USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=21 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: A2115 ASN : amide:sc= 1.43 X(o=2.4,f=2) USER MOD Set 1.2: A2117 THR OG1 : rot 180:sc= 0.978 USER MOD Set 2.1: A2093 THR OG1 : rot -87:sc= 0.0305 USER MOD Set 2.2: A2095 THR OG1 : rot 180:sc= 0.0304 USER MOD Set 3.1: A2081 GLN : amide:sc= -0.848 K(o=-0.033,f=-9!) USER MOD Set 3.2: A2084 TYR OH : rot 131:sc= 0.814 USER MOD Set 4.1: A2077 THR OG1 : rot 180:sc= 0.448 USER MOD Set 4.2: A2083 THR OG1 : rot -105:sc= 0.386 USER MOD Single : A2064 THR OG1 : rot -0:sc= 1.17 USER MOD Single : A2068 THR OG1 : rot -142:sc= 0.0277 USER MOD Single : A2073 SER OG : rot 180:sc= 0 USER MOD Single : A2074 LYS NZ :NH3+ 160:sc= -0.0515 (180deg=-0.411) USER MOD Single : A2076 LYS NZ :NH3+ 158:sc= 1.34 (180deg=1.06) 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+ -172:sc= -0.0122 (180deg=-0.112) USER MOD Single : A2099 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A2103 LYS NZ :NH3+ 167:sc= -0.0411 (180deg=-0.332) USER MOD Single : A2108 THR OG1 : rot 180:sc=-0.000511 USER MOD Single : A2110 LYS NZ :NH3+ -168:sc= -0.0317 (180deg=-0.209) USER MOD Single : A2114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2120 THR OG1 : rot 180:sc= 0 USER MOD Single : A2122 THR OG1 : rot 180:sc= 0 USER MOD Single : A2123 TYR OH : rot -91:sc= 1.25 USER MOD Single : A2124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N ASP A2056 -6.373 8.403 1.611 1.00 1.08 N ATOM 33 CA ASP A2056 -7.701 8.970 1.388 1.00 1.00 C ATOM 34 C ASP A2056 -8.075 9.935 2.512 1.00 1.03 C ATOM 35 O ASP A2056 -8.628 9.539 3.534 1.00 1.04 O ATOM 36 CB ASP A2056 -8.737 7.840 1.293 1.00 1.12 C ATOM 37 CG ASP A2056 -8.591 6.802 2.402 1.00 1.80 C ATOM 38 OD1 ASP A2056 -9.499 6.682 3.253 1.00 2.41 O ATOM 39 OD2 ASP A2056 -7.552 6.099 2.436 1.00 2.42 O ATOM 0 HA ASP A2056 -7.689 9.528 0.452 1.00 1.00 H new ATOM 0 HB2 ASP A2056 -9.738 8.268 1.334 1.00 1.12 H new ATOM 0 HB3 ASP A2056 -8.640 7.346 0.326 1.00 1.12 H new ATOM 44 N PRO A2057 -7.851 11.238 2.302 1.00 1.20 N ATOM 45 CA PRO A2057 -7.966 12.235 3.368 1.00 1.36 C ATOM 46 C PRO A2057 -9.405 12.441 3.825 1.00 1.24 C ATOM 47 O PRO A2057 -9.708 12.351 5.014 1.00 1.34 O ATOM 48 CB PRO A2057 -7.414 13.507 2.725 1.00 1.72 C ATOM 49 CG PRO A2057 -7.650 13.322 1.268 1.00 1.71 C ATOM 50 CD PRO