USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=20 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: A2093 THR OG1 : rot -87:sc= 0.0242 USER MOD Set 1.2: A2095 THR OG1 : rot 180:sc= 0.0203 USER MOD Set 2.1: A2081 GLN : amide:sc= 0.258 K(o=1.3,f=-8.1!) USER MOD Set 2.2: A2084 TYR OH : rot 94:sc= 1.03 USER MOD Set 3.1: A2077 THR OG1 : rot 180:sc= 0.653 USER MOD Set 3.2: A2083 THR OG1 : rot -106:sc= 0.672 USER MOD Single : A2053 GLN : amide:sc= -2.96! C(o=-3!,f=-3.5!) USER MOD Single : A2064 THR OG1 : rot 6:sc= 1.12 USER MOD Single : A2068 THR OG1 : rot 180:sc= 0 USER MOD Single : A2073 SER OG : rot 180:sc= -0.0943 USER MOD Single : A2074 LYS NZ :NH3+ -167:sc= 0.632 (180deg=0.379) USER MOD Single : A2076 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2085 THR OG1 : rot 180:sc= 0 USER MOD Single : A2091 THR OG1 : rot 180:sc= 0 USER MOD Single : A2098 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2099 GLN : amide:sc= -0.895 K(o=-0.9,f=0) USER MOD Single : A2103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2108 THR OG1 : rot 180:sc= 0 USER MOD Single : A2110 LYS NZ :NH3+ -170:sc= -0.0135 (180deg=-0.134) USER MOD Single : A2114 LYS NZ :NH3+ -169:sc= 0.883 (180deg=0.714) USER MOD Single : A2115 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A2117 THR OG1 : rot 180:sc= 0 USER MOD Single : A2120 THR OG1 : rot 180:sc= 0 USER MOD Single : A2122 THR OG1 : rot 44:sc= 0.397 USER MOD Single : A2123 TYR OH : rot 180:sc= -0.0494 USER MOD Single : A2124 SER OG : rot 180:sc= -0.141 USER MOD Single : A2128 THR OG1 : rot 180:sc= 0.0265 USER MOD Single : A2129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A2053 -3.983 3.891 9.028 1.00 4.90 N ATOM 2 CA GLN A2053 -4.829 4.212 7.860 1.00 4.58 C ATOM 3 C GLN A2053 -4.336 3.467 6.629 1.00 3.90 C ATOM 4 O GLN A2053 -3.165 3.102 6.548 1.00 4.20 O ATOM 5 CB GLN A2053 -4.815 5.716 7.594 1.00 5.04 C ATOM 6 CG GLN A2053 -5.460 6.538 8.695 1.00 5.47 C ATOM 7 CD GLN A2053 -5.306 8.029 8.477 1.00 6.21 C ATOM 8 OE1 GLN A2053 -6.166 8.816 8.870 1.00 6.51 O ATOM 9 NE2 GLN A2053 -4.203 8.433 7.860 1.00 6.85 N ATOM 0 HA GLN A2053 -5.850 3.899 8.078 1.00 4.58 H new ATOM 0 HB2 GLN A2053 -3.783 6.043 7.466 1.00 5.04 H new ATOM 0 HB3 GLN A2053 -5.332 5.914 6.655 1.00 5.04 H new ATOM 0 HG2 GLN A2053 -6.520 6.291 8.754 1.00 5.47 H new ATOM 0 HG3 GLN A2053 -5.016 6.267 9.653 1.00 5.47 H new ATOM 0 HE21 GLN A2053 -3.513 7.749 7.549 1.00 6.85 H new ATOM 0 HE22 GLN A2053 -4.045 9.427 7.697 1.00 6.85 H new ATOM 18 N GLY A2054 -5.229 3.242 5.679 1.00 3.41 N ATOM 19 CA GLY A2054 -4.870 2.534 4.469 1.00 3.09 C ATOM 20 C GLY A2054 -5.462 3.176 3.240 1.00 2.21 C ATOM 21 O GLY A2054 -6.055 2.501 2.398 1.00 2.29 O ATOM 0 H GLY A2054 -6.204 3.540 5.725 1.00 3.41 H new ATOM 0 HA2 GLY A2054 -3.784 2.505 4.375 1.00 3.09 H new ATOM 0 HA3 GLY A2054 -5.212 1.501 4.539 1.00 3.09 H new ATOM 25 N GLY A2055 -5.301 4.483 3.138 1.00 1.77 N ATOM 26 CA GLY A2055 -5.841 5.214 2.017 1.00 1.45 C ATOM 27 C GLY A2055 -5.935 6.694 2.299 1.00 1.28 C ATOM 28 O GLY A2055 -4.931 7.404 2.257 1.00 1.66 O ATOM 0 H GLY A2055 -4.801 5.055 3.819 1.00 1.77 H new ATOM 0 HA2 GLY A2055 -5.213 5.051 1.141 1.00 1.45 H new ATOM 0 HA3 GLY A2055 -6.831 4.827 1.775 1.00 1.45 H new ATOM 32 N ASP A2056 -7.134 7.161 2.601 1.00 1.08 N ATOM 33 CA ASP A2056 -7.359 8.572 2.880 1.00 1.00 C ATOM 34 C ASP A2056 -8.264 8.744 4.091 1.00 1.03 C ATOM 35 O ASP A2056 -9.301 8.099 4.197 1.00 1.04 O ATOM 36 CB ASP A2056 -7.979 9.269 1.666 1.00 1.12 C ATOM 37 CG ASP A2056 -6.937 9.765 0.679 1.00 1.80 C ATOM 38 OD1 ASP A2056 -6.587 9.022 -0.258 1.00 2.41 O ATOM 39 OD2 ASP A2056 -6.476 10.917 0.825 1.00 2.42 O ATOM 0 H ASP A2056 -7.972 6.582 2.660 1.00 1.08 H new ATOM 0 HA ASP A2056 -6.394 9.030 3.096 1.00 1.00 H new ATOM 0 HB2 ASP A2056 -8.653 8.577 1.160 1.00 1.12 H new ATOM 0 HB3 ASP A2056 -8.582 10.111 2.005 1.00 1.12 H new ATOM 44 N PRO A2057 -7.865 9.610 5.034 1.00 1.20 N ATOM 45 CA PRO A2057 -8.664 9.911 6.231 1.00 1.36 C ATOM 46 C PRO A2057 -9.981 10.600 5.883 1.00 1.24 C ATOM 47 O PRO A2057 -11.060 10.133 6.242 1.00 1.34 O ATOM 48 CB PRO A2057 -7.765 10.859 7.033 1.00 1.72 C ATOM 49 CG PRO A2057 -6.815 11.431 6.036 1.00 1.71 C ATOM 50 CD PRO A2057 -6.592 10.352 5.019 1.00 1.41 C ATOM 0 HA PRO A2057 -8.943 9.007 6.773 1.00 1.36 H new ATOM 0 HB2 PRO A2057 -8.349 11.643 7.515 1.00 1.72 H new ATOM 0 HB3 PRO A2057 -7.235 10.326 7.822 1.00 1.72 H new ATOM 0 HG2 PRO A2057 -7.228 12.327 5.572 1.00 1.71 H new ATOM 0 HG3 PRO A2057 -5.878 11.721 6.511 1.00 1.71 H new ATOM 0 HD2 PRO A2057 -6.378 10.765 4.033 1.00 1.41 H new ATOM 0 HD3 PRO A2057 -5.750 9.714 5.287 1.00 1.41 H new ATOM 58 N LEU A2058 -9.870 11.718 5.176 1.00 1.18 N ATOM 59 CA LEU A2058 -11.009 12.481 4.708 1.00 1.17 C ATOM 60 C LEU A2058 -11.877 11.715 3.712 1.00 1.00 C ATOM 61 O LEU A2058 -12.993 12.135 3.399 1.00 1.06 O ATOM 62 CB LEU A2058 -10.520 13.795 4.096 1.00 1.35 C ATOM 63 CG LEU A2058 -9.075 13.814 3.584 1.00 1.71 C ATOM 64 CD1 LEU A2058 -8.851 12.692 2.608 1.00 2.34 C ATOM 65 CD2 LEU A2058 -8.751 15.155 2.945 1.00 2.10 C ATOM 0 H LEU A2058 -8.972 12.122 4.911 1.00 1.18 H new ATOM 0 HA LEU A2058 -11.645 12.681 5.570 1.00 1.17 H new ATOM 0 HB2 LEU A2058 -11.179 14.052 3.267 1.00 1.35 H new ATOM 0 HB3 LEU A2058 -10.628 14.581 4.844 1.00 1.35 H new ATOM 0 HG LEU A2058 -8.405 13.671 4.432 1.00 1.71 H new ATOM 0 HD11 LEU A2058 -7.821 12.719 2.253 1.00 2.34 H new ATOM 0 HD12 LEU A2058 -9.041 11.738 3.100 1.00 2.34 H new ATOM 0 HD13 LEU A2058 -9.529 12.805 1.762 1.00 2.34 H new ATOM 0 HD21 LEU A2058 -7.721 15.149 2.588 1.00 2.10 H new ATOM 0 HD22 LEU A2058 -9.425 15.331 2.106 1.00 2.10 H new ATOM 0 HD23 LEU A2058 -8.875 15.949 3.682 1.00 2.10 H new ATOM 77 N VAL A2059 -11.370 10.600 3.215 1.00 0.86 N ATOM 78 CA VAL A2059 -12.098 9.797 2.246 1.00 0.74 C ATOM 79 C VAL A2059 -11.973 8.323 2.600 1.00 0.66 C ATOM 80 O VAL A2059 -11.081 7.631 2.108 1.00 0.62 O ATOM 81 CB VAL A2059 -11.582 10.020 0.809 1.00 0.75 C ATOM 82 CG1 VAL A2059 -12.491 9.323 -0.193 1.00 0.80 C ATOM 83 CG2 VAL A2059 -11.474 11.506 0.498 1.00 0.87 C ATOM 0 H VAL A2059 -10.454 10.229 3.467 1.00 0.86 H new ATOM 0 HA VAL A2059 -13.142 10.107 2.282 1.00 0.74 H new ATOM 0 HB VAL A2059 -10.585 9.587 0.730 1.00 0.75 H new ATOM 0 HG11 VAL A2059 -12.115 9.489 -1.202 1.00 0.80 H new ATOM 0 HG12 VAL A2059 -12.510 8.253 0.016 1.00 0.80 H new ATOM 0 HG13 VAL A2059 -13.500 9.727 -0.111 1.00 0.80 H new ATOM 0 HG21 VAL A2059 -11.108 11.639 -0.520 1.00 0.87 H new ATOM 0 HG22 VAL A2059 -12.455 11.970 0.595 1.00 0.87 H new ATOM 0 HG23 VAL A2059 -10.781 11.974 1.197 1.00 0.87 H new ATOM 93 N PRO A2060 -12.857 7.835 3.477 1.00 0.71 N ATOM 94 CA PRO A2060 -12.811 6.454 3.958 1.00 0.72 C ATOM 95 C PRO A2060 -12.891 5.441 2.819 1.00 0.59 C ATOM 96 O PRO A2060 -13.669 5.607 1.874 1.00 0.58 O ATOM 97 CB PRO A2060 -14.038 6.340 4.867 1.00 0.87 C ATOM 98 CG PRO A2060 -14.373 7.741 5.243 1.00 1.04 C ATOM 99 CD PRO A2060 -13.976 8.587 4.070 1.00 0.86 C ATOM 0 HA PRO A2060 -11.873 6.236 4.468 1.00 0.72 H new ATOM 0 HB2 PRO A2060 -14.869 5.861 4.349 1.00 0.87 H new ATOM 0 HB3 PRO A2060 -13.821 5.736 5.748 1.00 0.87 H new ATOM 0 HG2 PRO A2060 -15.437 7.844 5.457 1.00 1.04 H new ATOM 0 HG3 PRO A2060 -13.836 8.043 6.142 1.00 1.04 H new ATOM 0 HD2 PRO A2060 -14.798 8.709 3.365 1.00 0.86 H new ATOM 0 HD3 PRO A2060 -13.671 9.587 4.379 1.00 0.86 H new ATOM 107 N ILE A2061 -12.072 4.403 2.915 1.00 0.62 N ATOM 108 CA ILE A2061 -12.023 3.363 1.902 1.00 0.56 C ATOM 109 C ILE A2061 -13.342 2.606 1.858 1.00 0.51 C ATOM 110 O ILE A2061 -13.917 2.278 2.896 1.00 0.57 O ATOM 111 CB ILE A2061 -10.859 2.380 2.167 1.00 0.69 C ATOM 112 CG1 ILE A2061 -9.519 3.120 2.105 1.00 0.77 C ATOM 113 CG2 ILE A2061 -10.877 1.231 1.169 1.00 0.75 C ATOM 114 CD1 ILE A2061 -9.270 3.809 0.779 1.00 0.76 C ATOM 0 H ILE A2061 -11.428 4.260 3.693 1.00 0.62 H new ATOM 0 HA ILE A2061 -11.853 3.842 0.938 1.00 0.56 H new ATOM 0 HB ILE A2061 -10.986 1.961 3.165 1.00 0.69 H new ATOM 0 HG12 ILE A2061 -9.485 3.862 2.903 1.00 0.77 H new ATOM 0 HG13 ILE A2061 -8.713 2.412 2.294 1.00 0.77 H new ATOM 0 HG21 ILE A2061 -10.048 0.555 1.378 1.00 0.75 H new ATOM 0 HG22 ILE A2061 -11.819 0.689 1.255 1.00 0.75 H new ATOM 0 HG23 ILE A2061 -10.777 1.626 0.158 1.00 0.75 H new ATOM 0 HD11 ILE A2061 -8.304 4.312 0.806 1.00 0.76 H new ATOM 