USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=24 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: A2068 THR OG1 : rot 180:sc= -0.0403 USER MOD Set 1.2: A2110 LYS NZ :NH3+ 149:sc= 0.696 (180deg=-1.25!) USER MOD Set 2.1: A2093 THR OG1 : rot -92:sc= 0.537 USER MOD Set 2.2: A2095 THR OG1 : rot 180:sc= 0.479 USER MOD Set 3.1: A2081 GLN : amide:sc= -1.43 K(o=-1.4,f=-0.51) USER MOD Set 3.2: A2084 TYR OH : rot 30:sc= 0 USER MOD Set 4.1: A2077 THR OG1 : rot 180:sc= 1.02 USER MOD Set 4.2: A2083 THR OG1 : rot -116:sc= 0.914 USER MOD Single : A2053 GLN : amide:sc= -0.776 K(o=-0.78,f=-2.1) USER MOD Single : A2064 THR OG1 : rot 22:sc= 1.13 USER MOD Single : A2073 SER OG : rot 180:sc= -0.937 USER MOD Single : A2074 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.033) USER MOD Single : A2076 LYS NZ :NH3+ 152:sc= -0.104 (180deg=-0.536) 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+ 164:sc= -0.0361 (180deg=-0.289) USER MOD Single : A2099 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A2103 LYS NZ :NH3+ 141:sc= -0.0155 (180deg=-0.199) USER MOD Single : A2108 THR OG1 : rot 180:sc= 0 USER MOD Single : A2114 LYS NZ :NH3+ -169:sc= 1.11 (180deg=0.839) USER MOD Single : A2115 ASN : amide:sc= -0.613! X(o=-0.61!,f=-0.18) USER MOD Single : A2117 THR OG1 : rot 180:sc= 0 USER MOD Single : A2120 THR OG1 : rot 180:sc= 0 USER MOD Single : A2122 THR OG1 : rot 180:sc= 0 USER MOD Single : A2123 TYR OH : rot 30:sc= -0.0697 USER MOD Single : A2124 SER OG : rot 180:sc= -2.97! USER MOD Single : A2128 THR OG1 : rot 180:sc= 0.0313 USER MOD Single : A2129 LYS NZ :NH3+ 138:sc=0.000434 (180deg=-2.58!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A2053 -2.061 6.951 5.911 1.00 4.90 N ATOM 2 CA GLN A2053 -1.597 5.544 5.929 1.00 4.58 C ATOM 3 C GLN A2053 -2.500 4.672 5.062 1.00 3.90 C ATOM 4 O GLN A2053 -2.664 3.479 5.322 1.00 4.20 O ATOM 5 CB GLN A2053 -1.564 4.999 7.362 1.00 5.04 C ATOM 6 CG GLN A2053 -0.403 5.513 8.208 1.00 5.47 C ATOM 7 CD GLN A2053 -0.457 7.009 8.466 1.00 6.21 C ATOM 8 OE1 GLN A2053 -1.531 7.606 8.517 1.00 6.51 O ATOM 9 NE2 GLN A2053 0.701 7.625 8.628 1.00 6.85 N ATOM 0 HA GLN A2053 -0.585 5.518 5.524 1.00 4.58 H new ATOM 0 HB2 GLN A2053 -2.500 5.257 7.857 1.00 5.04 H new ATOM 0 HB3 GLN A2053 -1.514 3.911 7.322 1.00 5.04 H new ATOM 0 HG2 GLN A2053 -0.399 4.988 9.163 1.00 5.47 H new ATOM 0 HG3 GLN A2053 0.535 5.272 7.708 1.00 5.47 H new ATOM 0 HE21 GLN A2053 1.572 7.096 8.579 1.00 6.85 H new ATOM 0 HE22 GLN A2053 0.724 8.630 8.802 1.00 6.85 H new ATOM 18 N GLY A2054 -3.082 5.270 4.031 1.00 3.41 N ATOM 19 CA GLY A2054 -3.961 4.535 3.151 1.00 3.09 C ATOM 20 C GLY A2054 -5.416 4.729 3.506 1.00 2.21 C ATOM 21 O GLY A2054 -6.022 3.877 4.153 1.00 2.29 O ATOM 0 H GLY A2054 -2.959 6.254 3.790 1.00 3.41 H new ATOM 0 HA2 GLY A2054 -3.794 4.855 2.123 1.00 3.09 H new ATOM 0 HA3 GLY A2054 -3.716 3.474 3.198 1.00 3.09 H new ATOM 25 N GLY A2055 -5.975 5.853 3.092 1.00 1.77 N ATOM 26 CA GLY A2055 -7.366 6.133 3.372 1.00 1.45 C ATOM 27 C GLY A2055 -7.607 7.600 3.629 1.00 1.28 C ATOM 28 O GLY A2055 -7.002 8.188 4.529 1.00 1.66 O ATOM 0 H GLY A2055 -5.489 6.579 2.565 1.00 1.77 H new ATOM 0 HA2 GLY A2055 -7.978 5.807 2.531 1.00 1.45 H new ATOM 0 HA3 GLY A2055 -7.684 5.556 4.240 1.00 1.45 H new ATOM 32 N ASP A2056 -8.489 8.194 2.844 1.00 1.08 N ATOM 33 CA ASP A2056 -8.757 9.620 2.944 1.00 1.00 C ATOM 34 C ASP A2056 -9.699 9.902 4.108 1.00 1.03 C ATOM 35 O ASP A2056 -10.740 9.263 4.241 1.00 1.04 O ATOM 36 CB ASP A2056 -9.374 10.137 1.643 1.00 1.12 C ATOM 37 CG ASP A2056 -9.215 11.637 1.497 1.00 1.80 C ATOM 38 OD1 ASP A2056 -8.219 12.077 0.882 1.00 2.41 O ATOM 39 OD2 ASP A2056 -10.078 12.383 1.999 1.00 2.42 O ATOM 0 H ASP A2056 -9.033 7.711 2.129 1.00 1.08 H new ATOM 0 HA ASP A2056 -7.813 10.136 3.119 1.00 1.00 H new ATOM 0 HB2 ASP A2056 -8.904 9.638 0.795 1.00 1.12 H new ATOM 0 HB3 ASP A2056 -10.433 9.880 1.617 1.00 1.12 H new ATOM 44 N PRO A2057 -9.333 10.850 4.982 1.00 1.20 N ATOM 45 CA PRO A2057 -10.168 11.229 6.123 1.00 1.36 C ATOM 46 C PRO A2057 -11.436 11.967 5.701 1.00 1.24 C ATOM 47 O PRO A2057 -12.417 12.008 6.444 1.00 1.34 O ATOM 48 CB PRO A2057 -9.263 12.146 6.947 1.00 1.72 C ATOM 49 CG PRO A2057 -8.272 12.683 5.974 1.00 1.71 C ATOM 50 CD PRO A2057 -8.071 11.610 4.941 1.00 1.41 C ATOM 0 HA PRO A2057 -10.520 10.355 6.671 1.00 1.36 H new ATOM 0 HB2 PRO A2057 -9.834 12.949 7.413 1.00 1.72 H new ATOM 0 HB3 PRO A2057 -8.771 11.597 7.750 1.00 1.72 H new ATOM 0 HG2 PRO A2057 -8.637 13.602 5.514 1.00 1.71 H new ATOM 0 HG3 PRO A2057 -7.332 12.926 6.470 1.00 1.71 H new ATOM 0 HD2 PRO A2057 -7.890 12.033 3.953 1.00 1.41 H new ATOM 0 HD3 PRO A2057 -7.215 10.979 5.179 1.00 1.41 H new ATOM 58 N LEU A2058 -11.412 12.549 4.509 1.00 1.18 N ATOM 59 CA LEU A2058 -12.572 13.254 3.985 1.00 1.17 C ATOM 60 C LEU A2058 -13.411 12.315 3.131 1.00 1.00 C ATOM 61 O LEU A2058 -14.619 12.503 2.985 1.00 1.06 O ATOM 62 CB LEU A2058 -12.159 14.480 3.158 1.00 1.35 C ATOM 63 CG LEU A2058 -11.687 15.714 3.944 1.00 1.71 C ATOM 64 CD1 LEU A2058 -12.745 16.156 4.943 1.00 2.34 C ATOM 65 CD2 LEU A2058 -10.363 15.450 4.645 1.00 2.10 C ATOM 0 H LEU A2058 -10.603 12.546 3.888 1.00 1.18 H new ATOM 0 HA LEU A2058 -13.162 13.602 4.833 1.00 1.17 H new ATOM 0 HB2 LEU A2058 -11.359 14.181 2.481 1.00 1.35 H new ATOM 0 HB3 LEU A2058 -13.006 14.774 2.539 1.00 1.35 H new ATOM 0 HG LEU A2058 -11.531 16.522 3.229 1.00 1.71 H new ATOM 0 HD11 LEU A2058 -12.389 17.031 5.487 1.00 2.34 H new ATOM 0 HD12 LEU A2058 -13.663 16.408 4.413 1.00 2.34 H new ATOM 0 HD13 LEU A2058 -12.942 15.347 5.646 1.00 2.34 H new ATOM 0 HD21 LEU A2058 -10.057 16.342 5.192 1.00 2.10 H new ATOM 0 HD22 LEU A2058 -10.479 14.619 5.341 1.00 2.10 H new ATOM 0 HD23 LEU A2058 -9.603 15.199 3.905 1.00 2.10 H new ATOM 77 N VAL A2059 -12.764 11.308 2.557 1.00 0.86 N ATOM 78 CA VAL A2059 -13.466 10.316 1.755 1.00 0.74 C ATOM 79 C VAL A2059 -13.147 8.912 2.248 1.00 0.66 C ATOM 80 O VAL A2059 -12.169 8.304 1.807 1.00 0.62 O ATOM 81 CB VAL A2059 -13.098 10.383 0.260 1.00 0.75 C ATOM 82 CG1 VAL A2059 -14.239 9.828 -0.579 1.00 0.80 C ATOM 83 CG2 VAL A2059 -12.735 11.798 -0.166 1.00 0.87 C ATOM 0 H VAL A2059 -11.758 11.158 2.632 1.00 0.86 H new ATOM 0 HA VAL A2059 -14.527 10.541 1.864 1.00 0.74 H new ATOM 0 HB VAL A2059 -12.213 9.768 0.097 1.00 0.75 H new ATOM 0 HG11 VAL A2059 -13.972 9.878 -1.635 1.00 0.80 H new ATOM 0 HG12 VAL A2059 -14.424 8.791 -0.301 1.00 0.80 H new ATOM 0 HG13 VAL A2059 -15.139 10.417 -0.404 1.00 0.80 H new ATOM 0 HG21 VAL A2059 -12.482 11.805 -1.226 1.00 0.87 H new ATOM 0 HG22 VAL A2059 -13.584 12.460 0.009 1.00 0.87 H new ATOM 0 HG23 VAL A2059 -11.880 12.144 0.414 1.00 0.87 H new ATOM 93 N PRO A2060 -13.949 8.384 3.184 1.00 0.71 N ATOM 94 CA PRO A2060 -13.774 7.021 3.680 1.00 0.72 C ATOM 95 C PRO A2060 -13.838 5.998 2.547 1.00 0.59 C ATOM 96 O PRO A2060 -14.827 5.929 1.811 1.00 0.58 O ATOM 97 CB PRO A2060 -14.942 6.823 4.658 1.00 0.87 C ATOM 98 CG PRO A2060 -15.896 7.931 4.372 1.00 1.04 C ATOM 99 CD PRO A2060 -15.072 9.067 3.840 1.00 0.86 C ATOM 0 HA PRO A2060 -12.800 6.879 4.149 1.00 0.72 H new ATOM 0 HB2 PRO A2060 -15.415 5.852 4.513 1.00 0.87 H new ATOM 0 HB3 PRO A2060 -14.598 6.859 5.692 1.00 0.87 H new ATOM 0 HG2 PRO A2060 -16.646 7.621 3.645 1.00 1.04 H new ATOM 0 HG3 PRO A2060 -16.430 8.227 5.275 1.00 1.04 H new ATOM 0 HD2 PRO A2060 -15.637 9.680 3.138 1.00 0.86 H new ATOM 0 HD3 PRO A2060 -14.732 9.727 4.638 1.00 0.86 H new ATOM 107 N ILE A2061 -12.762 5.233 2.404 1.00 0.62 N ATOM 108 CA ILE A2061 -12.658 4.210 1.369 1.00 0.56 C ATOM 109 C ILE A2061 -13.855 3.265 1.418 1.00 0.51 C ATOM 110 O ILE A2061 -14.232 2.782 2.486 1.00 0.57 O ATOM 111 CB ILE A2061 -11.359 3.391 1.527 1.00 0.69 C ATOM 112 CG1 ILE A2061 -10.128 4.302 1.430 1.00 0.77 C ATOM 113 CG2 ILE A2061 -11.290 2.281 0.485 1.00 0.75 C ATOM 114 CD1 ILE A2061 -10.002 5.035 0.110 1.00 0.76 C ATOM 0 H ILE A2061 -11.938 5.304 3.001 1.00 0.62 H new ATOM 0 HA ILE A2061 -12.642 4.722 0.407 1.00 0.56 H new ATOM 0 HB ILE A2061 -11.366 2.931 2.515 1.00 0.69 H new ATOM 0 HG12 ILE A2061 -10.167 5.034 2.237 1.00 0.77 H new ATOM 0 HG13 ILE A2061 -9.232 3.701 1.587 1.00 0.77 H new ATOM 0 HG21 ILE A2061 -10.367 1.717 0.615 1.00 0.75 H new ATOM 0 HG22 ILE A2061 -12.143 1.614 0.607 1.00 0.75 H new ATOM 0 HG23 ILE A2061 -11.311 2.718 -0.514 1.00 0.75 H new ATOM 0 HD11 ILE A2061 -9.107 5.657 0.123 1.00 0.76 H new ATOM 0 HD12 ILE A2061 -9.930 4.312 -0.702 1.00 0.76 H new ATOM 0 HD13 ILE A2061 -10.879 5.665 -0.042 1.00 0.76 H new ATOM 126 N ASP A2062 -14.449 3.012 0.259 1.00 0.45 N ATOM 127 CA ASP A2062 -15.632 2.171 0.181 1.00 0.43 C ATOM 128 C ASP A2062 -15.290 0.735 0.550 1.00 0.43 C ATOM 129 O ASP A2062 -14.293 0.183 0.092 1.00 0.43 O ATOM 130 CB ASP A2062 -16.244 2.220 -1.214 1.00 0.44 C ATOM 131 CG ASP A2062 -17.578 1.511 -1.262 1.00 0.71 C ATOM 132 OD1 ASP A2062 -18.584 2.102 -0.812 1.00 1.42 O ATOM 133 OD2 ASP A2062 -17.625 0.362 -1.742 1.00 1.40 O ATOM 0 H ASP A2062 -14.130 3.378 -0.638 1.00 0.45 H new ATOM 0 HA ASP A2062 -16.364 2.554 0.892 1.00 0.43 H new ATOM 0 HB2 ASP A2062 -16.372 3.258 -1.519 1.00 0.44 H new ATOM 0 HB3 ASP A2062 -15.561 1.760 -1.928 1.00 0.44 H new ATOM 138 N GLU A2063 -16.131 0.127 1.363 1.00 0.47 N ATOM 139 CA GLU A2063 -15.823 -1.171 1.936 1.00 0.52 C ATOM 140 C GLU A2063 -16.376 -2.311 1.090 1.00 0.51 C ATOM 141 O GLU A2063 -16.160 -3.483 1.401 1.00 0.58 O ATOM 142 CB GLU A2063 -16.373 -1.238 3.356 1.00 0.64 C ATOM 143 CG GLU A2063 -15.836 -0.132 4.247 1.00 0.72 C ATOM 144 CD GLU A2063 -16.403 -0.186 5.647 1.00 0.87 C ATOM 145 OE1 GLU A2063 -17.183 0.715 6.015 1.00 1.55 O ATOM 146 OE2 GLU A2063 -16.074 -1.130 6.386 1.00 1.30 O ATOM 0 H GLU A2063 -17.034 0.510 1.643 1.00 0.47 H new ATOM 0 HA GLU A2063 -14.740 -1.289 1.957 1.00 0.52 H new ATOM 0 HB2 GLU A2063 -17.461 -1.176 3.323 1.00 0.64 H new ATOM 0 HB3 GLU A2063 -16.122 -2.205 3.793 1.00 0.64 H new ATOM 0 HG2 GLU A2063 -14.750 -0.205 4.296 1.00 0.72 H new ATOM 0 HG3 GLU A2063 -16.070 0.835 3.801 1.00 0.72 H new ATOM 153 N THR A2064 -17.082 -1.977 0.018 1.00 0.49 N ATOM 154 CA THR A2064 -17.618 -2.998 -0.867 1.00 0.54 C ATOM 155 C THR A2064 -16.851 -3.066 -2.186 1.00 0.50 C ATOM 156 O THR A2064 -17.181 -3.862 -3.067 1.00 0.59 O ATOM 157 CB THR A2064 -19.124 -2.789 -1.132 1.00 0.60 C ATOM 158 OG1 THR A2064 -19.390 -1.444 -1.558 1.00 0.58 O ATOM 159 CG2 THR A2064 -19.925 -3.085 0.122 1.00 0.69 C ATOM 0 H THR A2064 -17.294 -1.018 -0.256 1.00 0.49 H new ATOM 0 HA THR A2064 -17.492 -3.952 -0.354 1.00 0.54 H new ATOM 0 HB THR A2064 -19.421 -3.475 -1.925 1.00 0.60 H new ATOM 0 HG1 THR A2064 -18.573 -1.051 -1.929 1.00 0.58 H new ATOM 0 HG21 THR A2064 -20.985 -2.933 -0.079 1.00 0.69 H new ATOM 0 HG22 THR A2064 -19.757 -4.118 0.425 1.00 0.69 H new ATOM 0 HG23 THR A2064 -19.609 -2.416 0.922 1.00 0.69 H new ATOM 167 N VAL A2065 -15.814 -2.248 -2.316 1.00 0.44 N ATOM 168 CA VAL A2065 -14.969 -2.280 -3.506 1.00 0.43 C ATOM 169 C VAL A2065 -13.783 -3.211 -3.288 1.00 0.37 C ATOM 170 O VAL A2065 -13.701 -3.885 -2.259 1.00 0.46 O ATOM 171 CB VAL A2065 -14.448 -0.880 -3.880 1.00 0.48 C ATOM 172 CG1 VAL A2065 -15.598 0.054 -4.213 1.00 0.82 C ATOM 173 CG2 VAL A2065 -13.595 -0.315 -2.760 1.00 0.57 C ATOM 0 H VAL A2065 -15.538 -1.558 -1.618 1.00 0.44 H new ATOM 0 HA VAL A2065 -15.586 -2.647 -4.326 1.00 0.43 H new ATOM 0 HB VAL A2065 -13.825 -0.972 -4.770 1.00 0.48 H new ATOM 0 HG11 VAL A2065 -15.205 1.037 -4.474 1.00 0.82 H new ATOM 0 HG12 VAL A2065 -16.160 -0.347 -5.056 1.00 0.82 H new ATOM 0 HG13 VAL A2065 -16.256 0.144 -3.348 1.00 0.82 H new ATOM 0 HG21 VAL A2065 -13.235 0.675 -3.041 1.00 0.57 H new ATOM 0 HG22 VAL A2065 -14.192 -0.240 -1.851 1.00 0.57 H new ATOM 0 HG23 VAL A2065 -12.745 -0.974 -2.583 1.00 0.57 H new ATOM 183 N GLU A2066 -12.872 -3.250 -4.254 1.00 0.34 N ATOM 184 CA GLU A2066 -11.689 -4.092 -4.156 1.00 0.32 C ATOM 185 C GLU A2066 -10.520 -3.339 -3.523 1.00 0.26 C ATOM 186 O GLU A2066 -10.032 -2.339 -4.071 1.00 0.28 O ATOM 187 CB GLU A2066 -11.271 -4.601 -5.535 1.00 0.40 C ATOM 188 CG GLU A2066 -10.032 -5.480 -5.505 1.00 0.43 C ATOM 189 CD GLU A2066 -9.489 -5.775 -6.885 1.00 0.61 C ATOM 190 OE1 GLU A2066 -8.758 -4.924 -7.437 1.00 0.68 O ATOM 191 OE2 GLU A2066 -9.780 -6.863 -7.424 1.00 0.78 O ATOM 0 H GLU A2066 -12.932 -2.706 -5.115 1.00 0.34 H new ATOM 0 HA GLU A2066 -11.948 -4.938 -3.520 1.00 0.32 H new ATOM 0 HB2 GLU A2066 -12.096 -5.164 -5.971 1.00 0.40 H new ATOM 0 HB3 GLU A2066 -11.086 -3.748 -6.188 1.00 0.40 H new ATOM 0 HG2 GLU A2066 -9.259 -4.990 -4.913 1.00 0.43 H new ATOM 0 HG3 GLU A2066 -10.270 -6.419 -5.005 1.00 0.43 H new ATOM 198 N PRO A2067 -10.099 -3.775 -2.329 1.00 0.27 N ATOM 199 CA PRO A2067 -8.849 -3.369 -1.731 1.00 0.30 C ATOM 200 C PRO A2067 -7.773 -4.447 -1.904 1.00 0.28 C ATOM 201 O PRO A2067 -7.827 -5.493 -1.264 1.00 0.34 O ATOM 202 CB PRO A2067 -9.245 -3.213 -0.260 1.00 0.41 C ATOM 203 CG PRO A2067 -10.435 -4.115 -0.056 1.00 0.45 C ATOM 204 CD PRO A2067 -10.833 -4.649 -1.413 1.00 0.37 C ATOM 0 HA PRO A2067 -8.419 -2.470 -2.173 1.00 0.30 H new ATOM 0 HB2 PRO A2067 -8.423 -3.495 0.398 1.00 0.41 H new ATOM 0 HB3 PRO A2067 -9.496 -2.177 -0.030 1.00 0.41 H new ATOM 0 HG2 PRO A2067 -10.186 -4.933 0.621 1.00 0.45 H new ATOM 0 HG3 PRO A2067 -11.260 -3.566 0.398 1.00 0.45 H new ATOM 0 HD2 PRO A2067 -10.550 -5.694 -1.536 1.00 0.37 H new ATOM 0 HD3 PRO A2067 -11.910 -4.590 -1.572 1.00 0.37 H new ATOM 212 N THR A2068 -6.799 -4.191 -2.764 1.00 0.29 N ATOM 213 CA THR A2068 -5.755 -5.170 -3.052 1.00 0.32 C ATOM 214 C THR A2068 -4.450 -4.475 -3.402 1.00 0.39 C ATOM 215 O THR A2068 -4.346 -3.253 -3.329 1.00 0.70 O ATOM 216 CB THR A2068 -6.144 -6.078 -4.240 1.00 0.34 C ATOM 217 OG1 THR A2068 -6.584 -5.279 -5.346 1.00 0.38 O ATOM 218 CG2 THR A2068 -7.231 -7.071 -3.859 1.00 0.36 C ATOM 0 H THR A2068 -6.707 -3.314 -3.276 1.00 0.29 H new ATOM 0 HA THR A2068 -5.634 -5.775 -2.154 1.00 0.32 H new ATOM 0 HB THR A2068 -5.258 -6.645 -4.525 1.00 0.34 H new ATOM 0 HG1 THR A2068 -6.827 -5.863 -6.095 1.00 0.38 H new ATOM 0 HG21 THR A2068 -7.476 -7.691 -4.721 1.00 0.36 H new ATOM 0 HG22 THR A2068 -6.876 -7.705 -3.046 1.00 0.36 H new ATOM 0 HG23 THR A2068 -8.121 -6.530 -3.536 1.00 0.36 H new ATOM 226 N PHE A2069 -3.442 -5.255 -3.739 1.00 0.25 N ATOM 227 CA PHE A2069 -2.251 -4.714 -4.359 1.00 0.26 C ATOM 228 C PHE A2069 -2.331 -4.999 -5.844 1.00 0.27 C ATOM 229 O PHE A2069 -2.810 -6.057 -6.248 1.00 0.31 O ATOM 230 CB PHE A2069 -0.983 -5.327 -3.759 1.00 0.31 C ATOM 231 CG PHE A2069 -0.930 -5.252 -2.259 1.00 0.28 C ATOM 232 CD1 PHE A2069 -0.181 -6.159 -1.536 1.00 1.14 C ATOM 233 CD2 PHE A2069 -1.650 -4.288 -1.571 1.00 1.12 C ATOM 234 CE1 PHE A2069 -0.152 -6.108 -0.160 1.00 1.16 C ATOM 235 CE2 PHE A2069 -1.623 -4.231 -0.196 1.00 1.15 C ATOM 236 CZ PHE A2069 -0.874 -5.143 0.509 1.00 0.42 C ATOM 0 H PHE A2069 -3.425 -6.264 -3.594 1.00 0.25 H new ATOM 0 HA PHE A2069 -2.198 -3.640 -4.180 1.00 0.26 H new ATOM 0 HB2 PHE A2069 -0.914 -6.371 -4.065 1.00 0.31 H new ATOM 0 HB3 PHE A2069 -0.113 -4.816 -4.171 1.00 0.31 H new ATOM 0 HD1 PHE A2069 0.388 -6.916 -2.055 1.00 1.14 H new ATOM 0 HD2 PHE A2069 -2.241 -3.571 -2.122 1.00 1.12 H new ATOM 0 HE1 PHE A2069 0.436 -6.824 0.395 1.00 1.16 H new ATOM 0 HE2 PHE A2069 -2.188 -3.473 0.327 1.00 1.15 H new ATOM 0 HZ PHE A2069 -0.851 -5.103 1.588 1.00 0.42 H new ATOM 246 N GLU A2070 -1.864 -4.054 -6.649 1.00 0.30 N ATOM 247 CA GLU A2070 -2.018 -4.122 -8.097 1.00 0.36 C ATOM 248 C GLU A2070 -1.261 -5.315 -8.679 1.00 0.36 C ATOM 249 O GLU A2070 -1.501 -5.725 -9.814 1.00 0.44 O ATOM 250 CB GLU A2070 -1.538 -2.814 -8.732 1.00 0.52 C ATOM 251 CG GLU A2070 -1.782 -2.730 -10.230 1.00 0.66 C ATOM 252 CD GLU A2070 -1.458 -1.368 -10.798 1.00 1.36 C ATOM 253 OE1 GLU A2070 -2.396 -0.570 -11.003 1.00 2.09 O ATOM 254 OE2 GLU A2070 -0.268 -1.090 -11.046 1.00 2.01 O ATOM 0 H GLU A2070 -1.371 -3.224 -6.320 1.00 0.30 H new ATOM 0 HA GLU A2070 -3.075 -4.261 -8.325 1.00 0.36 H new ATOM 0 HB2 GLU A2070 -2.041 -1.979 -8.245 1.00 0.52 H new ATOM 0 HB3 GLU A2070 -0.471 -2.699 -8.541 1.00 0.52 H new ATOM 0 HG2 GLU A2070 -1.177 -3.483 -10.735 1.00 0.66 H new ATOM 0 HG3 GLU A2070 -2.825 -2.967 -10.438 1.00 0.66 H new ATOM 261 N ASP A2071 -0.357 -5.876 -7.884 1.00 0.40 N ATOM 262 CA ASP A2071 0.392 -7.060 -8.285 1.00 0.53 C ATOM 263 C ASP A2071 -0.403 -8.332 -7.995 1.00 0.50 C ATOM 264 O ASP A2071 0.078 -9.442 -8.222 1.00 0.62 O ATOM 265 CB ASP A2071 1.744 -7.113 -7.566 1.00 0.69 C ATOM 266 CG ASP A2071 2.686 -6.014 -8.011 1.00 1.42 C ATOM 267 OD1 ASP A2071 2.879 -5.039 -7.252 1.00 2.06 O ATOM 268 OD2 ASP A2071 3.249 -6.121 -9.122 1.00 2.15 O ATOM 0 H ASP A2071 -0.125 -5.528 -6.954 1.00 0.40 H new ATOM 0 HA ASP A2071 0.567 -6.997 -9.359 1.00 0.53 H new