A2057 -7.486 11.851 1.010 1.00 1.41 C ATOM 0 HA PRO A2057 -7.431 11.931 4.268 1.00 1.36 H new ATOM 0 HB2 PRO A2057 -7.924 14.394 3.100 1.00 1.72 H new ATOM 0 HB3 PRO A2057 -6.353 13.633 2.942 1.00 1.72 H new ATOM 0 HG2 PRO A2057 -8.648 13.659 0.988 1.00 1.71 H new ATOM 0 HG3 PRO A2057 -6.940 13.904 0.680 1.00 1.71 H new ATOM 0 HD2 PRO A2057 -8.136 11.509 0.204 1.00 1.41 H new ATOM 0 HD3 PRO A2057 -6.464 11.604 0.722 1.00 1.41 H new ATOM 58 N LEU A2058 -10.287 12.717 2.882 1.00 1.18 N ATOM 59 CA LEU A2058 -11.684 12.952 3.197 1.00 1.17 C ATOM 60 C LEU A2058 -12.556 11.957 2.459 1.00 1.00 C ATOM 61 O LEU A2058 -13.754 12.182 2.289 1.00 1.06 O ATOM 62 CB LEU A2058 -12.116 14.383 2.836 1.00 1.35 C ATOM 63 CG LEU A2058 -11.641 15.508 3.768 1.00 1.71 C ATOM 64 CD1 LEU A2058 -12.039 15.228 5.207 1.00 2.34 C ATOM 65 CD2 LEU A2058 -10.140 15.718 3.655 1.00 2.10 C ATOM 0 H LEU A2058 -10.060 12.784 1.890 1.00 1.18 H new ATOM 0 HA LEU A2058 -11.806 12.824 4.273 1.00 1.17 H new ATOM 0 HB2 LEU A2058 -11.758 14.602 1.830 1.00 1.35 H new ATOM 0 HB3 LEU A2058 -13.205 14.410 2.800 1.00 1.35 H new ATOM 0 HG LEU A2058 -12.133 16.428 3.453 1.00 1.71 H new ATOM 0 HD11 LEU A2058 -11.690 16.040 5.845 1.00 2.34 H new ATOM 0 HD12 LEU A2058 -13.124 15.152 5.276 1.00 2.34 H new ATOM 0 HD13 LEU A2058 -11.588 14.291 5.533 1.00 2.34 H new ATOM 0 HD21 LEU A2058 -9.833 16.520 4.326 1.00 2.10 H new ATOM 0 HD22 LEU A2058 -9.622 14.798 3.928 1.00 2.10 H new ATOM 0 HD23 LEU A2058 -9.886 15.986 2.629 1.00 2.10 H new ATOM 77 N VAL A2059 -11.966 10.855 2.014 1.00 0.86 N ATOM 78 CA VAL A2059 -12.728 9.859 1.289 1.00 0.74 C ATOM 79 C VAL A2059 -12.447 8.482 1.850 1.00 0.66 C ATOM 80 O VAL A2059 -11.699 7.710 1.258 1.00 0.62 O ATOM 81 CB VAL A2059 -12.407 9.849 -0.217 1.00 0.75 C ATOM 82 CG1 VAL A2059 -13.678 10.043 -1.031 1.00 0.80 C ATOM 83 CG2 VAL A2059 -11.363 10.890 -0.584 1.00 0.87 C ATOM 0 H VAL A2059 -10.978 10.634 2.142 1.00 0.86 H new ATOM 0 HA VAL A2059 -13.779 10.120 1.411 1.00 0.74 H new ATOM 0 HB VAL A2059 -11.983 8.874 -0.457 1.00 0.75 H new ATOM 0 HG11 VAL A2059 -13.435 10.034 -2.093 1.00 0.80 H new ATOM 0 HG12 VAL A2059 -14.377 9.236 -0.812 1.00 0.80 H new ATOM 0 HG13 VAL A2059 -14.134 10.999 -0.772 1.00 0.80 H new ATOM 0 HG21 VAL A2059 -11.168 10.847 -1.655 1.00 0.87 H new ATOM 0 HG22 VAL A2059 -11.730 11.882 -0.321 1.00 0.87 H