1140 CE LYS A2129 18.463 9.780 5.972 1.00 4.72 C ATOM 1141 NZ LYS A2129 19.662 9.955 6.826 1.00 5.22 N ATOM 0 H LYS A2129 15.743 8.644 1.062 1.00 2.90 H new ATOM 0 HA LYS A2129 15.495 6.786 3.196 1.00 2.79 H new ATOM 0 HB2 LYS A2129 16.628 8.125 4.931 1.00 3.05 H new ATOM 0 HB3 LYS A2129 17.739 7.381 3.799 1.00 3.05 H new ATOM 0 HG2 LYS A2129 17.888 9.568 2.573 1.00 3.76 H new ATOM 0 HG3 LYS A2129 16.867 10.291 3.800 1.00 3.76 H new ATOM 0 HD2 LYS A2129 19.557 8.962 4.318 1.00 4.33 H new ATOM 0 HD3 LYS A2129 19.289 10.691 4.215 1.00 4.33 H new ATOM 0 HE2 LYS A2129 17.762 10.594 6.158 1.00 4.72 H new ATOM 0 HE3 LYS A2129 17.955 8.854 6.243 1.00 4.72 H new ATOM 0 HZ1 LYS A2129 19.376 9.973 7.826 1.00 5.22 H new ATOM 0 HZ2 LYS A2129 20.319 9.165 6.668 1.00 5.22 H new ATOM 0 HZ3 LYS A2129 20.133 10.850 6.585 1.00 5.22 H new ATOM 1155 N VAL A2130 13.810 8.431 4.201 1.00 3.76 N ATOM 1156 CA VAL A2130 12.645 9.245 4.511 1.00 4.65 C ATOM 1157 C VAL A2130 13.013 10.328 5.514 1.00 5.15 C ATOM 1158 O VAL A2130 13.097 11.505 5.114 1.00 5.63 O ATOM 1159 CB VAL A2130 11.488 8.394 5.074 1.00 5.31 C ATOM 1160 CG1 VAL A2130 10.251 9.247 5.308 1.00 5.79 C ATOM 1161 CG2 VAL A2130 11.174 7.237 4.141 1.00 5.88 C ATOM 1162 OXT VAL A2130 13.249 9.994 6.694 1.00 5.44 O ATOM 0 H VAL A2130 13.926 7.613 4.799 1.00 3.76 H new ATOM 0 HA VAL A2130 12.309 9.703 3.581 1.00 4.65 H new ATOM 0 HB VAL A2130 11.802 7.986 6.034 1.00 5.31 H new ATOM 0 HG11 VAL A2130 9.449 8.624 5.705 1.00 5.79 H new ATOM 0 HG12 VAL A2130 10.484 10.037 6.022 1.00 5.79 H new ATOM 0 HG13 VAL A2130 9.932 9.692 4.365 1.00 5.79 H new ATOM 0 HG21 VAL A2130 10.355 6.648 4.555 1.00 5.88 H new ATOM 0 HG22 VAL A2130 10.884 7.625 3.165 1.00 5.88 H new ATOM 0 HG23 VAL A2130 12.057 6.606 4.033 1.00 5.88 H new TER 1172 VAL A2130