ATOM 0 HB2 ASP A2071 1.582 -7.034 -6.491 1.00 0.69 H new ATOM 0 HB3 ASP A2071 2.210 -8.081 -7.748 1.00 0.69 H new ATOM 273 N GLY A2072 -1.617 -8.162 -7.485 1.00 0.43 N ATOM 274 CA GLY A2072 -2.484 -9.295 -7.219 1.00 0.48 C ATOM 275 C GLY A2072 -2.231 -9.919 -5.862 1.00 0.48 C ATOM 276 O GLY A2072 -2.539 -11.091 -5.641 1.00 0.63 O ATOM 0 H GLY A2072 -2.018 -7.254 -7.250 1.00 0.43 H new ATOM 0 HA2 GLY A2072 -3.524 -8.973 -7.278 1.00 0.48 H new ATOM 0 HA3 GLY A2072 -2.339 -10.048 -7.993 1.00 0.48 H new ATOM 280 N SER A2073 -1.673 -9.140 -4.953 1.00 0.37 N ATOM 281 CA SER A2073 -1.333 -9.635 -3.629 1.00 0.38 C ATOM 282 C SER A2073 -2.234 -9.021 -2.556 1.00 0.35 C ATOM 283 O SER A2073 -2.938 -8.034 -2.804 1.00 0.38 O ATOM 284 CB SER A2073 0.141 -9.344 -3.345 1.00 0.46 C ATOM 285 OG SER A2073 0.543 -8.119 -3.939 1.00 0.89 O ATOM 0 H SER A2073 -1.444 -8.158 -5.107 1.00 0.37 H new ATOM 0 HA SER A2073 -1.496 -10.712 -3.602 1.00 0.38 H new ATOM 0 HB2 SER A2073 0.306 -9.301 -2.268 1.00 0.46 H new ATOM 0 HB3 SER A2073 0.756 -10.157 -3.729 1.00 0.46 H new ATOM 0 HG SER A2073 1.489 -7.955 -3.742 1.00 0.89 H new ATOM 291 N LYS A2074 -2.227 -9.636 -1.376 1.00 0.35 N ATOM 292 CA LYS A2074 -3.030 -9.174 -0.250 1.00 0.34 C ATOM 293 C LYS A2074 -2.135 -8.661 0.877 1.00 0.34 C ATOM 294 O LYS A2074 -2.399 -7.613 1.460 1.00 0.42 O ATOM 295 CB LYS A2074 -3.931 -10.301 0.266 1.00 0.39 C ATOM 296 CG LYS A2074 -4.996 -10.748 -0.727 1.00 0.53 C ATOM 297 CD LYS A2074 -5.969 -9.624 -1.056 1.00 0.43 C ATOM 298 CE LYS A2074 -7.153 -10.119 -1.876 1.00 0.55 C ATOM 299 NZ LYS A2074 -6.732 -10.719 -3.171 1.00 1.13 N ATOM 0 H LYS A2074 -1.667 -10.465 -1.175 1.00 0.35 H new ATOM 0 HA LYS A2074 -3.658 -8.353 -0.596 1.00 0.34 H new ATOM 0 HB2 LYS A2074 -3.310 -11.158 0.527 1.00 0.39 H new ATOM 0 HB3 LYS A2074 -4.420 -9.971 1.183 1.00 0.39 H new ATOM 0 HG2 LYS A2074 -4.517 -11.094 -1.643 1.00 0.53 H new ATOM 0 HG3 LYS A2074 -5.545 -11.595 -0.315 1.00 0.53 H new ATOM 0 HD2 LYS A2074 -6.331 -9.175 -0.131 1.00 0.43 H new ATOM 0 HD3 LYS A2074 -5.447 -8.842 -1.608 1.00 0.43 H new ATOM 0 HE2 LYS A2074 -7.708 -10.859 -1.299 1.00 0.55 H new ATOM 0 HE3 LYS A2074 -7.833 -9.288 -2.067 1.00 0.55 H new ATOM 0 HZ1 LYS A2074 -7.574 -10.948 -3.737 1.00 1.13 H new ATOM 0 HZ2 LYS A2074 -6.139 -10.041 -3.691 1.00 1.13 H new ATOM 0 HZ3 LYS A2074 -6.189 -11.587 -2.991 1.00 1.13 H new ATOM 313 N GLU A2075 -1.083 -9.407 1.185 1.00 0.33 N ATOM 314 CA GLU A2075 -0.087 -8.954 2.147 1.00 0.32 C ATOM 315 C GLU A2075 1.270 -8.871 1.479 1.00 0.34 C ATOM 316 O GLU A2075 1.640 -9.745 0.696 1.00 0.47 O ATOM 317 CB GLU A2075 0.011 -9.877 3.366 1.00 0.36 C ATOM 318 CG GLU A2075 -0.903 -9.498 4.509 1.00 0.91 C ATOM 319 CD GLU A2075 -2.376 -9.628 4.177 1.00 1.40 C ATOM 320 OE1 GLU A2075 -3.101 -8.621 4.285 1.00 2.08 O ATOM 321 OE2 GLU A2075 -2.819 -10.748 3.829 1.00 1.88 O ATOM 0 H GLU A2075 -0.897 -10.326 0.784 1.00 0.33 H new ATOM 0 HA GLU A2075 -0.403 -7.971 2.497 1.00 0.32 H new ATOM 0 HB2 GLU A2075 -0.219 -10.896 3.055 1.00 0.36 H new ATOM 0 HB3 GLU A2075 1.040 -9.878 3.724 1.00 0.36 H new ATOM 0 HG2 GLU A2075 -0.676 -10.128 5.369 1.00 0.91 H new ATOM 0 HG3 GLU A2075 -0.695 -8.469 4.804 1.00 0.91 H new ATOM 328 N LYS A2076 2.001 -7.816 1.778 1.00 0.35 N ATOM 329 CA LYS A2076 3.333 -7.645 1.230 1.00 0.38 C ATOM 330 C LYS A2076 4.321 -7.381 2.355 1.00 0.37 C ATOM 331 O LYS A2076 4.417 -6.261 2.854 1.00 0.37 O ATOM 332 CB LYS A2076 3.355 -6.484 0.229 1.00 0.44 C ATOM 333 CG LYS A2076 4.104 -6.783 -1.063 1.00 0.88 C ATOM 334 CD LYS A2076 5.575 -7.078 -0.818 1.00 0.91 C ATOM 335 CE LYS A2076 5.917 -8.524 -1.140 1.00 0.88 C ATOM 336 NZ LYS A2076 5.630 -8.862 -2.559 1.00 1.48 N ATOM 0 H LYS A2076 1.696 -7.064 2.397 1.00 0.35 H new ATOM 0 HA LYS A2076 3.618 -8.558 0.708 1.00 0.38 H new ATOM 0 HB2 LYS A2076 2.328 -6.211 -0.015 1.00 0.44 H new ATOM 0 HB3 LYS A2076 3.811 -5.617 0.707 1.00 0.44 H new ATOM 0 HG2 LYS A2076 3.642 -7.636 -1.560 1.00 0.88 H new ATOM 0 HG3 LYS A2076 4.013 -5.933 -1.739 1.00 0.88 H new ATOM 0 HD2 LYS A2076 6.187 -6.414 -1.429 1.00 0.91 H new ATOM 0 HD3 LYS A2076 5.820 -6.869 0.223 1.00 0.91 H new ATOM 0 HE2 LYS A2076 6.972 -8.702 -0.931 1.00 0.88 H new ATOM 0 HE3 LYS A2076 5.347 -9.185 -0.487 1.00 0.88 H new ATOM 0 HZ1 LYS A2076 6.267 -9.622 -2.870 1.00 1.48 H new ATOM 0 HZ2 LYS A2076 4.643 -9.179 -2.648 1.00 1.48 H new ATOM 0 HZ3 LYS A2076 5.778 -8.021 -3.153 1.00 1.48 H new ATOM 350 N THR A2077 5.034 -8.418 2.765 1.00 0.45 N ATOM 351 CA THR A2077 6.065 -8.274 3.776 1.00 0.47 C ATOM 352 C THR A2077 7.440 -8.471 3.164 1.00 0.52 C ATOM 353 O THR A2077 7.729 -9.511 2.568 1.00 0.63 O ATOM 354 CB THR A2077 5.896 -9.279 4.931 1.00 0.50 C ATOM 355 OG1 THR A2077 4.583 -9.163 5.495 1.00 0.48 O ATOM 356 CG2 THR A2077 6.945 -9.033 6.011 1.00 0.55 C ATOM 0 H THR A2077 4.916 -9.368 2.412 1.00 0.45 H new ATOM 0 HA THR A2077 5.967 -7.265 4.177 1.00 0.47 H new ATOM 0 HB THR A2077 6.029 -10.286 4.535 1.00 0.50 H new ATOM 0 HG1 THR A2077 4.484 -9.806 6.227 1.00 0.48 H new ATOM 0 HG21 THR A2077 6.811 -9.752 6.819 1.00 0.55 H new ATOM 0 HG22 THR A2077 7.941 -9.149 5.584 1.00 0.55 H new ATOM 0 HG23 THR A2077 6.834 -8.022 6.403 1.00 0.55 H new ATOM 364 N ILE A2078 8.273 -7.462 3.296 1.00 0.51 N ATOM 365 CA ILE A2078 9.654 -7.551 2.873 1.00 0.60 C ATOM 366 C ILE A2078 10.544 -7.148 4.040 1.00 0.60 C ATOM 367 O ILE A2078 10.332 -6.094 4.637 1.00 0.53 O ATOM 368 CB ILE A2078 9.919 -6.656 1.643 1.00 0.67 C ATOM 369 CG1 ILE A2078 9.043 -7.107 0.471 1.00 0.75 C ATOM 370 CG2 ILE A2078 11.391 -6.692 1.255 1.00 0.80 C ATOM 371 CD1 ILE A2078 9.118 -6.201 -0.735 1.00 1.62 C ATOM 0 H ILE A2078 8.014 -6.561 3.698 1.00 0.51 H new ATOM 0 HA ILE A2078 9.878 -8.576 2.576 1.00 0.60 H new ATOM 0 HB ILE A2078 9.664 -5.628 1.899 1.00 0.67 H new ATOM 0 HG12 ILE A2078 9.339 -8.114 0.176 1.00 0.75 H new ATOM 0 HG13 ILE A2078 8.007 -7.165 0.806 1.00 0.75 H new ATOM 0 HG21 ILE A2078 11.554 -6.054 0.386 1.00 0.80 H new ATOM 0 HG22 ILE A2078 11.996 -6.332 2.088 1.00 0.80 H new ATOM 0 HG23 ILE A2078 11.679 -7.715 1.013 1.00 0.80 H new ATOM 0 HD11 ILE A2078 8.470 -6.588 -1.522 1.00 1.62 H new ATOM 0 HD12 ILE A2078 8.793 -5.198 -0.458 1.00 1.62 H new ATOM 0 HD13 ILE A2078 10.145 -6.162 -1.098 1.00 1.62 H new ATOM 383 N PRO A2079 11.510 -8.010 4.412 1.00 0.72 N ATOM 384 CA PRO A2079 12.376 -7.796 5.579 1.00 0.79 C ATOM 385 C PRO A2079 12.957 -6.386 5.648 1.00 0.74 C ATOM 386 O PRO A2079 13.803 -6.007 4.836 1.00 0.76 O ATOM 387 CB PRO A2079 13.490 -8.822 5.383 1.00 0.94 C ATOM 388 CG PRO A2079 12.848 -9.928 4.622 1.00 0.98 C ATOM 389 CD PRO A2079 11.830 -9.278 3.723 1.00 0.85 C ATOM 0 HA PRO A2079 11.823 -7.909 6.511 1.00 0.79 H new ATOM 0 HB2 PRO A2079 14.329 -8.396 4.833 1.00 0.94 H new ATOM 0 HB3 PRO A2079 13.880 -9.172 6.339 1.00 0.94 H new ATOM 0 HG2 PRO A2079 13.586 -10.481 4.040 1.00 0.98 H new ATOM 0 HG3 PRO A2079 12.374 -10.641 5.296 1.00 0.98 H new ATOM 0 HD2 PRO A2079 12.232 -9.101 2.726 1.00 0.85 H new ATOM 0 HD3 PRO A2079 10.945 -9.903 3.603 1.00 0.85 H new ATOM 397 N GLY A2080 12.477 -5.612 6.614 1.00 0.73 N ATOM 398 CA GLY A2080 12.986 -4.274 6.822 1.00 0.76 C ATOM 399 C GLY A2080 12.176 -3.213 6.102 1.00 0.70 C ATOM 400 O GLY A2080 12.326 -2.028 6.382 1.00 0.94 O ATOM 0 H GLY A2080 11.739 -5.892 7.260 1.00 0.73 H new ATOM 0 HA2 GLY A2080 12.993 -4.056 7.890 1.00 0.76 H new ATOM 0 HA3 GLY A2080 14.020 -4.228 6.481 1.00 0.76 H new ATOM 404 N GLN A2081 11.308 -3.630 5.191 1.00 0.54 N ATOM 405 CA GLN A2081 10.544 -2.686 4.382 1.00 0.53 C ATOM 406 C GLN A2081 9.181 -2.422 5.008 1.00 0.50 C ATOM 407 O GLN A2081 8.638 -1.322 4.902 1.00 0.57 O ATOM 408 CB GLN A2081 10.397 -3.217 2.952 1.00 0.57 C ATOM 409 CG GLN A2081 9.555 -2.345 2.037 1.00 0.95 C ATOM 410 CD GLN A2081 8.194 -2.938 1.725 1.00 1.09 C ATOM 411 OE1 GLN A2081 7.621 -3.670 2.529 1.00 2.02 O ATOM 412 NE2 GLN A2081 7.673 -2.634 0.544 1.00 0.87 N ATOM 0 H GLN A2081 11.114 -4.612 4.993 1.00 0.54 H new ATOM 0 HA GLN A2081 11.083 -1.740 4.345 1.00 0.53 H new ATOM 0 HB2 GLN A2081 11.390 -3.327 2.515 1.00 0.57 H new ATOM 0 HB3 GLN A2081 9.955 -4.212 2.992 1.00 0.57 H new ATOM 0 HG2 GLN A2081 9.420 -1.368 2.501 1.00 0.95 H new ATOM 0 HG3 GLN A2081 10.095 -2.182 1.104 1.00 0.95 H new ATOM 0 HE21 GLN A2081 8.181 -2.022 -0.095 1.00 0.87 H new ATOM 0 HE22 GLN A2081 6.765 -3.012 0.275 1.00 0.87 H new