new ATOM 0 HG23 VAL A2059 -10.441 10.689 -0.039 1.00 0.87 H new ATOM 93 N PRO A2060 -13.052 8.161 2.996 1.00 0.71 N ATOM 94 CA PRO A2060 -12.860 6.872 3.649 1.00 0.72 C ATOM 95 C PRO A2060 -13.148 5.707 2.707 1.00 0.59 C ATOM 96 O PRO A2060 -14.248 5.592 2.156 1.00 0.58 O ATOM 97 CB PRO A2060 -13.859 6.903 4.807 1.00 0.87 C ATOM 98 CG PRO A2060 -14.077 8.351 5.081 1.00 1.04 C ATOM 99 CD PRO A2060 -13.951 9.044 3.754 1.00 0.86 C ATOM 0 HA PRO A2060 -11.831 6.723 3.975 1.00 0.72 H new ATOM 0 HB2 PRO A2060 -14.791 6.406 4.539 1.00 0.87 H new ATOM 0 HB3 PRO A2060 -13.465 6.389 5.684 1.00 0.87 H new ATOM 0 HG2 PRO A2060 -15.060 8.522 5.519 1.00 1.04 H new ATOM 0 HG3 PRO A2060 -13.341 8.729 5.791 1.00 1.04 H new ATOM 0 HD2 PRO A2060 -14.918 9.151 3.263 1.00 0.86 H new ATOM 0 HD3 PRO A2060 -13.535 10.046 3.861 1.00 0.86 H new ATOM 107 N ILE A2061 -12.134 4.869 2.511 1.00 0.62 N ATOM 108 CA ILE A2061 -12.212 3.720 1.613 1.00 0.56 C ATOM 109 C ILE A2061 -13.456 2.874 1.879 1.00 0.51 C ATOM 110 O ILE A2061 -13.723 2.483 3.017 1.00 0.57 O ATOM 111 CB ILE A2061 -10.955 2.836 1.754 1.00 0.69 C ATOM 112 CG1 ILE A2061 -9.696 3.625 1.374 1.00 0.77 C ATOM 113 CG2 ILE A2061 -11.073 1.566 0.921 1.00 0.75 C ATOM 114 CD1 ILE A2061 -9.669 4.122 -0.058 1.00 0.76 C ATOM 0 H ILE A2061 -11.230 4.968 2.973 1.00 0.62 H new ATOM 0 HA ILE A2061 -12.274 4.112 0.598 1.00 0.56 H new ATOM 0 HB ILE A2061 -10.871 2.537 2.799 1.00 0.69 H new ATOM 0 HG12 ILE A2061 -9.604 4.481 2.043 1.00 0.77 H new ATOM 0 HG13 ILE A2061 -8.823 2.994 1.542 1.00 0.77 H new ATOM 0 HG21 ILE A2061 -10.171 0.966 1.043 1.00 0.75 H new ATOM 0 HG22 ILE A2061 -11.938 0.992 1.253 1.00 0.75 H new ATOM 0 HG23 ILE A2061 -11.194 1.830 -0.130 1.00 0.75 H new ATOM 0 HD11 ILE A2061 -8.743 4.668 -0.236 1.00 0.76 H new ATOM 0 HD12 ILE A2061 -9.726 3.273 -0.739 1.00 0.76 H new ATOM 0 HD13 ILE A2061 -10.519 4.783 -0.230 1.00 0.76 H new ATOM 126 N ASP A2062 -14.207 2.602 0.817 1.00 0.45 N ATOM 127 CA ASP A2062 -15.430 1.814 0.913 1.00 0.43 C ATOM 128 C ASP A2062 -15.100 0.376 1.295 1.00 0.43 C ATOM 129 O ASP A2062 -14.168 -0.222 0.761 1.00 0.43 O ATOM 130 CB ASP A2062 -16.191 1.854 -0.416 1.00 0.44 C ATOM 131 CG ASP A2062 -17.542 1.165 -0.348 1.00 0.71 C ATOM 132 OD1 ASP A2062 -18.574 1.869 -0.356 1.00 1.42 O ATOM 133 OD2 ASP A2062 -17.588 -0.079 -0.299 1.00 1.40 O ATOM 0 H ASP