0 HD12 ILE A2061 -9.271 3.069 -0.021 1.00 0.76 H new ATOM 0 HD13 ILE A2061 -10.056 4.542 0.597 1.00 0.76 H new ATOM 126 N ASP A2062 -13.824 2.346 0.654 1.00 0.45 N ATOM 127 CA ASP A2062 -15.117 1.710 0.485 1.00 0.43 C ATOM 128 C ASP A2062 -15.005 0.201 0.624 1.00 0.43 C ATOM 129 O ASP A2062 -14.121 -0.429 0.049 1.00 0.43 O ATOM 130 CB ASP A2062 -15.725 2.065 -0.865 1.00 0.44 C ATOM 131 CG ASP A2062 -17.144 1.568 -0.972 1.00 0.71 C ATOM 132 OD1 ASP A2062 -18.006 2.064 -0.215 1.00 1.42 O ATOM 133 OD2 ASP A2062 -17.402 0.677 -1.801 1.00 1.40 O ATOM 0 H ASP A2062 -13.340 2.565 -0.217 1.00 0.45 H new ATOM 0 HA ASP A2062 -15.773 2.083 1.272 1.00 0.43 H new ATOM 0 HB2 ASP A2062 -15.704 3.146 -1.003 1.00 0.44 H new ATOM 0 HB3 ASP A2062 -15.124 1.630 -1.663 1.00 0.44 H new ATOM 138 N GLU A2063 -15.923 -0.373 1.378 1.00 0.47 N ATOM 139 CA GLU A2063 -15.870 -1.788 1.699 1.00 0.52 C ATOM 140 C GLU A2063 -16.561 -2.632 0.632 1.00 0.51 C ATOM 141 O GLU A2063 -16.473 -3.859 0.655 1.00 0.58 O ATOM 142 CB GLU A2063 -16.519 -2.018 3.060 1.00 0.64 C ATOM 143 CG GLU A2063 -15.905 -1.168 4.160 1.00 0.72 C ATOM 144 CD GLU A2063 -16.721 -1.194 5.433 1.00 0.87 C ATOM 145 OE1 GLU A2063 -17.601 -0.327 5.591 1.00 1.55 O ATOM 146 OE2 GLU A2063 -16.500 -2.082 6.276 1.00 1.30 O ATOM 0 H GLU A2063 -16.719 0.121 1.782 1.00 0.47 H new ATOM 0 HA GLU A2063 -14.825 -2.097 1.731 1.00 0.52 H new ATOM 0 HB2 GLU A2063 -17.584 -1.799 2.990 1.00 0.64 H new ATOM 0 HB3 GLU A2063 -16.427 -3.071 3.327 1.00 0.64 H new ATOM 0 HG2 GLU A2063 -14.897 -1.525 4.371 1.00 0.72 H new ATOM 0 HG3 GLU A2063 -15.813 -0.139 3.812 1.00 0.72 H new ATOM 153 N THR A2064 -17.242 -1.984 -0.308 1.00 0.49 N ATOM 154 CA THR A2064 -17.958 -2.715 -1.346 1.00 0.54 C ATOM 155 C THR A2064 -17.219 -2.661 -2.682 1.00 0.50 C ATOM 156 O THR A2064 -17.737 -3.095 -3.710 1.00 0.59 O ATOM 157 CB THR A2064 -19.407 -2.205 -1.516 1.00 0.60 C ATOM 158 OG1 THR A2064 -19.431 -0.809 -1.841 1.00 0.58 O ATOM 159 CG2 THR A2064 -20.205 -2.437 -0.243 1.00 0.69 C ATOM 0 H THR A2064 -17.313 -0.968 -0.372 1.00 0.49 H new ATOM 0 HA THR A2064 -18.003 -3.754 -1.020 1.00 0.54 H new ATOM 0 HB THR A2064 -19.858 -2.764 -2.336 1.00 0.60 H new ATOM 0 HG1 THR A2064 -18.515 -0.488 -1.974 1.00 0.58 H new ATOM 0 HG21 THR A2064 -21.223 -2.072 -0.380 1.00 0.69 H new ATOM 0 HG22 THR A2064 -20.229 -3.503 -0.018 1.00 0.69 H new ATOM 0 HG23 THR A2064 -19.736 -1.902 0.583 1.00 0.69 H new ATOM 167 N VAL A2065 -16.006 -2.124 -2.660 1.00 0.44 N ATOM 168 CA VAL A2065 -15.147 -2.128 -3.838 1.00 0.43 C ATOM 169 C VAL A2065 -13.979 -3.076 -3.610 1.00 0.37 C ATOM 170 O VAL A2065 -13.902 -3.725 -2.566 1.00 0.46 O ATOM 171 CB VAL A2065 -14.607 -0.720 -4.170 1.00 0.48 C ATOM 172 CG1 VAL A2065 -15.743 0.219 -4.534 1.00 0.82 C ATOM 173 CG2 VAL A2065 -13.796 -0.165 -3.010 1.00 0.57 C ATOM 0 H VAL A2065 -15.594 -1.680 -1.839 1.00 0.44 H new ATOM 0 HA VAL A2065 -15.749 -2.460 -4.684 1.00 0.43 H new ATOM 0 HB VAL A2065 -13.947 -0.804 -5.033 1.00 0.48 H new ATOM 0 HG11 VAL A2065 -15.340 1.205 -4.764 1.00 0.82 H new ATOM 0 HG12 VAL A2065 -16.271 -0.169 -5.405 1.00 0.82 H new ATOM 0 HG13 VAL A2065 -16.434 0.296 -3.695 1.00 0.82 H new ATOM 0 HG21 VAL A2065 -13.426 0.828 -3.267 1.00 0.57 H new ATOM 0 HG22 VAL A2065 -14.427 -0.099 -2.124 1.00 0.57 H new ATOM 0 HG23 VAL A2065 -12.953 -0.825 -2.807 1.00 0.57 H new ATOM 183 N GLU A2066 -13.076 -3.160 -4.578 1.00 0.34 N ATOM 184 CA GLU A2066 -11.927 -4.042 -4.462 1.00 0.32 C ATOM 185 C GLU A2066 -10.713 -3.290 -3.925 1.00 0.26 C ATOM 186 O GLU A2066 -10.174 -2.386 -4.586 1.00 0.28 O ATOM 187 CB GLU A2066 -11.591 -4.680 -5.812 1.00 0.40 C ATOM 188 CG GLU A2066 -10.418 -5.646 -5.747 1.00 0.43 C ATOM 189 CD GLU A2066 -10.113 -6.287 -7.083 1.00 0.61 C ATOM 190 OE1 GLU A2066 -9.261 -5.756 -7.825 1.00 0.68 O ATOM 191 OE2 GLU A2066 -10.725 -7.328 -7.398 1.00 0.78 O ATOM 0 H GLU A2066 -13.118 -2.630 -5.448 1.00 0.34 H new ATOM 0 HA GLU A2066 -12.187 -4.832 -3.757 1.00 0.32 H new ATOM 0 HB2 GLU A2066 -12.468 -5.209 -6.184 1.00 0.40 H new ATOM 0 HB3 GLU A2066 -11.365 -3.893 -6.531 1.00 0.40 H new ATOM 0 HG2 GLU A2066 -9.534 -5.114 -5.394 1.00 0.43 H new ATOM 0 HG3 GLU A2066 -10.635 -6.425 -5.016 1.00 0.43 H new ATOM 198 N PRO A2067 -10.304 -3.607 -2.690 1.00 0.27 N ATOM 199 CA PRO A2067 -9.052 -3.158 -2.137 1.00 0.30 C ATOM 200 C PRO A2067 -7.985 -4.253 -2.191 1.00 0.28 C ATOM 201 O PRO A2067 -8.014 -5.202 -1.407 1.00 0.34 O ATOM 202 CB PRO A2067 -9.446 -2.841 -0.689 1.00 0.41 C ATOM 203 CG PRO A2067 -10.664 -3.681 -0.401 1.00 0.45 C ATOM 204 CD PRO A2067 -11.051 -4.370 -1.689 1.00 0.37 C ATOM 0 HA PRO A2067 -8.613 -2.317 -2.675 1.00 0.30 H new ATOM 0 HB2 PRO A2067 -8.635 -3.080 -0.002 1.00 0.41 H new ATOM 0 HB3 PRO A2067 -9.665 -1.780 -0.567 1.00 0.41 H new ATOM 0 HG2 PRO A2067 -10.450 -4.414 0.377 1.00 0.45 H new ATOM 0 HG3 PRO A2067 -11.482 -3.059 -0.037 1.00 0.45 H new ATOM 0 HD2 PRO A2067 -10.769 -5.423 -1.687 1.00 0.37 H new ATOM 0 HD3 PRO A2067 -12.126 -4.328 -1.865 1.00 0.37 H new ATOM 212 N THR A2068 -7.024 -4.104 -3.088 1.00 0.29 N ATOM 213 CA THR A2068 -5.996 -5.116 -3.276 1.00 0.32 C ATOM 214 C THR A2068 -4.648 -4.473 -3.569 1.00 0.39 C ATOM 215 O THR A2068 -4.501 -3.251 -3.523 1.00 0.70 O ATOM 216 CB THR A2068 -6.362 -6.071 -4.434 1.00 0.34 C ATOM 217 OG1 THR A2068 -6.835 -5.320 -5.560 1.00 0.38 O ATOM 218 CG2 THR A2068 -7.417 -7.079 -4.006 1.00 0.36 C ATOM 0 H THR A2068 -6.934 -3.292 -3.698 1.00 0.29 H new ATOM 0 HA THR A2068 -5.930 -5.686 -2.349 1.00 0.32 H new ATOM 0 HB THR A2068 -5.462 -6.619 -4.715 1.00 0.34 H new ATOM 0 HG1 THR A2068 -7.063 -5.933 -6.290 1.00 0.38 H new ATOM 0 HG21 THR A2068 -7.653 -7.736 -4.843 1.00 0.36 H new ATOM 0 HG22 THR A2068 -7.037 -7.672 -3.174 1.00 0.36 H new ATOM 0 HG23 THR A2068 -8.318 -6.552 -3.694 1.00 0.36 H new ATOM 226 N PHE A2069 -3.649 -5.301 -3.799 1.00 0.25 N ATOM 227 CA PHE A2069 -2.375 -4.825 -4.296 1.00 0.26 C ATOM 228 C PHE A2069 -2.296 -5.108 -5.779 1.00 0.27 C ATOM 229 O PHE A2069 -3.097 -5.897 -6.274 1.00 0.31 O ATOM 230 CB PHE A2069 -1.224 -5.481 -3.541 1.00 0.31 C ATOM 231 CG PHE A2069 -1.270 -5.169 -2.077 1.00 0.28 C ATOM 232 CD1 PHE A2069 -1.902 -6.021 -1.192 1.00 1.14 C ATOM 233 CD2 PHE A2069 -0.716 -4.001 -1.595 1.00 1.12 C ATOM 234 CE1 PHE A2069 -1.984 -5.714 0.148 1.00 1.16 C ATOM 235 CE2 PHE A2069 -0.789 -3.690 -0.255 1.00 1.15 C ATOM 236 CZ PHE A2069 -1.428 -4.547 0.617 1.00 0.42 C ATOM 0 H PHE A2069 -3.696 -6.309 -3.649 1.00 0.25 H new ATOM 0 HA PHE A2069 -2.292 -3.750 -4.134 1.00 0.26 H new ATOM 0 HB2 PHE A2069 -1.264 -6.561 -3.684 1.00 0.31 H new ATOM 0 HB3 PHE A2069 -0.276 -5.140 -3.956 1.00 0.31 H new ATOM 0 HD1 PHE A2069 -2.337 -6.940 -1.556 1.00 1.14 H new ATOM 0 HD2 PHE A2069 -0.220 -3.324 -2.275 1.00 1.12 H new ATOM 0 HE1 PHE A2069 -2.483 -6.388 0.828 1.00 1.16 H new ATOM 0 HE2 PHE A2069 -0.346 -2.776 0.113 1.00 1.15 H new ATOM 0 HZ PHE A2069 -1.492 -4.302 1.667 1.00 0.42 H new ATOM 246 N GLU A2070 -1.358 -4.490 -6.481 1.00 0.30 N ATOM 247 CA GLU A2070 -1.313 -4.580 -7.941 1.00 0.36 C ATOM 248 C GLU A2070 -1.308 -6.043 -8.421 1.00 0.36 C ATOM 249 O GLU A2070 -1.898 -6.372 -9.453 1.00 0.44 O ATOM 250 CB GLU A2070 -0.095 -3.815 -8.468 1.00 0.52 C ATOM 251 CG GLU A2070 -0.031 -3.714 -9.980 1.00 0.66 C ATOM 252 CD GLU A2070 1.212 -2.995 -10.467 1.00 1.36 C ATOM 253 OE1 GLU A2070 2.326 -3.392 -10.067 1.00 2.09 O ATOM 254 OE2 GLU A2070 1.083 -2.050 -11.271 1.00 2.01 O ATOM 0 H GLU A2070 -0.618 -3.921 -6.069 1.00 0.30 H new ATOM 0 HA GLU A2070 -2.216 -4.122 -8.343 1.00 0.36 H new ATOM 0 HB2 GLU A2070 -0.102 -2.809 -8.048 1.00 0.52 H new ATOM 0 HB3 GLU A2070 0.811 -4.304 -8.109 1.00 0.52 H new ATOM 0 HG2 GLU A2070 -0.057 -4.716 -10.408 1.00 0.66 H new ATOM 0 HG3 GLU A2070 -0.915 -3.189 -10.343 1.00 0.66 H new ATOM 261 N ASP A2071 -0.685 -6.926 -7.640 1.00 0.40 N ATOM 262 CA ASP A2071 -0.633 -8.354 -7.973 1.00 0.53 C ATOM 263 C ASP A2071 -1.860 -9.106 -7.452 1.00 0.50 C ATOM 264 O ASP A2071 -1.880 -10.337 -7.438 1.00 0.62 O ATOM 265 CB ASP A2071 0.628 -9.007 -7.396 1.00 0.69 C ATOM 266 CG ASP A2071 1.902 -8.535 -8.062 1.00 1.42 C ATOM 267 OD1 ASP A2071 2.693 -7.826 -7.406 1.00 2.06 O ATOM 268 OD2 ASP A2071 2.127 -8.881 -9.243 1.00 2.15 O ATOM 0 H ASP A2071 -0.209 -6.680 -6.772 1.00 0.40 H new ATOM 0 HA ASP A2071 -0.616 -8.418 -9.061 1.00 0.53 H new ATOM 0 HB2 ASP A2071 0.683 -8.794 -6.328 1.00 0.69 H new ATOM 0 HB3 ASP A2071 0.550 -10.089 -7.502 1.00 0.69 H new ATOM 273 N GLY A2072 -2.881 -8.370 -7.030 1.00 0.43 N ATOM 274 CA GLY A2072 -4.074 -8.989 -6.481 1.00 0.48 C ATOM 275 C GLY A2072 -3.853 -9.490 -5.069 1.00 0.48 C ATOM 276 O GLY A2072 -4.627 -10.296 -4.552 1.00 0.63 O ATOM 0 H GLY A2072 -2.904 -7.351 -7.058 1.00 0.43 H new ATOM 0 HA2 GLY A2072 -4.892 -8.268 -6.486 1.00 0.48 H new ATOM 0 HA3 GLY A2072 -4.377 -9.820 -7.118 1.00 0.48 H new ATOM 280 N SER A2073 -2.806 -8.987 -4.435 1.00 0.37 N ATOM 281 CA SER A2073 -2.390 -9.483 -3.127 1.00 0.38 C ATOM 282 C SER A2073 -3.272 -8.915 -2.018 1.00 0.35 C ATOM 283 O SER A2073 -4.007 -7.943 -2.230 1.00 0.38 O ATOM 284 CB SER A2073 -0.928 -9.107 -2.881 1.00 0.46 C ATOM 285 OG SER A2073 -0.160 -9.278 -4.060 1.00 0.89 O ATOM 0 H SER A2073 -2.226 -8.234 -4.804 1.00 0.37 H new ATOM 0 HA SER A2073 -2.495 -10.568 -3.117 1.00 0.38 H new ATOM 0 HB2 SER A2073 -0.865 -8.071 -2.548 1.00 0.46 H new ATOM 0 HB3 SER A2073 -0.518 -9.725 -2.082 1.00 0.46 H new ATOM 0 HG SER A2073 0.771 -9.031 -3.882 1.00 0.89 H new ATOM 291 N LYS A2074 -3.205 -9.533 -0.842 1.00 0.35 N ATOM 292 CA LYS A2074 -3.966 -9.077 0.319 1.00 0.34 C ATOM 293 C LYS A2074 -3.020 -8.605 1.426 1.00 0.34 C ATOM 294 O LYS A2074 -3.418 -7.885 2.341 1.00 0.42 O ATOM 295 CB LYS A2074 -4.882 -10.191 0.836 1.00 0.39 C ATOM 296 CG LYS A2074 -5.830 -10.747 -0.220 1.00 0.53 C ATOM 297 CD LYS A2074 -6.679 -9.651 -0.853 1.00 0.43 C ATOM 298 CE LYS A2074 -7.641 -10.210 -1.895 1.00 0.55 C ATOM 299 NZ LYS A2074 -6.937 -10.934 -2.989 1.00 1.13 N ATOM 0 H LYS A2074 -2.628 -10.356 -0.667 1.00 0.35 H new ATOM 0 HA LYS A2074 -4.588 -8.236 0.013 1.00 0.34 H new ATOM 0 HB2 LYS A2074 -4.267 -11.004 1.223 1.00 0.39 H new ATOM 0 HB3 LYS A2074 -5.468 -9.808 1.672 1.00 0.39 H new ATOM 0 HG2 LYS A2074 -5.254 -11.254 -0.995 1.00 0.53 H new ATOM 0 HG3 LYS A2074 -6.481 -11.495 0.234 1.00 0.53 H new ATOM 0 HD2 LYS A2074 -7.244 -9.135 -0.077 1.00 0.43 H new ATOM 0 HD3 LYS A2074 -6.028 -8.911 -1.319 1.00 0.43 H new ATOM 0 HE2 LYS A2074 -8.345 -10.886 -1.410 1.00 0.55 H new ATOM 0 HE3 LYS A2074 -8.225 -9.394 -2.321 1.00 0.55 H new ATOM 0 HZ1 LYS A2074 -7.597 -11.102 -3.775 1.00 1.13 H new ATOM 0 HZ2 LYS A2074 -6.137 -10.361 -3.325 1.00 1.13 H new ATOM 0 HZ3 LYS A2074 -6.585 -11.845 -2.632 1.00 1.13 H new ATOM 313 N GLU A2075 -1.765 -9.021 1.331 1.00 0.33 N ATOM 314 CA GLU A2075 -0.712 -8.544 2.216 1.00 0.32 C ATOM 315 C GLU A2075 0.601 -8.505 1.458 1.00 0.34 C ATOM 316 O GLU A2075 0.879 -9.384 0.645 1.00 0.47 O ATOM 317 CB GLU A2075 -0.576 -9.434 3.462 1.00 0.36 C ATOM 318 CG GLU A2075 0.799 -9.388 4.113 1.00 0.91 C ATOM 319 CD GLU A2075 0.956 -10.397 5.230 1.00 1.40 C ATOM 320 OE1 GLU A2075 0.549 -10.104 6.374 1.00 2.08 O ATOM 321 OE2 GLU A2075 1.505 -11.488 4.975 1.00 1.88 O ATOM 0 H GLU A2075 -1.448 -9.699 0.638 1.00 0.33 H new ATOM 0 HA GLU A2075 -0.975 -7.542 2.554 1.00 0.32 H new ATOM 0 HB2 GLU A2075 -1.323 -9.130 4.195 1.00 0.36 H new ATOM 0 HB3 GLU A2075 -0.801 -10.464 3.186 1.00 0.36 H new ATOM 0 HG2 GLU A2075 1.561 -9.571 3.355 1.00 0.91 H new ATOM 0 HG3 GLU A2075 0.976 -8.387 4.507 1.00 0.91 H new ATOM 328 N LYS A2076 1.389 -7.479 1.701 1.00 0.35 N ATOM 329 CA LYS A2076 2.710 -7.394 1.115 1.00 0.38 C ATOM 330 C LYS A2076 3.738 -7.136 2.195 1.00 0.37 C ATOM 331 O LYS A2076 3.707 -6.092 2.848 1.00 0.37 O ATOM 332 CB LYS A2076 2.784 -6.277 0.079 1.00 0.44 C ATOM 333 CG LYS A2076 4.137 -6.205 -0.606 1.00 0.88 C ATOM 334 CD LYS A2076 4.359 -7.403 -1.512 1.00 0.91 C ATOM 335 CE LYS A2076 5.835 -7.723 -1.659 1.00 0.88 C ATOM 336 NZ LYS A2076 6.058 -8.849 -2.602 1.00 1.48 N ATOM 0 H LYS A2076 1.138 -6.692 2.300 1.00 0.35 H new ATOM 0 HA LYS A2076 2.918 -8.343 0.621 1.00 0.38 H new ATOM 0 HB2 LYS A2076 2.009 -6.431 -0.672 1.00 0.44 H new ATOM 0 HB3 LYS A2076 2.575 -5.323 0.563 1.00 0.44 H new ATOM 0 HG2 LYS A2076 4.203 -5.287 -1.190 1.00 0.88 H new ATOM 0 HG3 LYS A2076 4.926 -6.163 0.145 1.00 0.88 H new ATOM 0 HD2 LYS A2076 3.836 -8.269 -1.106 1.00 0.91 H new ATOM 0 HD3 LYS A2076 3.929 -7.203 -2.494 1.00 0.91 H new ATOM 0 HE2 LYS A2076 6.366 -6.840 -2.014 1.00 0.88 H new ATOM 0 HE3 LYS A2076 6.252 -7.976 -0.684 1.00 0.88 H new ATOM 0 HZ1 LYS A2076 7.077 -9.041 -2.679 1.00 1.48 H new ATOM 0 HZ2 LYS A2076 5.571 -9.698 -2.250 1.00 1.48 H new ATOM 0 HZ3 LYS A2076 5.682 -8.597 -3.538 1.00 1.48 H new ATOM 350 N THR A2077 4.641 -8.077 2.389 1.00 0.45 N ATOM 351 CA THR A2077 5.700 -7.892 3.351 1.00 0.47 C ATOM 352 C THR A2077 7.048 -7.810 2.664 1.00 0.52 C ATOM 353 O THR A2077 7.369 -8.613 1.787 1.00 0.63 O ATOM 354 CB THR A2077 5.739 -9.007 4.405 1.00 0.50 C ATOM 355 OG1 THR A2077 4.465 -9.106 5.061 1.00 0.48 O ATOM 356 CG2 THR A2077 6.824 -8.714 5.430 1.00 0.55 C ATOM 0 H THR A2077 4.660 -8.970 1.896 1.00 0.45 H new ATOM 0 HA THR A2077 5.487 -6.952 3.860 1.00 0.47 H new ATOM 0 HB THR A2077 5.961 -9.953 3.911 1.00 0.50 H new ATOM 0 HG1 THR A2077 4.497 -9.820 5.731 1.00 0.48 H new ATOM 0 HG21 THR A2077 6.845 -9.510 6.175 1.00 0.55 H new ATOM 0 HG22 THR A2077 7.791 -8.658 4.930 1.00 0.55 H new ATOM 0 HG23 THR A2077 6.614 -7.764 5.921 1.00 0.55 H new ATOM 364 N ILE A2078 7.819 -6.820 3.063 1.00 0.51 N ATOM 365 CA ILE A2078 9.151 -6.619 2.543 1.00 0.60 C ATOM 366 C ILE A2078 10.095 -6.334 3.704 1.00 0.60 C ATOM 367 O ILE A2078 9.871 -5.392 4.465 1.00 0.53 O ATOM 368 CB ILE A2078 9.168 -5.450 1.542 1.00 0.67 C ATOM 369 CG1 ILE A2078 8.235 -5.756 0.368 1.00 0.75 C ATOM 370 CG2 ILE A2078 10.587 -5.187 1.053 1.00 0.80 C ATOM 371 CD1 ILE A2078 7.716 -4.523 -0.337 1.00 1.62 C ATOM 0 H ILE A2078 7.536 -6.131 3.760 1.00 0.51 H new ATOM 0 HA ILE A2078 9.476 -7.517 2.018 1.00 0.60 H new ATOM 0 HB ILE A2078 8.813 -4.549 2.043 1.00 0.67 H new ATOM 0 HG12 ILE A2078 8.765 -6.379 -0.352 1.00 0.75 H new ATOM 0 HG13 ILE A2078 7.388 -6.339 0.731 1.00 0.75 H new ATOM 0 HG21 ILE A2078 10.580 -4.357 0.346 1.00 0.80 H new ATOM 0 HG22 ILE A2078 11.223 -4.936 1.901 1.00 0.80 H new ATOM 0 HG23 ILE A2078 10.974 -6.080 0.561 1.00 0.80 H new ATOM 0 HD11 ILE A2078 7.062 -4.821 -1.157 1.00 1.62 H new ATOM 0 HD12 ILE A2078 7.157 -3.909 0.369 1.00 1.62 H new ATOM 0 HD13 ILE A2078 8.555 -3.950 -0.732 1.00 1.62 H new ATOM 383 N PRO A2079 11.138 -7.166 3.873 1.00 0.72 N ATOM 384 CA PRO A2079 12.074 -7.065 5.001 1.00 0.79 C ATOM 385 C PRO A2079 12.638 -5.659 5.190 1.00 0.74 C ATOM 386 O PRO A2079 13.448 -5.186 4.390 1.00 0.76 O ATOM 387 CB PRO A2079 13.195 -8.032 4.619 1.00 0.94 C ATOM 388 CG PRO A2079 12.549 -9.028 3.724 1.00 0.98 C ATOM 389 CD PRO A2079 11.481 -8.284 2.972 1.00 0.85 C ATOM 0 HA PRO A2079 11.582 -7.297 5.946 1.00 0.79 H new ATOM 0 HB2 PRO A2079 14.009 -7.514 4.112 1.00 0.94 H new ATOM 0 HB3 PRO A2079 13.622 -8.511 5.500 1.00 0.94 H new ATOM 0 HG2 PRO A2079 13.275 -9.465 3.039 1.00 0.98 H new ATOM 0 HG3 PRO A2079 12.120 -9.848 4.299 1.00 0.98 H new ATOM 0 HD2 PRO A2079 11.844 -7.926 2.009 1.00 0.85 H new ATOM 0 HD3 PRO A2079 10.617 -8.917 2.771 1.00 0.85 H new ATOM 397 N GLY A2080 12.201 -4.999 6.255 1.00 0.73 N ATOM 398 CA GLY A2080 12.715 -3.686 6.578 1.00 0.76 C ATOM 399 C GLY A2080 11.848 -2.570 6.040 1.00 0.70 C ATOM 400 O GLY A2080 12.020 -1.415 6.414 1.00 0.94 O ATOM 0 H GLY A2080 11.497 -5.353 6.902 1.00 0.73 H new ATOM 0 HA2 GLY A2080 12.795 -3.588 7.661 1.00 0.76 H new ATOM 0 HA3 GLY A2080 13.722 -3.585 6.173 1.00 0.76 H new ATOM 404 N GLN A2081 10.903 -2.915 5.181 1.00 0.54 N ATOM 405 CA GLN A2081 10.061 -1.918 4.536 1.00 0.53 C ATOM 406 C GLN A2081 8.685 -1.902 5.185 1.00 0.50 C ATOM 407 O GLN A2081 7.980 -0.890 5.166 1.00 0.57 O ATOM 408 CB GLN A2081 9.954 -2.237 3.048 1.00 0.57 C ATOM 409 CG GLN A2081 9.125 -1.254 2.235 1.00 0.95 C ATOM 410 CD GLN A2081 9.179 -1.567 0.751 1.00 1.09 C ATOM 411 OE1 GLN A2081 10.177 -2.089 0.260 1.00 2.02 O ATOM 412 NE2 GLN A2081 8.114 -1.262 0.025 1.00 0.87 N ATOM 0 H GLN A2081 10.699 -3.878 4.913 1.00 0.54 H new ATOM 0 HA GLN A2081 10.504 -0.929 4.654 1.00 0.53 H new ATOM 0 HB2 GLN A2081 10.959 -2.276 2.627 1.00 0.57 H new ATOM 0 HB3 GLN A2081 9.523 -3.232 2.936 1.00 0.57 H new ATOM 0 HG2 GLN A2081 8.090 -1.282 2.575 1.00 0.95 H new ATOM 0 HG3 GLN A2081 9.490 -0.241 2.407 1.00 0.95 H new ATOM 0 HE21 GLN A2081 7.303 -0.829 0.466 1.00 0.87 H new ATOM 0 HE22 GLN A2081 8.105 -1.460 -0.976 1.00 0.87 H new ATOM 421 N GLY A2082 8.310 -3.039 5.749 