ATOM 421 N GLY A2082 8.639 -3.436 5.663 1.00 0.47 N ATOM 422 CA GLY A2082 7.370 -3.286 6.343 1.00 0.50 C ATOM 423 C GLY A2082 6.331 -4.250 5.817 1.00 0.40 C ATOM 424 O GLY A2082 6.675 -5.314 5.294 1.00 0.45 O ATOM 0 H GLY A2082 9.057 -4.364 5.736 1.00 0.47 H new ATOM 0 HA2 GLY A2082 7.509 -3.450 7.412 1.00 0.50 H new ATOM 0 HA3 GLY A2082 7.011 -2.264 6.221 1.00 0.50 H new ATOM 428 N THR A2083 5.062 -3.896 5.969 1.00 0.33 N ATOM 429 CA THR A2083 3.976 -4.714 5.454 1.00 0.29 C ATOM 430 C THR A2083 2.733 -3.874 5.201 1.00 0.25 C ATOM 431 O THR A2083 2.391 -2.974 5.972 1.00 0.30 O ATOM 432 CB THR A2083 3.609 -5.880 6.405 1.00 0.36 C ATOM 433 OG1 THR A2083 4.776 -6.670 6.672 1.00 0.49 O ATOM 434 CG2 THR A2083 2.523 -6.775 5.796 1.00 0.36 C ATOM 0 H THR A2083 4.761 -3.046 6.446 1.00 0.33 H new ATOM 0 HA THR A2083 4.335 -5.137 4.516 1.00 0.29 H new ATOM 0 HB THR A2083 3.225 -5.452 7.331 1.00 0.36 H new ATOM 0 HG1 THR A2083 4.648 -7.573 6.314 1.00 0.49 H new ATOM 0 HG21 THR A2083 2.288 -7.584 6.488 1.00 0.36 H new ATOM 0 HG22 THR A2083 1.626 -6.184 5.610 1.00 0.36 H new ATOM 0 HG23 THR A2083 2.882 -7.194 4.856 1.00 0.36 H new ATOM 442 N TYR A2084 2.086 -4.159 4.097 1.00 0.28 N ATOM 443 CA TYR A2084 0.792 -3.595 3.801 1.00 0.34 C ATOM 444 C TYR A2084 -0.220 -4.725 3.931 1.00 0.32 C ATOM 445 O TYR A2084 -0.068 -5.761 3.284 1.00 0.29 O ATOM 446 CB TYR A2084 0.775 -3.005 2.384 1.00 0.43 C ATOM 447 CG TYR A2084 2.069 -2.322 1.981 1.00 0.44 C ATOM 448 CD1 TYR A2084 2.202 -0.938 2.010 1.00 1.13 C ATOM 449 CD2 TYR A2084 3.164 -3.071 1.570 1.00 1.38 C ATOM 450 CE1 TYR A2084 3.386 -0.327 1.641 1.00 1.15 C ATOM 451 CE2 TYR A2084 4.348 -2.470 1.204 1.00 1.44 C ATOM 452 CZ TYR A2084 4.456 -1.099 1.239 1.00 0.62 C ATOM 453 OH TYR A2084 5.637 -0.498 0.870 1.00 0.76 O ATOM 0 H TYR A2084 2.442 -4.789 3.378 1.00 0.28 H new ATOM 0 HA TYR A2084 0.552 -2.783 4.487 1.00 0.34 H new ATOM 0 HB2 TYR A2084 0.561 -3.803 1.673 1.00 0.43 H new ATOM 0 HB3 TYR A2084 -0.041 -2.286 2.311 1.00 0.43 H new ATOM 0 HD1 TYR A2084 1.367 -0.331 2.326 1.00 1.13 H new ATOM 0 HD2 TYR A2084 3.085 -4.148 1.537 1.00 1.38 H new ATOM 0 HE1 TYR A2084 3.473 0.749 1.667 1.00 1.15 H new ATOM 0 HE2 TYR A2084 5.188 -3.072 0.891 1.00 1.44 H new ATOM 0 HH TYR A2084 5.745 0.342 1.364 1.00 0.76 H new ATOM 463 N THR A2085 -1.203 -4.566 4.800 1.00 0.39 N ATOM 464 CA THR A2085 -2.159 -5.635 5.055 1.00 0.40 C ATOM 465 C THR A2085 -3.579 -5.213 4.701 1.00 0.41 C ATOM 466 O THR A2085 -4.021 -4.118 5.064 1.00 0.49 O ATOM 467 CB THR A2085 -2.118 -6.088 6.532 1.00 0.46 C ATOM 468 OG1 THR A2085 -2.129 -4.949 7.403 1.00 0.63 O ATOM 469 CG2 THR A2085 -0.890 -6.939 6.823 1.00 0.57 C ATOM 0 H THR A2085 -1.362 -3.714 5.339 1.00 0.39 H new ATOM 0 HA THR A2085 -1.869 -6.470 4.417 1.00 0.40 H new ATOM 0 HB THR A2085 -3.005 -6.695 6.712 1.00 0.46 H new ATOM 0 HG1 THR A2085 -2.104 -5.250 8.335 1.00 0.63 H new ATOM 0 HG21 THR A2085 -0.895 -7.239 7.871 1.00 0.57 H new ATOM 0 HG22 THR A2085 -0.905 -7.827 6.191 1.00 0.57 H new ATOM 0 HG23 THR A2085 0.011 -6.361 6.616 1.00 0.57 H new ATOM 477 N ILE A2086 -4.289 -6.079 3.992 1.00 0.39 N ATOM 478 CA ILE A2086 -5.684 -5.835 3.658 1.00 0.40 C ATOM 479 C ILE A2086 -6.578 -6.837 4.373 1.00 0.45 C ATOM 480 O ILE A2086 -6.262 -8.023 4.451 1.00 0.55 O ATOM 481 CB ILE A2086 -5.931 -5.899 2.124 1.00 0.47 C ATOM 482 CG1 ILE A2086 -7.427 -5.743 1.775 1.00 0.56 C ATOM 483 CG2 ILE A2086 -5.383 -7.191 1.543 1.00 0.57 C ATOM 484 CD1 ILE A2086 -8.207 -7.045 1.685 1.00 1.18 C ATOM 0 H ILE A2086 -3.919 -6.960 3.636 1.00 0.39 H new ATOM 0 HA ILE A2086 -5.931 -4.827 3.991 1.00 0.40 H new ATOM 0 HB ILE A2086 -5.399 -5.060 1.676 1.00 0.47 H new ATOM 0 HG12 ILE A2086 -7.895 -5.108 2.527 1.00 0.56 H new ATOM 0 HG13 ILE A2086 -7.509 -5.221 0.821 1.00 0.56 H new ATOM 0 HG21 ILE A2086 -5.567 -7.214 0.469 1.00 0.57 H new ATOM 0 HG22 ILE A2086 -4.310 -7.247 1.729 1.00 0.57 H new ATOM 0 HG23 ILE A2086 -5.878 -8.040 2.014 1.00 0.57 H new ATOM 0 HD11 ILE A2086 -9.246 -6.830 1.436 1.00 1.18 H new ATOM 0 HD12 ILE A2086 -7.771 -7.677 0.911 1.00 1.18 H new ATOM 0 HD13 ILE A2086 -8.163 -7.562 2.643 1.00 1.18 H new ATOM 496 N VAL A2087 -7.681 -6.361 4.918 1.00 0.49 N ATOM 497 CA VAL A2087 -8.671 -7.245 5.504 1.00 0.59 C ATOM 498 C VAL A2087 -10.024 -7.029 4.834 1.00 0.58 C ATOM 499 O VAL A2087 -10.364 -5.904 4.450 1.00 0.53 O ATOM 500 CB VAL A2087 -8.790 -7.056 7.031 1.00 0.73 C ATOM 501 CG1 VAL A2087 -7.524 -7.532 7.724 1.00 0.78 C ATOM 502 CG2 VAL A2087 -9.075 -5.607 7.377 1.00 0.80 C ATOM 0 H VAL A2087 -7.914 -5.369 4.967 1.00 0.49 H new ATOM 0 HA VAL A2087 -8.340 -8.269 5.332 1.00 0.59 H new ATOM 0 HB VAL A2087 -9.627 -7.658 7.385 1.00 0.73 H new ATOM 0 HG11 VAL A2087 -7.624 -7.392 8.800 1.00 0.78 H new ATOM 0 HG12 VAL A2087 -7.367 -8.589 7.509 1.00 0.78 H new ATOM 0 HG13 VAL A2087 -6.672 -6.957 7.361 1.00 0.78 H new ATOM 0 HG21 VAL A2087 -9.154 -5.500 8.459 1.00 0.80 H new ATOM 0 HG22 VAL A2087 -8.264 -4.979 7.009 1.00 0.80 H new ATOM 0 HG23 VAL A2087 -10.012 -5.299 6.912 1.00 0.80 H new ATOM 512 N PRO A2088 -10.804 -8.116 4.677 1.00 0.66 N ATOM 513 CA PRO A2088 -12.062 -8.111 3.912 1.00 0.68 C ATOM 514 C PRO A2088 -13.132 -7.178 4.480 1.00 0.66 C ATOM 515 O PRO A2088 -14.232 -7.087 3.934 1.00 0.69 O ATOM 516 CB PRO A2088 -12.539 -9.566 3.977 1.00 0.81 C ATOM 517 CG PRO A2088 -11.833 -10.159 5.145 1.00 0.97 C ATOM 518 CD PRO A2088 -10.510 -9.452 5.231 1.00 0.78 C ATOM 0 HA PRO A2088 -11.892 -7.740 2.901 1.00 0.68 H new ATOM 0 HB2 PRO A2088 -13.620 -9.620 4.102 1.00 0.81 H new ATOM 0 HB3 PRO A2088 -12.297 -10.101 3.058 1.00 0.81 H new ATOM 0 HG2 PRO A2088 -12.409 -10.022 6.060 1.00 0.97 H new ATOM 0 HG3 PRO A2088 -11.694 -11.232 5.014 1.00 0.97 H new ATOM 0 HD2 PRO A2088 -10.152 -9.392 6.259 1.00 0.78 H new ATOM 0 HD3 PRO A2088 -9.741 -9.966 4.655 1.00 0.78 H new ATOM 526 N ASP A2089 -12.817 -6.492 5.573 1.00 0.67 N ATOM 527 CA ASP A2089 -13.709 -5.481 6.122 1.00 0.73 C ATOM 528 C ASP A2089 -13.782 -4.296 5.165 1.00 0.66 C ATOM 529 O ASP A2089 -14.740 -3.526 5.175 1.00 0.73 O ATOM 530 CB ASP A2089 -13.215 -5.033 7.502 1.00 0.85 C ATOM 531 CG ASP A2089 -14.113 -3.998 8.155 1.00 1.59 C ATOM 532 OD1 ASP A2089 -15.284 -4.317 8.448 1.00 2.29 O ATOM 533 OD2 ASP A2089 -13.640 -2.870 8.414 1.00 2.26 O ATOM 0 H ASP A2089 -11.950 -6.619 6.095 1.00 0.67 H new ATOM 0 HA ASP A2089 -14.707 -5.903 6.239 1.00 0.73 H new ATOM 0 HB2 ASP A2089 -13.142 -5.903 8.154 1.00 0.85 H new ATOM 0 HB3 ASP A2089 -12.210 -4.622 7.405 1.00 0.85 H new ATOM 538 N GLY A2090 -12.766 -4.185 4.319 1.00 0.59 N ATOM 539 CA GLY A2090 -12.711 -3.112 3.350 1.00 0.63 C ATOM 540 C GLY A2090 -11.623 -2.117 3.679 1.00 0.70 C ATOM 541 O GLY A2090 -11.470 -1.099 3.004 1.00 0.83 O ATOM 0 H GLY A2090 -11.973 -4.826 4.288 1.00 0.59 H new ATOM 0 HA2 GLY A2090 -12.537 -3.527 2.357 1.00 0.63 H new ATOM 0 HA3 GLY A2090 -13.673 -2.601 3.318 1.00 0.63 H new ATOM 545 N THR A2091 -10.847 -2.431 4.704 1.00 0.70 N ATOM 546 CA THR A2091 -9.833 -1.519 5.197 1.00 0.79 C ATOM 547 C THR A2091 -8.433 -2.088 4.976 1.00 0.60 C ATOM 548 O THR A2091 -8.214 -3.300 5.065 1.00 0.59 O ATOM 549 CB THR A2091 -10.056 -1.192 6.694 1.00 1.05 C ATOM 550 OG1 THR A2091 -8.994 -0.371 7.200 1.00 1.51 O ATOM 551 CG2 THR A2091 -10.167 -2.462 7.523 1.00 0.86 C ATOM 0 H THR A2091 -10.902 -3.314 5.211 1.00 0.70 H new ATOM 0 HA THR A2091 -9.919 -0.591 4.631 1.00 0.79 H new ATOM 0 HB THR A2091 -10.995 -0.644 6.774 1.00 1.05 H new ATOM 0 HG1 THR A2091 -9.155 -0.175 8.147 1.00 1.51 H new ATOM 0 HG21 THR A2091 -10.323 -2.201 8.570 1.00 0.86 H new ATOM 0 HG22 THR A2091 -11.009 -3.056 7.168 1.00 0.86 H new ATOM 0 HG23 THR A2091 -9.248 -3.041 7.427 1.00 0.86 H new ATOM 559 N VAL A2092 -7.498 -1.200 4.655 1.00 0.60 N ATOM 560 CA VAL A2092 -6.114 -1.574 4.394 1.00 0.54 C ATOM 561 C VAL A2092 -5.189 -0.546 5.022 1.00 0.55 C ATOM 562 O VAL A2092 -5.451 0.655 4.942 1.00 0.78 O ATOM 563 CB VAL A2092 -5.804 -1.632 2.877 1.00 0.79 C ATOM 564 CG1 VAL A2092 -4.405 -2.174 2.620 1.00 1.02 C ATOM 565 CG2 VAL A2092 -6.835 -2.460 2.135 1.00 1.18 C ATOM 0 H VAL A2092 -7.679 -0.200 4.569 1.00 0.60 H new ATOM 0 HA VAL A2092 -5.958 -2.565 4.821 1.00 0.54 H new ATOM 0 HB VAL A2092 -5.850 -0.611 2.498 1.00 0.79 H new ATOM 0 HG11 VAL A2092 -4.217 -2.203 1.547 1.00 1.02 H new ATOM 0 HG12 VAL A2092 -3.670 -1.527 3.100 1.00 1.02 H new ATOM 0 HG13 