A2062 -13.987 2.919 -0.127 1.00 0.45 H new ATOM 0 HA ASP A2062 -16.065 2.242 1.689 1.00 0.43 H new ATOM 0 HB2 ASP A2062 -16.334 2.892 -0.715 1.00 0.44 H new ATOM 0 HB3 ASP A2062 -15.586 1.380 -1.189 1.00 0.44 H new ATOM 138 N GLU A2063 -15.875 -0.178 2.205 1.00 0.47 N ATOM 139 CA GLU A2063 -15.556 -1.469 2.791 1.00 0.52 C ATOM 140 C GLU A2063 -16.136 -2.635 1.992 1.00 0.51 C ATOM 141 O GLU A2063 -15.972 -3.794 2.373 1.00 0.58 O ATOM 142 CB GLU A2063 -16.062 -1.507 4.231 1.00 0.64 C ATOM 143 CG GLU A2063 -15.423 -0.443 5.108 1.00 0.72 C ATOM 144 CD GLU A2063 -16.030 -0.378 6.492 1.00 0.87 C ATOM 145 OE1 GLU A2063 -15.877 -1.344 7.267 1.00 1.55 O ATOM 146 OE2 GLU A2063 -16.657 0.653 6.819 1.00 1.30 O ATOM 0 H GLU A2063 -16.734 0.245 2.557 1.00 0.47 H new ATOM 0 HA GLU A2063 -14.472 -1.586 2.771 1.00 0.52 H new ATOM 0 HB2 GLU A2063 -17.144 -1.373 4.235 1.00 0.64 H new ATOM 0 HB3 GLU A2063 -15.861 -2.490 4.656 1.00 0.64 H new ATOM 0 HG2 GLU A2063 -14.355 -0.644 5.194 1.00 0.72 H new ATOM 0 HG3 GLU A2063 -15.527 0.529 4.625 1.00 0.72 H new ATOM 153 N THR A2064 -16.813 -2.340 0.889 1.00 0.49 N ATOM 154 CA THR A2064 -17.388 -3.390 0.061 1.00 0.54 C ATOM 155 C THR A2064 -16.832 -3.361 -1.365 1.00 0.50 C ATOM 156 O THR A2064 -17.197 -4.193 -2.202 1.00 0.59 O ATOM 157 CB THR A2064 -18.925 -3.292 0.024 1.00 0.60 C ATOM 158 OG1 THR A2064 -19.334 -2.005 -0.463 1.00 0.58 O ATOM 159 CG2 THR A2064 -19.502 -3.513 1.413 1.00 0.69 C ATOM 0 H THR A2064 -16.976 -1.392 0.550 1.00 0.49 H new ATOM 0 HA THR A2064 -17.105 -4.339 0.517 1.00 0.54 H new ATOM 0 HB THR A2064 -19.299 -4.064 -0.648 1.00 0.60 H new ATOM 0 HG1 THR A2064 -18.542 -1.465 -0.665 1.00 0.58 H new ATOM 0 HG21 THR A2064 -20.589 -3.441 1.371 1.00 0.69 H new ATOM 0 HG22 THR A2064 -19.218 -4.502 1.772 1.00 0.69 H new ATOM 0 HG23 THR A2064 -19.114 -2.755 2.093 1.00 0.69 H new ATOM 167 N VAL A2065 -15.943 -2.412 -1.637 1.00 0.44 N ATOM 168 CA VAL A2065 -15.305 -2.320 -2.948 1.00 0.43 C ATOM 169 C VAL A2065 -14.074 -3.213 -2.996 1.00 0.37 C ATOM 170 O VAL A2065 -13.833 -3.991 -2.071 1.00 0.46 O ATOM 171 CB VAL A2065 -14.905 -0.872 -3.301 1.00 0.48 C ATOM 172 CG1 VAL A2065 -16.138 0.005 -3.431 1.00 0.82 C ATOM 173 CG2 VAL A2065 -13.941 -0.310 -2.270 1.00 0.57 C ATOM 0 H VAL A2065 -15.648 -1.698 -0.971 1.00 0.44 H new ATOM 0 HA VAL A2065 -16.036 -2.654 -3.685 1.00 