1.00 0.47 N ATOM 422 CA GLY A2082 7.070 -3.130 6.488 1.00 0.50 C ATOM 423 C GLY A2082 6.068 -4.047 5.827 1.00 0.40 C ATOM 424 O GLY A2082 6.438 -4.951 5.072 1.00 0.45 O ATOM 0 H GLY A2082 8.846 -3.906 5.707 1.00 0.47 H new ATOM 0 HA2 GLY A2082 7.277 -3.490 7.496 1.00 0.50 H new ATOM 0 HA3 GLY A2082 6.636 -2.135 6.588 1.00 0.50 H new ATOM 428 N THR A2083 4.797 -3.829 6.120 1.00 0.33 N ATOM 429 CA THR A2083 3.732 -4.604 5.519 1.00 0.29 C ATOM 430 C THR A2083 2.505 -3.739 5.282 1.00 0.25 C ATOM 431 O THR A2083 2.128 -2.903 6.113 1.00 0.30 O ATOM 432 CB THR A2083 3.341 -5.820 6.388 1.00 0.36 C ATOM 433 OG1 THR A2083 4.494 -6.644 6.603 1.00 0.49 O ATOM 434 CG2 THR A2083 2.242 -6.648 5.724 1.00 0.36 C ATOM 0 H THR A2083 4.479 -3.115 6.776 1.00 0.33 H new ATOM 0 HA THR A2083 4.109 -4.972 4.565 1.00 0.29 H new ATOM 0 HB THR A2083 2.961 -5.449 7.340 1.00 0.36 H new ATOM 0 HG1 THR A2083 4.423 -7.455 6.058 1.00 0.49 H new ATOM 0 HG21 THR A2083 1.990 -7.496 6.361 1.00 0.36 H new ATOM 0 HG22 THR A2083 1.357 -6.028 5.578 1.00 0.36 H new ATOM 0 HG23 THR A2083 2.593 -7.012 4.758 1.00 0.36 H new ATOM 442 N TYR A2084 1.912 -3.921 4.126 1.00 0.28 N ATOM 443 CA TYR A2084 0.643 -3.307 3.819 1.00 0.34 C ATOM 444 C TYR A2084 -0.401 -4.413 3.819 1.00 0.32 C ATOM 445 O TYR A2084 -0.216 -5.434 3.154 1.00 0.29 O ATOM 446 CB TYR A2084 0.715 -2.612 2.459 1.00 0.43 C ATOM 447 CG TYR A2084 2.053 -1.954 2.193 1.00 0.44 C ATOM 448 CD1 TYR A2084 2.929 -2.481 1.251 1.00 1.13 C ATOM 449 CD2 TYR A2084 2.450 -0.826 2.897 1.00 1.38 C ATOM 450 CE1 TYR A2084 4.162 -1.903 1.020 1.00 1.15 C ATOM 451 CE2 TYR A2084 3.679 -0.239 2.668 1.00 1.44 C ATOM 452 CZ TYR A2084 4.533 -0.782 1.729 1.00 0.62 C ATOM 453 OH TYR A2084 5.765 -0.206 1.507 1.00 0.76 O ATOM 0 H TYR A2084 2.294 -4.496 3.375 1.00 0.28 H new ATOM 0 HA TYR A2084 0.382 -2.547 4.555 1.00 0.34 H new ATOM 0 HB2 TYR A2084 0.514 -3.342 1.675 1.00 0.43 H new ATOM 0 HB3 TYR A2084 -0.071 -1.858 2.402 1.00 0.43 H new ATOM 0 HD1 TYR A2084 2.640 -3.358 0.690 1.00 1.13 H new ATOM 0 HD2 TYR A2084 1.787 -0.400 3.636 1.00 1.38 H new ATOM 0 HE1 TYR A2084 4.832 -2.328 0.287 1.00 1.15 H new ATOM 0 HE2 TYR A2084 3.971 0.641 3.221 1.00 1.44 H new ATOM 0 HH TYR A2084 5.677 0.508 0.841 1.00 0.76 H new ATOM 463 N THR A2085 -1.461 -4.246 4.585 1.00 0.39 N ATOM 464 CA THR A2085 -2.420 -5.324 4.772 1.00 0.40 C ATOM 465 C THR A2085 -3.852 -4.894 4.496 1.00 0.41 C ATOM 466 O THR A2085 -4.235 -3.741 4.730 1.00 0.49 O ATOM 467 CB THR A2085 -2.334 -5.887 6.201 1.00 0.46 C ATOM 468 OG1 THR A2085 -1.976 -4.842 7.111 1.00 0.63 O ATOM 469 CG2 THR A2085 -1.324 -7.016 6.288 1.00 0.57 C ATOM 0 H THR A2085 -1.681 -3.385 5.085 1.00 0.39 H new ATOM 0 HA THR A2085 -2.155 -6.094 4.048 1.00 0.40 H new ATOM 0 HB THR A2085 -3.312 -6.287 6.469 1.00 0.46 H new ATOM 0 HG1 THR A2085 -1.924 -5.204 8.020 1.00 0.63 H new ATOM 0 HG21 THR A2085 -1.286 -7.393 7.310 1.00 0.57 H new ATOM 0 HG22 THR A2085 -1.619 -7.821 5.615 1.00 0.57 H new ATOM 0 HG23 THR A2085 -0.340 -6.646 6.001 1.00 0.57 H new ATOM 477 N ILE A2086 -4.635 -5.832 3.987 1.00 0.39 N ATOM 478 CA ILE A2086 -6.058 -5.638 3.810 1.00 0.40 C ATOM 479 C ILE A2086 -6.799 -6.928 4.135 1.00 0.45 C ATOM 480 O ILE A2086 -6.464 -7.997 3.624 1.00 0.55 O ATOM 481 CB ILE A2086 -6.403 -5.157 2.374 1.00 0.47 C ATOM 482 CG1 ILE A2086 -7.928 -5.025 2.170 1.00 0.56 C ATOM 483 CG2 ILE A2086 -5.789 -6.077 1.323 1.00 0.57 C ATOM 484 CD1 ILE A2086 -8.615 -6.276 1.649 1.00 1.18 C ATOM 0 H ILE A2086 -4.299 -6.747 3.686 1.00 0.39 H new ATOM 0 HA ILE A2086 -6.378 -4.855 4.497 1.00 0.40 H new ATOM 0 HB ILE A2086 -5.968 -4.165 2.250 1.00 0.47 H new ATOM 0 HG12 ILE A2086 -8.384 -4.747 3.120 1.00 0.56 H new ATOM 0 HG13 ILE A2086 -8.117 -4.208 1.474 1.00 0.56 H new ATOM 0 HG21 ILE A2086 -6.047 -5.716 0.328 1.00 0.57 H new ATOM 0 HG22 ILE A2086 -4.705 -6.086 1.436 1.00 0.57 H new ATOM 0 HG23 ILE A2086 -6.176 -7.088 1.454 1.00 0.57 H new ATOM 0 HD11 ILE A2086 -9.683 -6.086 1.538 1.00 1.18 H new ATOM 0 HD12 ILE A2086 -8.193 -6.547 0.681 1.00 1.18 H new ATOM 0 HD13 ILE A2086 -8.464 -7.094 2.353 1.00 1.18 H new ATOM 496 N VAL A2087 -7.781 -6.835 5.014 1.00 0.49 N ATOM 497 CA VAL A2087 -8.635 -7.972 5.299 1.00 0.59 C ATOM 498 C VAL A2087 -9.970 -7.788 4.581 1.00 0.58 C ATOM 499 O VAL A2087 -10.426 -6.652 4.389 1.00 0.53 O ATOM 500 CB VAL A2087 -8.858 -8.177 6.817 1.00 0.73 C ATOM 501 CG1 VAL A2087 -7.526 -8.292 7.544 1.00 0.78 C ATOM 502 CG2 VAL A2087 -9.691 -7.058 7.409 1.00 0.80 C ATOM 0 H VAL A2087 -8.005 -5.990 5.539 1.00 0.49 H new ATOM 0 HA VAL A2087 -8.136 -8.870 4.934 1.00 0.59 H new ATOM 0 HB VAL A2087 -9.408 -9.109 6.949 1.00 0.73 H new ATOM 0 HG11 VAL A2087 -7.704 -8.436 8.610 1.00 0.78 H new ATOM 0 HG12 VAL A2087 -6.969 -9.143 7.151 1.00 0.78 H new ATOM 0 HG13 VAL A2087 -6.949 -7.380 7.392 1.00 0.78 H new ATOM 0 HG21 VAL A2087 -9.829 -7.232 8.476 1.00 0.80 H new ATOM 0 HG22 VAL A2087 -9.181 -6.106 7.260 1.00 0.80 H new ATOM 0 HG23 VAL A2087 -10.663 -7.029 6.917 1.00 0.80 H new ATOM 512 N PRO A2088 -10.605 -8.901 4.165 1.00 0.66 N ATOM 513 CA PRO A2088 -11.802 -8.887 3.300 1.00 0.68 C ATOM 514 C PRO A2088 -13.009 -8.172 3.907 1.00 0.66 C ATOM 515 O PRO A2088 -14.066 -8.104 3.281 1.00 0.69 O ATOM 516 CB PRO A2088 -12.123 -10.371 3.094 1.00 0.81 C ATOM 517 CG PRO A2088 -10.862 -11.089 3.422 1.00 0.97 C ATOM 518 CD PRO A2088 -10.203 -10.279 4.497 1.00 0.78 C ATOM 0 HA PRO A2088 -11.598 -8.335 2.382 1.00 0.68 H new ATOM 0 HB2 PRO A2088 -12.939 -10.691 3.742 1.00 0.81 H new ATOM 0 HB3 PRO A2088 -12.434 -10.568 2.068 1.00 0.81 H new ATOM 0 HG2 PRO A2088 -11.067 -12.103 3.765 1.00 0.97 H new ATOM 0 HG3 PRO A2088 -10.220 -11.173 2.545 1.00 0.97 H new ATOM 0 HD2 PRO A2088 -10.545 -10.571 5.490 1.00 0.78 H new ATOM 0 HD3 PRO A2088 -9.120 -10.398 4.485 1.00 0.78 H new ATOM 526 N ASP A2089 -12.862 -7.645 5.117 1.00 0.67 N ATOM 527 CA ASP A2089 -13.919 -6.856 5.733 1.00 0.73 C ATOM 528 C ASP A2089 -14.030 -5.511 5.034 1.00 0.66 C ATOM 529 O ASP A2089 -15.055 -4.836 5.117 1.00 0.73 O ATOM 530 CB ASP A2089 -13.653 -6.640 7.225 1.00 0.85 C ATOM 531 CG ASP A2089 -13.726 -7.922 8.027 1.00 1.59 C ATOM 532 OD1 ASP A2089 -14.848 -8.359 8.358 1.00 2.29 O ATOM 533 OD2 ASP A2089 -12.661 -8.494 8.342 1.00 2.26 O ATOM 0 H ASP A2089 -12.024 -7.750 5.688 1.00 0.67 H new ATOM 0 HA ASP A2089 -14.855 -7.404 5.629 1.00 0.73 H new ATOM 0 HB2 ASP A2089 -12.667 -6.193 7.352 1.00 0.85 H new ATOM 0 HB3 ASP A2089 -14.379 -5.929 7.619 1.00 0.85 H new ATOM 538 N GLY A2090 -12.962 -5.125 4.346 1.00 0.59 N ATOM 539 CA GLY A2090 -12.954 -3.870 3.623 1.00 0.63 C ATOM 540 C GLY A2090 -12.126 -2.812 4.319 1.00 0.70 C ATOM 541 O GLY A2090 -12.260 -1.625 4.032 1.00 0.83 O ATOM 0 H GLY A2090 -12.098 -5.663 4.277 1.00 0.59 H new ATOM 0 HA2 GLY A2090 -12.561 -4.034 2.620 1.00 0.63 H new ATOM 0 HA3 GLY A2090 -13.977 -3.512 3.510 1.00 0.63 H new ATOM 545 N THR A2091 -11.268 -3.238 5.234 1.00 0.70 N ATOM 546 CA THR A2091 -10.431 -2.309 5.978 1.00 0.79 C ATOM 547 C THR A2091 -8.963 -2.493 5.601 1.00 0.60 C ATOM 548 O THR A2091 -8.471 -3.621 5.478 1.00 0.59 O ATOM 549 CB THR A2091 -10.627 -2.462 7.505 1.00 1.05 C ATOM 550 OG1 THR A2091 -9.753 -1.576 8.214 1.00 1.51 O ATOM 551 CG2 THR A2091 -10.376 -3.891 7.954 1.00 0.86 C ATOM 0 H THR A2091 -11.133 -4.219 5.479 1.00 0.70 H new ATOM 0 HA THR A2091 -10.737 -1.298 5.708 1.00 0.79 H new ATOM 0 HB THR A2091 -11.662 -2.206 7.730 1.00 1.05 H new ATOM 0 HG1 THR A2091 -9.890 -1.684 9.178 1.00 1.51 H new ATOM 0 HG21 THR A2091 -10.522 -3.965 9.032 1.00 0.86 H new ATOM 0 HG22 THR A2091 -11.072 -4.559 7.447 1.00 0.86 H new ATOM 0 HG23 THR A2091 -9.354 -4.176 7.706 1.00 0.86 H new ATOM 559 N VAL A2092 -8.272 -1.379 5.396 1.00 0.60 N ATOM 560 CA VAL A2092 -6.910 -1.406 4.887 1.00 0.54 C ATOM 561 C VAL A2092 -5.985 -0.562 5.755 1.00 0.55 C ATOM 562 O VAL A2092 -6.423 0.398 6.392 1.00 0.78 O ATOM 563 CB VAL A2092 -6.849 -0.859 3.443 1.00 0.79 C ATOM 564 CG1 VAL A2092 -5.514 -1.191 2.800 1.00 1.02 C ATOM 565 CG2 VAL A2092 -8.003 -1.386 2.603 1.00 1.18 C ATOM 0 H VAL A2092 -8.635 -0.443 5.576 1.00 0.60 H new ATOM 0 HA VAL A2092 -6.584 -2.446 4.904 1.00 0.54 H new ATOM 0 HB VAL A2092 -6.945 0.226 3.492 1.00 0.79 H new ATOM 0 HG11 VAL A2092 -5.492 -0.797 1.784 1.00 1.02 H new ATOM 0 HG12 VAL A2092 -4.709 -0.742 3.381 1.00 1.02 H new ATOM 0 HG13 VAL A2092 -5.382 -2.273 2.773 1.00 