VAL A2092 -4.324 -3.181 3.029 1.00 1.02 H new ATOM 0 HG21 VAL A2092 -6.589 -2.481 1.073 1.00 1.18 H new ATOM 0 HG22 VAL A2092 -6.836 -3.477 2.527 1.00 1.18 H new ATOM 0 HG23 VAL A2092 -7.822 -2.018 2.270 1.00 1.18 H new ATOM 575 N THR A2093 -4.124 -1.000 5.652 1.00 0.47 N ATOM 576 CA THR A2093 -3.142 -0.087 6.198 1.00 0.53 C ATOM 577 C THR A2093 -1.873 -0.113 5.353 1.00 0.44 C ATOM 578 O THR A2093 -1.261 -1.165 5.151 1.00 0.41 O ATOM 579 CB THR A2093 -2.816 -0.393 7.681 1.00 0.71 C ATOM 580 OG1 THR A2093 -1.817 0.516 8.163 1.00 1.46 O ATOM 581 CG2 THR A2093 -2.336 -1.824 7.871 1.00 0.71 C ATOM 0 H THR A2093 -3.918 -1.988 5.798 1.00 0.47 H new ATOM 0 HA THR A2093 -3.573 0.914 6.167 1.00 0.53 H new ATOM 0 HB THR A2093 -3.737 -0.268 8.251 1.00 0.71 H new ATOM 0 HG1 THR A2093 -0.929 0.121 8.039 1.00 1.46 H new ATOM 0 HG21 THR A2093 -2.118 -1.998 8.925 1.00 0.71 H new ATOM 0 HG22 THR A2093 -3.112 -2.515 7.542 1.00 0.71 H new ATOM 0 HG23 THR A2093 -1.433 -1.986 7.282 1.00 0.71 H new ATOM 589 N PHE A2094 -1.504 1.043 4.823 1.00 0.46 N ATOM 590 CA PHE A2094 -0.285 1.158 4.044 1.00 0.42 C ATOM 591 C PHE A2094 0.865 1.451 5.004 1.00 0.43 C ATOM 592 O PHE A2094 1.057 2.597 5.407 1.00 0.52 O ATOM 593 CB PHE A2094 -0.402 2.286 2.987 1.00 0.51 C ATOM 594 CG PHE A2094 -1.554 2.143 2.007 1.00 0.47 C ATOM 595 CD1 PHE A2094 -2.412 1.053 2.064 1.00 1.21 C ATOM 596 CD2 PHE A2094 -1.782 3.109 1.023 1.00 1.26 C ATOM 597 CE1 PHE A2094 -3.460 0.928 1.176 1.00 1.23 C ATOM 598 CE2 PHE A2094 -2.830 2.980 0.136 1.00 1.27 C ATOM 599 CZ PHE A2094 -3.668 1.891 0.212 1.00 0.55 C ATOM 0 H PHE A2094 -2.031 1.911 4.919 1.00 0.46 H new ATOM 0 HA PHE A2094 -0.105 0.226 3.508 1.00 0.42 H new ATOM 0 HB2 PHE A2094 -0.505 3.239 3.507 1.00 0.51 H new ATOM 0 HB3 PHE A2094 0.530 2.330 2.423 1.00 0.51 H new ATOM 0 HD1 PHE A2094 -2.257 0.292 2.814 1.00 1.21 H new ATOM 0 HD2 PHE A2094 -1.129 3.967 0.956 1.00 1.26 H new ATOM 0 HE1 PHE A2094 -4.119 0.074 1.236 1.00 1.23 H new ATOM 0 HE2 PHE A2094 -2.993 3.735 -0.619 1.00 1.27 H new ATOM 0 HZ PHE A2094 -4.488 1.791 -0.483 1.00 0.55 H new ATOM 609 N THR A2095 1.616 0.421 5.388 1.00 0.37 N ATOM 610 CA THR A2095 2.647 0.593 6.397 1.00 0.39 C ATOM 611 C THR A2095 4.046 0.300 5.859 1.00 0.37 C ATOM 612 O THR A2095 4.453 -0.857 5.744 1.00 0.37 O ATOM 613 CB THR A2095 2.379 -0.309 7.617 1.00 0.47 C ATOM 614 OG1 THR A2095 1.061 -0.065 8.124 1.00 0.58 O ATOM 615 CG2 THR A2095 3.402 -0.057 8.717 1.00 0.58 C ATOM 0 H THR A2095 1.529 -0.526 5.020 1.00 0.37 H new ATOM 0 HA THR A2095 2.609 1.641 6.695 1.00 0.39 H new ATOM 0 HB THR A2095 2.463 -1.348 7.297 1.00 0.47 H new ATOM 0 HG1 THR A2095 0.896 -0.643 8.898 1.00 0.58 H new ATOM 0 HG21 THR A2095 3.190 -0.706 9.567 1.00 0.58 H new ATOM 0 HG22 THR A2095 4.402 -0.269 8.339 1.00 0.58 H new ATOM 0 HG23 THR A2095 3.347 0.985 9.034 1.00 0.58 H new ATOM 623 N PRO A2096 4.791 1.352 5.503 1.00 0.50 N ATOM 624 CA PRO A2096 6.216 1.249 5.245 1.00 0.61 C ATOM 625 C PRO A2096 7.000 1.393 6.547 1.00 0.69 C ATOM 626 O PRO A2096 6.604 2.156 7.432 1.00 0.81 O ATOM 627 CB PRO A2096 6.479 2.427 4.310 1.00 0.88 C ATOM 628 CG PRO A2096 5.470 3.460 4.696 1.00 0.98 C ATOM 629 CD PRO A2096 4.296 2.728 5.304 1.00 0.69 C ATOM 0 HA PRO A2096 6.518 0.293 4.818 1.00 0.61 H new ATOM 0 HB2 PRO A2096 7.495 2.804 4.427 1.00 0.88 H new ATOM 0 HB3 PRO A2096 6.366 2.135 3.266 1.00 0.88 H new ATOM 0 HG2 PRO A2096 5.895 4.166 5.409 1.00 0.98 H new ATOM 0 HG3 PRO A2096 5.156 4.036 3.826 1.00 0.98 H new ATOM 0 HD2 PRO A2096 3.989 3.181 6.247 1.00 0.69 H new ATOM 0 HD3 PRO A2096 3.429 2.748 4.644 1.00 0.69 H new ATOM 637 N ASP A2097 8.085 0.646 6.682 1.00 0.89 N ATOM 638 CA ASP A2097 8.880 0.681 7.905 1.00 1.14 C ATOM 639 C ASP A2097 9.436 2.077 8.139 1.00 1.37 C ATOM 640 O ASP A2097 9.953 2.716 7.220 1.00 1.39 O ATOM 641 CB ASP A2097 10.018 -0.335 7.849 1.00 1.24 C ATOM 642 CG ASP A2097 10.691 -0.508 9.194 1.00 2.06 C ATOM 643 OD1 ASP A2097 11.700 0.181 9.458 1.00 2.61 O ATOM 644 OD2 ASP A2097 10.204 -1.330 10.001 1.00 2.72 O ATOM 0 H ASP A2097 8.436 0.011 5.965 1.00 0.89 H new ATOM 0 HA ASP A2097 8.227 0.417 8.737 1.00 1.14 H new ATOM 0 HB2 ASP A2097 9.630 -1.296 7.512 1.00 1.24 H new ATOM 0 HB3 ASP A2097 10.755 -0.013 7.113 1.00 1.24 H new ATOM 649 N LYS A2098 9.331 2.535 9.377 1.00 1.89 N ATOM 650 CA LYS A2098 9.663 3.909 9.731 1.00 2.37 C ATOM 651 C LYS A2098 11.166 4.156 9.703 1.00 2.32 C ATOM 652 O LYS A2098 11.608 5.303 9.711 1.00 2.66 O ATOM 653 CB LYS A2098 9.109 4.236 11.119 1.00 3.03 C ATOM 654 CG LYS A2098 7.607 4.025 11.238 1.00 3.48 C ATOM 655 CD LYS A2098 7.115 4.292 12.651 1.00 4.03 C ATOM 656 CE LYS A2098 5.628 4.000 12.791 1.00 4.43 C ATOM 657 NZ LYS A2098 5.312 2.571 12.522 1.00 4.81 N ATOM 0 H LYS A2098 9.014 1.968 10.163 1.00 1.89 H new ATOM 0 HA LYS A2098 9.206 4.562 8.987 1.00 2.37 H new ATOM 0 HB2 LYS A2098 9.615 3.616 11.859 1.00 3.03 H new ATOM 0 HB3 LYS A2098 9.342 5.273 11.360 1.00 3.03 H new ATOM 0 HG2 LYS A2098 7.090 4.685 10.541 1.00 3.48 H new ATOM 0 HG3 LYS A2098 7.359 3.003 10.953 1.00 3.48 H new ATOM 0 HD2 LYS A2098 7.675 3.676 13.354 1.00 4.03 H new ATOM 0 HD3 LYS A2098 7.308 5.332 12.914 1.00 4.03 H new ATOM 0 HE2 LYS A2098 5.301 4.260 13.798 1.00 4.43 H new ATOM 0 HE3 LYS A2098 5.068 4.631 12.101 1.00 4.43 H new ATOM 0 HZ1 LYS A2098 4.362 2.352 12.883 1.00 4.81 H new ATOM 0 HZ2 LYS A2098 5.342 2.396 11.497 1.00 4.81 H new ATOM 0 HZ3 LYS A2098 6.011 1.965 12.997 1.00 4.81 H new ATOM 671 N GLN A2099 11.953 3.089 9.663 1.00 2.03 N ATOM 672 CA GLN A2099 13.395 3.222 9.676 1.00 2.09 C ATOM 673 C GLN A2099 13.984 2.608 8.420 1.00 1.67 C ATOM 674 O GLN A2099 15.148 2.211 8.402 1.00 1.81 O ATOM 675 CB GLN A2099 13.993 2.556 10.917 1.00 2.41 C ATOM 676 CG GLN A2099 13.523 3.167 12.227 1.00 2.99 C ATOM 677 CD GLN A2099 14.211 2.565 13.435 1.00 3.86 C ATOM 678 OE1 GLN A2099 14.613 1.400 13.426 1.00 4.40 O ATOM 679 NE2 GLN A2099 14.345 3.353 14.490 1.00 4.42 N ATOM 0 H GLN A2099 11.615 2.128 9.622 1.00 2.03 H new ATOM 0 HA GLN A2099 13.642 4.283 9.705 1.00 2.09 H new ATOM 0 HB2 GLN A2099 13.737 1.497 10.908 1.00 2.41 H new ATOM 0 HB3 GLN A2099 15.080 2.622 10.865 1.00 2.41 H new ATOM 0 HG2 GLN A2099 13.706 4.241 12.208 1.00 2.99 H new ATOM 0 HG3 GLN A2099 12.446 3.029 12.321 1.00 2.99 H new ATOM 0 HE21 GLN A2099 13.999 4.312 14.458 1.00 4.42 H new ATOM 0 HE22 GLN A2099 14.795 3.001 15.335 1.00 4.42 H new ATOM 688 N PHE A2100 13.175 2.518 7.372 1.00 1.40 N ATOM 689 CA PHE A2100 13.644 1.957 6.122 1.00 1.20 C ATOM 690 C PHE A2100 14.588 2.924 5.432 1.00 1.31 C ATOM 691 O PHE A2100 14.252 4.087 5.200 1.00 1.72 O ATOM 692 CB PHE A2100 12.490 1.599 5.185 1.00 1.32 C ATOM 693 CG PHE A2100 12.951 0.864 3.954 1.00 1.46 C ATOM 694 CD1 PHE A2100 13.190 1.540 2.771 1.00 1.93 C ATOM 695 CD2 PHE A2100 13.167 -0.502 3.991 1.00 2.04 C ATOM 696 CE1 PHE A2100 13.633 0.865 1.650 1.00 2.23 C ATOM 697 CE2 PHE A2100 13.606 -1.182 2.871 1.00 2.36 C ATOM 698 CZ PHE A2100 13.839 -0.496 1.700 1.00 2.18 C ATOM 0 H PHE A2100 12.202 2.824 7.366 1.00 1.40 H new ATOM 0 HA PHE A2100 14.176 1.036 6.360 1.00 1.20 H new ATOM 0 HB2 PHE A2100 11.768 0.984 5.722 1.00 1.32 H new ATOM 0 HB3 PHE A2100 11.972 2.511 4.887 1.00 1.32 H new ATOM 0 HD1 PHE A2100 13.029 2.607 2.723 1.00 1.93 H new ATOM 0 HD2 PHE A2100 12.990 -1.044 4.908 1.00 2.04 H new ATOM 0 HE1 PHE A2100 13.818 1.405 0.733 1.00 2.23 H new ATOM 0 HE2 PHE A2100 13.766 -2.249 2.914 1.00 2.36 H new ATOM 0 HZ PHE A2100 14.183 -1.024 0.823 1.00 2.18 H new ATOM 708 N VAL A2101 15.771 2.434 5.131 1.00 1.55 N ATOM 709 CA VAL A2101 16.769 3.207 4.422 1.00 1.92 C ATOM 710 C VAL A2101 16.404 3.321 2.937 1.00 2.31 C ATOM 711 O VAL A2101 16.604 2.391 2.154 1.00 2.68 O ATOM 712 CB VAL A2101 18.169 2.573 4.610 1.00 2.35 C ATOM 713 CG1 VAL A2101 18.116 1.073 4.369 1.00 2.67 C ATOM 714 CG2 VAL A2101 19.200 3.225 3.702 1.00 2.45 C ATOM 0 H VAL A2101 16.069 1.488 5.371 1.00 1.55 H new ATOM 0 HA VAL A2101 16.796 4.215 4.836 1.00 1.92 H new ATOM 0 HB VAL A2101 18.476 2.748 5.641 1.00 2.35 H new ATOM 0 HG11 VAL A2101 19.110 0.647 4.506 1.00 2.67 H new ATOM 0 HG12 VAL A2101 17.424 0.615 5.076 1.00 2.67 H new ATOM 0 HG13 VAL A2101 17.776 0.880 3.352 1.00 2.67 H new ATOM 0 HG21 VAL A2101 20.171 2.756 3.859 1.00 2.45 H new ATOM 0 HG22 VAL A2101 18.900 3.099 2.662 1.00 2.45 H new ATOM 0 HG23 VAL A2101 19.268 4.288 3.933 1.00 2.45 