USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 522 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 -94:sc= 0.888 USER MOD Set 1.2: A2095 THR OG1 : rot 180:sc= 0.779 USER MOD Set 2.1: A2081 GLN : amide:sc= -0.862 K(o=0.044,f=-6.5!) USER MOD Set 2.2: A2084 TYR OH : rot 103:sc= 0.906 USER MOD Set 3.1: A2077 THR OG1 : rot 180:sc= 0.153 USER MOD Set 3.2: A2083 THR OG1 : rot -108:sc= -1.01 USER MOD Set 4.1: A2068 THR OG1 : rot 180:sc= 1.06 USER MOD Set 4.2: A2110 LYS NZ :NH3+ 147:sc= 1.19 (180deg=0) USER MOD Single : A2064 THR OG1 : rot 19:sc= 1.24 USER MOD Single : A2073 SER OG : rot 180:sc= 0 USER MOD Single : A2074 LYS NZ :NH3+ 172:sc=-0.00467 (180deg=-0.102) USER MOD Single : A2076 LYS NZ :NH3+ 164:sc= 1.21 (180deg=0.997) 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 :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A2103 LYS NZ :NH3+ -172:sc= -0.0095 (180deg=-0.098) USER MOD Single : A2108 THR OG1 : rot 180:sc= -0.0491 USER MOD Single : A2114 LYS NZ :NH3+ -165:sc= 1.14 (180deg=0.888) USER MOD Single : A2115 ASN : amide:sc= -1.32! X(o=-1.3!,f=-0.98) 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 48:sc= 0.0897 USER MOD Single : A2123 TYR OH : rot 120:sc= -0.172 USER MOD Single : A2124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N ASP A2056 -7.019 9.156 1.736 1.00 1.08 N ATOM 33 CA ASP A2056 -7.722 10.429 1.692 1.00 1.00 C ATOM 34 C ASP A2056 -8.639 10.563 2.895 1.00 1.03 C ATOM 35 O ASP A2056 -9.713 9.970 2.931 1.00 1.04 O ATOM 36 CB ASP A2056 -8.538 10.586 0.405 1.00 1.12 C ATOM 37 CG ASP A2056 -7.715 11.161 -0.731 1.00 1.80 C ATOM 38 OD1 ASP A2056 -7.310 10.403 -1.635 1.00 2.41 O ATOM 39 OD2 ASP A2056 -7.461 12.385 -0.720 1.00 2.42 O ATOM 0 HA ASP A2056 -6.969 11.217 1.712 1.00 1.00 H new ATOM 0 HB2 ASP A2056 -8.935 9.615 0.108 1.00 1.12 H new ATOM 0 HB3 ASP A2056 -9.393 11.235 0.596 1.00 1.12 H new ATOM 44 N PRO A2057 -8.228 11.340 3.908 1.00 1.20 N ATOM 45 CA PRO A2057 -9.046 11.562 5.103 1.00 1.36 C ATOM 46 C PRO A2057 -10.294 12.388 4.793 1.00 1.24 C ATOM 47 O PRO A2057 -11.185 12.529 5.629 1.00 1.34 O ATOM 48 CB PRO A2057 -8.113 12.318 6.051 1.00 1.72 C ATOM 49 CG PRO A2057 -7.091 12.952 5.170 1.00 1.71 C ATOM 50 CD PRO A2057 -6.936 12.048 3.977 1.00 1.41 C ATOM 0 HA PRO A2057 -9.418 10.628 5.525 1.00 1.36 H new ATOM 0 HB2 PRO A2057 -8.658 13.068 6.625 1.00 1.72 H new ATOM 0 HB3 PRO A2057 -7.649 11.642 6.769 1.00 1.72 H new ATOM 0 HG2 PRO A2057 -7.408 13.949 4.863 1.00 1.71 H new ATOM 0 HG3 PRO A2057 -6.143 13.067 5.696 1.00 1.71 H new ATOM 0 HD2 PRO A2057 -6.741 12.615 3.067 1.00 1.41 H new ATOM 0 HD3 PRO A2057 -6.105 11.354 4.105 1.00 1.41 H new ATOM 58 N LEU A2058 -10.346 12.929 3.581 1.00 1.18 N ATOM 59 CA LEU A2058 -11.503 13.686 3.126 1.00 1.17 C ATOM 60 C LEU A2058 -12.560 12.742 2.568 1.00 1.00 C ATOM 61 O LEU A2058 -13.732 13.099 2.462 1.00 1.06 O ATOM 62 CB LEU A2058 -11.114 14.712 2.052 1.00 1.35 C ATOM 63 CG LEU A2058 -10.236 15.882 2.520 1.00 1.71 C ATOM 64 CD1 LEU A2058 -8.808 15.430 2.776 1.00 2.34 C ATOM 65 CD2 LEU A2058 -10.258 17.004 1.493 1.00 2.10 C ATOM 0 H LEU A2058 -9.596 12.856 2.894 1.00 1.18 H new ATOM 0 HA LEU A2058 -11.907 14.223 3.984 1.00 1.17 H new ATOM 0 HB2 LEU A2058 -10.590 14.189 1.252 1.00 1.35 H new ATOM 0 HB3 LEU A2058 -12.028 15.120 1.621 1.00 1.35 H new ATOM 0 HG LEU A2058 -10.645 16.254 3.459 1.00 1.71 H new ATOM 0 HD11 LEU A2058 -8.211 16.280 3.106 1.00 2.34 H new ATOM 0 HD12 LEU A2058 -8.803 14.661 3.549 1.00 2.34 H new ATOM 0 HD13 LEU A2058 -8.385 15.024 1.857 1.00 2.34 H new ATOM 0 HD21 LEU A2058 -9.631 17.826 1.839 1.00 2.10 H new ATOM 0 HD22 LEU A2058 -9.878 16.633 0.541 1.00 2.10 H new ATOM 0 HD23 LEU A2058 -11.281 17.358 1.362 1.00 2.10 H new ATOM 77 N VAL A2059 -12.140 11.527 2.227 1.00 0.86 N ATOM 78 CA VAL A2059 -13.030 10.544 1.636 1.00 0.74 C ATOM 79 C VAL A2059 -12.745 9.184 2.238 1.00 0.66 C ATOM 80 O VAL A2059 -11.894 8.445 1.739 1.00 0.62 O ATOM 81 CB VAL A2059 -12.873 10.420 0.105 1.00 0.75 C ATOM 82 CG1 VAL A2059 -14.062 9.673 -0.479 1.00 0.80 C ATOM 83 CG2 VAL A2059 -12.703 11.777 -0.557 1.00 0.87 C ATOM 0 H VAL A2059 -11.181 11.202 2.353 1.00 0.86 H new ATOM 0 HA VAL A2059 -14.045 10.883 1.846 1.00 0.74 H new ATOM 0 HB VAL A2059 -11.965 9.852 -0.097 1.00 0.75 H new ATOM 0 HG11 VAL A2059 -13.944 9.589 -1.559 1.00 0.80 H new ATOM 0 HG12 VAL A2059 -14.116 8.676 -0.042 1.00 0.80 H new ATOM 0 HG13 VAL A2059 -14.979 10.217 -0.255 1.00 0.80 H new ATOM 0 HG21 VAL A2059 -12.596 11.646 -1.634 1.00 0.87 H new ATOM 0 HG22 VAL A2059 -13.578 12.394 -0.352 1.00 0.87 H new ATOM 0 HG23 VAL A2059 -11.813 12.266 -0.161 1.00 0.87 H new ATOM 93 N PRO A2060 -13.426 8.848 3.334 1.00 0.71 N ATOM 94 CA PRO A2060 -13.247 7.562 4.000 1.00 0.72 C ATOM 95 C PRO A2060 -13.419 6.396 3.028 1.00 0.59 C ATOM 96 O PRO A2060 -14.466 6.253 2.391 1.00 0.58 O ATOM 97 CB PRO A2060 -14.333 7.555 5.073 1.00 0.87 C ATOM 98 CG PRO A2060 -14.651 8.990 5.314 1.00 1.04 C ATOM 99 CD PRO A2060 -14.423 9.694 4.008 1.00 0.86 C ATOM 0 HA PRO A2060 -12.245 7.442 4.413 1.00 0.72 H new ATOM 0 HB2 PRO A2060 -15.214 7.007 4.739 1.00 0.87 H new ATOM 0 HB3 PRO A2060 -13.983 7.070 5.985 1.00 0.87 H new ATOM 0 HG2 PRO A2060 -15.682 9.110 5.646 1.00 1.04 H new ATOM 0 HG3 PRO A2060 -14.014 9.404 6.096 1.00 1.04 H new ATOM 0 HD2 PRO A2060 -15.342 9.772 3.428 1.00 0.86 H new ATOM 0 HD3 PRO A2060 -14.054 10.709 4.158 1.00 0.86 H new ATOM 107 N ILE A2061 -12.362 5.598 2.910 1.00 0.62 N ATOM 108 CA ILE A2061 -12.309 4.480 1.969 1.00 0.56 C ATOM 109 C ILE A2061 -13.548 3.592 2.077 1.00 0.51 C ATOM 110 O ILE A2061 -13.990 3.247 3.174 1.00 0.57 O ATOM 111 CB ILE A2061 -11.043 3.623 2.201 1.00 0.69 C ATOM 112 CG1 ILE A2061 -9.784 4.498 2.156 1.00 0.77 C ATOM 113 CG2 ILE A2061 -10.952 2.505 1.172 1.00 0.75 C ATOM 114 CD1 ILE A2061 -9.598 5.245 0.851 1.00 0.76 C ATOM 0 H ILE A2061 -11.514 5.708 3.466 1.00 0.62 H new ATOM 0 HA ILE A2061 -12.276 4.910 0.968 1.00 0.56 H new ATOM 0 HB ILE A2061 -11.115 3.172 3.191 1.00 0.69 H new ATOM 0 HG12 ILE A2061 -9.826 5.219 2.972 1.00 0.77 H new ATOM 0 HG13 ILE A2061 -8.911 3.869 2.330 1.00 0.77 H new ATOM 0 HG21 ILE A2061 -10.054 1.915 1.354 1.00 0.75 H new ATOM 0 HG22 ILE A2061 -11.830 1.864 1.253 1.00 0.75 H new ATOM 0 HG23 ILE A2061 -10.907 2.934 0.171 1.00 0.75 H new ATOM 0 HD11 ILE A2061 -8.686 5.840 0.899 1.00 0.76 H new ATOM 0 HD12 ILE A2061 -9.522 4.531 0.031 1.00 0.76 H new ATOM 0 HD13 ILE A2061 -10.452 5.902 0.683 1.00 0.76 H new ATOM 126 N ASP A2062 -14.096 3.236 0.923 1.00 0.45 N ATOM 127 CA ASP A2062 -15.317 2.446 0.858 1.00 0.43 C ATOM 128 C ASP A2062 -15.028 0.983 1.164 1.00 0.43 C ATOM 129 O ASP A2062 -14.129 0.384 0.580 1.00 0.43 O ATOM 130 CB ASP A2062 -15.947 2.575 -0.527 1.00 0.44 C ATOM 131 CG ASP A2062 -17.340 1.990 -0.588 1.00 0.71 C ATOM 132 OD1 ASP A2062 -18.316 2.753 -0.423 1.00 1.42 O ATOM 133 OD2 ASP A2062 -17.466 0.772 -0.808 1.00 1.40 O ATOM 0 H ASP A2062 -13.710 3.485 0.012 1.00 0.45 H new ATOM 0 HA ASP A2062 -16.014 2.824 1.606 1.00 0.43 H new ATOM 0 HB2 ASP A2062 -15.986 3.627 -0.808 1.00 0.44 H new ATOM 0 HB3 ASP A2062 -15.314 2.073 -1.259 1.00 0.44 H new ATOM 138 N GLU A2063 -15.802 0.406 2.064 1.00 0.47 N ATOM 139 CA GLU A2063 -15.539 -0.947 2.529 1.00 0.52 C ATOM 140 C GLU A2063 -16.200 -2.000 1.645 1.00 0.51 C ATOM 141 O GLU A2063 -15.949 -3.197 1.805 1.00 0.58 O ATOM 142 CB GLU A2063 -16.012 -1.108 3.971 1.00 0.64 C ATOM 143 CG GLU A2063 -15.298 -0.191 4.948 1.00 0.72 C ATOM 144 CD GLU A2063 -15.729 -0.427 6.377 1.00 0.87 C ATOM 145 OE1 GLU A2063 -16.614 0.304 6.865 1.00 1.55 O ATOM 146 OE2 GLU A2063 -15.186 -1.349 7.021 1.00 1.30 O ATOM 0 H GLU A2063 -16.617 0.850 2.488 1.00 0.47 H new ATOM 0 HA GLU A2063 -14.462 -1.104 2.476 1.00 0.52 H new ATOM 0 HB2 GLU A2063 -17.083 -0.912 4.018 1.00 0.64 H new ATOM 0 HB3 GLU A2063 -15.863 -2.142 4.281 1.00 0.64 H new ATOM 0 HG2 GLU A2063 -14.222 -0.344 4.866 1.00 0.72 H new ATOM 0 HG3 GLU A2063 -15.494 0.847 4.678 1.00 0.72 H new ATOM 153 N THR A2064 -17.036 -1.572 0.712 1.00 0.49 N ATOM 154 CA THR A2064 -17.732 -2.517 -0.144 1.00 0.54 C ATOM 155 C THR A2064 -17.089 -2.613 -1.528 1.00 0.50 C ATOM 156 O THR A2064 -17.543 -3.379 -2.380 1.00 0.59 O ATOM 157 CB THR A2064 -19.234 -2.182 -0.269 1.00 0.60 C ATOM 158 OG1 THR A2064 -19.424 -0.811 -0.632 1.00 0.58 O ATOM 159 CG2 THR A2064 -19.953 -2.457 1.040 1.00 0.69 C ATOM 0 H THR A2064 -17.247 -0.591 0.530 1.00 0.49 H new ATOM 0 HA THR A2064 -17.643 -3.491 0.336 1.00 0.54 H new ATOM 0 HB THR A2064 -19.650 -2.817 -1.051 1.00 0.60 H new ATOM 0 HG1 THR A2064 -18.595 -0.456 -1.016 1.00 0.58 H new ATOM 0 HG21 THR A2064 -21.010 -2.215 0.932 1.00 0.69 H new ATOM 0 HG22 THR A2064 -19.847 -3.510 1.299 1.00 0.69 H new ATOM 0 HG23 THR A2064 -19.519 -1.843 1.829 1.00 0.69 H new ATOM 167 N VAL A2065 -16.015 -1.860 -1.740 1.00 0.44 N ATOM 168 CA VAL A2065 -15.278 -1.923 -3.001 1.00 0.43 C ATOM 169 C VAL A2065 -14.135 -2.927 -2.902 1.00 0.37 C ATOM 170 O VAL A2065 -14.006 -3.626 -1.896 1.00 0.46 O ATOM 171 CB VAL A2065 -14.702 -0.550 -3.400 1.00 0.48 C ATOM 172 CG1 VAL A2065 -15.813 0.462 -3.602 1.00 0.82 C ATOM 173 CG2 VAL A2065 -13.710 -0.062 -2.362 1.00 0.57 C ATOM 0 H VAL A2065 -15.635 -1.201 -1.060 1.00 0.44 H new ATOM 0 HA VAL A2065 -15.987 -2.238 -3.767 1.00 0.43 H new ATOM 0 HB VAL A2065 -14.174 -0.665 -4.346 1.00 0.48 H new ATOM 0 HG11 VAL A2065 -15.383 1.423 -3.883 1.00 0.82 H new ATOM 0 HG12 VAL A2065 -16.479 0.118 -4.393 1.00 0.82 H new ATOM 0 HG13 VAL A2065 -16.376 0.574 -2.676 1.00 0.82 H new ATOM 0 HG21 VAL A2065 -13.316 0.908 -2.663 1.00 0.57 H new ATOM 0 HG22 VAL A2065 -14.209 0.033 -1.398 1.00 0.57 H new ATOM 0 HG23 VAL A2065 -12.891 -0.776 -2.278 1.00 0.57 H new ATOM 183 N GLU A2066 -13.317 -2.997 -3.948 1.00 0.34 N ATOM 184 CA GLU A2066 -12.175 -3.903 -3.973 1.00 0.32 C ATOM 185 C GLU A2066 -10.884 -3.186 -3.583 1.00 0.26 C ATOM 186 O GLU A2066 -10.369 -2.335 -4.324 1.00 0.28 O ATOM 187 CB GLU A2066 -12.015 -4.526 -5.362 1.00 0.40 C ATOM 188 CG GLU A2066 -10.840 -5.482 -5.473 1.00 0.43 C ATOM 189 CD GLU A2066 -10.599 -5.943 -6.893 1.00 0.61 C ATOM 190 OE1 GLU A2066 -9.952 -5.205 -7.661 1.00 0.68 O ATOM 191 OE2 GLU A2066 -11.057 -7.046 -7.257 1.00 0.78 O ATOM 0 H GLU A2066 -13.425 -2.435 -4.792 1.00 0.34 H new ATOM 0 HA GLU A2066 -12.366 -4.689 -3.243 1.00 0.32 H new ATOM 0 HB2 GLU A2066 -12.931 -5.059 -5.619 1.00 0.40 H new ATOM 0 HB3 GLU A2066 -11.894 -3.729 -6.096 1.00 0.40 H new ATOM 0 HG2 GLU A2066 -9.942 -4.993 -5.096 1.00 0.43 H new ATOM 0 HG3 GLU A2066 -11.021 -6.350 -4.839 1.00 0.43 H new ATOM 198 N PRO A2067 -10.375 -3.479 -2.384 1.00 0.27 N ATOM 199 CA PRO A2067 -9.042 -3.097 -1.966 1.00 0.30 C ATOM 200 C PRO A2067 -8.042 -4.218 -2.244 1.00 0.28 C ATOM 201 O PRO A2067 -8.067 -5.257 -1.583 1.00 0.34 O ATOM 202 CB PRO A2067 -9.209 -2.878 -0.452 1.00 0.41 C ATOM 203 CG PRO A2067 -10.593 -3.358 -0.110 1.00 0.45 C ATOM 204 CD PRO A2067 -11.072 -4.148 -1.294 1.00 0.37 C ATOM 0 HA PRO A2067 -8.659 -2.222 -2.491 1.00 0.30 H new ATOM 0 HB2 PRO A2067 -8.455 -3.432 0.107 1.00 0.41 H new ATOM 0 HB3 PRO A2067 -9.087 -1.826 -0.195 1.00 0.41 H new ATOM 0 HG2 PRO A2067 -10.579 -3.975 0.789 1.00 0.45 H new ATOM 0 HG3 PRO A2067 -11.257 -2.517 0.091 1.00 0.45 H new ATOM 0 HD2 PRO A2067 -10.804 -5.202 -1.220 1.00 0.37 H new ATOM 0 HD3 PRO A2067 -12.155 -4.101 -1.408 1.00 0.37 H new ATOM 212 N THR A2068 -7.176 -4.013 -3.226 1.00 0.29 N ATOM 213 CA THR A2068 -6.212 -5.031 -3.627 1.00 0.32 C ATOM 214 C THR A2068 -4.937 -4.387 -4.144 1.00 0.39 C ATOM 215 O THR A2068 -4.972 -3.328 -4.765 1.00 0.70 O ATOM 216 CB THR A2068 -6.768 -5.943 -4.739 1.00 0.34 C ATOM 217 OG1 THR A2068 -7.351 -5.151 -5.782 1.00 0.38 O ATOM 218 CG2 THR A2068 -7.796 -6.926 -4.201 1.00 0.36 C ATOM 0 H THR A2068 -7.120 -3.147 -3.763 1.00 0.29 H new ATOM 0 HA THR A2068 -6.006 -5.630 -2.740 1.00 0.32 H new ATOM 0 HB THR A2068 -5.934 -6.518 -5.140 1.00 0.34 H new ATOM 0 HG1 THR A2068 -7.700 -5.740 -6.484 1.00 0.38 H new ATOM 0 HG21 THR A2068 -8.163 -7.550 -5.015 1.00 0.36 H new ATOM 0 HG22 THR A2068 -7.334 -7.556 -3.441 1.00 0.36 H new ATOM 0 HG23 THR A2068 -8.628 -6.377 -3.760 1.00 0.36 H new ATOM 226 N PHE A2069 -3.810 -5.028 -3.898 1.00 0.25 N ATOM 227 CA PHE A2069 -2.549 -4.540 -4.422 1.00 0.26 C ATOM 228 C PHE A2069 -2.551 -4.790 -5.916 1.00 0.27 C ATOM 229 O PHE A2069 -3.150 -5.757 -6.376 1.00 0.31 O ATOM 230 CB PHE A2069 -1.360 -5.246 -3.764 1.00 0.31 C ATOM 231 CG PHE A2069 -1.352 -5.188 -2.254 1.00 0.28 C ATOM 232 CD1 PHE A2069 -0.334 -5.792 -1.540 1.00 1.14 C ATOM 233 CD2 PHE A2069 -2.366 -4.547 -1.550 1.00 1.12 C ATOM 234 CE1 PHE A2069 -0.327 -5.761 -0.161 1.00 1.16 C ATOM 235 CE2 PHE A2069 -2.360 -4.514 -0.174 1.00 1.15 C ATOM 236 CZ PHE A2069 -1.342 -5.122 0.520 1.00 0.42 C ATOM 0 H PHE A2069 -3.742 -5.881 -3.343 1.00 0.25 H new ATOM 0 HA PHE A2069 -2.445 -3.477 -4.206 1.00 0.26 H new ATOM 0 HB2 PHE A2069 -1.357 -6.291 -4.075 1.00 0.31 H new ATOM 0 HB3 PHE A2069 -0.438 -4.800 -4.137 1.00 0.31 H new ATOM 0 HD1 PHE A2069 0.464 -6.293 -2.067 1.00 1.14 H new ATOM 0 HD2 PHE A2069 -3.169 -4.069 -2.091 1.00 1.12 H new ATOM 0 HE1 PHE A2069 0.474 -6.237 0.386 1.00 1.16 H new ATOM 0 HE2 PHE A2069 -3.154 -4.011 0.359 1.00 1.15 H new ATOM 0 HZ PHE A2069 -1.337 -5.100 1.600 1.00 0.42 H new ATOM 246 N GLU A2070 -1.887 -3.919 -6.663 1.00 0.30 N ATOM 247 CA GLU A2070 -2.066 -3.853 -8.110 1.00 0.36 C ATOM 248 C GLU A2070 -1.680 -5.163 -8.807 1.00 0.36 C ATOM 249 O GLU A2070 -2.099 -5.416 -9.936 1.00 0.44 O ATOM 250 CB GLU A2070 -1.263 -2.688 -8.687 1.00 0.52 C ATOM 251 CG GLU A2070 -1.754 -2.233 -10.051 1.00 0.66 C ATOM 252 CD GLU A2070 -3.200 -1.771 -10.026 1.00 1.36 C ATOM 253 OE1 GLU A2070 -4.109 -2.629 -10.090 1.00 2.09 O ATOM 254 OE2 GLU A2070 -3.437 -0.545 -9.962 1.00 2.01 O ATOM 0 H GLU A2070 -1.217 -3.246 -6.291 1.00 0.30 H new ATOM 0 HA GLU A2070 -3.127 -3.691 -8.298 1.00 0.36 H new ATOM 0 HB2 GLU A2070 -1.307 -1.848 -7.994 1.00 0.52 H new ATOM 0 HB3 GLU A2070 -0.216 -2.982 -8.765 1.00 0.52 H new ATOM 0 HG2 GLU A2070 -1.122 -1.419 -10.408 1.00 0.66 H new ATOM 0 HG3 GLU A2070 -1.650 -3.052 -10.762 1.00 0.66 H new ATOM 261 N ASP A2071 -0.890 -5.997 -8.130 1.00 0.40 N ATOM 262 CA ASP A2071 -0.484 -7.292 -8.683 1.00 0.53 C ATOM 263 C ASP A2071 -1.450 -8.397 -8.263 1.00 0.50 C ATOM 264 O ASP A2071 -1.257 -9.562 -8.607 1.00 0.62 O ATOM 265 CB ASP A2071 0.925 -7.676 -8.223 1.00 0.69 C ATOM 266 CG ASP A2071 1.990 -6.694 -8.660 1.00 1.42 C ATOM 267 OD1 ASP A2071 2.742 -6.211 -7.789 1.00 2.06 O ATOM 268 OD2 ASP A2071 2.085 -6.405 -9.872 1.00 2.15 O ATOM 0 H ASP A2071 -0.519 -5.801 -7.200 1.00 0.40 H new ATOM 0 HA ASP A2071 -0.496 -7.188 -9.768 1.00 0.53 H new ATOM 0 HB2 ASP A2071 0.936 -7.752 -7.136 1.00 0.69 H new ATOM 0 HB3 ASP A2071 1.170 -8.664 -8.614 1.00 0.69 H new ATOM 273 N GLY A2072 -2.482 -8.030 -7.517 1.00 0.43 N ATOM 274 CA GLY A2072 -3.418 -9.013 -7.007 1.00 0.48 C ATOM 275 C GLY A2072 -2.971 -9.587 -5.679 1.00 0.48 C ATOM 276 O GLY A2072 -3.338 -10.704 -5.315 1.00 0.63 O ATOM 0 H GLY A2072 -2.689 -7.066 -7.255 1.00 0.43 H new ATOM 0 HA2 GLY A2072 -4.399 -8.553 -6.891 1.00 0.48 H new ATOM 0 HA3 GLY A2072 -3.528 -9.820 -7.732 1.00 0.48 H new ATOM 280 N SER A2073 -2.173 -8.822 -4.949 1.00 0.37 N ATOM 281 CA SER A2073 -1.661 -9.266 -3.662 1.00 0.38 C ATOM 282 C SER A2073 -2.544 -8.750 -2.528 1.00 0.35 C ATOM 283 O SER A2073 -3.209 -7.718 -2.663 1.00 0.38 O ATOM 284 CB SER A2073 -0.218 -8.789 -3.477 1.00 0.46 C ATOM 285 OG SER A2073 0.597 -9.186 -4.570 1.00 0.89 O ATOM 0 H SER A2073 -1.866 -7.890 -5.227 1.00 0.37 H new ATOM 0 HA SER A2073 -1.675 -10.356 -3.638 1.00 0.38 H new ATOM 0 HB2 SER A2073 -0.200 -7.703 -3.382 1.00 0.46 H new ATOM 0 HB3 SER A2073 0.187 -9.197 -2.551 1.00 0.46 H new ATOM 0 HG SER A2073 1.513 -8.867 -4.428 1.00 0.89 H new ATOM 291 N LYS A2074 -2.567 -9.487 -1.425 1.00 0.35 N ATOM 292 CA LYS A2074 -3.365 -9.118 -0.263 1.00 0.34 C ATOM 293 C LYS A2074 -2.462 -8.718 0.904 1.00 0.34 C ATOM 294 O LYS A2074 -2.885 -8.006 1.814 1.00 0.42 O ATOM 295 CB LYS A2074 -4.280 -10.278 0.140 1.00 0.39 C ATOM 296 CG LYS A2074 -5.256 -10.698 -0.954 1.00 0.53 C ATOM 297 CD LYS A2074 -6.313 -9.632 -1.215 1.00 0.43 C ATOM 298 CE LYS A2074 -7.198 -9.995 -2.402 1.00 0.55 C ATOM 299 NZ LYS A2074 -7.889 -11.299 -2.215 1.00 1.13 N ATOM 0 H LYS A2074 -2.037 -10.351 -1.311 1.00 0.35 H new ATOM 0 HA LYS A2074 -3.984 -8.260 -0.525 1.00 0.34 H new ATOM 0 HB2 LYS A2074 -3.665 -11.135 0.415 1.00 0.39 H new ATOM 0 HB3 LYS A2074 -4.844 -9.992 1.028 1.00 0.39 H new ATOM 0 HG2 LYS A2074 -4.706 -10.896 -1.874 1.00 0.53 H new ATOM 0 HG3 LYS A2074 -5.744 -11.630 -0.667 1.00 0.53 H new ATOM 0 HD2 LYS A2074 -6.930 -9.506 -0.326 1.00 0.43 H new ATOM 0 HD3 LYS A2074 -5.826 -8.675 -1.403 1.00 0.43 H new ATOM 0 HE2 LYS A2074 -7.941 -9.211 -2.551 1.00 0.55 H new ATOM 0 HE3 LYS A2074 -6.591 -10.035 -3.306 1.00 0.55 H new ATOM 0 HZ1 LYS A2074 -8.579 -11.439 -2.980 1.00 1.13 H new ATOM 0 HZ2 LYS A2074 -7.190 -12.068 -2.235 1.00 1.13 H new ATOM 0 HZ3 LYS A2074 -8.382 -11.302 -1.299 1.00 1.13 H new ATOM 313 N GLU A2075 -1.222 -9.184 0.875 1.00 0.33 N ATOM 314 CA GLU A2075 -0.222 -8.768 1.847 1.00 0.32 C ATOM 315 C GLU A2075 1.145 -8.677 1.189 1.00 0.34 C ATOM 316 O GLU A2075 1.474 -9.457 0.296 1.00 0.47 O ATOM 317 CB GLU A2075 -0.184 -9.711 3.062 1.00 0.36 C ATOM 318 CG GLU A2075 1.203 -9.926 3.649 1.00 0.91 C ATOM 319 CD GLU A2075 1.186 -10.809 4.875 1.00 1.40 C ATOM 320 OE1 GLU A2075 1.021 -12.037 4.729 1.00 2.08 O ATOM 321 OE2 GLU A2075 1.344 -10.281 5.992 1.00 1.88 O ATOM 0 H GLU A2075 -0.883 -9.854 0.185 1.00 0.33 H new ATOM 0 HA GLU A2075 -0.501 -7.780 2.213 1.00 0.32 H new ATOM 0 HB2 GLU A2075 -0.835 -9.310 3.838 1.00 0.36 H new ATOM 0 HB3 GLU A2075 -0.595 -10.677 2.769 1.00 0.36 H new ATOM 0 HG2 GLU A2075 1.848 -10.373 2.893 1.00 0.91 H new ATOM 0 HG3 GLU A2075 1.637 -8.960 3.908 1.00 0.91 H new ATOM 328 N LYS A2076 1.921 -7.706 1.629 1.00 0.35 N ATOM 329 CA LYS A2076 3.255 -7.482 1.111 1.00 0.38 C ATOM 330 C LYS A2076 4.190 -7.129 2.254 1.00 0.37 C ATOM 331 O LYS A2076 4.089 -6.042 2.828 1.00 0.37 O ATOM 332 CB LYS A2076 3.220 -6.346 0.089 1.00 0.44 C ATOM 333 CG LYS A2076 4.584 -5.854 -0.380 1.00 0.88 C ATOM 334 CD LYS A2076 5.130 -6.649 -1.560 1.00 0.91 C ATOM 335 CE LYS A2076 5.772 -7.958 -1.136 1.00 0.88 C ATOM 336 NZ LYS A2076 6.460 -8.619 -2.275 1.00 1.48 N ATOM 0 H LYS A2076 1.643 -7.049 2.358 1.00 0.35 H new ATOM 0 HA LYS A2076 3.617 -8.387 0.624 1.00 0.38 H new ATOM 0 HB2 LYS A2076 2.653 -6.678 -0.780 1.00 0.44 H new ATOM 0 HB3 LYS A2076 2.677 -5.506 0.522 1.00 0.44 H new ATOM 0 HG2 LYS A2076 4.508 -4.803 -0.661 1.00 0.88 H new ATOM 0 HG3 LYS A2076 5.290 -5.913 0.448 1.00 0.88 H new ATOM 0 HD2 LYS A2076 4.320 -6.856 -2.260 1.00 0.91 H new ATOM 0 HD3 LYS A2076 5.864 -6.044 -2.092 1.00 0.91 H new ATOM 0 HE2 LYS A2076 6.488 -7.771 -0.336 1.00 0.88 H new ATOM 0 HE3 LYS A2076 5.010 -8.625 -0.733 1.00 0.88 H new ATOM 0 HZ1 LYS A2076 7.105 -9.350 -1.914 1.00 1.48 H new ATOM 0 HZ2 LYS A2076 5.754 -9.058 -2.899 1.00 1.48 H new ATOM 0 HZ3 LYS A2076 7.003 -7.912 -2.810 1.00 1.48 H new ATOM 350 N THR A2077 5.071 -8.048 2.604 1.00 0.45 N ATOM 351 CA THR A2077 6.027 -7.795 3.660 1.00 0.47 C ATOM 352 C THR A2077 7.455 -7.867 3.147 1.00 0.52 C ATOM 353 O THR A2077 7.826 -8.790 2.419 1.00 0.63 O ATOM 354 CB THR A2077 5.881 -8.789 4.822 1.00 0.50 C ATOM 355 OG1 THR A2077 4.510 -8.879 5.228 1.00 0.48 O ATOM 356 CG2 THR A2077 6.735 -8.344 5.996 1.00 0.55 C ATOM 0 H THR A2077 5.143 -8.970 2.174 1.00 0.45 H new ATOM 0 HA THR A2077 5.814 -6.789 4.020 1.00 0.47 H new ATOM 0 HB THR A2077 6.216 -9.770 4.486 1.00 0.50 H new ATOM 0 HG1 THR A2077 4.429 -9.516 5.968 1.00 0.48 H new ATOM 0 HG21 THR A2077 6.626 -9.054 6.815 1.00 0.55 H new ATOM 0 HG22 THR A2077 7.780 -8.301 5.690 1.00 0.55 H new ATOM 0 HG23 THR A2077 6.413 -7.356 6.326 1.00 0.55 H new ATOM 364 N ILE A2078 8.239 -6.875 3.524 1.00 0.51 N ATOM 365 CA ILE A2078 9.664 -6.869 3.264 1.00 0.60 C ATOM 366 C ILE A2078 10.373 -6.395 4.525 1.00 0.60 C ATOM 367 O ILE A2078 10.056 -5.322 5.038 1.00 0.53 O ATOM 368 CB ILE A2078 10.035 -5.948 2.077 1.00 0.67 C ATOM 369 CG1 ILE A2078 9.320 -6.384 0.805 1.00 0.75 C ATOM 370 CG2 ILE A2078 11.531 -5.912 1.840 1.00 0.80 C ATOM 371 CD1 ILE A2078 8.084 -5.571 0.520 1.00 1.62 C ATOM 0 H ILE A2078 7.904 -6.049 4.020 1.00 0.51 H new ATOM 0 HA ILE A2078 9.975 -7.878 2.995 1.00 0.60 H new ATOM 0 HB ILE A2078 9.709 -4.942 2.341 1.00 0.67 H new ATOM 0 HG12 ILE A2078 10.006 -6.301 -0.038 1.00 0.75 H new ATOM 0 HG13 ILE A2078 9.046 -7.435 0.890 1.00 0.75 H new ATOM 0 HG21 ILE A2078 11.750 -5.255 0.999 1.00 0.80 H new ATOM 0 HG22 ILE A2078 12.032 -5.538 2.733 1.00 0.80 H new ATOM 0 HG23 ILE A2078 11.888 -6.917 1.618 1.00 0.80 H new ATOM 0 HD11 ILE A2078 7.618 -5.928 -0.398 1.00 1.62 H new ATOM 0 HD12 ILE A2078 7.382 -5.674 1.347 1.00 1.62 H new ATOM 0 HD13 ILE A2078 8.357 -4.522 0.404 1.00 1.62 H new ATOM 383 N PRO A2079 11.298 -7.205 5.064 1.00 0.72 N ATOM 384 CA PRO A2079 12.016 -6.875 6.300 1.00 0.79 C ATOM 385 C PRO A2079 12.659 -5.493 6.249 1.00 0.74 C ATOM 386 O PRO A2079 13.628 -5.269 5.520 1.00 0.76 O ATOM 387 CB PRO A2079 13.089 -7.959 6.389 1.00 0.94 C ATOM 388 CG PRO A2079 12.527 -9.107 5.630 1.00 0.98 C ATOM 389 CD PRO A2079 11.707 -8.511 4.521 1.00 0.85 C ATOM 0 HA PRO A2079 11.348 -6.845 7.161 1.00 0.79 H new ATOM 0 HB2 PRO A2079 14.031 -7.621 5.957 1.00 0.94 H new ATOM 0 HB3 PRO A2079 13.293 -8.230 7.425 1.00 0.94 H new ATOM 0 HG2 PRO A2079 13.322 -9.737 5.232 1.00 0.98 H new ATOM 0 HG3 PRO A2079 11.913 -9.737 6.274 1.00 0.98 H new ATOM 0 HD2 PRO A2079 12.288 -8.401 3.605 1.00 0.85 H new ATOM 0 HD3 PRO A2079 10.845 -9.133 4.279 1.00 0.85 H new ATOM 397 N GLY A2080 12.104 -4.571 7.023 1.00 0.73 N ATOM 398 CA GLY A2080 12.607 -3.215 7.051 1.00 0.76 C ATOM 399 C GLY A2080 11.677 -2.240 6.357 1.00 0.70 C ATOM 400 O GLY A2080 11.702 -1.043 6.642 1.00 0.94 O ATOM 0 H GLY A2080 11.307 -4.742 7.637 1.00 0.73 H new ATOM 0 HA2 GLY A2080 12.748 -2.904 8.086 1.00 0.76 H new ATOM 0 HA3 GLY A2080 13.586 -3.183 6.572 1.00 0.76 H new ATOM 404 N GLN A2081 10.837 -2.756 5.467 1.00 0.54 N ATOM 405 CA GLN A2081 9.950 -1.917 4.667 1.00 0.53 C ATOM 406 C GLN A2081 8.571 -1.835 5.310 1.00 0.50 C ATOM 407 O GLN A2081 7.875 -0.826 5.195 1.00 0.57 O ATOM 408 CB GLN A2081 9.839 -2.486 3.249 1.00 0.57 C ATOM 409 CG GLN A2081 9.000 -1.644 2.298 1.00 0.95 C ATOM 410 CD GLN A2081 9.016 -2.182 0.877 1.00 1.09 C ATOM 