1.02 H new ATOM 0 HG21 VAL A2092 -7.932 -0.983 1.593 1.00 1.18 H new ATOM 0 HG22 VAL A2092 -7.957 -2.474 2.563 1.00 1.18 H new ATOM 0 HG23 VAL A2092 -8.948 -1.079 3.050 1.00 1.18 H new ATOM 575 N THR A2093 -4.709 -0.922 5.778 1.00 0.47 N ATOM 576 CA THR A2093 -3.704 -0.113 6.439 1.00 0.53 C ATOM 577 C THR A2093 -2.402 -0.118 5.630 1.00 0.44 C ATOM 578 O THR A2093 -1.855 -1.175 5.296 1.00 0.41 O ATOM 579 CB THR A2093 -3.456 -0.581 7.898 1.00 0.71 C ATOM 580 OG1 THR A2093 -2.513 0.280 8.552 1.00 1.46 O ATOM 581 CG2 THR A2093 -2.957 -2.016 7.953 1.00 0.71 C ATOM 0 H THR A2093 -4.348 -1.772 5.344 1.00 0.47 H new ATOM 0 HA THR A2093 -4.078 0.909 6.491 1.00 0.53 H new ATOM 0 HB THR A2093 -4.413 -0.532 8.417 1.00 0.71 H new ATOM 0 HG1 THR A2093 -1.603 -0.035 8.372 1.00 1.46 H new ATOM 0 HG21 THR A2093 -2.796 -2.306 8.991 1.00 0.71 H new ATOM 0 HG22 THR A2093 -3.698 -2.676 7.503 1.00 0.71 H new ATOM 0 HG23 THR A2093 -2.019 -2.096 7.404 1.00 0.71 H new ATOM 589 N PHE A2094 -1.941 1.072 5.269 1.00 0.46 N ATOM 590 CA PHE A2094 -0.685 1.229 4.552 1.00 0.42 C ATOM 591 C PHE A2094 0.399 1.601 5.552 1.00 0.43 C ATOM 592 O PHE A2094 0.500 2.763 5.944 1.00 0.52 O ATOM 593 CB PHE A2094 -0.784 2.334 3.472 1.00 0.51 C ATOM 594 CG PHE A2094 -1.756 2.060 2.344 1.00 0.47 C ATOM 595 CD1 PHE A2094 -2.139 3.079 1.466 1.00 1.21 C ATOM 596 CD2 PHE A2094 -2.282 0.794 2.148 1.00 1.26 C ATOM 597 CE1 PHE A2094 -3.016 2.828 0.432 1.00 1.23 C ATOM 598 CE2 PHE A2094 -3.161 0.546 1.115 1.00 1.27 C ATOM 599 CZ PHE A2094 -3.527 1.563 0.256 1.00 0.55 C ATOM 0 H PHE A2094 -2.424 1.949 5.464 1.00 0.46 H new ATOM 0 HA PHE A2094 -0.448 0.290 4.052 1.00 0.42 H new ATOM 0 HB2 PHE A2094 -1.072 3.267 3.957 1.00 0.51 H new ATOM 0 HB3 PHE A2094 0.207 2.489 3.045 1.00 0.51 H new ATOM 0 HD1 PHE A2094 -1.743 4.075 1.600 1.00 1.21 H new ATOM 0 HD2 PHE A2094 -2.000 -0.009 2.813 1.00 1.26 H new ATOM 0 HE1 PHE A2094 -3.302 3.624 -0.239 1.00 1.23 H new ATOM 0 HE2 PHE A2094 -3.564 -0.446 0.977 1.00 1.27 H new ATOM 0 HZ PHE A2094 -4.214 1.366 -0.554 1.00 0.55 H new ATOM 609 N THR A2095 1.198 0.631 5.989 1.00 0.37 N ATOM 610 CA THR A2095 2.245 0.924 6.954 1.00 0.39 C ATOM 611 C THR A2095 3.633 0.666 6.365 1.00 0.37 C ATOM 612 O THR A2095 4.170 -0.439 6.466 1.00 0.37 O ATOM 613 CB THR A2095 2.063 0.088 8.235 1.00 0.47 C ATOM 614 OG1 THR A2095 0.693 0.149 8.659 1.00 0.58 O ATOM 615 CG2 THR A2095 2.961 0.602 9.352 1.00 0.58 C ATOM 0 H THR A2095 1.141 -0.344 5.696 1.00 0.37 H new ATOM 0 HA THR A2095 2.165 1.982 7.206 1.00 0.39 H new ATOM 0 HB THR A2095 2.338 -0.943 8.014 1.00 0.47 H new ATOM 0 HG1 THR A2095 0.578 -0.385 9.473 1.00 0.58 H new ATOM 0 HG21 THR A2095 2.814 -0.005 10.245 1.00 0.58 H new ATOM 0 HG22 THR A2095 4.003 0.540 9.039 1.00 0.58 H new ATOM 0 HG23 THR A2095 2.710 1.639 9.573 1.00 0.58 H new ATOM 623 N PRO A2096 4.212 1.680 5.704 1.00 0.50 N ATOM 624 CA PRO A2096 5.575 1.639 5.209 1.00 0.61 C ATOM 625 C PRO A2096 6.569 2.215 6.212 1.00 0.69 C ATOM 626 O PRO A2096 6.261 3.184 6.914 1.00 0.81 O ATOM 627 CB PRO A2096 5.516 2.523 3.959 1.00 0.88 C ATOM 628 CG PRO A2096 4.273 3.359 4.090 1.00 0.98 C ATOM 629 CD PRO A2096 3.581 2.958 5.371 1.00 0.69 C ATOM 0 HA PRO A2096 5.913 0.620 5.019 1.00 0.61 H new ATOM 0 HB2 PRO A2096 6.402 3.153 3.887 1.00 0.88 H new ATOM 0 HB3 PRO A2096 5.482 1.915 3.055 1.00 0.88 H new ATOM 0 HG2 PRO A2096 4.526 4.419 4.108 1.00 0.98 H new ATOM 0 HG3 PRO A2096 3.615 3.202 3.235 1.00 0.98 H new ATOM 0 HD2 PRO A2096 3.729 3.698 6.158 1.00 0.69 H new ATOM 0 HD3 PRO A2096 2.505 2.852 5.232 1.00 0.69 H new ATOM 637 N ASP A2097 7.751 1.631 6.284 1.00 0.89 N ATOM 638 CA ASP A2097 8.814 2.203 7.094 1.00 1.14 C ATOM 639 C ASP A2097 9.607 3.192 6.255 1.00 1.37 C ATOM 640 O ASP A2097 10.552 2.821 5.563 1.00 1.39 O ATOM 641 CB ASP A2097 9.745 1.123 7.654 1.00 1.24 C ATOM 642 CG ASP A2097 10.747 1.690 8.645 1.00 2.06 C ATOM 643 OD1 ASP A2097 11.725 0.987 8.985 1.00 2.61 O ATOM 644 OD2 ASP A2097 10.555 2.839 9.105 1.00 2.72 O ATOM 0 H ASP A2097 7.999 0.770 5.797 1.00 0.89 H new ATOM 0 HA ASP A2097 8.360 2.714 7.943 1.00 1.14 H new ATOM 0 HB2 ASP A2097 9.151 0.350 8.142 1.00 1.24 H new ATOM 0 HB3 ASP A2097 10.279 0.644 6.833 1.00 1.24 H new ATOM 649 N LYS A2098 9.210 4.458 6.316 1.00 1.89 N ATOM 650 CA LYS A2098 9.835 5.495 5.502 1.00 2.37 C ATOM 651 C LYS A2098 11.200 5.884 6.056 1.00 2.32 C ATOM 652 O LYS A2098 11.897 6.726 5.488 1.00 2.66 O ATOM 653 CB LYS A2098 8.928 6.725 5.399 1.00 3.03 C ATOM 654 CG LYS A2098 8.487 7.285 6.743 1.00 3.48 C ATOM 655 CD LYS A2098 7.657 8.550 6.579 1.00 4.03 C ATOM 656 CE LYS A2098 6.436 8.315 5.705 1.00 4.43 C ATOM 657 NZ LYS A2098 5.581 9.525 5.607 1.00 4.81 N ATOM 0 H LYS A2098 8.459 4.791 6.920 1.00 1.89 H new ATOM 0 HA LYS A2098 9.981 5.088 4.501 1.00 2.37 H new ATOM 0 HB2 LYS A2098 9.453 7.505 4.847 1.00 3.03 H new ATOM 0 HB3 LYS A2098 8.043 6.463 4.818 1.00 3.03 H new ATOM 0 HG2 LYS A2098 7.905 6.534 7.277 1.00 3.48 H new ATOM 0 HG3 LYS A2098 9.364 7.501 7.353 1.00 3.48 H new ATOM 0 HD2 LYS A2098 7.339 8.906 7.559 1.00 4.03 H new ATOM 0 HD3 LYS A2098 8.273 9.334 6.139 1.00 4.03 H new ATOM 0 HE2 LYS A2098 6.757 8.016 4.707 1.00 4.43 H new ATOM 0 HE3 LYS A2098 5.852 7.490 6.113 1.00 4.43 H new ATOM 0 HZ1 LYS A2098 4.760 9.322 5.002 1.00 4.81 H new ATOM 0 HZ2 LYS A2098 5.253 9.796 6.556 1.00 4.81 H new ATOM 0 HZ3 LYS A2098 6.130 10.306 5.194 1.00 4.81 H new ATOM 671 N GLN A2099 11.581 5.267 7.167 1.00 2.03 N ATOM 672 CA GLN A2099 12.911 5.451 7.717 1.00 2.09 C ATOM 673 C GLN A2099 13.887 4.538 6.981 1.00 1.67 C ATOM 674 O GLN A2099 15.106 4.720 7.039 1.00 1.81 O ATOM 675 CB GLN A2099 12.918 5.146 9.216 1.00 2.41 C ATOM 676 CG GLN A2099 11.916 5.975 10.007 1.00 2.99 C ATOM 677 CD GLN A2099 11.942 5.682 11.496 1.00 3.86 C ATOM 678 OE1 GLN A2099 10.918 5.765 12.173 1.00 4.40 O ATOM 679 NE2 GLN A2099 13.112 5.360 12.022 1.00 4.42 N ATOM 0 H GLN A2099 10.985 4.635 7.703 1.00 2.03 H new ATOM 0 HA GLN A2099 13.217 6.489 7.584 1.00 2.09 H new ATOM 0 HB2 GLN A2099 12.701 4.088 9.365 1.00 2.41 H new ATOM 0 HB3 GLN A2099 13.918 5.325 9.611 1.00 2.41 H new ATOM 0 HG2 GLN A2099 12.123 7.033 9.848 1.00 2.99 H new ATOM 0 HG3 GLN A2099 10.914 5.785 9.623 1.00 2.99 H new ATOM 0 HE21 GLN A2099 13.939 5.301 11.428 1.00 4.42 H new ATOM 0 HE22 GLN A2099 13.187 5.171 13.021 1.00 4.42 H new ATOM 688 N PHE A2100 13.325 3.563 6.281 1.00 1.40 N ATOM 689 CA PHE A2100 14.092 2.634 5.473 1.00 1.20 C ATOM 690 C PHE A2100 14.033 3.056 4.012 1.00 1.31 C ATOM 691 O PHE A2100 12.983 2.976 3.375 1.00 1.72 O ATOM 692 CB PHE A2100 13.530 1.219 5.640 1.00 1.32 C ATOM 693 CG PHE A2100 14.197 0.175 4.787 1.00 1.46 C ATOM 694 CD1 PHE A2100 15.346 -0.461 5.221 1.00 1.93 C ATOM 695 CD2 PHE A2100 13.662 -0.179 3.557 1.00 2.04 C ATOM 696 CE1 PHE A2100 15.951 -1.431 4.445 1.00 2.23 C ATOM 697 CE2 PHE A2100 14.264 -1.146 2.776 1.00 2.36 C ATOM 698 CZ PHE A2100 15.410 -1.774 3.222 1.00 2.18 C ATOM 0 H PHE A2100 12.319 3.396 6.259 1.00 1.40 H new ATOM 0 HA PHE A2100 15.132 2.641 5.800 1.00 1.20 H new ATOM 0 HB2 PHE A2100 13.622 0.927 6.686 1.00 1.32 H new ATOM 0 HB3 PHE A2100 12.466 1.235 5.406 1.00 1.32 H new ATOM 0 HD1 PHE A2100 15.775 -0.197 6.176 1.00 1.93 H new ATOM 0 HD2 PHE A2100 12.764 0.307 3.206 1.00 2.04 H new ATOM 0 HE1 PHE A2100 16.847 -1.921 4.795 1.00 2.23 H new ATOM 0 HE2 PHE A2100 13.839 -1.410 1.819 1.00 2.36 H new ATOM 0 HZ PHE A2100 15.882 -2.532 2.615 1.00 2.18 H new ATOM 708 N VAL A2101 15.152 3.519 3.485 1.00 1.55 N ATOM 709 CA VAL A2101 15.200 3.953 2.104 1.00 1.92 C ATOM 710 C VAL A2101 16.544 3.615 1.458 1.00 2.31 C ATOM 711 O VAL A2101 17.556 4.291 1.664 1.00 2.68 O ATOM 712 CB VAL A2101 14.882 5.461 1.968 1.00 2.35 C ATOM 713 CG1 VAL A2101 15.707 6.291 2.943 1.00 2.67 C ATOM 714 CG2 VAL A2101 15.102 5.925 0.536 1.00 2.45 C ATOM 0 H VAL A2101 16.034 3.603 3.990 1.00 1.55 H new ATOM 0 HA VAL A2101 14.426 3.404 1.568 1.00 1.92 H new ATOM 0 HB VAL A2101 13.832 5.608 2.219 1.00 2.35 H new ATOM 0 HG11 VAL A2101 15.460 7.346 2.822 1.00 2.67 H new ATOM 0 HG12 VAL A2101 15.484 5.981 3.964 1.00 2.67 H new ATOM 0 HG13 VAL A2101 16.768 6.141 2.741 1.00 2.67 H new ATOM 0 HG21 VAL A2101 14.874 6.988 0.459 1.00 2.45 H new ATOM 0 HG22 VAL A2101 16.141 5.756 0.254 1.00 2.45 H new ATOM 0 HG23 VAL A2101 14.449 5.364 -0.133 1.00 2.45 H new ATOM 724 N GLY A2102 16.536 2.541 0.689 1.00 2.55 