H new ATOM 724 N GLY A2102 15.833 4.459 2.569 1.00 2.55 N ATOM 725 CA GLY A2102 15.425 4.680 1.196 1.00 3.15 C ATOM 726 C GLY A2102 13.930 4.517 1.014 1.00 3.22 C ATOM 727 O GLY A2102 13.150 4.817 1.922 1.00 3.84 O ATOM 0 H GLY A2102 15.644 5.237 3.201 1.00 2.55 H new ATOM 0 HA2 GLY A2102 15.720 5.683 0.887 1.00 3.15 H new ATOM 0 HA3 GLY A2102 15.948 3.979 0.545 1.00 3.15 H new ATOM 731 N LYS A2103 13.528 4.052 -0.156 1.00 2.91 N ATOM 732 CA LYS A2103 12.123 3.807 -0.448 1.00 3.06 C ATOM 733 C LYS A2103 11.847 2.314 -0.574 1.00 2.39 C ATOM 734 O LYS A2103 12.606 1.588 -1.217 1.00 2.33 O ATOM 735 CB LYS A2103 11.707 4.531 -1.728 1.00 3.80 C ATOM 736 CG LYS A2103 11.368 5.994 -1.509 1.00 4.59 C ATOM 737 CD LYS A2103 10.963 6.681 -2.802 1.00 5.33 C ATOM 738 CE LYS A2103 10.503 8.108 -2.552 1.00 6.21 C ATOM 739 NZ LYS A2103 11.523 8.907 -1.821 1.00 6.78 N ATOM 0 H LYS A2103 14.160 3.834 -0.927 1.00 2.91 H new ATOM 0 HA LYS A2103 11.533 4.197 0.382 1.00 3.06 H new ATOM 0 HB2 LYS A2103 12.514 4.458 -2.457 1.00 3.80 H new ATOM 0 HB3 LYS A2103 10.842 4.026 -2.158 1.00 3.80 H new ATOM 0 HG2 LYS A2103 10.557 6.074 -0.786 1.00 4.59 H new ATOM 0 HG3 LYS A2103 12.229 6.506 -1.080 1.00 4.59 H new ATOM 0 HD2 LYS A2103 11.806 6.685 -3.493 1.00 5.33 H new ATOM 0 HD3 LYS A2103 10.162 6.117 -3.280 1.00 5.33 H new ATOM 0 HE2 LYS A2103 10.282 8.589 -3.505 1.00 6.21 H new ATOM 0 HE3 LYS A2103 9.576 8.094 -1.979 1.00 6.21 H new ATOM 0 HZ1 LYS A2103 11.548 9.873 -2.205 1.00 6.78 H new ATOM 0 HZ2 LYS A2103 11.278 8.942 -0.811 1.00 6.78 H new ATOM 0 HZ3 LYS A2103 12.457 8.465 -1.936 1.00 6.78 H new ATOM 753 N PRO A2104 10.757 1.851 0.066 1.00 2.06 N ATOM 754 CA PRO A2104 10.315 0.445 0.048 1.00 1.50 C ATOM 755 C PRO A2104 10.376 -0.210 -1.334 1.00 1.35 C ATOM 756 O PRO A2104 10.219 0.448 -2.366 1.00 1.62 O ATOM 757 CB PRO A2104 8.862 0.563 0.497 1.00 1.62 C ATOM 758 CG PRO A2104 8.869 1.699 1.454 1.00 2.21 C ATOM 759 CD PRO A2104 9.870 2.681 0.912 1.00 2.43 C ATOM 0 HA PRO A2104 10.953 -0.183 0.669 1.00 1.50 H new ATOM 0 HB2 PRO A2104 8.199 0.756 -0.346 1.00 1.62 H new ATOM 0 HB3 PRO A2104 8.516 -0.355 0.971 1.00 1.62 H new ATOM 0 HG2 PRO A2104 7.880 2.151 1.533 1.00 2.21 H new ATOM 0 HG3 PRO A2104 9.148 1.367 2.454 1.00 2.21 H new ATOM 0 HD2 PRO A2104 9.386 3.467 0.333 1.00 2.43 H new ATOM 0 HD3 PRO A2104 10.424 3.170 1.713 1.00 2.43 H new ATOM 767 N ASP A2105 10.616 -1.521 -1.325 1.00 1.04 N ATOM 768 CA ASP A2105 10.671 -2.327 -2.543 1.00 0.98 C ATOM 769 C ASP A2105 9.383 -2.219 -3.356 1.00 0.79 C ATOM 770 O ASP A2105 8.314 -1.951 -2.805 1.00 0.78 O ATOM 771 CB ASP A2105 10.938 -3.790 -2.189 1.00 1.06 C ATOM 772 CG ASP A2105 12.414 -4.112 -2.102 1.00 1.66 C ATOM 773 OD1 ASP A2105 13.020 -4.410 -3.152 1.00 2.16 O ATOM 774 OD2 ASP A2105 12.974 -4.083 -0.988 1.00 2.33 O ATOM 0 H ASP A2105 10.778 -2.054 -0.471 1.00 1.04 H new ATOM 0 HA ASP A2105 11.485 -1.941 -3.157 1.00 0.98 H new ATOM 0 HB2 ASP A2105 10.464 -4.021 -1.235 1.00 1.06 H new ATOM 0 HB3 ASP A2105 10.474 -4.431 -2.939 1.00 1.06 H new ATOM 779 N PRO A2106 9.492 -2.439 -4.682 1.00 0.77 N ATOM 780 CA PRO A2106 8.390 -2.269 -5.643 1.00 0.73 C ATOM 781 C PRO A2106 7.114 -3.027 -5.287 1.00 0.61 C ATOM 782 O PRO A2106 7.074 -4.261 -5.297 1.00 0.74 O ATOM 783 CB PRO A2106 8.962 -2.812 -6.961 1.00 0.87 C ATOM 784 CG PRO A2106 10.191 -3.561 -6.582 1.00 1.03 C ATOM 785 CD PRO A2106 10.720 -2.874 -5.364 1.00 0.93 C ATOM 0 HA PRO A2106 8.082 -1.224 -5.673 1.00 0.73 H new ATOM 0 HB2 PRO A2106 8.245 -3.462 -7.462 1.00 0.87 H new ATOM 0 HB3 PRO A2106 9.194 -2.001 -7.652 1.00 0.87 H new ATOM 0 HG2 PRO A2106 9.965 -4.607 -6.375 1.00 1.03 H new ATOM 0 HG3 PRO A2106 10.923 -3.547 -7.389 1.00 1.03 H new ATOM 0 HD2 PRO A2106 11.311 -3.547 -4.744 1.00 0.93 H new ATOM 0 HD3 PRO A2106 11.362 -2.031 -5.621 1.00 0.93 H new ATOM 793 N VAL A2107 6.076 -2.265 -4.977 1.00 0.48 N ATOM 794 CA VAL A2107 4.742 -2.802 -4.777 1.00 0.37 C ATOM 795 C VAL A2107 3.711 -1.686 -4.911 1.00 0.35 C ATOM 796 O VAL A2107 3.759 -0.690 -4.188 1.00 0.60 O ATOM 797 CB VAL A2107 4.583 -3.511 -3.407 1.00 0.41 C ATOM 798 CG1 VAL A2107 5.009 -2.608 -2.260 1.00 0.54 C ATOM 799 CG2 VAL A2107 3.147 -3.981 -3.212 1.00 0.46 C ATOM 0 H VAL A2107 6.137 -1.254 -4.857 1.00 0.48 H new ATOM 0 HA VAL A2107 4.578 -3.556 -5.547 1.00 0.37 H new ATOM 0 HB VAL A2107 5.239 -4.381 -3.406 1.00 0.41 H new ATOM 0 HG11 VAL A2107 4.884 -3.137 -1.315 1.00 0.54 H new ATOM 0 HG12 VAL A2107 6.056 -2.330 -2.385 1.00 0.54 H new ATOM 0 HG13 VAL A2107 4.393 -1.709 -2.257 1.00 0.54 H new ATOM 0 HG21 VAL A2107 3.054 -4.476 -2.245 1.00 0.46 H new ATOM 0 HG22 VAL A2107 2.476 -3.123 -3.246 1.00 0.46 H new ATOM 0 HG23 VAL A2107 2.882 -4.681 -4.005 1.00 0.46 H new ATOM 809 N THR A2108 2.806 -1.829 -5.862 1.00 0.32 N ATOM 810 CA THR A2108 1.751 -0.853 -6.031 1.00 0.30 C ATOM 811 C THR A2108 0.493 -1.311 -5.311 1.00 0.30 C ATOM 812 O THR A2108 -0.071 -2.363 -5.610 1.00 0.33 O ATOM 813 CB THR A2108 1.444 -0.585 -7.516 1.00 0.33 C ATOM 814 OG1 THR A2108 2.643 -0.170 -8.183 1.00 0.37 O ATOM 815 CG2 THR A2108 0.372 0.492 -7.667 1.00 0.35 C ATOM 0 H THR A2108 2.782 -2.606 -6.523 1.00 0.32 H new ATOM 0 HA THR A2108 2.099 0.083 -5.594 1.00 0.30 H new ATOM 0 HB THR A2108 1.070 -1.505 -7.965 1.00 0.33 H new ATOM 0 HG1 THR A2108 2.449 -0.001 -9.129 1.00 0.37 H new ATOM 0 HG21 THR A2108 0.174 0.662 -8.725 1.00 0.35 H new ATOM 0 HG22 THR A2108 -0.544 0.165 -7.174 1.00 0.35 H new ATOM 0 HG23 THR A2108 0.720 1.418 -7.209 1.00 0.35 H new ATOM 823 N VAL A2109 0.079 -0.519 -4.345 1.00 0.38 N ATOM 824 CA VAL A2109 -1.089 -0.822 -3.541 1.00 0.46 C ATOM 825 C VAL A2109 -2.315 -0.179 -4.184 1.00 0.52 C ATOM 826 O VAL A2109 -2.237 0.959 -4.619 1.00 0.61 O ATOM 827 CB VAL A2109 -0.892 -0.277 -2.114 1.00 0.60 C ATOM 828 CG1 VAL A2109 -1.922 -0.862 -1.166 1.00 0.76 C ATOM 829 CG2 VAL A2109 0.530 -0.555 -1.626 1.00 0.61 C ATOM 0 H VAL A2109 0.542 0.354 -4.094 1.00 0.38 H new ATOM 0 HA VAL A2109 -1.232 -1.901 -3.487 1.00 0.46 H new ATOM 0 HB VAL A2109 -1.037 0.803 -2.135 1.00 0.60 H new ATOM 0 HG11 VAL A2109 -1.763 -0.463 -0.164 1.00 0.76 H new ATOM 0 HG12 VAL A2109 -2.923 -0.597 -1.508 1.00 0.76 H new ATOM 0 HG13 VAL A2109 -1.821 -1.947 -1.144 1.00 0.76 H new ATOM 0 HG21 VAL A2109 0.651 -0.163 -0.616 1.00 0.61 H new ATOM 0 HG22 VAL A2109 0.710 -1.630 -1.622 1.00 0.61 H new ATOM 0 HG23 VAL A2109 1.244 -0.070 -2.291 1.00 0.61 H new ATOM 839 N LYS A2110 -3.436 -0.897 -4.263 1.00 0.53 N ATOM 840 CA LYS A2110 -4.595 -0.391 -5.001 1.00 0.63 C ATOM 841 C LYS A2110 -5.914 -0.693 -4.284 1.00 0.70 C ATOM 842 O LYS A2110 -6.381 -1.831 -4.263 1.00 0.99 O ATOM 843 CB LYS A2110 -4.617 -1.004 -6.413 1.00 0.67 C ATOM 844 CG LYS A2110 -5.503 -0.268 -7.421 1.00 0.85 C ATOM 845 CD LYS A2110 -6.995 -0.391 -7.118 1.00 1.03 C ATOM 846 CE LYS A2110 -7.598 -1.698 -7.618 1.00 1.11 C ATOM 847 NZ LYS A2110 -7.074 -2.896 -6.904 1.00 1.63 N ATOM 0 H LYS A2110 -3.566 -1.813 -3.834 1.00 0.53 H new ATOM 0 HA LYS A2110 -4.498 0.693 -5.064 1.00 0.63 H new ATOM 0 HB2 LYS A2110 -3.598 -1.030 -6.798 1.00 0.67 H new ATOM 0 HB3 LYS A2110 -4.956 -2.037 -6.340 1.00 0.67 H new ATOM 0 HG2 LYS A2110 -5.228 0.787 -7.434 1.00 0.85 H new ATOM 0 HG3 LYS A2110 -5.309 -0.660 -8.419 1.00 0.85 H new ATOM 0 HD2 LYS A2110 -7.149 -0.314 -6.042 1.00 1.03 H new ATOM 0 HD3 LYS A2110 -7.523 0.445 -7.576 1.00 1.03 H new ATOM 0 HE2 LYS A2110 -8.681 -1.659 -7.502 1.00 1.11 H new ATOM 0 HE3 LYS A2110 -7.395 -1.800 -8.684 1.00 1.11 H new ATOM 0 HZ1 LYS A2110 -7.811 -3.629 -6.869 1.00 1.63 H new ATOM 0 HZ2 LYS A2110 -6.242 -3.264 -7.408 1.00 1.63 H new ATOM 0 HZ3 LYS A2110 -6.803 -2.632 -5.935 1.00 1.63 H new ATOM 861 N ARG A2111 -6.531 0.344 -3.744 1.00 0.52 N ATOM 862 CA ARG A2111 -7.886 0.244 -3.214 1.00 0.54 C ATOM 863 C ARG A2111 -8.633 1.534 -3.534 1.00 0.44 C ATOM 864 O ARG A2111 -8.100 2.625 -3.337 1.00 0.47 O ATOM 865 CB ARG A2111 -7.868 -0.024 -1.704 1.00 0.62 C ATOM 866 CG ARG A2111 -7.169 1.054 -0.904 1.00 0.62 C ATOM 867 CD ARG A2111 -7.013 0.679 0.558 1.00 0.87 C ATOM 868 NE ARG A2111 -8.292 0.591 1.268 1.00 1.86 N ATOM 869 CZ ARG A2111 -8.510 1.130 2.472 1.00 2.47 C ATOM 870 NH1 ARG A2111 -7.557 1.830 3.070 1.00 2.41 N ATOM 871 NH2 ARG A2111 -9.678 0.963 3.081 1.00 3.47 N ATOM 0 H ARG A2111 -6.115 1.271 -3.659 1.00 0.52 H new ATOM 0 HA ARG A2111 -8.398 -0.597 -3.681 1.00 0.54 H new ATOM 