0.43 H new ATOM 0 HB VAL A2065 -14.394 -0.883 -4.264 1.00 0.48 H new ATOM 0 HG11 VAL A2065 -15.836 1.022 -3.680 1.00 0.82 H new ATOM 0 HG12 VAL A2065 -16.781 -0.386 -4.219 1.00 0.82 H new ATOM 0 HG13 VAL A2065 -16.683 0.009 -2.487 1.00 0.82 H new ATOM 0 HG21 VAL A2065 -13.674 0.711 -2.541 1.00 0.57 H new ATOM 0 HG22 VAL A2065 -14.415 -0.313 -1.289 1.00 0.57 H new ATOM 0 HG23 VAL A2065 -13.041 -0.925 -2.240 1.00 0.57 H new ATOM 183 N GLU A2066 -13.314 -3.122 -4.081 1.00 0.34 N ATOM 184 CA GLU A2066 -12.118 -3.934 -4.243 1.00 0.32 C ATOM 185 C GLU A2066 -10.864 -3.178 -3.806 1.00 0.26 C ATOM 186 O GLU A2066 -10.414 -2.245 -4.484 1.00 0.28 O ATOM 187 CB GLU A2066 -11.962 -4.382 -5.699 1.00 0.40 C ATOM 188 CG GLU A2066 -10.747 -5.271 -5.930 1.00 0.43 C ATOM 189 CD GLU A2066 -10.613 -5.732 -7.366 1.00 0.61 C ATOM 190 OE1 GLU A2066 -9.660 -5.297 -8.052 1.00 0.68 O ATOM 191 OE2 GLU A2066 -11.452 -6.543 -7.812 1.00 0.78 O ATOM 0 H GLU A2066 -13.506 -2.493 -4.861 1.00 0.34 H new ATOM 0 HA GLU A2066 -12.234 -4.810 -3.605 1.00 0.32 H new ATOM 0 HB2 GLU A2066 -12.860 -4.919 -6.004 1.00 0.40 H new ATOM 0 HB3 GLU A2066 -11.885 -3.501 -6.336 1.00 0.40 H new ATOM 0 HG2 GLU A2066 -9.847 -4.727 -5.644 1.00 0.43 H new ATOM 0 HG3 GLU A2066 -10.813 -6.143 -5.279 1.00 0.43 H new ATOM 198 N PRO A2067 -10.311 -3.529 -2.638 1.00 0.27 N ATOM 199 CA PRO A2067 -8.996 -3.101 -2.235 1.00 0.30 C ATOM 200 C PRO A2067 -7.968 -4.207 -2.469 1.00 0.28 C ATOM 201 O PRO A2067 -7.929 -5.202 -1.745 1.00 0.34 O ATOM 202 CB PRO A2067 -9.192 -2.832 -0.740 1.00 0.41 C ATOM 203 CG PRO A2067 -10.404 -3.632 -0.330 1.00 0.45 C ATOM 204 CD PRO A2067 -10.935 -4.309 -1.571 1.00 0.37 C ATOM 0 HA PRO A2067 -8.621 -2.240 -2.788 1.00 0.30 H new ATOM 0 HB2 PRO A2067 -8.313 -3.135 -0.170 1.00 0.41 H new ATOM 0 HB3 PRO A2067 -9.344 -1.769 -0.551 1.00 0.41 H new ATOM 0 HG2 PRO A2067 -10.139 -4.370 0.427 1.00 0.45 H new ATOM 0 HG3 PRO A2067 -11.162 -2.983 0.108 1.00 0.45 H new ATOM 0 HD2 PRO A2067 -10.650 -5.360 -1.615 1.00 0.37 H new ATOM 0 HD3 PRO A2067 -12.023 -4.271 -1.622 1.00 0.37 H new ATOM 212 N THR A2068 -7.135 -4.027 -3.479 1.00 0.29 N ATOM 213 CA THR A2068 -6.166 -5.040 -3.859 1.00 0.32 C ATOM 214 C THR A2068 -4.850 -4.397 -4.257 1.00 0.39 C ATOM 215 O THR A2068 -4.817 -3.289 -4.785 1.00 0.70 O ATOM 216 CB THR A2068 -6.676 -5.892 -5.039 1.00 0.34 C ATOM 