411 OE1 GLN A2081 10.003 -2.763 0.427 1.00 2.02 O ATOM 412 NE2 GLN A2081 7.917 -1.999 0.161 1.00 0.87 N ATOM 0 H GLN A2081 10.751 -3.755 5.280 1.00 0.54 H new ATOM 0 HA GLN A2081 10.367 -0.911 4.617 1.00 0.53 H new ATOM 0 HB2 GLN A2081 10.841 -2.592 2.834 1.00 0.57 H new ATOM 0 HB3 GLN A2081 9.410 -3.486 3.304 1.00 0.57 H new ATOM 0 HG2 GLN A2081 7.972 -1.610 2.659 1.00 0.95 H new ATOM 0 HG3 GLN A2081 9.373 -0.620 2.300 1.00 0.95 H new ATOM 0 HE21 GLN A2081 7.118 -1.512 0.568 1.00 0.87 H new ATOM 0 HE22 GLN A2081 7.869 -2.345 -0.797 1.00 0.87 H new ATOM 421 N GLY A2082 8.182 -2.906 5.984 1.00 0.47 N ATOM 422 CA GLY A2082 6.899 -2.936 6.653 1.00 0.50 C ATOM 423 C GLY A2082 5.963 -3.956 6.045 1.00 0.40 C ATOM 424 O GLY A2082 6.410 -4.953 5.471 1.00 0.45 O ATOM 0 H GLY A2082 8.734 -3.758 6.080 1.00 0.47 H new ATOM 0 HA2 GLY A2082 7.047 -3.164 7.709 1.00 0.50 H new ATOM 0 HA3 GLY A2082 6.441 -1.948 6.601 1.00 0.50 H new ATOM 428 N THR A2083 4.666 -3.723 6.178 1.00 0.33 N ATOM 429 CA THR A2083 3.669 -4.616 5.617 1.00 0.29 C ATOM 430 C THR A2083 2.408 -3.852 5.243 1.00 0.25 C ATOM 431 O THR A2083 2.028 -2.872 5.891 1.00 0.30 O ATOM 432 CB THR A2083 3.297 -5.757 6.593 1.00 0.36 C ATOM 433 OG1 THR A2083 4.484 -6.449 6.996 1.00 0.49 O ATOM 434 CG2 THR A2083 2.329 -6.752 5.950 1.00 0.36 C ATOM 0 H THR A2083 4.280 -2.919 6.672 1.00 0.33 H new ATOM 0 HA THR A2083 4.112 -5.056 4.724 1.00 0.29 H new ATOM 0 HB THR A2083 2.806 -5.312 7.458 1.00 0.36 H new ATOM 0 HG1 THR A2083 4.506 -7.334 6.575 1.00 0.49 H new ATOM 0 HG21 THR A2083 2.089 -7.540 6.664 1.00 0.36 H new ATOM 0 HG22 THR A2083 1.414 -6.235 5.660 1.00 0.36 H new ATOM 0 HG23 THR A2083 2.792 -7.192 5.067 1.00 0.36 H new ATOM 442 N TYR A2084 1.793 -4.292 4.169 1.00 0.28 N ATOM 443 CA TYR A2084 0.505 -3.791 3.757 1.00 0.34 C ATOM 444 C TYR A2084 -0.454 -4.972 3.741 1.00 0.32 C ATOM 445 O TYR A2084 -0.155 -5.992 3.122 1.00 0.29 O ATOM 446 CB TYR A2084 0.619 -3.150 2.370 1.00 0.43 C ATOM 447 CG TYR A2084 1.864 -2.300 2.203 1.00 0.44 C ATOM 448 CD1 TYR A2084 3.031 -2.841 1.678 1.00 1.13 C ATOM 449 CD2 TYR A2084 1.876 -0.966 2.581 1.00 1.38 C ATOM 450 CE1 TYR A2084 4.171 -2.078 1.536 1.00 1.15 C ATOM 451 CE2 TYR A2084 3.013 -0.194 2.439 1.00 1.44 C ATOM 452 CZ TYR A2084 4.156 -0.756 1.918 1.00 0.62 C ATOM 453 OH TYR A2084 5.291 0.004 1.780 1.00 0.76 O ATOM 0 H TYR A2084 2.175 -5.011 3.555 1.00 0.28 H new ATOM 0 HA TYR A2084 0.139 -3.025 4.441 1.00 0.34 H new ATOM 0 HB2 TYR A2084 0.619 -3.935 1.614 1.00 0.43 H new ATOM 0 HB3 TYR A2084 -0.261 -2.533 2.189 1.00 0.43 H new ATOM 0 HD1 TYR A2084 3.046 -3.878 1.376 1.00 1.13 H new ATOM 0 HD2 TYR A2084 0.982 -0.523 2.993 1.00 1.38 H new ATOM 0 HE1 TYR A2084 5.070 -2.515 1.127 1.00 1.15 H new ATOM 0 HE2 TYR A2084 3.005 0.845 2.735 1.00 1.44 H new ATOM 0 HH TYR A2084 5.206 0.579 0.991 1.00 0.76 H new ATOM 463 N THR A2085 -1.567 -4.870 4.454 1.00 0.39 N ATOM 464 CA THR A2085 -2.476 -6.003 4.576 1.00 0.40 C ATOM 465 C THR A2085 -3.917 -5.634 4.246 1.00 0.41 C ATOM 466 O THR A2085 -4.425 -4.599 4.686 1.00 0.49 O ATOM 467 CB THR A2085 -2.434 -6.611 5.995 1.00 0.46 C ATOM 468 OG1 THR A2085 -2.516 -5.574 6.983 1.00 0.63 O ATOM 469 CG2 THR A2085 -1.166 -7.419 6.212 1.00 0.57 C ATOM 0 H THR A2085 -1.860 -4.028 4.950 1.00 0.39 H new ATOM 0 HA THR A2085 -2.130 -6.738 3.849 1.00 0.40 H new ATOM 0 HB THR A2085 -3.290 -7.278 6.095 1.00 0.46 H new ATOM 0 HG1 THR A2085 -2.490 -5.972 7.878 1.00 0.63 H new ATOM 0 HG21 THR A2085 -1.167 -7.834 7.220 1.00 0.57 H new ATOM 0 HG22 THR A2085 -1.123 -8.231 5.486 1.00 0.57 H new ATOM 0 HG23 THR A2085 -0.297 -6.773 6.086 1.00 0.57 H new ATOM 477 N ILE A2086 -4.560 -6.486 3.459 1.00 0.39 N ATOM 478 CA ILE A2086 -5.991 -6.398 3.217 1.00 0.40 C ATOM 479 C ILE A2086 -6.642 -7.760 3.420 1.00 0.45 C ATOM 480 O ILE A2086 -6.243 -8.754 2.811 1.00 0.55 O ATOM 481 CB ILE A2086 -6.333 -5.871 1.795 1.00 0.47 C ATOM 482 CG1 ILE A2086 -7.758 -6.258 1.390 1.00 0.56 C ATOM 483 CG2 ILE A2086 -5.364 -6.385 0.762 1.00 0.57 C ATOM 484 CD1 ILE A2086 -8.828 -5.508 2.123 1.00 1.18 C ATOM 0 H ILE A2086 -4.103 -7.257 2.971 1.00 0.39 H new ATOM 0 HA ILE A2086 -6.384 -5.679 3.935 1.00 0.40 H new ATOM 0 HB ILE A2086 -6.254 -4.785 1.836 1.00 0.47 H new ATOM 0 HG12 ILE A2086 -7.879 -6.089 0.320 1.00 0.56 H new ATOM 0 HG13 ILE A2086 -7.895 -7.326 1.561 1.00 0.56 H new ATOM 0 HG21 ILE A2086 -5.636 -5.995 -0.219 1.00 0.57 H new ATOM 0 HG22 ILE A2086 -4.355 -6.059 1.015 1.00 0.57 H new ATOM 0 HG23 ILE A2086 -5.398 -7.474 0.741 1.00 0.57 H new ATOM 0 HD11 ILE A2086 -9.807 -5.841 1.778 1.00 1.18 H new ATOM 0 HD12 ILE A2086 -8.737 -5.696 3.193 1.00 1.18 H new ATOM 0 HD13 ILE A2086 -8.720 -4.440 1.932 1.00 1.18 H new ATOM 496 N VAL A2087 -7.627 -7.801 4.298 1.00 0.49 N ATOM 497 CA VAL A2087 -8.446 -8.984 4.469 1.00 0.59 C ATOM 498 C VAL A2087 -9.861 -8.683 3.984 1.00 0.58 C ATOM 499 O VAL A2087 -10.296 -7.526 4.026 1.00 0.53 O ATOM 500 CB VAL A2087 -8.464 -9.471 5.936 1.00 0.73 C ATOM 501 CG1 VAL A2087 -7.096 -9.994 6.344 1.00 0.78 C ATOM 502 CG2 VAL A2087 -8.903 -8.360 6.872 1.00 0.80 C ATOM 0 H VAL A2087 -7.879 -7.023 4.907 1.00 0.49 H new ATOM 0 HA VAL A2087 -8.014 -9.791 3.877 1.00 0.59 H new ATOM 0 HB VAL A2087 -9.185 -10.285 6.010 1.00 0.73 H new ATOM 0 HG11 VAL A2087 -7.130 -10.332 7.380 1.00 0.78 H new ATOM 0 HG12 VAL A2087 -6.818 -10.828 5.699 1.00 0.78 H new ATOM 0 HG13 VAL A2087 -6.358 -9.198 6.246 1.00 0.78 H new ATOM 0 HG21 VAL A2087 -8.907 -8.729 7.898 1.00 0.80 H new ATOM 0 HG22 VAL A2087 -8.212 -7.521 6.791 1.00 0.80 H new ATOM 0 HG23 VAL A2087 -9.906 -8.031 6.601 1.00 0.80 H new ATOM 512 N PRO A2088 -10.589 -9.717 3.509 1.00 0.66 N ATOM 513 CA PRO A2088 -11.874 -9.565 2.790 1.00 0.68 C ATOM 514 C PRO A2088 -12.948 -8.784 3.548 1.00 0.66 C ATOM 515 O PRO A2088 -14.014 -8.504 2.998 1.00 0.69 O ATOM 516 CB PRO A2088 -12.335 -11.008 2.573 1.00 0.81 C ATOM 517 CG PRO A2088 -11.086 -11.811 2.613 1.00 0.97 C ATOM 518 CD PRO A2088 -10.208 -11.139 3.627 1.00 0.78 C ATOM 0 HA PRO A2088 -11.727 -8.985 1.879 1.00 0.68 H new ATOM 0 HB2 PRO A2088 -13.033 -11.322 3.349 1.00 0.81 H new ATOM 0 HB3 PRO A2088 -12.848 -11.121 1.618 1.00 0.81 H new ATOM 0 HG2 PRO A2088 -11.292 -12.843 2.896 1.00 0.97 H new ATOM 0 HG3 PRO A2088 -10.606 -11.838 1.635 1.00 0.97 H new ATOM 0 HD2 PRO A2088 -10.386 -11.522 4.632 1.00 0.78 H new ATOM 0 HD3 PRO A2088 -9.151 -11.293 3.410 1.00 0.78 H new ATOM 526 N ASP A2089 -12.679 -8.437 4.800 1.00 0.67 N ATOM 527 CA ASP A2089 -13.595 -7.610 5.574 1.00 0.73 C ATOM 528 C ASP A2089 -13.664 -6.205 4.982 1.00 0.66 C ATOM 529 O ASP A2089 -14.656 -5.492 5.147 1.00 0.73 O ATOM 530 CB ASP A2089 -13.145 -7.542 7.034 1.00 0.85 C ATOM 531 CG ASP A2089 -14.136 -6.812 7.915 1.00 1.59 C ATOM 532 OD1 ASP A2089 -13.896 -5.636 8.250 1.00 2.29 O ATOM 533 OD2 ASP A2089 -15.165 -7.417 8.279 1.00 2.26 O ATOM 0 H ASP A2089 -11.835 -8.715 5.301 1.00 0.67 H new ATOM 0 HA ASP A2089 -14.587 -8.059 5.534 1.00 0.73 H new ATOM 0 HB2 ASP A2089 -13.003 -8.554 7.414 1.00 0.85 H new ATOM 0 HB3 ASP A2089 -12.178 -7.042 7.089 1.00 0.85 H new ATOM 538 N GLY A2090 -12.608 -5.826 4.272 1.00 0.59 N ATOM 539 CA GLY A2090 -12.555 -4.517 3.652 1.00 0.63 C ATOM 540 C GLY A2090 -11.653 -3.564 4.404 1.00 0.70 C ATOM 541 O GLY A2090 -11.751 -2.349 4.242 1.00 0.83 O ATOM 0 H GLY A2090 -11.784 -6.406 4.115 1.00 0.59 H new ATOM 0 HA2 GLY A2090 -12.200 -4.617 2.626 1.00 0.63 H new ATOM 0 HA3 GLY A2090 -13.561 -4.100 3.602 1.00 0.63 H new ATOM 545 N THR A2091 -10.760 -4.117 5.210 1.00 0.70 N ATOM 546 CA THR A2091 -9.878 -3.308 6.034 1.00 0.79 C ATOM 547 C THR A2091 -8.440 -3.402 5.535 1.00 0.60 C ATOM 548 O THR A2091 -7.897 -4.499 5.363 1.00 0.59 O ATOM 549 CB THR A2091 -9.960 -3.719 7.525 1.00 1.05 C ATOM 550 OG1 THR A2091 -8.921 -3.088 8.281 1.00 1.51 O ATOM 551 CG2 THR A2091 -9.868 -5.225 7.694 1.00 0.86 C ATOM 0 H THR A2091 -10.627 -5.123 5.311 1.00 0.70 H new ATOM 0 HA THR A2091 -10.210 -2.273 5.954 1.00 0.79 H new ATOM 0 HB THR A2091 -10.929 -3.389 7.898 1.00 1.05 H new ATOM 0 HG1 THR A2091 -8.990 -3.358 9.221 1.00 1.51 H new ATOM 0 HG21 THR A2091 -9.929 -5.477 8.753 1.00 0.86 H new ATOM 0 HG22 THR A2091 -10.690 -5.702 7.160 1.00 0.86 H new ATOM 0 HG23 THR A2091 -8.919 -5.579 7.291 1.00 0.86 H new ATOM 559 N VAL A2092 -7.834 -2.247 5.283 1.00 0.60 N ATOM 560 CA VAL A2092 -6.475 -2.187 4.765 1.00 0.54 C ATOM 561 C VAL A2092 -5.656 -1.177 5.546 1.00 0.55 C ATOM 562 O VAL A2092 -6.136 -0.087 5.858 1.00 0.78 O ATOM 563 CB VAL A2092 -6.432 -1.775 3.278 1.00 0.79 C ATOM 564 CG1 VAL A2092 -5.058 -2.033 2.681 1.00 1.02 C ATOM 565 CG2 VAL A2092 -7.500 -2.490 2.483 1.00 1.18 C ATOM 0 H VAL A2092 -8.267 -1.335 5.431 1.00 0.60 H new ATOM 0 HA VAL A2092 -6.063 -3.191 4.869 1.00 0.54 H new ATOM 0 HB VAL A2092 -6.631 -0.705 3.226 1.00 0.79 H new ATOM 0 HG11 VAL A2092 -5.055 -1.734 1.633 1.00 1.02 H new ATOM 0 HG12 VAL A2092 -4.311 -1.456 3.225 1.00 1.02 H new ATOM 0 HG13 VAL A2092 -4.822 -3.094 2.756 1.00 1.02 H new ATOM 0 HG21 VAL A2092 -7.446 -2.180 1.439 1.00 1.18 H new ATOM 0 HG22 VAL A2092 -7.344 -3.567 2.550 1.00 1.18 H new ATOM 0 HG23 VAL A2092 -8.482 -2.240 2.885 1.00 1.18 H new ATOM 575 N THR A2093 -4.431 -1.535 5.862 1.00 0.47 N ATOM 576 CA THR A2093 -3.521 -0.602 6.485 1.00 0.53 C ATOM 577 C THR A2093 -2.297 -0.393 5.603 1.00 0.44 C ATOM 578 O THR A2093 -1.570 -1.340 5.288 1.00 0.41 O ATOM 579 CB THR A2093 -3.098 -1.064 7.903 1.00 0.71 C ATOM 580 OG1 THR A2093 -2.133 -0.156 8.456 1.00 1.46 O ATOM 581 CG2 THR A2093 -2.526 -2.475 7.888 1.00 0.71 C ATOM 0 H THR A2093 -4.043 -2.464 5.698 1.00 0.47 H new ATOM 0 HA THR A2093 -4.046 0.347 6.597 1.00 0.53 H new ATOM 0 HB THR A2093 -3.993 -1.068 8.526 1.00 0.71 H new ATOM 0 HG1 THR A2093 -1.229 -0.485 8.268 1.00 1.46 H new ATOM 0 HG21 THR A2093 -2.241 -2.763 8.900 1.00 0.71 H new ATOM 0 HG22 THR A2093 -3.278 -3.168 7.512 1.00 0.71 H new ATOM 0 HG23 THR A2093 -1.649 -2.505 7.242 1.00 0.71 H new ATOM 589 N PHE A2094 -2.096 0.840 5.159 1.00 0.46 N ATOM 590 CA PHE A2094 -0.888 1.179 4.431 1.00 0.42 C ATOM 591 C PHE A2094 0.205 1.519 5.433 1.00 0.43 C ATOM 592 O PHE A2094 0.263 2.642 5.933 1.00 0.52 O ATOM 593 CB PHE A2094 -1.130 2.366 3.470 1.00 0.51 C ATOM 594 CG PHE A2094 -1.927 2.026 2.231 1.00 0.47 C ATOM 595 CD1 PHE A2094 -2.077 2.956 1.202 1.00 1.21 C ATOM 596 CD2 PHE A2094 -2.510 0.777 2.077 1.00 1.26 C ATOM 597 CE1 PHE A2094 -2.782 2.638 0.062 1.00 1.23 C ATOM 598 CE2 PHE A2094 -3.220 0.462 0.937 1.00 1.27 C ATOM 599 CZ PHE A2094 -3.354 1.391 -0.071 1.00 0.55 C ATOM 0 H PHE A2094 -2.748 1.613 5.290 1.00 0.46 H new ATOM 0 HA PHE A2094 -0.583 0.326 3.824 1.00 0.42 H new ATOM 0 HB2 PHE A2094 -1.649 3.155 4.014 1.00 0.51 H new ATOM 0 HB3 PHE A2094 -0.165 2.771 3.165 1.00 0.51 H new ATOM 0 HD1 PHE A2094 -1.635 3.937 1.300 1.00 1.21 H new ATOM 0 HD2 PHE A2094 -2.407 0.041 2.860 1.00 1.26 H new ATOM 0 HE1 PHE A2094 -2.887 3.367 -0.728 1.00 1.23 H new ATOM 0 HE2 PHE A2094 -3.671 -0.514 0.835 1.00 1.27 H new ATOM 0 HZ PHE A2094 -3.907 1.143 -0.965 1.00 0.55 H new ATOM 609 N THR A2095 1.063 0.549 5.740 1.00 0.37 N ATOM 610 CA THR A2095 2.119 0.764 6.714 1.00 0.39 C ATOM 611 C THR A2095 3.497 0.640 6.057 1.00 0.37 C ATOM 612 O THR A2095 4.094 -0.438 6.033 1.00 0.37 O ATOM 613 CB THR A2095 2.001 -0.250 7.874 1.00 0.47 C ATOM 614 OG1 THR A2095 0.643 -0.302 8.346 1.00 0.58 O ATOM 615 CG2 THR A2095 2.920 0.130 9.027 1.00 0.58 C ATOM 0 H THR A2095 1.045 -0.385 5.330 1.00 0.37 H new ATOM 0 HA THR A2095 2.009 1.773 7.112 1.00 0.39 H new ATOM 0 HB THR A2095 2.298 -1.229 7.497 1.00 0.47 H new ATOM 0 HG1 THR A2095 0.576 -0.948 9.080 1.00 0.58 H new ATOM 0 HG21 THR A2095 2.817 -0.600 9.830 1.00 0.58 H new ATOM 0 HG22 THR A2095 3.953 0.144 8.679 1.00 0.58 H new ATOM 0 HG23 THR A2095 2.648 1.118 9.398 1.00 0.58 H new ATOM 623 N PRO A2096 4.004 1.750 5.497 1.00 0.50 N ATOM 624 CA PRO A2096 5.327 1.809 4.896 1.00 0.61 C ATOM 625 C PRO A2096 6.397 2.268 5.886 1.00 0.69 C ATOM 626 O PRO A2096 6.085 2.716 6.992 1.00 0.81 O ATOM 627 CB PRO A2096 5.133 2.850 3.798 1.00 0.88 C ATOM 628 CG PRO A2096 4.108 3.798 4.340 1.00 0.98 C ATOM 629 CD PRO A2096 3.315 3.047 5.387 1.00 0.69 C ATOM 0 HA PRO A2096 5.674 0.838 4.544 1.00 0.61 H new ATOM 0 HB2 PRO A2096 6.067 3.365 3.573 1.00 0.88 H new ATOM 0 HB3 PRO A2096 4.792 2.388 2.871 1.00 0.88 H new ATOM 0 HG2 PRO A2096 4.587 4.675 4.776 1.00 0.98 H new ATOM 0 HG3 PRO A2096 3.454 4.154 3.544 1.00 0.98 H new ATOM 0 HD2 PRO A2096 3.309 3.577 6.339 1.00 0.69 H new ATOM 0 HD3 PRO A2096 2.275 2.922 5.086 1.00 0.69 H new ATOM 637 N ASP A2097 7.654 2.148 5.486 1.00 0.89 N ATOM 638 CA ASP A2097 8.757 2.711 6.251 1.00 1.14 C ATOM 639 C ASP A2097 9.469 3.748 5.397 1.00 1.37 C ATOM 640 O ASP A2097 10.185 3.405 4.457 1.00 1.39 O ATOM 641 CB ASP A2097 9.740 1.624 6.685 1.00 1.24 C ATOM 642 CG ASP A2097 10.690 2.100 7.769 1.00 2.06 C ATOM 643 OD1 ASP A2097 11.652 2.834 7.459 1.00 2.61 O ATOM 644 OD2 ASP A2097 10.483 1.730 8.945 1.00 2.72 O ATOM 0 H ASP A2097 7.936 1.664 4.634 1.00 0.89 H new ATOM 0 HA ASP A2097 8.360 3.178 7.153 1.00 1.14 H new ATOM 0 HB2 ASP A2097 9.184 0.759 7.047 1.00 1.24 H new ATOM 0 HB3 ASP A2097 10.316 1.293 5.821 1.00 1.24 H new ATOM 649 N LYS A2098 9.263 5.012 5.729 1.00 1.89 N ATOM 650 CA LYS A2098 9.729 6.118 4.897 1.00 2.37 C ATOM 651 C LYS A2098 11.248 6.249 4.911 1.00 2.32 C ATOM 652 O LYS A2098 11.816 7.005 4.121 1.00 2.66 O ATOM 653 CB LYS A2098 9.104 7.431 5.373 1.00 3.03 C ATOM 654 CG LYS A2098 7.585 7.419 5.404 1.00 3.48 C ATOM 655 CD LYS A2098 7.034 8.760 5.855 1.00 4.03 C ATOM 656 CE LYS A2098 5.521 8.736 5.971 1.00 4.43 C ATOM 657 NZ LYS A2098 4.972 10.081 6.286 1.00 4.81 N ATOM 0 H LYS A2098 8.773 5.303 6.575 1.00 1.89 H new ATOM 0 HA LYS A2098 9.420 5.903 3.874 1.00 2.37 H new ATOM 0 HB2 LYS A2098 9.475 7.656 6.373 1.00 3.03 H new ATOM 0 HB3 LYS A2098 9.437 8.237 4.720 1.00 3.03 H new ATOM 0 HG2 LYS A2098 7.200 7.180 4.413 1.00 3.48 H new ATOM 0 HG3 LYS A2098 7.239 6.635 6.078 1.00 3.48 H new ATOM 0 HD2 LYS A2098 7.468 9.026 6.819 1.00 4.03 H new ATOM 0 HD3 LYS A2098 7.332 9.533 5.146 1.00 4.03 H new ATOM 0 HE2 LYS A2098 5.090 8.377 5.036 1.00 4.43 H new ATOM 0 HE3 LYS A2098 5.227 8.032 6.749 1.00 4.43 H new ATOM 0 HZ1 LYS A2098 3.936 10.025 6.357 1.00 4.81 H new ATOM 0 HZ2 LYS A2098 5.364 10.413 7.190 1.00 4.81 H new ATOM 0 HZ3 LYS A2098 5.231 10.747 5.531 1.00 4.81 H new ATOM 671 N GLN A2099 11.906 5.517 5.800 1.00 2.03 N ATOM 672 CA GLN A2099 13.345 5.644 5.960 1.00 2.09 C ATOM 673 C GLN A2099 14.065 4.398 5.459 1.00 1.67 C ATOM 674 O GLN A2099 15.275 4.251 5.648 1.00 1.81 O ATOM 675 CB GLN A2099 13.697 5.899 7.427 1.00 2.41 C ATOM 676 CG GLN A2099 13.021 7.130 8.008 1.00 2.99 C ATOM 677 CD GLN A2099 13.425 7.409 9.443 1.00 3.86 C ATOM 678 OE1 GLN A2099 13.724 6.365 10.195 1.00 4.40 O flip ATOM 679 NE2 GLN A2099 13.452 8.561 9.877 1.00 4.42 N flip ATOM 0 H GLN A2099 11.468 4.833 6.417 1.00 2.03 H new ATOM 0 HA GLN A2099 13.676 6.493 5.362 1.00 2.09 H new ATOM 0 HB2 GLN A2099 