0 HB2 ARG A2111 -8.894 -0.120 -1.349 1.00 0.62 H new ATOM 0 HB3 ARG A2111 -7.375 -0.979 -1.519 1.00 0.62 H new ATOM 0 HG2 ARG A2111 -6.186 1.243 -1.335 1.00 0.62 H new ATOM 0 HG3 ARG A2111 -7.734 1.983 -0.980 1.00 0.62 H new ATOM 0 HD2 ARG A2111 -6.498 -0.279 0.628 1.00 0.87 H new ATOM 0 HD3 ARG A2111 -6.381 1.417 1.051 1.00 0.87 H new ATOM 0 HE ARG A2111 -9.059 0.091 0.819 1.00 1.86 H new ATOM 0 HH11 ARG A2111 -6.655 1.959 2.612 1.00 2.41 H new ATOM 0 HH12 ARG A2111 -7.726 2.240 3.988 1.00 2.41 H new ATOM 0 HH21 ARG A2111 -10.415 0.421 2.630 1.00 3.47 H new ATOM 0 HH22 ARG A2111 -9.838 1.377 3.999 1.00 3.47 H new ATOM 885 N VAL A2112 -9.847 1.417 -4.045 1.00 0.35 N ATOM 886 CA VAL A2112 -10.581 2.599 -4.499 1.00 0.28 C ATOM 887 C VAL A2112 -11.589 3.072 -3.456 1.00 0.25 C ATOM 888 O VAL A2112 -12.059 2.293 -2.631 1.00 0.29 O ATOM 889 CB VAL A2112 -11.303 2.346 -5.842 1.00 0.31 C ATOM 890 CG1 VAL A2112 -10.303 1.976 -6.924 1.00 0.40 C ATOM 891 CG2 VAL A2112 -12.363 1.267 -5.705 1.00 0.32 C ATOM 0 H VAL A2112 -10.344 0.533 -4.157 1.00 0.35 H new ATOM 0 HA VAL A2112 -9.838 3.383 -4.647 1.00 0.28 H new ATOM 0 HB VAL A2112 -11.803 3.270 -6.131 1.00 0.31 H new ATOM 0 HG11 VAL A2112 -10.830 1.802 -7.862 1.00 0.40 H new ATOM 0 HG12 VAL A2112 -9.590 2.790 -7.054 1.00 0.40 H new ATOM 0 HG13 VAL A2112 -9.771 1.070 -6.633 1.00 0.40 H new ATOM 0 HG21 VAL A2112 -12.852 1.113 -6.667 1.00 0.32 H new ATOM 0 HG22 VAL A2112 -11.896 0.337 -5.383 1.00 0.32 H new ATOM 0 HG23 VAL A2112 -13.103 1.576 -4.967 1.00 0.32 H new ATOM 901 N ASP A2113 -11.887 4.367 -3.480 1.00 0.26 N ATOM 902 CA ASP A2113 -12.864 4.940 -2.566 1.00 0.31 C ATOM 903 C ASP A2113 -14.247 4.946 -3.211 1.00 0.33 C ATOM 904 O ASP A2113 -14.435 4.361 -4.279 1.00 0.34 O ATOM 905 CB ASP A2113 -12.466 6.368 -2.161 1.00 0.40 C ATOM 906 CG ASP A2113 -12.868 7.409 -3.189 1.00 0.55 C ATOM 907 OD1 ASP A2113 -12.225 7.494 -4.246 1.00 0.85 O ATOM 908 OD2 ASP A2113 -13.842 8.143 -2.943 1.00 1.46 O ATOM 0 H ASP A2113 -11.465 5.038 -4.123 1.00 0.26 H new ATOM 0 HA ASP A2113 -12.891 4.324 -1.667 1.00 0.31 H new ATOM 0 HB2 ASP A2113 -12.930 6.611 -1.205 1.00 0.40 H new ATOM 0 HB3 ASP A2113 -11.387 6.410 -2.012 1.00 0.40 H new ATOM 913 N LYS A2114 -15.205 5.609 -2.578 1.00 0.40 N ATOM 914 CA LYS A2114 -16.564 5.670 -3.102 1.00 0.46 C ATOM 915 C LYS A2114 -16.611 6.417 -4.435 1.00 0.52 C ATOM 916 O LYS A2114 -17.389 6.066 -5.323 1.00 0.65 O ATOM 917 CB LYS A2114 -17.496 6.319 -2.078 1.00 0.55 C ATOM 918 CG LYS A2114 -17.678 5.472 -0.831 1.00 0.58 C ATOM 919 CD LYS A2114 -18.596 6.133 0.181 1.00 0.69 C ATOM 920 CE LYS A2114 -18.872 5.211 1.359 1.00 0.83 C ATOM 921 NZ LYS A2114 -19.577 3.967 0.944 1.00 1.72 N ATOM 0 H LYS A2114 -15.067 6.112 -1.701 1.00 0.40 H new ATOM 0 HA LYS A2114 -16.905 4.651 -3.286 1.00 0.46 H new ATOM 0 HB2 LYS A2114 -17.097 7.293 -1.795 1.00 0.55 H new ATOM 0 HB3 LYS A2114 -18.468 6.495 -2.538 1.00 0.55 H new ATOM 0 HG2 LYS A2114 -18.087 4.501 -1.110 1.00 0.58 H new ATOM 0 HG3 LYS A2114 -16.706 5.289 -0.373 1.00 0.58 H new ATOM 0 HD2 LYS A2114 -18.142 7.057 0.538 1.00 0.69 H new ATOM 0 HD3 LYS A2114 -19.536 6.404 -0.300 1.00 0.69 H new ATOM 0 HE2 LYS A2114 -17.931 4.950 1.842 1.00 0.83 H new ATOM 0 HE3 LYS A2114 -19.474 5.739 2.099 1.00 0.83 H new ATOM 0 HZ1 LYS A2114 -19.910 3.458 1.788 1.00 1.72 H new ATOM 0 HZ2 LYS A2114 -20.391 4.213 0.345 1.00 1.72 H new ATOM 0 HZ3 LYS A2114 -18.924 3.360 0.409 1.00 1.72 H new ATOM 935 N ASN A2115 -15.755 7.425 -4.586 1.00 0.52 N ATOM 936 CA ASN A2115 -15.650 8.151 -5.850 1.00 0.60 C ATOM 937 C ASN A2115 -15.027 7.271 -6.921 1.00 0.54 C ATOM 938 O ASN A2115 -15.320 7.415 -8.108 1.00 0.70 O ATOM 939 CB ASN A2115 -14.800 9.412 -5.695 1.00 0.72 C ATOM 940 CG ASN A2115 -15.485 10.492 -4.890 1.00 0.99 C ATOM 941 OD1 ASN A2115 -16.170 11.355 -5.443 1.00 1.84 O ATOM 942 ND2 ASN A2115 -15.301 10.458 -3.584 1.00 1.11 N ATOM 0 H ASN A2115 -15.127 7.757 -3.854 1.00 0.52 H new ATOM 0 HA ASN A2115 -16.660 8.434 -6.146 1.00 0.60 H new ATOM 0 HB2 ASN A2115 -13.857 9.151 -5.214 1.00 0.72 H new ATOM 0 HB3 ASN A2115 -14.556 9.803 -6.683 1.00 0.72 H new ATOM 0 HD21 ASN A2115 -15.734 11.165 -2.989 1.00 1.11 H new ATOM 0 HD22 ASN A2115 -14.726 9.725 -3.169 1.00 1.11 H new ATOM 949 N GLY A2116 -14.167 6.360 -6.491 1.00 0.38 N ATOM 950 CA GLY A2116 -13.492 5.477 -7.418 1.00 0.39 C ATOM 951 C GLY A2116 -12.017 5.795 -7.531 1.00 0.38 C ATOM 952 O GLY A2116 -11.314 5.231 -8.369 1.00 0.44 O ATOM 0 H GLY A2116 -13.924 6.216 -5.511 1.00 0.38 H new ATOM 0 HA2 GLY A2116 -13.616 4.445 -7.091 1.00 0.39 H new ATOM 0 HA3 GLY A2116 -13.957 5.559 -8.400 1.00 0.39 H new ATOM 956 N THR A2117 -11.552 6.696 -6.679 1.00 0.36 N ATOM 957 CA THR A2117 -10.155 7.080 -6.651 1.00 0.38 C ATOM 958 C THR A2117 -9.348 6.066 -5.849 1.00 0.33 C ATOM 959 O THR A2117 -9.609 5.850 -4.665 1.00 0.33 O ATOM 960 CB THR A2117 -9.979 8.477 -6.027 1.00 0.44 C ATOM 961 OG1 THR A2117 -10.741 9.444 -6.770 1.00 0.57 O ATOM 962 CG2 THR A2117 -8.513 8.885 -6.000 1.00 0.54 C ATOM 0 H THR A2117 -12.132 7.178 -5.992 1.00 0.36 H new ATOM 0 HA THR A2117 -9.794 7.106 -7.679 1.00 0.38 H new ATOM 0 HB THR A2117 -10.341 8.439 -5.000 1.00 0.44 H new ATOM 0 HG1 THR A2117 -10.626 10.330 -6.367 1.00 0.57 H new ATOM 0 HG21 THR A2117 -8.419 9.875 -5.554 1.00 0.54 H new ATOM 0 HG22 THR A2117 -7.946 8.166 -5.409 1.00 0.54 H new ATOM 0 HG23 THR A2117 -8.123 8.907 -7.017 1.00 0.54 H new ATOM 970 N PRO A2118 -8.378 5.403 -6.483 1.00 0.38 N ATOM 971 CA PRO A2118 -7.532 4.436 -5.807 1.00 0.40 C ATOM 972 C PRO A2118 -6.433 5.102 -4.987 1.00 0.35 C ATOM 973 O PRO A2118 -5.576 5.799 -5.533 1.00 0.39 O ATOM 974 CB PRO A2118 -6.919 3.610 -6.951 1.00 0.53 C ATOM 975 CG PRO A2118 -7.474 4.167 -8.226 1.00 0.61 C ATOM 976 CD PRO A2118 -8.032 5.523 -7.904 1.00 0.51 C ATOM 0 HA PRO A2118 -8.100 3.836 -5.096 1.00 0.40 H new ATOM 0 HB2 PRO A2118 -5.831 3.679 -6.939 1.00 0.53 H new ATOM 0 HB3 PRO A2118 -7.173 2.555 -6.846 1.00 0.53 H new ATOM 0 HG2 PRO A2118 -6.696 4.240 -8.986 1.00 0.61 H new ATOM 0 HG3 PRO A2118 -8.250 3.515 -8.626 1.00 0.61 H new ATOM 0 HD2 PRO A2118 -7.301 6.313 -8.077 1.00 0.51 H new ATOM 0 HD3 PRO A2118 -8.904 5.757 -8.514 1.00 0.51 H new ATOM 984 N VAL A2119 -6.469 4.910 -3.672 1.00 0.33 N ATOM 985 CA VAL A2119 -5.341 5.284 -2.836 1.00 0.33 C ATOM 986 C VAL A2119 -4.248 4.257 -3.043 1.00 0.36 C ATOM 987 O VAL A2119 -4.375 3.090 -2.665 1.00 0.39 O ATOM 988 CB VAL A2119 -5.709 5.424 -1.337 1.00 0.39 C ATOM 989 CG1 VAL A2119 -6.507 6.696 -1.109 1.00 0.52 C ATOM 990 CG2 VAL A2119 -6.497 4.229 -0.842 1.00 0.60 C ATOM 0 H VAL A2119 -7.258 4.503 -3.170 1.00 0.33 H new ATOM 0 HA VAL A2119 -4.999 6.275 -3.135 1.00 0.33 H new ATOM 0 HB VAL A2119 -4.778 5.472 -0.772 1.00 0.39 H new ATOM 0 HG11 VAL A2119 -6.759 6.783 -0.052 1.00 0.52 H new ATOM 0 HG12 VAL A2119 -5.912 7.558 -1.412 1.00 0.52 H new ATOM 0 HG13 VAL A2119 -7.423 6.662 -1.699 1.00 0.52 H new ATOM 0 HG21 VAL A2119 -6.737 4.363 0.213 1.00 0.60 H new ATOM 0 HG22 VAL A2119 -7.420 4.139 -1.415 1.00 0.60 H new ATOM 0 HG23 VAL A2119 -5.902 3.324 -0.967 1.00 0.60 H new ATOM 1000 N THR A2120 -3.204 4.694 -3.714 1.00 0.39 N ATOM 1001 CA THR A2120 -2.165 3.804 -4.171 1.00 0.44 C ATOM 1002 C THR A2120 -0.815 4.231 -3.643 1.00 0.53 C ATOM 1003 O THR A2120 -0.658 5.323 -3.088 1.00 0.67 O ATOM 1004 CB THR A2120 -2.102 3.780 -5.717 1.00 0.52 C ATOM 1005 OG1 THR A2120 -1.886 5.109 -6.216 1.00 0.61 O ATOM 1006 CG2 THR A2120 -3.385 3.222 -6.309 1.00 0.55 C ATOM 0 H THR A2120 -3.054 5.673 -3.956 1.00 0.39 H new ATOM 0 HA THR A2120 -2.406 2.809 -3.796 1.00 0.44 H new ATOM 0 HB THR A2120 -1.275 3.134 -6.012 1.00 0.52 H new ATOM 0 HG1 THR A2120 -1.845 5.088 -7.195 1.00 0.61 H new ATOM 0 HG21 THR A2120 -3.312 3.217 -7.397 1.00 0.55 H new ATOM 0 HG22 THR A2120 -3.538 2.204 -5.951 1.00 0.55 H new ATOM 0 HG23 THR A2120 -4.227 3.844 -6.005 1.00 0.55 H new ATOM 1014 N ALA A2121 0.150 3.356 -3.808 1.00 0.53 N ATOM 1015 CA ALA A2121 1.530 3.703 -3.589 1.00 0.65 C ATOM 1016 C ALA A2121 2.319 3.278 -4.805 1.00 0.73 C ATOM 1017 O ALA A2121 2.242 2.124 -5.226 1.00 0.69 O ATOM 1018 CB ALA A2121 2.064 3.033 -2.331 1.00 0.70 C ATOM 0 H ALA A2121 -0.001 2.389 -4.096 1.00 0.53 H new ATOM 0 HA ALA A2121 1.625 4.779 -3.443 1.00 0.65 H new ATOM 0 HB1 ALA A2121 3.108 3.310 -2.186 1.00 0.70 H new ATOM 0 HB2 ALA A2121 1.480 3.358 -1.470 