217 OG1 THR A2068 -7.188 -5.042 -6.073 1.00 0.38 O ATOM 218 CG2 THR A2068 -7.753 -6.870 -4.590 1.00 0.36 C ATOM 0 H THR A2068 -7.110 -3.184 -4.053 1.00 0.29 H new ATOM 0 HA THR A2068 -6.018 -5.684 -2.992 1.00 0.32 H new ATOM 0 HB THR A2068 -5.836 -6.468 -5.427 1.00 0.34 H new ATOM 0 HG1 THR A2068 -7.978 -5.458 -6.477 1.00 0.38 H new ATOM 0 HG21 THR A2068 -8.092 -7.456 -5.445 1.00 0.36 H new ATOM 0 HG22 THR A2068 -7.345 -7.538 -3.831 1.00 0.36 H new ATOM 0 HG23 THR A2068 -8.595 -6.318 -4.172 1.00 0.36 H new ATOM 226 N PHE A2069 -3.763 -5.090 -4.004 1.00 0.25 N ATOM 227 CA PHE A2069 -2.463 -4.592 -4.394 1.00 0.26 C ATOM 228 C PHE A2069 -2.319 -4.753 -5.892 1.00 0.27 C ATOM 229 O PHE A2069 -2.907 -5.675 -6.454 1.00 0.31 O ATOM 230 CB PHE A2069 -1.343 -5.337 -3.663 1.00 0.31 C ATOM 231 CG PHE A2069 -1.355 -5.159 -2.166 1.00 0.28 C ATOM 232 CD1 PHE A2069 -2.529 -4.854 -1.487 1.00 1.14 C ATOM 233 CD2 PHE A2069 -0.192 -5.310 -1.437 1.00 1.12 C ATOM 234 CE1 PHE A2069 -2.539 -4.705 -0.120 1.00 1.16 C ATOM 235 CE2 PHE A2069 -0.197 -5.160 -0.067 1.00 1.15 C ATOM 236 CZ PHE A2069 -1.373 -4.858 0.591 1.00 0.42 C ATOM 0 H PHE A2069 -3.752 -5.995 -3.533 1.00 0.25 H new ATOM 0 HA PHE A2069 -2.382 -3.540 -4.122 1.00 0.26 H new ATOM 0 HB2 PHE A2069 -1.420 -6.400 -3.892 1.00 0.31 H new ATOM 0 HB3 PHE A2069 -0.383 -4.996 -4.050 1.00 0.31 H new ATOM 0 HD1 PHE A2069 -3.448 -4.732 -2.042 1.00 1.14 H new ATOM 0 HD2 PHE A2069 0.731 -5.548 -1.945 1.00 1.12 H new ATOM 0 HE1 PHE A2069 -3.460 -4.469 0.393 1.00 1.16 H new ATOM 0 HE2 PHE A2069 0.719 -5.279 0.492 1.00 1.15 H new ATOM 0 HZ PHE A2069 -1.376 -4.742 1.665 1.00 0.42 H new ATOM 246 N GLU A2070 -1.569 -3.871 -6.533 1.00 0.30 N ATOM 247 CA GLU A2070 -1.482 -3.846 -7.991 1.00 0.36 C ATOM 248 C GLU A2070 -1.162 -5.242 -8.532 1.00 0.36 C ATOM 249 O GLU A2070 -1.775 -5.704 -9.495 1.00 0.44 O ATOM 250 CB GLU A2070 -0.414 -2.830 -8.415 1.00 0.52 C ATOM 251 CG GLU A2070 -0.398 -2.483 -9.899 1.00 0.66 C ATOM 252 CD GLU A2070 0.182 -3.580 -10.763 1.00 1.36 C ATOM 253 OE1 GLU A2070 1.351 -3.960 -10.540 1.00 2.09 O ATOM 254 OE2 GLU A2070 -0.521 -4.058 -11.679 1.00 2.01 O ATOM 0 H GLU A2070 -1.008 -3.158 -6.067 1.00 0.30 H new ATOM 0 HA GLU A2070 -2.442 -3.543 -8.409 1.00 0.36 H new ATOM 0 HB2 GLU A2070 -0.563 -1.912 -7.846 1.00 0.52 H new ATOM 0 HB3 GLU A2070 0.565 -3.221 -8.140 1.00 