N ATOM 725 CA GLY A2102 17.702 2.138 -0.063 1.00 3.15 C ATOM 726 C GLY A2102 17.294 1.389 -1.305 1.00 3.22 C ATOM 727 O GLY A2102 17.280 1.947 -2.402 1.00 3.84 O ATOM 0 H GLY A2102 15.727 1.931 0.571 1.00 2.55 H new ATOM 0 HA2 GLY A2102 18.288 3.016 -0.336 1.00 3.15 H new ATOM 0 HA3 GLY A2102 18.341 1.508 0.555 1.00 3.15 H new ATOM 731 N LYS A2103 16.927 0.129 -1.133 1.00 2.91 N ATOM 732 CA LYS A2103 16.374 -0.653 -2.228 1.00 3.06 C ATOM 733 C LYS A2103 15.063 -1.326 -1.811 1.00 2.39 C ATOM 734 O LYS A2103 15.009 -2.540 -1.612 1.00 2.33 O ATOM 735 CB LYS A2103 17.390 -1.688 -2.731 1.00 3.80 C ATOM 736 CG LYS A2103 17.947 -2.602 -1.651 1.00 4.59 C ATOM 737 CD LYS A2103 18.895 -3.632 -2.239 1.00 5.33 C ATOM 738 CE LYS A2103 19.452 -4.554 -1.168 1.00 6.21 C ATOM 739 NZ LYS A2103 20.412 -5.541 -1.728 1.00 6.78 N ATOM 0 H LYS A2103 17.002 -0.373 -0.248 1.00 2.91 H new ATOM 0 HA LYS A2103 16.154 0.027 -3.051 1.00 3.06 H new ATOM 0 HB2 LYS A2103 16.916 -2.300 -3.498 1.00 3.80 H new ATOM 0 HB3 LYS A2103 18.218 -1.164 -3.208 1.00 3.80 H new ATOM 0 HG2 LYS A2103 18.471 -2.008 -0.902 1.00 4.59 H new ATOM 0 HG3 LYS A2103 17.127 -3.108 -1.141 1.00 4.59 H new ATOM 0 HD2 LYS A2103 18.371 -4.222 -2.991 1.00 5.33 H new ATOM 0 HD3 LYS A2103 19.716 -3.125 -2.746 1.00 5.33 H new ATOM 0 HE2 LYS A2103 19.949 -3.960 -0.401 1.00 6.21 H new ATOM 0 HE3 LYS A2103 18.632 -5.082 -0.681 1.00 6.21 H new ATOM 0 HZ1 LYS A2103 20.768 -6.150 -0.964 1.00 6.78 H new ATOM 0 HZ2 LYS A2103 19.932 -6.125 -2.442 1.00 6.78 H new ATOM 0 HZ3 LYS A2103 21.208 -5.039 -2.170 1.00 6.78 H new ATOM 753 N PRO A2104 13.985 -0.537 -1.658 1.00 2.06 N ATOM 754 CA PRO A2104 12.655 -1.074 -1.348 1.00 1.50 C ATOM 755 C PRO A2104 12.175 -2.013 -2.447 1.00 1.35 C ATOM 756 O PRO A2104 12.522 -1.838 -3.614 1.00 1.62 O ATOM 757 CB PRO A2104 11.766 0.177 -1.284 1.00 1.62 C ATOM 758 CG PRO A2104 12.708 1.305 -1.050 1.00 2.21 C ATOM 759 CD PRO A2104 13.966 0.931 -1.775 1.00 2.43 C ATOM 0 HA PRO A2104 12.642 -1.657 -0.427 1.00 1.50 H new ATOM 0 HB2 PRO A2104 11.209 0.313 -2.211 1.00 1.62 H new ATOM 0 HB3 PRO A2104 11.034 0.101 -0.480 1.00 1.62 H new ATOM 0 HG2 PRO A2104 12.300 2.242 -1.429 1.00 2.21 H new ATOM 0 HG3 PRO A2104 12.895 1.446 0.015 1.00 2.21 H new ATOM 0 HD2 PRO A2104 13.944 1.254 -2.816 1.00 2.43 H new ATOM 0 HD3 PRO A2104 14.846 1.385 -1.319 1.00 2.43 H new ATOM 767 N ASP A2105 11.387 -3.009 -2.081 1.00 1.04 N ATOM 768 CA ASP A2105 10.908 -3.976 -3.056 1.00 0.98 C ATOM 769 C ASP A2105 9.805 -3.352 -3.892 1.00 0.79 C ATOM 770 O ASP A2105 8.897 -2.705 -3.352 1.00 0.78 O ATOM 771 CB ASP A2105 10.400 -5.243 -2.370 1.00 1.06 C ATOM 772 CG ASP A2105 10.175 -6.385 -3.340 1.00 1.66 C ATOM 773 OD1 ASP A2105 9.023 -6.600 -3.774 1.00 2.16 O ATOM 774 OD2 ASP A2105 11.152 -7.092 -3.663 1.00 2.33 O ATOM 0 H ASP A2105 11.067 -3.170 -1.126 1.00 1.04 H new ATOM 0 HA ASP A2105 11.739 -4.257 -3.704 1.00 0.98 H new ATOM 0 HB2 ASP A2105 11.118 -5.553 -1.611 1.00 1.06 H new ATOM 0 HB3 ASP A2105 9.466 -5.022 -1.853 1.00 1.06 H new ATOM 779 N PRO A2106 9.888 -3.515 -5.221 1.00 0.77 N ATOM 780 CA PRO A2106 8.939 -2.916 -6.158 1.00 0.73 C ATOM 781 C PRO A2106 7.530 -3.473 -6.002 1.00 0.61 C ATOM 782 O PRO A2106 7.246 -4.611 -6.387 1.00 0.74 O ATOM 783 CB PRO A2106 9.509 -3.269 -7.534 1.00 0.87 C ATOM 784 CG PRO A2106 10.381 -4.452 -7.304 1.00 1.03 C ATOM 785 CD PRO A2106 10.924 -4.303 -5.913 1.00 0.93 C ATOM 0 HA PRO A2106 8.836 -1.844 -5.992 1.00 0.73 H new ATOM 0 HB2 PRO A2106 8.713 -3.498 -8.243 1.00 0.87 H new ATOM 0 HB3 PRO A2106 10.076 -2.437 -7.950 1.00 0.87 H new ATOM 0 HG2 PRO A2106 9.816 -5.379 -7.405 1.00 1.03 H new ATOM 0 HG3 PRO A2106 11.188 -4.490 -8.036 1.00 1.03 H new ATOM 0 HD2 PRO A2106 11.077 -5.271 -5.436 1.00 0.93 H new ATOM 0 HD3 PRO A2106 11.886 -3.791 -5.911 1.00 0.93 H new ATOM 793 N VAL A2107 6.658 -2.668 -5.422 1.00 0.48 N ATOM 794 CA VAL A2107 5.270 -3.041 -5.247 1.00 0.37 C ATOM 795 C VAL A2107 4.371 -1.811 -5.334 1.00 0.35 C ATOM 796 O VAL A2107 4.674 -0.757 -4.765 1.00 0.60 O ATOM 797 CB VAL A2107 5.033 -3.770 -3.901 1.00 0.41 C ATOM 798 CG1 VAL A2107 5.402 -2.888 -2.716 1.00 0.54 C ATOM 799 CG2 VAL A2107 3.589 -4.239 -3.794 1.00 0.46 C ATOM 0 H VAL A2107 6.892 -1.743 -5.062 1.00 0.48 H new ATOM 0 HA VAL A2107 5.018 -3.732 -6.052 1.00 0.37 H new ATOM 0 HB VAL A2107 5.685 -4.643 -3.877 1.00 0.41 H new ATOM 0 HG11 VAL A2107 5.223 -3.431 -1.788 1.00 0.54 H new ATOM 0 HG12 VAL A2107 6.455 -2.615 -2.779 1.00 0.54 H new ATOM 0 HG13 VAL A2107 4.792 -1.985 -2.731 1.00 0.54 H new ATOM 0 HG21 VAL A2107 3.442 -4.749 -2.842 1.00 0.46 H new ATOM 0 HG22 VAL A2107 2.922 -3.379 -3.852 1.00 0.46 H new ATOM 0 HG23 VAL A2107 3.368 -4.926 -4.611 1.00 0.46 H new ATOM 809 N THR A2108 3.290 -1.939 -6.081 1.00 0.32 N ATOM 810 CA THR A2108 2.291 -0.898 -6.155 1.00 0.30 C ATOM 811 C THR A2108 1.019 -1.344 -5.449 1.00 0.30 C ATOM 812 O THR A2108 0.497 -2.432 -5.697 1.00 0.33 O ATOM 813 CB THR A2108 1.975 -0.519 -7.615 1.00 0.33 C ATOM 814 OG1 THR A2108 3.143 0.036 -8.232 1.00 0.37 O ATOM 815 CG2 THR A2108 0.819 0.478 -7.694 1.00 0.35 C ATOM 0 H THR A2108 3.084 -2.762 -6.648 1.00 0.32 H new ATOM 0 HA THR A2108 2.693 -0.015 -5.658 1.00 0.30 H new ATOM 0 HB THR A2108 1.674 -1.423 -8.145 1.00 0.33 H new ATOM 0 HG1 THR A2108 2.940 0.275 -9.161 1.00 0.37 H new ATOM 0 HG21 THR A2108 0.622 0.724 -8.737 1.00 0.35 H new ATOM 0 HG22 THR A2108 -0.073 0.036 -7.250 1.00 0.35 H new ATOM 0 HG23 THR A2108 1.083 1.385 -7.151 1.00 0.35 H new ATOM 823 N VAL A2109 0.542 -0.511 -4.551 1.00 0.38 N ATOM 824 CA VAL A2109 -0.697 -0.779 -3.854 1.00 0.46 C ATOM 825 C VAL A2109 -1.840 -0.146 -4.631 1.00 0.52 C ATOM 826 O VAL A2109 -1.859 1.063 -4.801 1.00 0.61 O ATOM 827 CB VAL A2109 -0.663 -0.197 -2.427 1.00 0.60 C ATOM 828 CG1 VAL A2109 -1.838 -0.716 -1.620 1.00 0.76 C ATOM 829 CG2 VAL A2109 0.665 -0.513 -1.739 1.00 0.61 C ATOM 0 H VAL A2109 0.996 0.363 -4.285 1.00 0.38 H new ATOM 0 HA VAL A2109 -0.836 -1.858 -3.780 1.00 0.46 H new ATOM 0 HB VAL A2109 -0.747 0.888 -2.493 1.00 0.60 H new ATOM 0 HG11 VAL A2109 -1.802 -0.297 -0.614 1.00 0.76 H new ATOM 0 HG12 VAL A2109 -2.770 -0.421 -2.103 1.00 0.76 H new ATOM 0 HG13 VAL A2109 -1.788 -1.803 -1.562 1.00 0.76 H new ATOM 0 HG21 VAL A2109 0.663 -0.091 -0.734 1.00 0.61 H new ATOM 0 HG22 VAL A2109 0.796 -1.593 -1.679 1.00 0.61 H new ATOM 0 HG23 VAL A2109 1.484 -0.080 -2.313 1.00 0.61 H new ATOM 839 N LYS A2110 -2.780 -0.949 -5.115 1.00 0.53 N ATOM 840 CA LYS A2110 -3.813 -0.432 -6.003 1.00 0.63 C ATOM 841 C LYS A2110 -5.203 -0.760 -5.470 1.00 0.70 C ATOM 842 O LYS A2110 -5.643 -1.904 -5.517 1.00 0.99 O ATOM 843 CB LYS A2110 -3.637 -1.026 -7.407 1.00 0.67 C ATOM 844 CG LYS A2110 -4.097 -0.116 -8.547 1.00 0.85 C ATOM 845 CD LYS A2110 -5.575 0.248 -8.458 1.00 1.03 C ATOM 846 CE LYS A2110 -6.482 -0.971 -8.573 1.00 1.11 C ATOM 847 NZ LYS A2110 -6.317 -1.678 -9.869 1.00 1.63 N ATOM 0 H LYS A2110 -2.848 -1.946 -4.911 1.00 0.53 H new ATOM 0 HA LYS A2110 -3.713 0.652 -6.053 1.00 0.63 H new ATOM 0 HB2 LYS A2110 -2.585 -1.268 -7.555 1.00 0.67 H new ATOM 0 HB3 LYS A2110 -4.190 -1.963 -7.462 1.00 0.67 H new ATOM 0 HG2 LYS A2110 -3.502 0.797 -8.538 1.00 0.85 H new ATOM 0 HG3 LYS A2110 -3.907 -0.611 -9.499 1.00 0.85 H new ATOM 0 HD2 LYS A2110 -5.766 0.751 -7.510 1.00 1.03 H new ATOM 0 HD3 LYS A2110 -5.820 0.956 -9.250 1.00 1.03 H new ATOM 0 HE2 LYS A2110 -6.266 -1.660 -7.756 1.00 1.11 H new ATOM 0 HE3 LYS A2110 -7.521 -0.660 -8.461 1.00 1.11 H new ATOM 0 HZ1 LYS A2110 -7.066 -2.392 -9.973 1.00 1.63 H new ATOM 0 HZ2 LYS A2110 -6.381 -0.993 -10.649 1.00 1.63 H new ATOM 0 HZ3 LYS A2110 -5.388 -2.145 -9.894 1.00 1.63 H new ATOM 861 N ARG A2111 -5.899 0.256 -4.988 1.00 0.52 N ATOM 862 CA ARG A2111 -7.269 0.092 -4.531 1.00 0.54 C ATOM 863 C ARG A2111 -8.001 1.418 -4.617 1.00 0.44 C ATOM 864 O ARG A2111 -7.370 2.471 -4.631 1.00 0.47 O ATOM 865 CB ARG A2111 -7.290 -0.440 -3.101 1.00 0.62 C ATOM 866 CG ARG A2111 -6.529 0.418 -2.112 1.00 0.62 C ATOM 867 CD ARG A2111 -6.263 -0.331 -0.823 1.00 0.87 C ATOM 868 NE ARG A2111 -5.231 -1.355 -0.998 1.00 1.86 N ATOM 869 CZ ARG A2111 -5.284 -2.569 -0.459 1.00 2.47 C ATOM 870 NH1 ARG A2111 -6.347 -2.939 0.232 1.00 2.41 N ATOM 871 NH2 ARG A2111 -4.281 -3.419 -0.629 1.00 3.47 N ATOM 0 H ARG A2111 -5.537 1.206 -4.903 1.00 0.52 H new ATOM 0 HA ARG A2111 -7.774 -0.631 -5.172 1.00 0.54 H new ATOM 