1.00 0.70 H new ATOM 0 HB3 ALA A2121 1.987 1.951 -2.434 1.00 0.70 H new ATOM 1024 N THR A2122 3.059 4.203 -5.376 1.00 0.98 N ATOM 1025 CA THR A2122 3.842 3.908 -6.553 1.00 1.15 C ATOM 1026 C THR A2122 5.251 3.545 -6.134 1.00 0.99 C ATOM 1027 O THR A2122 6.071 4.415 -5.845 1.00 1.22 O ATOM 1028 CB THR A2122 3.861 5.111 -7.515 1.00 1.63 C ATOM 1029 OG1 THR A2122 2.514 5.512 -7.809 1.00 2.19 O ATOM 1030 CG2 THR A2122 4.585 4.767 -8.809 1.00 2.08 C ATOM 0 H THR A2122 3.134 5.164 -5.044 1.00 0.98 H new ATOM 0 HA THR A2122 3.390 3.067 -7.080 1.00 1.15 H new ATOM 0 HB THR A2122 4.395 5.929 -7.031 1.00 1.63 H new ATOM 0 HG1 THR A2122 2.527 6.278 -8.420 1.00 2.19 H new ATOM 0 HG21 THR A2122 4.583 5.635 -9.469 1.00 2.08 H new ATOM 0 HG22 THR A2122 5.614 4.483 -8.586 1.00 2.08 H new ATOM 0 HG23 THR A2122 4.078 3.937 -9.300 1.00 2.08 H new ATOM 1038 N TYR A2123 5.520 2.257 -6.072 1.00 0.85 N ATOM 1039 CA TYR A2123 6.805 1.793 -5.609 1.00 0.77 C ATOM 1040 C TYR A2123 7.517 0.969 -6.660 1.00 0.94 C ATOM 1041 O TYR A2123 6.992 -0.024 -7.166 1.00 1.20 O ATOM 1042 CB TYR A2123 6.663 1.039 -4.287 1.00 0.83 C ATOM 1043 CG TYR A2123 6.802 1.972 -3.114 1.00 1.21 C ATOM 1044 CD1 TYR A2123 5.816 2.074 -2.145 1.00 1.93 C ATOM 1045 CD2 TYR A2123 7.923 2.780 -3.002 1.00 1.82 C ATOM 1046 CE1 TYR A2123 5.948 2.957 -1.090 1.00 2.36 C ATOM 1047 CE2 TYR A2123 8.066 3.660 -1.956 1.00 2.26 C ATOM 1048 CZ TYR A2123 7.076 3.749 -1.001 1.00 2.25 C ATOM 1049 OH TYR A2123 7.213 4.634 0.048 1.00 2.81 O ATOM 0 H TYR A2123 4.868 1.519 -6.336 1.00 0.85 H new ATOM 0 HA TYR A2123 7.431 2.666 -5.425 1.00 0.77 H new ATOM 0 HB2 TYR A2123 5.692 0.544 -4.249 1.00 0.83 H new ATOM 0 HB3 TYR A2123 7.421 0.258 -4.227 1.00 0.83 H new ATOM 0 HD1 TYR A2123 4.933 1.456 -2.215 1.00 1.93 H new ATOM 0 HD2 TYR A2123 8.699 2.717 -3.751 1.00 1.82 H new ATOM 0 HE1 TYR A2123 5.174 3.027 -0.340 1.00 2.36 H new ATOM 0 HE2 TYR A2123 8.949 4.278 -1.883 1.00 2.26 H new ATOM 0 HH TYR A2123 6.747 4.283 0.835 1.00 2.81 H new ATOM 1059 N SER A2124 8.721 1.412 -6.980 1.00 1.07 N ATOM 1060 CA SER A2124 9.535 0.809 -8.014 1.00 1.29 C ATOM 1061 C SER A2124 10.953 0.617 -7.463 1.00 1.24 C ATOM 1062 O SER A2124 11.289 1.212 -6.436 1.00 1.31 O ATOM 1063 CB SER A2124 9.530 1.741 -9.242 1.00 1.66 C ATOM 1064 OG SER A2124 9.957 1.082 -10.422 1.00 2.06 O ATOM 0 H SER A2124 9.163 2.209 -6.522 1.00 1.07 H new ATOM 0 HA SER A2124 9.145 -0.163 -8.315 1.00 1.29 H new ATOM 0 HB2 SER A2124 8.525 2.134 -9.392 1.00 1.66 H new ATOM 0 HB3 SER A2124 10.181 2.594 -9.050 1.00 1.66 H new ATOM 0 HG SER A2124 9.936 1.711 -11.174 1.00 2.06 H new ATOM 1070 N PRO A2125 11.793 -0.241 -8.086 1.00 1.46 N ATOM 1071 CA PRO A2125 13.192 -0.433 -7.660 1.00 1.71 C ATOM 1072 C PRO A2125 14.072 0.792 -7.937 1.00 1.73 C ATOM 1073 O PRO A2125 15.136 0.693 -8.557 1.00 2.16 O ATOM 1074 CB PRO A2125 13.659 -1.634 -8.485 1.00 2.09 C ATOM 1075 CG PRO A2125 12.784 -1.631 -9.687 1.00 2.09 C ATOM 1076 CD PRO A2125 11.450 -1.118 -9.224 1.00 1.75 C ATOM 0 HA PRO A2125 13.266 -0.587 -6.583 1.00 1.71 H new ATOM 0 HB2 PRO A2125 14.710 -1.541 -8.760 1.00 2.09 H new ATOM 0 HB3 PRO A2125 13.558 -2.563 -7.924 1.00 2.09 H new ATOM 0 HG2 PRO A2125 13.197 -0.994 -10.469 1.00 2.09 H new ATOM 0 HG3 PRO A2125 12.693 -2.633 -10.106 1.00 2.09 H new ATOM 0 HD2 PRO A2125 10.935 -0.569 -10.013 1.00 1.75 H new ATOM 0 HD3 PRO A2125 10.791 -1.931 -8.920 1.00 1.75 H new ATOM 1084 N GLU A2126 13.608 1.939 -7.474 1.00 1.86 N ATOM 1085 CA GLU A2126 14.348 3.182 -7.552 1.00 2.08 C ATOM 1086 C GLU A2126 14.282 3.854 -6.188 1.00 1.98 C ATOM 1087 O GLU A2126 13.309 3.652 -5.454 1.00 2.37 O ATOM 1088 CB GLU A2126 13.757 4.088 -8.640 1.00 2.47 C ATOM 1089 CG GLU A2126 14.498 5.406 -8.823 1.00 3.11 C ATOM 1090 CD GLU A2126 15.966 5.214 -9.146 1.00 3.80 C ATOM 1091 OE1 GLU A2126 16.306 5.065 -10.338 1.00 4.26 O ATOM 1092 OE2 GLU A2126 16.790 5.224 -8.208 1.00 4.33 O ATOM 0 H GLU A2126 12.695 2.033 -7.028 1.00 1.86 H new ATOM 0 HA GLU A2126 15.387 2.989 -7.818 1.00 2.08 H new ATOM 0 HB2 GLU A2126 13.758 3.548 -9.587 1.00 2.47 H new ATOM 0 HB3 GLU A2126 12.716 4.300 -8.395 1.00 2.47 H new ATOM 0 HG2 GLU A2126 14.026 5.975 -9.624 1.00 3.11 H new ATOM 0 HG3 GLU A2126 14.405 5.999 -7.913 1.00 3.11 H new ATOM 1099 N PHE A2127 15.307 4.633 -5.852 1.00 2.04 N ATOM 1100 CA PHE A2127 15.437 5.214 -4.517 1.00 2.23 C ATOM 1101 C PHE A2127 15.604 4.110 -3.484 1.00 2.57 C ATOM 1102 O PHE A2127 14.942 4.102 -2.448 1.00 3.09 O ATOM 1103 CB PHE A2127 14.227 6.088 -4.166 1.00 2.24 C ATOM 1104 CG PHE A2127 14.176 7.387 -4.915 1.00 2.48 C ATOM 1105 CD1 PHE A2127 15.089 8.393 -4.642 1.00 2.99 C ATOM 1106 CD2 PHE A2127 13.212 7.607 -5.884 1.00 2.99 C ATOM 1107 CE1 PHE A2127 15.042 9.592 -5.322 1.00 3.64 C ATOM 1108 CE2 PHE A2127 13.160 8.805 -6.568 1.00 3.62 C ATOM 1109 CZ PHE A2127 14.076 9.800 -6.285 1.00 3.83 C ATOM 0 H PHE A2127 16.064 4.878 -6.490 1.00 2.04 H new ATOM 0 HA PHE A2127 16.321 5.851 -4.511 1.00 2.23 H new ATOM 0 HB2 PHE A2127 13.315 5.527 -4.369 1.00 2.24 H new ATOM 0 HB3 PHE A2127 14.241 6.297 -3.096 1.00 2.24 H new ATOM 0 HD1 PHE A2127 15.846 8.236 -3.888 1.00 2.99 H new ATOM 0 HD2 PHE A2127 12.493 6.833 -6.107 1.00 2.99 H new ATOM 0 HE1 PHE A2127 15.761 10.367 -5.101 1.00 3.64 H new ATOM 0 HE2 PHE A2127 12.405 8.964 -7.323 1.00 3.62 H new ATOM 0 HZ PHE A2127 14.036 10.739 -6.817 1.00 3.83 H new ATOM 1119 N THR A2128 16.490 3.174 -3.781 1.00 2.82 N ATOM 1120 CA THR A2128 16.738 2.044 -2.902 1.00 3.38 C ATOM 1121 C THR A2128 17.571 2.459 -1.687 1.00 2.89 C ATOM 1122 O THR A2128 17.764 3.652 -1.435 1.00 3.03 O ATOM 1123 CB THR A2128 17.452 0.914 -3.664 1.00 4.34 C ATOM 1124 OG1 THR A2128 18.494 1.466 -4.481 1.00 4.91 O ATOM 1125 CG2 THR A2128 16.472 0.141 -4.535 1.00 5.11 C ATOM 0 H THR A2128 17.053 3.175 -4.631 1.00 2.82 H new ATOM 0 HA THR A2128 15.773 1.682 -2.549 1.00 3.38 H new ATOM 0 HB THR A2128 17.882 0.226 -2.936 1.00 4.34 H new ATOM 0 HG1 THR A2128 18.948 0.744 -4.964 1.00 4.91 H new ATOM 0 HG21 THR A2128 17.002 -0.652 -5.063 1.00 5.11 H new ATOM 0 HG22 THR A2128 15.695 -0.297 -3.908 1.00 5.11 H new ATOM 0 HG23 THR A2128 16.017 0.817 -5.258 1.00 5.11 H new ATOM 1133 N LYS A2129 18.059 1.480 -0.937 1.00 2.90 N ATOM 1134 CA LYS A2129 18.875 1.752 0.241 1.00 2.79 C ATOM 1135 C LYS A2129 20.184 2.440 -0.142 1.00 3.43 C ATOM 1136 O LYS A2129 20.528 2.549 -1.321 1.00 3.99 O ATOM 1137 CB LYS A2129 19.198 0.454 0.988 1.00 3.05 C ATOM 1138 CG LYS A2129 20.063 -0.505 0.184 1.00 3.76 C ATOM 1139 CD LYS A2129 20.524 -1.701 1.006 1.00 4.33 C ATOM 1140 CE LYS A2129 21.763 -1.395 1.851 1.00 4.72 C ATOM 1141 NZ LYS A2129 21.491 -0.469 2.983 1.00 5.22 N ATOM 0 H LYS A2129 17.904 0.489 -1.123 1.00 2.90 H new ATOM 0 HA LYS A2129 18.299 2.413 0.888 1.00 2.79 H new ATOM 0 HB2 LYS A2129 19.708 0.697 1.920 1.00 3.05 H new ATOM 0 HB3 LYS A2129 18.266 -0.045 1.255 1.00 3.05 H new ATOM 0 HG2 LYS A2129 19.502 -0.857 -0.681 1.00 3.76 H new ATOM 0 HG3 LYS A2129 20.934 0.028 -0.197 1.00 3.76 H new ATOM 0 HD2 LYS A2129 19.713 -2.021 1.660 1.00 4.33 H new ATOM 0 HD3 LYS A2129 20.742 -2.534 0.337 1.00 4.33 H new ATOM 0 HE2 LYS A2129 22.166 -2.329 2.244 1.00 4.72 H new ATOM 0 HE3 LYS A2129 22.531 -0.960 1.212 1.00 4.72 H new ATOM 0 HZ1 LYS A2129 21.991 -0.802 3.832 1.00 5.22 H new ATOM 0 HZ2 LYS A2129 21.823 0.486 2.738 1.00 5.22 H new ATOM 0 HZ3 LYS A2129 20.469 -0.442 3.171 1.00 5.22 H new ATOM 1155 N VAL A2130 20.907 2.896 0.863 1.00 3.76 N ATOM 1156 CA VAL A2130 22.246 3.415 0.672 1.00 4.65 C ATOM 1157 C VAL A2130 23.222 2.518 1.423 1.00 5.15 C ATOM 1158 O VAL A2130 24.355 2.316 0.940 1.00 5.63 O ATOM 1159 CB VAL A2130 22.373 4.888 1.140 1.00 5.31 C ATOM 1160 CG1 VAL A2130 22.067 5.029 2.623 1.00 5.79 C ATOM 1161 CG2 VAL A2130 23.753 5.441 0.821 1.00 5.88 C ATOM 1162 OXT VAL A2130 22.810 1.952 2.460 1.00 5.44 O ATOM 0 H VAL A2130 20.584 2.917 1.830 1.00 3.76 H new ATOM 0 HA VAL A2130 22.478 3.412 -0.393 1.00 4.65 H new ATOM 0 HB VAL A2130 21.634 5.472 0.591 1.00 5.31 H new ATOM 0 HG11 VAL A2130 22.166 6.074 2.917 1.00 5.79 H new ATOM 0 HG12 VAL A2130 21.049 4.691 2.818 1.00 5.79 H new ATOM 0 HG13 VAL A2130 22.767 4.423 3.198 1.00 5.79 H new ATOM 0 HG21 VAL A2130 23.817 6.475 1.159 1.00 5.88 H new ATOM 0 HG22 VAL A2130 24.510 4.845 1.330 1.00 5.88 H new ATOM 0 HG23 VAL A2130 23.922 5.400 -0.255 1.00 5.88 H new TER 1172 VAL A2130