13.415 5.027 8.017 1.00 2.41 H new ATOM 0 HB3 GLN A2099 14.777 6.010 7.519 1.00 2.41 H new ATOM 0 HG2 GLN A2099 13.266 7.996 7.393 1.00 2.99 H new ATOM 0 HG3 GLN A2099 11.940 7.000 7.960 1.00 2.99 H new ATOM 0 HE21 GLN A2099 13.215 9.342 9.265 1.00 4.42 H new ATOM 0 HE22 GLN A2099 13.712 8.734 10.848 1.00 4.42 H new ATOM 688 N PHE A2100 13.332 3.509 4.812 1.00 1.40 N ATOM 689 CA PHE A2100 13.919 2.280 4.308 1.00 1.20 C ATOM 690 C PHE A2100 14.448 2.471 2.890 1.00 1.31 C ATOM 691 O PHE A2100 13.821 2.059 1.915 1.00 1.72 O ATOM 692 CB PHE A2100 12.902 1.136 4.349 1.00 1.32 C ATOM 693 CG PHE A2100 13.490 -0.199 3.980 1.00 1.46 C ATOM 694 CD1 PHE A2100 13.019 -0.902 2.884 1.00 1.93 C ATOM 695 CD2 PHE A2100 14.519 -0.747 4.730 1.00 2.04 C ATOM 696 CE1 PHE A2100 13.562 -2.126 2.543 1.00 2.23 C ATOM 697 CE2 PHE A2100 15.064 -1.970 4.394 1.00 2.36 C ATOM 698 CZ PHE A2100 14.586 -2.660 3.299 1.00 2.18 C ATOM 0 H PHE A2100 12.335 3.614 4.624 1.00 1.40 H new ATOM 0 HA PHE A2100 14.758 2.019 4.954 1.00 1.20 H new ATOM 0 HB2 PHE A2100 12.477 1.073 5.351 1.00 1.32 H new ATOM 0 HB3 PHE A2100 12.082 1.364 3.668 1.00 1.32 H new ATOM 0 HD1 PHE A2100 12.218 -0.489 2.289 1.00 1.93 H new ATOM 0 HD2 PHE A2100 14.899 -0.211 5.587 1.00 2.04 H new ATOM 0 HE1 PHE A2100 13.186 -2.664 1.686 1.00 2.23 H new ATOM 0 HE2 PHE A2100 15.864 -2.386 4.988 1.00 2.36 H new ATOM 0 HZ PHE A2100 15.012 -3.616 3.034 1.00 2.18 H new ATOM 708 N VAL A2101 15.597 3.115 2.780 1.00 1.55 N ATOM 709 CA VAL A2101 16.260 3.247 1.497 1.00 1.92 C ATOM 710 C VAL A2101 17.441 2.287 1.417 1.00 2.31 C ATOM 711 O VAL A2101 18.316 2.275 2.288 1.00 2.68 O ATOM 712 CB VAL A2101 16.720 4.700 1.213 1.00 2.35 C ATOM 713 CG1 VAL A2101 17.570 5.258 2.345 1.00 2.67 C ATOM 714 CG2 VAL A2101 17.474 4.767 -0.106 1.00 2.45 C ATOM 0 H VAL A2101 16.087 3.552 3.560 1.00 1.55 H new ATOM 0 HA VAL A2101 15.532 2.991 0.728 1.00 1.92 H new ATOM 0 HB VAL A2101 15.827 5.321 1.142 1.00 2.35 H new ATOM 0 HG11 VAL A2101 17.871 6.278 2.105 1.00 2.67 H new ATOM 0 HG12 VAL A2101 16.991 5.258 3.269 1.00 2.67 H new ATOM 0 HG13 VAL A2101 18.458 4.638 2.473 1.00 2.67 H new ATOM 0 HG21 VAL A2101 17.791 5.793 -0.292 1.00 2.45 H new ATOM 0 HG22 VAL A2101 18.350 4.120 -0.058 1.00 2.45 H new ATOM 0 HG23 VAL A2101 16.822 4.436 -0.915 1.00 2.45 H new ATOM 724 N GLY A2102 17.437 1.464 0.384 1.00 2.55 N ATOM 725 CA GLY A2102 18.468 0.465 0.210 1.00 3.15 C ATOM 726 C GLY A2102 18.052 -0.573 -0.807 1.00 3.22 C ATOM 727 O GLY A2102 18.423 -0.488 -1.977 1.00 3.84 O ATOM 0 H GLY A2102 16.727 1.471 -0.348 1.00 2.55 H new ATOM 0 HA2 GLY A2102 19.393 0.944 -0.112 1.00 3.15 H new ATOM 0 HA3 GLY A2102 18.675 -0.019 1.165 1.00 3.15 H new ATOM 731 N LYS A2103 17.264 -1.543 -0.371 1.00 2.91 N ATOM 732 CA LYS A2103 16.727 -2.543 -1.281 1.00 3.06 C ATOM 733 C LYS A2103 15.275 -2.875 -0.925 1.00 2.39 C ATOM 734 O LYS A2103 14.994 -3.901 -0.304 1.00 2.33 O ATOM 735 CB LYS A2103 17.592 -3.810 -1.264 1.00 3.80 C ATOM 736 CG LYS A2103 17.167 -4.858 -2.288 1.00 4.59 C ATOM 737 CD LYS A2103 17.279 -4.333 -3.712 1.00 5.33 C ATOM 738 CE LYS A2103 16.728 -5.328 -4.720 1.00 6.21 C ATOM 739 NZ LYS A2103 17.451 -6.628 -4.679 1.00 6.78 N ATOM 0 H LYS A2103 16.983 -1.659 0.603 1.00 2.91 H new ATOM 0 HA LYS A2103 16.745 -2.131 -2.290 1.00 3.06 H new ATOM 0 HB2 LYS A2103 18.630 -3.533 -1.450 1.00 3.80 H new ATOM 0 HB3 LYS A2103 17.554 -4.252 -0.268 1.00 3.80 H new ATOM 0 HG2 LYS A2103 17.788 -5.747 -2.178 1.00 4.59 H new ATOM 0 HG3 LYS A2103 16.139 -5.162 -2.092 1.00 4.59 H new ATOM 0 HD2 LYS A2103 16.738 -3.391 -3.797 1.00 5.33 H new ATOM 0 HD3 LYS A2103 18.323 -4.122 -3.942 1.00 5.33 H new ATOM 0 HE2 LYS A2103 15.670 -5.496 -4.521 1.00 6.21 H new ATOM 0 HE3 LYS A2103 16.800 -4.905 -5.722 1.00 6.21 H new ATOM 0 HZ1 LYS A2103 17.135 -7.226 -5.469 1.00 6.78 H new ATOM 0 HZ2 LYS A2103 18.474 -6.459 -4.760 1.00 6.78 H new ATOM 0 HZ3 LYS A2103 17.250 -7.109 -3.779 1.00 6.78 H new ATOM 753 N PRO A2104 14.338 -1.986 -1.285 1.00 2.06 N ATOM 754 CA PRO A2104 12.907 -2.227 -1.129 1.00 1.50 C ATOM 755 C PRO A2104 12.361 -3.095 -2.259 1.00 1.35 C ATOM 756 O PRO A2104 13.052 -3.354 -3.250 1.00 1.62 O ATOM 757 CB PRO A2104 12.286 -0.820 -1.192 1.00 1.62 C ATOM 758 CG PRO A2104 13.432 0.135 -1.329 1.00 2.21 C ATOM 759 CD PRO A2104 14.586 -0.664 -1.858 1.00 2.43 C ATOM 0 HA PRO A2104 12.679 -2.758 -0.205 1.00 1.50 H new ATOM 0 HB2 PRO A2104 11.603 -0.733 -2.037 1.00 1.62 H new ATOM 0 HB3 PRO A2104 11.708 -0.609 -0.292 1.00 1.62 H new ATOM 0 HG2 PRO A2104 13.180 0.950 -2.008 1.00 2.21 H new ATOM 0 HG3 PRO A2104 13.679 0.586 -0.368 1.00 2.21 H new ATOM 0 HD2 PRO A2104 14.598 -0.689 -2.948 1.00 2.43 H new ATOM 0 HD3 PRO A2104 15.544 -0.255 -1.538 1.00 2.43 H new ATOM 767 N ASP A2105 11.131 -3.553 -2.110 1.00 1.04 N ATOM 768 CA ASP A2105 10.492 -4.359 -3.141 1.00 0.98 C ATOM 769 C ASP A2105 9.494 -3.517 -3.923 1.00 0.79 C ATOM 770 O ASP A2105 8.618 -2.884 -3.331 1.00 0.78 O ATOM 771 CB ASP A2105 9.788 -5.568 -2.519 1.00 1.06 C ATOM 772 CG ASP A2105 9.102 -6.453 -3.543 1.00 1.66 C ATOM 773 OD1 ASP A2105 7.855 -6.521 -3.545 1.00 2.16 O ATOM 774 OD2 ASP A2105 9.806 -7.105 -4.343 1.00 2.33 O ATOM 0 H ASP A2105 10.553 -3.382 -1.287 1.00 1.04 H new ATOM 0 HA ASP A2105 11.261 -4.719 -3.824 1.00 0.98 H new ATOM 0 HB2 ASP A2105 10.517 -6.161 -1.967 1.00 1.06 H new ATOM 0 HB3 ASP A2105 9.049 -5.219 -1.797 1.00 1.06 H new ATOM 779 N PRO A2106 9.635 -3.475 -5.259 1.00 0.77 N ATOM 780 CA PRO A2106 8.732 -2.714 -6.128 1.00 0.73 C ATOM 781 C PRO A2106 7.301 -3.238 -6.061 1.00 0.61 C ATOM 782 O PRO A2106 6.978 -4.277 -6.637 1.00 0.74 O ATOM 783 CB PRO A2106 9.315 -2.915 -7.533 1.00 0.87 C ATOM 784 CG PRO A2106 10.167 -4.133 -7.434 1.00 1.03 C ATOM 785 CD PRO A2106 10.688 -4.163 -6.026 1.00 0.93 C ATOM 0 HA PRO A2106 8.671 -1.666 -5.834 1.00 0.73 H new ATOM 0 HB2 PRO A2106 8.524 -3.047 -8.272 1.00 0.87 H new ATOM 0 HB3 PRO A2106 9.900 -2.050 -7.844 1.00 0.87 H new ATOM 0 HG2 PRO A2106 9.590 -5.031 -7.655 1.00 1.03 H new ATOM 0 HG3 PRO A2106 10.986 -4.095 -8.152 1.00 1.03 H new ATOM 0 HD2 PRO A2106 10.839 -5.184 -5.675 1.00 0.93 H new ATOM 0 HD3 PRO A2106 11.647 -3.651 -5.941 1.00 0.93 H new ATOM 793 N VAL A2107 6.450 -2.519 -5.348 1.00 0.48 N ATOM 794 CA VAL A2107 5.077 -2.942 -5.155 1.00 0.37 C ATOM 795 C VAL A2107 4.125 -1.751 -5.202 1.00 0.35 C ATOM 796 O VAL A2107 4.387 -0.701 -4.605 1.00 0.60 O ATOM 797 CB VAL A2107 4.906 -3.695 -3.813 1.00 0.41 C ATOM 798 CG1 VAL A2107 5.366 -2.835 -2.642 1.00 0.54 C ATOM 799 CG2 VAL A2107 3.462 -4.138 -3.621 1.00 0.46 C ATOM 0 H VAL A2107 6.689 -1.638 -4.893 1.00 0.48 H new ATOM 0 HA VAL A2107 4.830 -3.622 -5.970 1.00 0.37 H new ATOM 0 HB VAL A2107 5.534 -4.585 -3.846 1.00 0.41 H new ATOM 0 HG11 VAL A2107 5.235 -3.387 -1.711 1.00 0.54 H new ATOM 0 HG12 VAL A2107 6.418 -2.581 -2.768 1.00 0.54 H new ATOM 0 HG13 VAL A2107 4.774 -1.921 -2.607 1.00 0.54 H new ATOM 0 HG21 VAL A2107 3.366 -4.665 -2.672 1.00 0.46 H new ATOM 0 HG22 VAL A2107 2.811 -3.264 -3.618 1.00 0.46 H new ATOM 0 HG23 VAL A2107 3.174 -4.803 -4.435 1.00 0.46 H new ATOM 809 N THR A2108 3.043 -1.913 -5.941 1.00 0.32 N ATOM 810 CA THR A2108 1.978 -0.935 -5.965 1.00 0.30 C ATOM 811 C THR A2108 0.810 -1.418 -5.111 1.00 0.30 C ATOM 812 O THR A2108 0.102 -2.365 -5.469 1.00 0.33 O ATOM 813 CB THR A2108 1.498 -0.665 -7.402 1.00 0.33 C ATOM 814 OG1 THR A2108 2.605 -0.252 -8.215 1.00 0.37 O ATOM 815 CG2 THR A2108 0.418 0.409 -7.425 1.00 0.35 C ATOM 0 H THR A2108 2.881 -2.724 -6.538 1.00 0.32 H new ATOM 0 HA THR A2108 2.367 -0.002 -5.557 1.00 0.30 H new ATOM 0 HB THR A2108 1.075 -1.588 -7.799 1.00 0.33 H new ATOM 0 HG1 THR A2108 2.295 -0.083 -9.129 1.00 0.37 H new ATOM 0 HG21 THR A2108 0.097 0.580 -8.452 1.00 0.35 H new ATOM 0 HG22 THR A2108 -0.433 0.082 -6.828 1.00 0.35 H new ATOM 0 HG23 THR A2108 0.817 1.335 -7.011 1.00 0.35 H new ATOM 823 N VAL A2109 0.627 -0.771 -3.975 1.00 0.38 N ATOM 824 CA VAL A2109 -0.438 -1.116 -3.048 1.00 0.46 C ATOM 825 C VAL A2109 -1.670 -0.288 -3.387 1.00 0.52 C ATOM 826 O VAL A2109 -1.591 0.935 -3.408 1.00 0.61 O ATOM 827 CB VAL A2109 -0.005 -0.820 -1.597 1.00 0.60 C ATOM 828 CG1 VAL A2109 -0.958 -1.460 -0.607 1.00 0.76 C ATOM 829 CG2 VAL A2109 1.426 -1.283 -1.352 1.00 0.61 C ATOM 0 H VAL A2109 1.211 0.007 -3.668 1.00 0.38 H new ATOM 0 HA VAL A2109 -0.661 -2.179 -3.135 1.00 0.46 H new ATOM 0 HB VAL A2109 -0.040 0.259 -1.448 1.00 0.60 H new ATOM 0 HG11 VAL A2109 -0.631 -1.237 0.409 1.00 0.76 H new ATOM 0 HG12 VAL A2109 -1.962 -1.064 -0.760 1.00 0.76 H new ATOM 0 HG13 VAL A2109 -0.967 -2.540 -0.756 1.00 0.76 H new ATOM 0 HG21 VAL A2109 1.708 -1.063 -0.322 1.00 0.61 H new ATOM 0 HG22 VAL A2109 1.496 -2.357 -1.526 1.00 0.61 H new ATOM 0 HG23 VAL A2109 2.099 -0.760 -2.032 1.00 0.61 H new ATOM 839 N LYS A2110 -2.800 -0.936 -3.659 1.00 0.53 N ATOM 840 CA LYS A2110 -3.943 -0.227 -4.209 1.00 0.63 C ATOM 841 C LYS A2110 -5.228 -0.511 -3.431 1.00 0.70 C ATOM 842 O LYS A2110 -5.392 -1.571 -2.830 1.00 0.99 O ATOM 843 CB LYS A2110 -4.113 -0.609 -5.693 1.00 0.67 C ATOM 844 CG LYS A2110 -5.250 0.116 -6.408 1.00 0.85 C ATOM 845 CD LYS A2110 -6.530 -0.712 -6.423 1.00 1.03 C ATOM 846 CE LYS A2110 -6.422 -1.871 -7.399 1.00 1.11 C ATOM 847 NZ LYS A2110 -7.554 -2.826 -7.280 1.00 1.63 N ATOM 0 H LYS A2110 -2.944 -1.935 -3.509 1.00 0.53 H new ATOM 0 HA LYS A2110 -3.752 0.843 -4.122 1.00 0.63 H new ATOM 0 HB2 LYS A2110 -3.180 -0.401 -6.217 1.00 0.67 H new ATOM 0 HB3 LYS A2110 -4.285 -1.683 -5.761 1.00 0.67 H new ATOM 0 HG2 LYS A2110 -5.440 1.069 -5.915 1.00 0.85 H new ATOM 0 HG3 LYS A2110 -4.951 0.341 -7.432 1.00 0.85 H new ATOM 0 HD2 LYS A2110 -6.731 -1.093 -5.422 1.00 1.03 H new ATOM 0 HD3 LYS A2110 -7.373 -0.078 -6.698 1.00 1.03 H new ATOM 0 HE2 LYS A2110 -6.385 -1.482 -8.417 1.00 1.11 H new ATOM 0 HE3 LYS A2110 -5.485 -2.401 -7.226 1.00 1.11 H new ATOM 0 HZ1 LYS A2110 -7.768 -3.229 -8.215 1.00 1.63 H new ATOM 0 HZ2 LYS A2110 -7.295 -3.591 -6.625 1.00 1.63 H new ATOM 0 HZ3 LYS A2110 -8.392 -2.328 -6.917 1.00 1.63 H new ATOM 861 N ARG A2111 -6.105 0.480 -3.420 1.00 0.52 N ATOM 862 CA ARG A2111 -7.491 0.313 -3.008 1.00 0.54 C ATOM 863 C ARG A2111 -8.265 1.550 -3.427 1.00 0.44 C ATOM 864 O ARG A2111 -7.759 2.664 -3.314 1.00 0.47 O ATOM 865 CB ARG A2111 -7.626 0.070 -1.498 1.00 0.62 C ATOM 866 CG ARG A2111 -6.935 1.099 -0.628 1.00 0.62 C ATOM 867 CD ARG A2111 -7.225 0.859 0.842 1.00 0.87 C ATOM 868 NE ARG A2111 -6.429 1.724 1.711 1.00 1.86 N ATOM 869 CZ ARG A2111 -6.613 1.828 3.027 1.00 2.47 C ATOM 870 NH1 ARG A2111 -7.633 1.215 3.613 1.00 2.41 N ATOM 871 NH2 ARG A2111 -5.796 2.574 3.754 1.00 3.47 N ATOM 0 H ARG A2111 -5.873 1.433 -3.700 1.00 0.52 H new ATOM 0 HA ARG A2111 -7.898 -0.573 -3.495 1.00 0.54 H new ATOM 0 HB2 ARG A2111 -8.685 0.048 -1.240 1.00 0.62 H new ATOM 0 HB3 ARG A2111 -7.221 -0.915 -1.264 1.00 0.62 H new ATOM 0 HG2 ARG A2111 -5.859 1.061 -0.800 1.00 0.62 H new ATOM 0 HG3 ARG A2111 -7.268 2.098 -0.908 1.00 0.62 H new ATOM 0 HD2 ARG A2111 -8.284 1.030 1.034 1.00 0.87 H new ATOM 0 HD3 ARG A2111 -7.021 -0.184 1.085 1.00 0.87 H new ATOM 0 HE ARG A2111 -5.689 2.281 1.285 1.00 1.86 H new ATOM 0 HH11 ARG A2111 -8.283 0.660 3.056 1.00 2.41 H new ATOM 0 HH12 ARG A2111 -7.768 1.299 4.621 1.00 2.41 H new ATOM 0 HH21 ARG A2111 -5.025 3.070 3.307 1.00 3.47 H new ATOM 0 HH22 ARG A2111 -5.938 2.653 4.761 1.00 3.47 H new ATOM 885 N VAL A2112 -9.466 1.363 -3.940 1.00 0.35 N ATOM 886 CA VAL A2112 -10.230 2.491 -4.456 1.00 0.28 C ATOM 887 C VAL A2112 -11.247 2.973 -3.429 1.00 0.25 C ATOM 888 O VAL A2112 -11.734 2.198 -2.612 1.00 0.29 O ATOM 889 CB VAL A2112 -10.940 2.141 -5.783 1.00 0.31 C ATOM 890 CG1 VAL A2112 -9.919 1.836 -6.869 1.00 0.40 C ATOM 891 CG2 VAL A2112 -11.894 0.971 -5.606 1.00 0.32 C ATOM 0 H VAL A2112 -9.931 0.458 -4.012 1.00 0.35 H new ATOM 0 HA VAL A2112 -9.522 3.295 -4.655 1.00 0.28 H new ATOM 0 HB VAL A2112 -11.526 3.008 -6.088 1.00 0.31 H new ATOM 0 HG11 VAL A2112 -10.437 1.592 -7.797 1.00 0.40 H new ATOM 0 HG12 VAL A2112 -9.284 2.708 -7.027 1.00 0.40 H new ATOM 0 HG13 VAL A2112 -9.304 0.990 -6.563 1.00 0.40 H new ATOM 0 HG21 VAL A2112 -12.378 0.749 -6.557 1.00 0.32 H new ATOM 0 HG22 VAL A2112 -11.338 0.096 -5.269 1.00 0.32 H new ATOM 0 HG23 VAL A2112 -12.651 1.228 -4.865 1.00 0.32 H new ATOM 901 N ASP A2113 -11.529 4.268 -3.456 1.00 0.26 N ATOM 902 CA ASP A2113 -12.472 4.865 -2.518 1.00 0.31 C ATOM 903 C ASP A2113 -13.869 4.924 -3.131 1.00 0.33 C ATOM 904 O ASP A2113 -14.115 4.322 -4.179 1.00 0.34 O ATOM 905 CB ASP A2113 -12.015 6.272 -2.112 1.00 0.40 C ATOM 906 CG ASP A2113 -12.326 7.316 -3.167 1.00 0.55 C ATOM 907 OD1 ASP A2113 -11.665 7.331 -4.216 1.00 0.85 O ATOM 908 OD2 ASP A2113 -13.248 8.122 -2.948 1.00 1.46 O ATOM 0 H ASP A2113 -11.118 4.927 -4.118 1.00 0.26 H new ATOM 0 HA ASP A2113 -12.506 4.240 -1.626 1.00 0.31 H new ATOM 0 HB2 ASP A2113 -12.500 6.551 -1.177 1.00 0.40 H new ATOM 0 HB3 ASP A2113 -10.941 6.261 -1.924 1.00 0.40 H new ATOM 913 N LYS A2114 -14.776 5.648 -2.487 1.00 0.40 N ATOM 914 CA LYS A2114 -16.147 5.778 -2.972 1.00 0.46 C ATOM 915 C LYS A2114 -16.193 6.467 -4.339 1.00 0.52 C ATOM 916 O LYS A2114 -17.054 6.166 -5.166 1.00 0.65 O ATOM 917 CB LYS A2114 -16.989 6.546 -1.953 1.00 0.55 C ATOM 918 CG LYS A2114 -17.105 5.821 -0.624 1.00 0.58 C ATOM 919 CD LYS A2114 -17.880 6.621 0.405 1.00 0.69 C ATOM 920 CE LYS A2114 -18.087 5.818 1.680 1.00 0.83 C ATOM 921 NZ LYS A2114 -18.976 4.644 1.463 1.00 1.72 N ATOM 0 H LYS A2114 -14.587 6.157 -1.623 1.00 0.40 H new ATOM 0 HA LYS A2114 -16.562 4.778 -3.095 1.00 0.46 H new ATOM 0 HB2 LYS A2114 -16.547 7.529 -1.789 1.00 0.55 H new ATOM 0 HB3 LYS A2114 -17.986 6.710 -2.361 1.00 0.55 H new ATOM 0 HG2 LYS A2114 -17.596 4.860 -0.779 1.00 0.58 H new ATOM 0 HG3 LYS A2114 -16.107 5.610 -0.240 1.00 0.58 H new ATOM 0 HD2 LYS A2114 -17.343 7.541 0.634 1.00 0.69 H new ATOM 0 HD3 LYS A2114 -18.847 6.910 -0.007 1.00 0.69 H new ATOM 0 HE2 LYS A2114 -17.122 5.477 2.054 1.00 0.83 H new ATOM 0 HE3 LYS A2114 -18.517 6.461 2.448 1.00 0.83 H new ATOM 0 HZ1 LYS A2114 -19.295 4.276 2.382 1.00 1.72 H new ATOM 0 HZ2 LYS A2114 -19.801 4.933 0.900 1.00 1.72 H new ATOM 0 HZ3 LYS A2114 -18.453 3.902 0.956 1.00 1.72 H new ATOM 935 N ASN A2115 -15.257 7.382 -4.577 1.00 0.52 N ATOM 936 CA ASN A2115 -15.154 8.055 -5.872 1.00 0.60 C ATOM 937 C ASN A2115 -14.496 7.142 -6.900 1.00 0.54 C ATOM 938 O ASN A2115 -14.545 7.403 -8.102 1.00 0.70 O ATOM 939 CB ASN A2115 -14.343 9.349 -5.758 1.00 0.72 C ATOM 940 CG ASN A2115 -14.985 10.376 -4.849 1.00 0.99 C ATOM 941 OD1 ASN A2115 -15.788 11.202 -5.286 1.00 1.84 O ATOM 942 ND2 ASN A2115 -14.633 10.334 -3.578 1.00 1.11 N ATOM 0 H ASN A2115 -14.560 7.675 -3.893 1.00 0.52 H new ATOM 0 HA ASN A2115 -16.166 8.298 -6.196 1.00 0.60 H new ATOM 0 HB2 ASN A2115 -13.347 9.114 -5.384 1.00 0.72 H new ATOM 0 HB3 ASN A2115 -14.217 9.780 -6.751 1.00 0.72 H new ATOM 0 HD21 ASN A2115 -15.029 11.002 -2.917 1.00 1.11 H new ATOM 0 HD22 ASN A2115 -13.965 9.634 -3.257 1.00 1.11 H new ATOM 949 N GLY A2116 -13.868 6.078 -6.419 1.00 0.38 N ATOM 950 CA GLY A2116 -13.203 5.143 -7.304 1.00 0.39 C ATOM 951 C GLY A2116 -11.746 5.490 -7.517 1.00 0.38 C ATOM 952 O GLY A2116 -11.093 4.941 -8.403 1.00 0.44 O ATOM 0 H GLY A2116 -13.807 5.845 -5.428 1.00 0.38 H new ATOM 0 HA2 GLY A2116 -13.278 4.138 -6.889 1.00 0.39 H new ATOM 0 HA3 GLY A2116 -13.715 5.130 -8.266 1.00 0.39 H new ATOM 956 N THR A2117 -11.234 6.397 -6.700 1.00 0.36 N ATOM 957 CA THR A2117 -9.849 6.817 -6.797 1.00 0.38 C ATOM 958 C THR A2117 -8.956 5.869 -6.000 1.00 0.33 C ATOM 959 O THR A2117 -9.154 5.682 -4.798 1.00 0.33 O ATOM 960 CB THR A2117 -9.675 8.252 -6.272 1.00 0.44 C ATOM 961 OG1 THR A2117 -10.615 9.119 -6.919 1.00 0.57 O ATOM 962 CG2 THR A2117 -8.261 8.759 -6.518 1.00 0.54 C ATOM 0 H THR A2117 -11.762 6.858 -5.959 1.00 0.36 H new ATOM 0 HA THR A2117 -9.559 6.791 -7.847 1.00 0.38 H new ATOM 0 HB THR A2117 -9.855 8.246 -5.197 1.00 0.44 H new ATOM 0 HG1 THR A2117 -10.503 10.032 -6.582 1.00 0.57 H new ATOM 0 HG21 THR A2117 -8.168 9.776 -6.137 1.00 0.54 H new ATOM 0 HG22 THR A2117 -7.548 8.112 -6.006 1.00 0.54 H new ATOM 0 HG23 THR A2117 -8.053 8.752 -7.588 1.00 0.54 H new ATOM 970 N PRO A2118 -7.980 5.232 -6.659 1.00 0.38 N ATOM 971 CA PRO A2118 -7.073 4.304 -5.998 1.00 0.40 C ATOM 972 C PRO A2118 -6.030 5.013 -5.139 1.00 0.35 C ATOM 973 O PRO A2118 -5.111 5.647 -5.658 1.00 0.39 O ATOM 974 CB PRO A2118 -6.385 3.562 -7.157 1.00 0.53 C ATOM 975 CG PRO A2118 -7.072 4.013 -8.405 1.00 0.61 C ATOM 976 CD PRO A2118 -7.687 5.344 -8.092 1.00 0.51 C ATOM 0 HA PRO A2118 -7.611 3.647 -5.315 1.00 0.40 H new ATOM 0 HB2 PRO A2118 -5.321 3.796 -7.192 1.00 0.53 H new ATOM 0 HB3 PRO A2118 -6.470 2.482 -7.034 1.00 0.53 H new ATOM 0 HG2 PRO A2118 -6.364 4.097 -9.230 1.00 0.61 H new ATOM 0 HG3 PRO A2118 -7.834 3.295 -8.710 1.00 0.61 H new ATOM 0 HD2 PRO A2118 -7.003 6.166 -8.303 1.00 0.51 H new ATOM 0 HD3 PRO A2118 -8.589 5.522 -8.678 1.00 0.51 H new ATOM 984 N VAL A2119 -6.182 4.916 -3.825 1.00 0.33 N ATOM 985 CA VAL A2119 -5.131 5.347 -2.919 1.00 0.33 C ATOM 986 C VAL A2119 -4.032 4.305 -2.958 1.00 0.36 C ATOM 987 O VAL A2119 -4.229 3.153 -2.568 1.00 0.39 O ATOM 988 CB VAL A2119 -5.632 5.576 -1.471 1.00 0.39 C ATOM 989 CG1 VAL A2119 -6.519 6.807 -1.406 1.00 0.52 C ATOM 990 CG2 VAL A2119 -6.384 4.371 -0.940 1.00 0.60 C ATOM 0 H VAL A2119 -7.015 4.546 -3.368 1.00 0.33 H new ATOM 0 HA VAL A2119 -4.759 6.317 -3.250 1.00 0.33 H new ATOM 0 HB VAL A2119 -4.754 5.729 -0.843 1.00 0.39 H new ATOM 0 HG11 VAL A2119 -6.863 6.954 -0.382 1.00 0.52 H new ATOM 0 HG12 VAL A2119 -5.953 7.681 -1.728 1.00 0.52 H new ATOM 0 HG13 VAL A2119 -7.379 6.671 -2.061 1.00 0.52 H new ATOM 0 HG21 VAL A2119 -6.719 4.571 0.078 1.00 0.60 H new ATOM 0 HG22 VAL A2119 -7.248 4.173 -1.574 1.00 0.60 H new ATOM 0 HG23 VAL A2119 -5.726 3.502 -0.941 1.00 0.60 H new ATOM 1000 N THR A2120 -2.897 4.694 -3.501 1.00 0.39 N ATOM 1001 CA THR A2120 -1.854 3.743 -3.800 1.00 0.44 C ATOM 1002 C THR A2120 -0.520 4.151 -3.207 1.00 0.53 C ATOM 1003 O THR A2120 -0.294 5.315 -2.873 1.00 0.67 O ATOM 1004 CB THR A2120 -1.686 3.557 -5.326 1.00 0.52 C ATOM 1005 OG1 THR A2120 -1.521 4.823 -5.977 1.00 0.61 O ATOM 1006 CG2 THR A2120 -2.880 2.836 -5.929 1.00 0.55 C ATOM 0 H THR A2120 -2.676 5.660 -3.743 1.00 0.39 H new ATOM 0 HA THR A2120 -2.164 2.801 -3.347 1.00 0.44 H new ATOM 0 HB THR A2120 -0.793 2.951 -5.481 1.00 0.52 H new ATOM 0 HG1 THR A2120 -1.415 4.684 -6.941 1.00 0.61 H new ATOM 0 HG21 THR A2120 -2.731 2.721 -7.003 1.00 0.55 H new ATOM 0 HG22 THR A2120 -2.982 1.853 -5.469 1.00 0.55 H new ATOM 0 HG23 THR A2120 -3.785 3.416 -5.748 1.00 0.55 H new ATOM 1014 N ALA A2121 0.347 3.169 -3.066 1.00 0.53 N ATOM 1015 CA ALA A2121 1.733 3.403 -2.728 1.00 0.65 C ATOM 1016 C ALA A2121 2.588 2.662 -3.738 1.00 0.73 C ATOM 1017 O ALA A2121 2.382 1.468 -3.959 1.00 0.69 O ATOM 1018 CB ALA A2121 2.031 2.929 -1.313 1.00 0.70 C ATOM 0 H ALA A2121 0.108 2.184 -3.183 1.00 0.53 H new ATOM 0 HA ALA A2121 1.954 4.470 -2.761 1.00 0.65 H new ATOM 0 HB1 ALA A2121 3.079 3.115 -1.080 1.00 0.70 H new ATOM 0 HB2 ALA A2121 1.401 3.471 -0.608 1.00 0.70 H new ATOM 0 HB3 ALA A2121 1.826 1.861 -1.236 1.00 0.70 H new ATOM 1024 N THR A2122 3.527 3.355 -4.357 1.00 0.98 N ATOM 1025 CA THR A2122 4.328 2.757 -5.410 1.00 1.15 C ATOM 1026 C THR A2122 5.790 2.676 -5.008 1.00 0.99 C ATOM 1027 O THR A2122 6.531 3.657 -5.092 1.00 1.22 O ATOM 1028 CB THR A2122 4.189 3.539 -6.732 1.00 1.63 C ATOM 1029 OG1 THR A2122 4.290 4.948 -6.490 1.00 2.19 O ATOM 1030 CG2 THR A2122 2.863 3.231 -7.405 1.00 2.08 C ATOM 0 H THR A2122 3.753 4.328 -4.150 1.00 0.98 H new ATOM 0 HA THR A2122 3.953 1.745 -5.565 1.00 1.15 H new ATOM 0 HB THR A2122 4.998 3.229 -7.394 1.00 1.63 H new ATOM 0 HG1 THR A2122 5.070 5.128 -5.925 1.00 2.19 H new ATOM 0 HG21 THR A2122 2.788 3.794 -8.335 1.00 2.08 H new ATOM 0 HG22 THR A2122 2.804 2.164 -7.621 1.00 2.08 H new ATOM 0 HG23 THR A2122 2.045 3.513 -6.743 1.00 2.08 H new ATOM 1038 N TYR A2123 6.198 1.500 -4.568 1.00 0.85 N ATOM 1039 CA TYR A2123 7.568 1.277 -4.152 1.00 0.77 C ATOM 1040 C TYR A2123 8.423 0.815 -5.315 1.00 0.94 C ATOM 1041 O TYR A2123 7.924 0.202 -6.260 1.00 1.20 O ATOM 1042 CB TYR A2123 7.619 0.267 -3.013 1.00 0.83 C ATOM 1043 CG TYR A2123 7.682 0.926 -1.661 1.00 1.21 C ATOM 1044 CD1 TYR A2123 8.882 1.007 -0.969 1.00 1.93 C ATOM 1045 CD2 TYR A2123 6.550 1.482 -1.084 1.00 1.82 C ATOM 1046 CE1 TYR A2123 8.952 1.622 0.262 1.00 2.36 C ATOM 1047 CE2 TYR A2123 6.612 2.099 0.147 1.00 2.26 C ATOM 1048 CZ TYR A2123 7.813 2.167 0.819 1.00 2.25 C ATOM 1049 OH TYR A2123 7.873 2.779 2.048 1.00 2.81 O ATOM 0 H TYR A2123 5.595 0.681 -4.490 1.00 0.85 H new ATOM 0 HA TYR A2123 7.973 2.224 -3.795 1.00 0.77 H new ATOM 0 HB2 TYR A2123 6.739 -0.374 -3.060 1.00 0.83 H new ATOM 0 HB3 TYR A2123 8.489 -0.377 -3.141 1.00 0.83 H new ATOM 0 HD1 TYR A2123 9.775 0.581 -1.402 1.00 1.93 H new ATOM 0 HD2 TYR A2123 5.606 1.431 -1.607 1.00 1.82 H new ATOM 0 HE1 TYR A2123 9.893 1.677 0.788 1.00 2.36 H new ATOM 0 HE2 TYR A2123 5.722 2.528 0.583 1.00 2.26 H new ATOM 0 HH TYR A2123 7.596 3.715 1.961 1.00 2.81 H new ATOM 1059 N SER A2124 9.707 1.120 -5.246 1.00 1.07 N ATOM 1060 CA SER A2124 10.629 0.778 -6.311 1.00 1.29 C ATOM 1061 C SER A2124 12.023 0.496 -5.745 1.00 1.24 C ATOM 1062 O SER A2124 12.265 0.767 -4.567 1.00 1.31 O ATOM 1063 CB SER A2124 10.665 1.920 -7.333 1.00 1.66 C ATOM 1064 OG SER A2124 10.928 3.162 -6.701 1.00 2.06 O ATOM 0 H SER A2124 10.135 1.607 -4.458 1.00 1.07 H new ATOM 0 HA SER A2124 10.289 -0.130 -6.810 1.00 1.29 H new ATOM 0 HB2 SER A2124 11.432 1.719 -8.081 1.00 1.66 H new ATOM 0 HB3 SER A2124 9.712 1.971 -7.860 1.00 1.66 H new ATOM 0 HG SER A2124 10.948 3.874 -7.374 1.00 2.06 H new ATOM 1070 N PRO A2125 12.949 -0.073 -6.547 1.00 1.46 N ATOM 1071 CA PRO A2125 14.316 -0.372 -6.091 1.00 1.71 C ATOM 1072 C PRO A2125 15.004 0.829 -5.438 1.00 1.73 C ATOM 1073 O PRO A2125 15.697 0.685 -4.427 1.00 2.16 O ATOM 1074 CB PRO A2125 15.039 -0.768 -7.379 1.00 2.09 C ATOM 1075 CG PRO A2125 13.966 -1.311 -8.254 1.00 2.09 C ATOM 1076 CD PRO A2125 12.739 -0.496 -7.949 1.00 1.75 C ATOM 0 HA PRO A2125 14.323 -1.145 -5.322 1.00 1.71 H new ATOM 0 HB2 PRO A2125 15.530 0.090 -7.839 1.00 2.09 H new ATOM 0 HB3 PRO A2125 15.811 -1.513 -7.188 1.00 2.09 H new ATOM 0 HG2 PRO A2125 14.239 -1.228 -9.306 1.00 2.09 H new ATOM 0 HG3 PRO A2125 13.794 -2.368 -8.052 1.00 2.09 H new ATOM 0 HD2 PRO A2125 12.649 0.360 -8.618 1.00 1.75 H new ATOM 0 HD3 PRO A2125 11.828 -1.084 -8.059 1.00 1.75 H new