0 HB2 ARG A2111 -8.325 -0.525 -2.771 1.00 0.62 H new ATOM 0 HB3 ARG A2111 -6.870 -1.446 -3.092 1.00 0.62 H new ATOM 0 HG2 ARG A2111 -5.584 0.733 -2.553 1.00 0.62 H new ATOM 0 HG3 ARG A2111 -7.099 1.322 -1.898 1.00 0.62 H new ATOM 0 HD2 ARG A2111 -5.951 0.372 -0.051 1.00 0.87 H new ATOM 0 HD3 ARG A2111 -7.185 -0.798 -0.476 1.00 0.87 H new ATOM 0 HE ARG A2111 -4.419 -1.122 -1.570 1.00 1.86 H new ATOM 0 HH11 ARG A2111 -7.127 -2.293 0.352 1.00 2.41 H new ATOM 0 HH12 ARG A2111 -6.388 -3.871 0.646 1.00 2.41 H new ATOM 0 HH21 ARG A2111 -3.465 -3.142 -1.175 1.00 3.47 H new ATOM 0 HH22 ARG A2111 -4.325 -4.350 -0.214 1.00 3.47 H new ATOM 885 N VAL A2112 -9.322 1.374 -4.687 1.00 0.35 N ATOM 886 CA VAL A2112 -10.095 2.604 -4.835 1.00 0.28 C ATOM 887 C VAL A2112 -10.916 2.907 -3.587 1.00 0.25 C ATOM 888 O VAL A2112 -11.323 2.001 -2.858 1.00 0.29 O ATOM 889 CB VAL A2112 -11.027 2.554 -6.066 1.00 0.31 C ATOM 890 CG1 VAL A2112 -10.216 2.409 -7.345 1.00 0.40 C ATOM 891 CG2 VAL A2112 -12.040 1.426 -5.944 1.00 0.32 C ATOM 0 H VAL A2112 -9.876 0.519 -4.645 1.00 0.35 H new ATOM 0 HA VAL A2112 -9.370 3.404 -4.981 1.00 0.28 H new ATOM 0 HB VAL A2112 -11.577 3.494 -6.109 1.00 0.31 H new ATOM 0 HG11 VAL A2112 -10.890 2.376 -8.201 1.00 0.40 H new ATOM 0 HG12 VAL A2112 -9.542 3.259 -7.447 1.00 0.40 H new ATOM 0 HG13 VAL A2112 -9.635 1.488 -7.305 1.00 0.40 H new ATOM 0 HG21 VAL A2112 -12.682 1.416 -6.825 1.00 0.32 H new ATOM 0 HG22 VAL A2112 -11.516 0.473 -5.866 1.00 0.32 H new ATOM 0 HG23 VAL A2112 -12.649 1.579 -5.053 1.00 0.32 H new ATOM 901 N ASP A2113 -11.126 4.194 -3.336 1.00 0.26 N ATOM 902 CA ASP A2113 -11.946 4.641 -2.215 1.00 0.31 C ATOM 903 C ASP A2113 -13.399 4.822 -2.646 1.00 0.33 C ATOM 904 O ASP A2113 -13.777 4.416 -3.747 1.00 0.34 O ATOM 905 CB ASP A2113 -11.403 5.949 -1.620 1.00 0.40 C ATOM 906 CG ASP A2113 -11.288 7.078 -2.633 1.00 0.55 C ATOM 907 OD1 ASP A2113 -12.253 7.324 -3.386 1.00 0.85 O ATOM 908 OD2 ASP A2113 -10.236 7.743 -2.661 1.00 1.46 O ATOM 0 H ASP A2113 -10.737 4.951 -3.898 1.00 0.26 H new ATOM 0 HA ASP A2113 -11.904 3.871 -1.445 1.00 0.31 H new ATOM 0 HB2 ASP A2113 -12.056 6.267 -0.807 1.00 0.40 H new ATOM 0 HB3 ASP A2113 -10.421 5.761 -1.186 1.00 0.40 H new ATOM 913 N LYS A2114 -14.210 5.431 -1.788 1.00 0.40 N ATOM 914 CA LYS A2114 -15.630 5.624 -2.078 1.00 0.46 C ATOM 915 C LYS A2114 -15.849 6.515 -3.299 1.00 0.52 C ATOM 916 O LYS A2114 -16.806 6.321 -4.049 1.00 0.65 O ATOM 917 CB LYS A2114 -16.350 6.205 -0.861 1.00 0.55 C ATOM 918 CG LYS A2114 -16.508 5.200 0.266 1.00 0.58 C ATOM 919 CD LYS A2114 -17.211 5.797 1.468 1.00 0.69 C ATOM 920 CE LYS A2114 -17.494 4.735 2.518 1.00 0.83 C ATOM 921 NZ LYS A2114 -18.469 3.720 2.034 1.00 1.72 N ATOM 0 H LYS A2114 -13.910 5.800 -0.886 1.00 0.40 H new ATOM 0 HA LYS A2114 -16.050 4.645 -2.308 1.00 0.46 H new ATOM 0 HB2 LYS A2114 -15.796 7.069 -0.495 1.00 0.55 H new ATOM 0 HB3 LYS A2114 -17.334 6.562 -1.164 1.00 0.55 H new ATOM 0 HG2 LYS A2114 -17.072 4.339 -0.093 1.00 0.58 H new ATOM 0 HG3 LYS A2114 -15.526 4.835 0.566 1.00 0.58 H new ATOM 0 HD2 LYS A2114 -16.594 6.585 1.900 1.00 0.69 H new ATOM 0 HD3 LYS A2114 -18.146 6.261 1.154 1.00 0.69 H new ATOM 0 HE2 LYS A2114 -16.563 4.241 2.794 1.00 0.83 H new ATOM 0 HE3 LYS A2114 -17.882 5.210 3.419 1.00 0.83 H new ATOM 0 HZ1 LYS A2114 -18.776 3.126 2.831 1.00 1.72 H new ATOM 0 HZ2 LYS A2114 -19.294 4.200 1.621 1.00 1.72 H new ATOM 0 HZ3 LYS A2114 -18.019 3.123 1.311 1.00 1.72 H new ATOM 935 N ASN A2115 -14.951 7.463 -3.520 1.00 0.52 N ATOM 936 CA ASN A2115 -15.067 8.368 -4.657 1.00 0.60 C ATOM 937 C ASN A2115 -14.605 7.673 -5.928 1.00 0.54 C ATOM 938 O ASN A2115 -14.927 8.098 -7.038 1.00 0.70 O ATOM 939 CB ASN A2115 -14.239 9.637 -4.440 1.00 0.72 C ATOM 940 CG ASN A2115 -14.736 10.480 -3.282 1.00 0.99 C ATOM 941 OD1 ASN A2115 -15.928 10.502 -2.973 1.00 1.84 O ATOM 942 ND2 ASN A2115 -13.821 11.177 -2.630 1.00 1.11 N ATOM 0 H ASN A2115 -14.135 7.627 -2.930 1.00 0.52 H new ATOM 0 HA ASN A2115 -16.115 8.650 -4.754 1.00 0.60 H new ATOM 0 HB2 ASN A2115 -13.200 9.360 -4.260 1.00 0.72 H new ATOM 0 HB3 ASN A2115 -14.256 10.235 -5.351 1.00 0.72 H new ATOM 0 HD21 ASN A2115 -14.092 11.761 -1.839 1.00 1.11 H new ATOM 0 HD22 ASN A2115 -12.844 11.131 -2.918 1.00 1.11 H new ATOM 949 N GLY A2116 -13.853 6.596 -5.750 1.00 0.38 N ATOM 950 CA GLY A2116 -13.324 5.858 -6.875 1.00 0.39 C ATOM 951 C GLY A2116 -11.883 6.223 -7.142 1.00 0.38 C ATOM 952 O GLY A2116 -11.315 5.847 -8.168 1.00 0.44 O ATOM 0 H GLY A2116 -13.599 6.219 -4.837 1.00 0.38 H new ATOM 0 HA2 GLY A2116 -13.400 4.788 -6.679 1.00 0.39 H new ATOM 0 HA3 GLY A2116 -13.924 6.063 -7.762 1.00 0.39 H new ATOM 956 N THR A2117 -11.291 6.956 -6.211 1.00 0.36 N ATOM 957 CA THR A2117 -9.917 7.394 -6.343 1.00 0.38 C ATOM 958 C THR A2117 -8.959 6.283 -5.920 1.00 0.33 C ATOM 959 O THR A2117 -9.091 5.724 -4.828 1.00 0.33 O ATOM 960 CB THR A2117 -9.664 8.655 -5.497 1.00 0.44 C ATOM 961 OG1 THR A2117 -10.590 9.681 -5.881 1.00 0.57 O ATOM 962 CG2 THR A2117 -8.238 9.163 -5.666 1.00 0.54 C ATOM 0 H THR A2117 -11.748 7.260 -5.351 1.00 0.36 H new ATOM 0 HA THR A2117 -9.738 7.635 -7.391 1.00 0.38 H new ATOM 0 HB THR A2117 -9.807 8.395 -4.448 1.00 0.44 H new ATOM 0 HG1 THR A2117 -10.431 10.484 -5.342 1.00 0.57 H new ATOM 0 HG21 THR A2117 -8.094 10.054 -5.055 1.00 0.54 H new ATOM 0 HG22 THR A2117 -7.537 8.390 -5.351 1.00 0.54 H new ATOM 0 HG23 THR A2117 -8.061 9.409 -6.713 1.00 0.54 H new ATOM 970 N PRO A2118 -8.011 5.918 -6.792 1.00 0.38 N ATOM 971 CA PRO A2118 -7.013 4.901 -6.483 1.00 0.40 C ATOM 972 C PRO A2118 -5.998 5.372 -5.446 1.00 0.35 C ATOM 973 O PRO A2118 -5.077 6.131 -5.760 1.00 0.39 O ATOM 974 CB PRO A2118 -6.313 4.636 -7.825 1.00 0.53 C ATOM 975 CG PRO A2118 -7.142 5.322 -8.858 1.00 0.61 C ATOM 976 CD PRO A2118 -7.845 6.444 -8.154 1.00 0.51 C ATOM 0 HA PRO A2118 -7.477 4.014 -6.052 1.00 0.40 H new ATOM 0 HB2 PRO A2118 -5.295 5.025 -7.819 1.00 0.53 H new ATOM 0 HB3 PRO A2118 -6.244 3.567 -8.026 1.00 0.53 H new ATOM 0 HG2 PRO A2118 -6.519 5.701 -9.668 1.00 0.61 H new ATOM 0 HG3 PRO A2118 -7.859 4.632 -9.303 1.00 0.61 H new ATOM 0 HD2 PRO A2118 -7.256 7.361 -8.165 1.00 0.51 H new ATOM 0 HD3 PRO A2118 -8.804 6.676 -8.618 1.00 0.51 H new ATOM 984 N VAL A2119 -6.182 4.934 -4.209 1.00 0.33 N ATOM 985 CA VAL A2119 -5.177 5.126 -3.175 1.00 0.33 C ATOM 986 C VAL A2119 -4.043 4.140 -3.419 1.00 0.36 C ATOM 987 O VAL A2119 -4.196 2.923 -3.270 1.00 0.39 O ATOM 988 CB VAL A2119 -5.768 4.971 -1.752 1.00 0.39 C ATOM 989 CG1 VAL A2119 -6.748 6.096 -1.467 1.00 0.52 C ATOM 990 CG2 VAL A2119 -6.461 3.634 -1.573 1.00 0.60 C ATOM 0 H VAL A2119 -7.020 4.442 -3.897 1.00 0.33 H new ATOM 0 HA VAL A2119 -4.797 6.146 -3.230 1.00 0.33 H new ATOM 0 HB VAL A2119 -4.939 5.018 -1.046 1.00 0.39 H new ATOM 0 HG11 VAL A2119 -7.157 5.977 -0.464 1.00 0.52 H new ATOM 0 HG12 VAL A2119 -6.233 7.054 -1.537 1.00 0.52 H new ATOM 0 HG13 VAL A2119 -7.558 6.066 -2.195 1.00 0.52 H new ATOM 0 HG21 VAL A2119 -6.862 3.564 -0.562 1.00 0.60 H new ATOM 0 HG22 VAL A2119 -7.275 3.547 -2.293 1.00 0.60 H new ATOM 0 HG23 VAL A2119 -5.745 2.828 -1.736 1.00 0.60 H new ATOM 1000 N THR A2120 -2.917 4.675 -3.854 1.00 0.39 N ATOM 1001 CA THR A2120 -1.811 3.853 -4.293 1.00 0.44 C ATOM 1002 C THR A2120 -0.531 4.226 -3.572 1.00 0.53 C ATOM 1003 O THR A2120 -0.372 5.349 -3.095 1.00 0.67 O ATOM 1004 CB THR A2120 -1.580 3.980 -5.820 1.00 0.52 C ATOM 1005 OG1 THR A2120 -1.407 5.360 -6.176 1.00 0.61 O ATOM 1006 CG2 THR A2120 -2.745 3.400 -6.608 1.00 0.55 C ATOM 0 H THR A2120 -2.747 5.679 -3.912 1.00 0.39 H new ATOM 0 HA THR A2120 -2.074 2.822 -4.056 1.00 0.44 H new ATOM 0 HB THR A2120 -0.681 3.416 -6.068 1.00 0.52 H new ATOM 0 HG1 THR A2120 -1.260 5.433 -7.142 1.00 0.61 H new ATOM 0 HG21 THR A2120 -2.551 3.505 -7.675 1.00 0.55 H new ATOM 0 HG22 THR A2120 -2.861 2.344 -6.363 1.00 0.55 H new ATOM 0 HG23 THR A2120 -3.660 3.934 -6.351 1.00 0.55 H new ATOM 1014 N ALA A2121 0.367 3.270 -3.481 1.00 0.53 N ATOM 1015 CA ALA A2121 1.703 3.531 -3.006 1.00 0.65 C ATOM 1016 C ALA A2121 2.683 2.964 -4.010 1.00 0.73 C ATOM 1017 O ALA A2121 2.574 1.799 -4.399 1.00 0.69 O ATOM 1018 CB ALA A2121 1.920 2.923 -1.628 1.00 0.70 C ATOM 0 H ALA A2121 0.191 2.297 -3.733 1.00 0.53 H new ATOM 0 HA ALA A2121 1.856 4.606 -2.908 1.00 0.65 H new ATOM 0 HB1 ALA A2121 2.935 3.134 -1.293 1.00 0.70 H new ATOM 0 HB2 ALA A2121 1.208 3.354 -0.924 1.00 0.70 H new ATOM 0 HB3 ALA A2121 1.772 1.844 -1.679 1.00 0.70 H new ATOM 1024 N THR A2122 3.617 3.786 -4.446 1.00 0.98 N ATOM 1025 CA THR A2122 4.581 3.374 -5.444 1.00 1.15 C ATOM 1026 C THR A2122 5.932 3.129 -4.797 1.00 0.99 C ATOM 1027 O THR A2122 6.676 4.066 -4.503 1.00 1.22 O ATOM 1028 CB THR A2122 4.716 4.428 -6.558 1.00 1.63 C ATOM 1029 OG1 THR A2122 4.947 5.720 -5.981 1.00 2.19 O ATOM 1030 CG2 THR A2122 3.465 4.469 -7.424 1.00 2.08 C ATOM 0 H THR A2122 3.728 4.747 -4.122 1.00 0.98 H new ATOM 0 HA THR A2122 4.224 2.448 -5.894 1.00 1.15 H new ATOM 0 HB THR A2122 5.562 4.153 -7.188 1.00 1.63 H new ATOM 0 HG1 THR A2122 5.602 5.642 -5.256 1.00 2.19 H new ATOM 0 HG21 THR A2122 3.586 5.222 -8.203 1.00 2.08 H new ATOM 0 HG22 THR A2122 3.308 3.493 -7.883 1.00 2.08 H new ATOM 0 HG23 THR A2122 2.603 4.722 -6.806 1.00 2.08 H new ATOM 1038 N TYR A2123 6.232 1.870 -4.546 1.00 0.85 N ATOM 1039 CA TYR A2123 7.483 1.512 -3.918 1.00 0.77 C ATOM 1040 C TYR A2123 8.370 0.736 -4.867 1.00 0.94 C ATOM 1041 O TYR A2123 7.913 -0.167 -5.562 1.00 1.20 O ATOM 1042 CB TYR A2123 7.223 0.740 -2.628 1.00 0.83 C ATOM 1043 CG TYR A2123 7.123 1.666 -1.447 1.00 1.21 C ATOM 1044 CD1 TYR A2123 5.893 2.095 -0.971 1.00 1.93 C ATOM 1045 CD2 TYR A2123 8.271 2.141 -0.833 1.00 1.82 C ATOM 1046 CE1 TYR A2123 5.811 2.978 0.088 1.00 2.36 C ATOM 1047 CE2 TYR A2123 8.200 3.014 0.228 1.00 2.26 C ATOM 1048 CZ TYR A2123 6.969 3.434 0.686 1.00 2.25 C ATOM 1049 OH TYR A2123 6.896 4.320 1.737 1.00 2.81 O ATOM 0 H TYR A2123 5.626 1.080 -4.768 1.00 0.85 H new ATOM 0 HA TYR A2123 8.017 2.427 -3.661 1.00 0.77 H new ATOM 0 HB2 TYR A2123 6.300 0.168 -2.724 1.00 0.83 H new ATOM 0 HB3 TYR A2123 8.027 0.022 -2.463 1.00 0.83 H new ATOM 0 HD1 TYR A2123 4.987 1.734 -1.435 1.00 1.93 H new ATOM 0 HD2 TYR A2123 9.237 1.821 -1.193 1.00 1.82 H new ATOM 0 HE1 TYR A2123 4.847 3.310 0.446 1.00 2.36 H new ATOM 0 HE2 TYR A2123 9.104 3.369 0.700 1.00 2.26 H new ATOM 0 HH TYR A2123 7.801 4.540 2.043 1.00 2.81 H new ATOM 1059 N SER A2124 9.638 1.117 -4.906 1.00 1.07 N ATOM 1060 CA SER A2124 10.585 0.542 -5.838 1.00 1.29 C ATOM 1061 C SER A2124 12.013 0.785 -5.347 1.00 1.24 C ATOM 1062 O SER A2124 12.243 1.660 -4.511 1.00 1.31 O ATOM 1063 CB SER A2124 10.367 1.176 -7.217 1.00 1.66 C ATOM 1064 OG SER A2124 10.370 2.590 -7.127 1.00 2.06 O ATOM 0 H SER A2124 10.034 1.830 -4.294 1.00 1.07 H new ATOM 0 HA SER A2124 10.432 -0.535 -5.911 1.00 1.29 H new ATOM 0 HB2 SER A2124 11.151 0.849 -7.901 1.00 1.66 H new ATOM 0 HB3 SER A2124 9.419 0.836 -7.633 1.00 1.66 H new ATOM 0 HG SER A2124 10.231 2.975 -8.018 1.00 2.06 H new ATOM 1070 N PRO A2125 12.995 0.010 -5.856 1.00 1.46 N ATOM 1071 CA PRO A2125 14.399 0.113 -5.428 1.00 1.71 C ATOM 1072 C PRO A2125 15.079 1.391 -5.914 1.00 1.73 C ATOM 1073 O PRO A2125 16.272 1.596 -5.694 1.00 2.16 O ATOM 1074 CB PRO A2125 15.054 -1.116 -6.062 1.00 2.09 C ATOM 1075 CG PRO A2125 14.214 -1.418 -7.252 1.00 2.09 C ATOM 1076 CD PRO A2125 12.810 -1.046 -6.873 1.00 1.75 C ATOM 0 HA PRO A2125 14.485 0.151 -4.342 1.00 1.71 H new ATOM 0 HB2 PRO A2125 16.086 -0.912 -6.347 1.00 2.09 H new ATOM 0 HB3 PRO A2125 15.075 -1.956 -5.368 1.00 2.09 H new ATOM 0 HG2 PRO A2125 14.548 -0.849 -8.120 1.00 2.09 H new ATOM 0 HG3 PRO A2125 14.280 -2.473 -7.518 1.00 2.09 H new ATOM 0 HD2 PRO A2125 12.246 -0.682 -7.732 1.00 1.75 H new ATOM 0 HD3 PRO A2125 12.263 -1.899 -6.471 1.00 1.75 H new ATOM 1084 N GLU A2126 14.314 2.244 -6.578 1.00 1.86 N ATOM 1085 CA GLU A2126 14.822 3.521 -7.055 1.00 2.08 C ATOM 1086 C GLU A2126 14.297 4.651 -6.175 1.00 1.98 C ATOM 1087 O GLU A2126 14.491 5.830 -6.472 1.00 2.37 O ATOM 1088 CB GLU A2126 14.405 3.741 -8.509 1.00 2.47 C ATOM 1089 CG GLU A2126 12.900 3.752 -8.707 1.00 3.11 C ATOM 1090 CD GLU A2126 12.498 3.933 -10.153 1.00 3.80 C ATOM 1091 OE1 GLU A2126 12.052 2.948 -10.778 1.00 4.26 O ATOM 1092 OE2 GLU A2126 12.620 5.061 -10.672 1.00 4.33 O ATOM 0 H GLU A2126 13.333 2.073 -6.800 1.00 1.86 H new ATOM 0 HA GLU A2126 15.911 3.513 -7.003 1.00 2.08 H new ATOM 0 HB2 GLU A2126 14.817 4.687 -8.859 1.00 2.47 H new ATOM 0 HB3 GLU A2126 14.840 2.956 -9.127 1.00 2.47 H new ATOM 0 HG2 GLU A2126 12.483 2.817 -8.334 1.00 3.11 H new ATOM 0 HG3 GLU A2126 12.466 4.555 -8.111 1.00 3.11 H new ATOM 1099 N PHE A2127 13.625 4.267 -5.093 1.00 2.04 N ATOM 1100 CA PHE A2127 13.050 5.214 -4.146 1.00 2.23 C ATOM 1101 C PHE A2127 14.147 6.084 -3.535 1.00 2.57 C ATOM 1102 O PHE A2127 15.103 5.571 -2.950 1.00 3.09 O ATOM 1103 CB PHE A2127 12.303 4.451 -3.048 1.00 2.24 C ATOM 1104 CG PHE A2127 11.342 5.286 -2.250 1.00 2.48 C ATOM 1105 CD1 PHE A2127 10.045 5.478 -2.694 1.00 2.99 C ATOM 1106 CD2 PHE A2127 11.729 5.862 -1.051 1.00 2.99 C ATOM 1107 CE1 PHE A2127 9.150 6.230 -1.958 1.00 3.64 C ATOM 1108 CE2 PHE A2127 10.840 6.619 -0.313 1.00 3.62 C ATOM 1109 CZ PHE A2127 9.550 6.802 -0.765 1.00 3.83 C ATOM 0 H PHE A2127 13.464 3.290 -4.849 1.00 2.04 H new ATOM 0 HA PHE A2127 12.349 5.863 -4.670 1.00 2.23 H new ATOM 0 HB2 PHE A2127 11.755 3.627 -3.505 1.00 2.24 H new ATOM 0 HB3 PHE A2127 13.033 4.011 -2.368 1.00 2.24 H new ATOM 0 HD1 PHE A2127 9.729 5.035 -3.627 1.00 2.99 H new ATOM 0 HD2 PHE A2127 12.736 5.718 -0.689 1.00 2.99 H new ATOM 0 HE1 PHE A2127 8.140 6.371 -2.314 1.00 3.64 H new ATOM 0 HE2 PHE A2127 11.155 7.067 0.618 1.00 3.62 H new ATOM 0 HZ PHE A2127 8.853 7.391 -0.188 1.00 3.83 H new ATOM 1119 N THR A2128 14.008 7.390 -3.685 1.00 2.82 N ATOM 1120 CA THR A2128 15.009 8.330 -3.207 1.00 3.38 C ATOM 1121 C THR A2128 14.731 8.759 -1.769 1.00 2.89 C ATOM 1122 O THR A2128 13.583 8.749 -1.316 1.00 3.03 O ATOM 1123 CB THR A2128 15.055 9.568 -4.118 1.00 4.34 C ATOM 1124 OG1 THR A2128 13.724 10.042 -4.363 1.00 4.91 O ATOM 1125 CG2 THR A2128 15.731 9.241 -5.439 1.00 5.11 C ATOM 0 H THR A2128 13.205 7.827 -4.138 1.00 2.82 H new ATOM 0 HA THR A2128 15.975 7.825 -3.231 1.00 3.38 H new ATOM 0 HB THR A2128 15.632 10.344 -3.614 1.00 4.34 H new ATOM 0 HG1 THR A2128 13.759 10.832 -4.942 1.00 4.91 H new ATOM 0 HG21 THR A2128 15.752 10.132 -6.067 1.00 5.11 H new ATOM 0 HG22 THR A2128 16.751 8.904 -5.252 1.00 5.11 H new ATOM 0 HG23 THR A2128 15.176 8.452 -5.946 1.00 5.11 H new ATOM 1133 N LYS A2129 15.786 9.133 -1.053 1.00 2.90 N ATOM 1134 CA LYS A2129 15.657 9.541 0.340 1.00 2.79 C ATOM 1135 C LYS A2129 15.589 11.058 0.450 1.00 3.43 C ATOM 1136 O LYS A2129 16.224 11.774 -0.326 1.00 3.99 O ATOM 1137 CB LYS A2129 16.827 9.004 1.173 1.00 3.05 C ATOM 1138 CG LYS A2129 18.190 9.544 0.767 1.00 3.76 C ATOM 1139 CD LYS A2129 19.313 8.884 1.557 1.00 4.33 C ATOM 1140 CE LYS A2129 19.144 9.078 3.056 1.00 4.72 C ATOM 1141 NZ LYS A2129 20.259 8.466 3.828 1.00 5.22 N ATOM 0 H LYS A2129 16.739 9.162 -1.415 1.00 2.90 H new ATOM 0 HA LYS A2129 14.730 9.121 0.731 1.00 2.79 H new ATOM 0 HB2 LYS A2129 16.652 9.246 2.221 1.00 3.05 H new ATOM 0 HB3 LYS A2129 16.843 7.917 1.095 1.00 3.05 H new ATOM 0 HG2 LYS A2129 18.346 9.375 -0.298 1.00 3.76 H new ATOM 0 HG3 LYS A2129 18.217 10.622 0.926 1.00 3.76 H new ATOM 0 HD2 LYS A2129 19.339 7.818 1.330 1.00 4.33 H new ATOM 0 HD3 LYS A2129 20.270 9.300 1.243 1.00 4.33 H new ATOM 0 HE2 LYS A2129 19.091 10.143 3.280 1.00 4.72 H new ATOM 0 HE3 LYS A2129 18.199 8.638 3.374 1.00 4.72 H new ATOM 0 HZ1 LYS A2129 20.104 8.622 4.845 1.00 5.22 H new ATOM 0 HZ2 LYS A2129 20.295 7.445 3.636 1.00 5.22 H new ATOM 0 HZ3 LYS A2129 21.159 8.903 3.544 1.00 5.22 H new ATOM 1155 N VAL A2130 14.822 11.543 1.409 1.00 3.76 N ATOM 1156 CA VAL A2130 14.678 12.971 1.616 1.00 4.65 C ATOM 1157 C VAL A2130 14.469 13.277 3.097 1.00 5.15 C ATOM 1158 O VAL A2130 15.304 14.002 3.672 1.00 5.63 O ATOM 1159 CB VAL A2130 13.527 13.563 0.762 1.00 5.31 C ATOM 1160 CG1 VAL A2130 12.211 12.843 1.021 1.00 5.79 C ATOM 1161 CG2 VAL A2130 13.384 15.058 1.012 1.00 5.88 C ATOM 1162 OXT VAL A2130 13.508 12.746 3.692 1.00 5.44 O ATOM 0 H VAL A2130 14.288 10.966 2.059 1.00 3.76 H new ATOM 0 HA VAL A2130 15.602 13.448 1.288 1.00 4.65 H new ATOM 0 HB VAL A2130 13.783 13.412 -0.287 1.00 5.31 H new ATOM 0 HG11 VAL A2130 11.427 13.285 0.405 1.00 5.79 H new ATOM 0 HG12 VAL A2130 12.318 11.788 0.770 1.00 5.79 H new ATOM 0 HG13 VAL A2130 11.944 12.940 2.073 1.00 5.79 H new ATOM 0 HG21 VAL A2130 12.571 15.453 0.403 1.00 5.88 H new ATOM 0 HG22 VAL A2130 13.165 15.231 2.066 1.00 5.88 H new ATOM 0 HG23 VAL A2130 14.314 15.562 0.747 1.00 5.88 H new TER 1172 VAL A2130