0.52 H new ATOM 0 HG2 GLU A2070 -1.416 -2.272 -10.227 1.00 0.66 H new ATOM 0 HG3 GLU A2070 0.180 -1.571 -10.046 1.00 0.66 H new ATOM 261 N ASP A2071 -0.242 -5.925 -7.855 1.00 0.40 N ATOM 262 CA ASP A2071 0.209 -7.257 -8.260 1.00 0.53 C ATOM 263 C ASP A2071 -0.851 -8.337 -8.014 1.00 0.50 C ATOM 264 O ASP A2071 -0.614 -9.514 -8.293 1.00 0.62 O ATOM 265 CB ASP A2071 1.483 -7.639 -7.499 1.00 0.69 C ATOM 266 CG ASP A2071 2.662 -6.744 -7.815 1.00 1.42 C ATOM 267 OD1 ASP A2071 2.897 -5.775 -7.062 1.00 2.06 O ATOM 268 OD2 ASP A2071 3.373 -7.015 -8.805 1.00 2.15 O ATOM 0 H ASP A2071 0.212 -5.573 -7.012 1.00 0.40 H new ATOM 0 HA ASP A2071 0.402 -7.207 -9.332 1.00 0.53 H new ATOM 0 HB2 ASP A2071 1.283 -7.600 -6.428 1.00 0.69 H new ATOM 0 HB3 ASP A2071 1.745 -8.670 -7.737 1.00 0.69 H new ATOM 273 N GLY A2072 -2.014 -7.948 -7.498 1.00 0.43 N ATOM 274 CA GLY A2072 -3.038 -8.921 -7.171 1.00 0.48 C ATOM 275 C GLY A2072 -2.807 -9.554 -5.813 1.00 0.48 C ATOM 276 O GLY A2072 -3.172 -10.706 -5.583 1.00 0.63 O ATOM 0 H GLY A2072 -2.264 -6.979 -7.302 1.00 0.43 H new ATOM 0 HA2 GLY A2072 -4.015 -8.438 -7.184 1.00 0.48 H new ATOM 0 HA3 GLY A2072 -3.057 -9.698 -7.935 1.00 0.48 H new ATOM 280 N SER A2073 -2.195 -8.802 -4.912 1.00 0.37 N ATOM 281 CA SER A2073 -1.853 -9.316 -3.593 1.00 0.38 C ATOM 282 C SER A2073 -2.772 -8.730 -2.520 1.00 0.35 C ATOM 283 O SER A2073 -3.408 -7.695 -2.729 1.00 0.38 O ATOM 284 CB SER A2073 -0.394 -8.980 -3.280 1.00 0.46 C ATOM 285 OG SER A2073 0.458 -9.401 -4.333 1.00 0.89 O ATOM 0 H SER A2073 -1.924 -7.831 -5.069 1.00 0.37 H new ATOM 0 HA SER A2073 -1.987 -10.398 -3.594 1.00 0.38 H new ATOM 0 HB2 SER A2073 -0.288 -7.906 -3.128 1.00 0.46 H new ATOM 0 HB3 SER A2073 -0.096 -9.464 -2.350 1.00 0.46 H new ATOM 0 HG SER A2073 1.386 -9.175 -4.113 1.00 0.89 H new ATOM 291 N LYS A2074 -2.854 -9.417 -1.384 1.00 0.35 N ATOM 292 CA LYS A2074 -3.637 -8.949 -0.246 1.00 0.34 C ATOM 293 C LYS A2074 -2.720 -8.518 0.898 1.00 0.34 C ATOM 294 O LYS A2074 -3.136 -7.804 1.811 1.00 0.42 O ATOM 295 CB LYS A2074 -4.598 -10.041 0.235 1.00 0.39 C ATOM 296 CG LYS A2074 -5.725 -10.352 -0.742 1.00 0.53 C ATOM 297 CD LYS A2074 -6.566 -9.119 -1.036 1.00 0.43 C ATOM 298 CE LYS A2074 -7.857 -9.473 -1.758 1.00 0.55 C ATOM 299 NZ LYS A2074 -8.753 -10.310 -0.916 1.00 1.13 N ATOM 0 H LYS A2074 -2.383 -10.308 -1.227 1.00 0.35 H new ATOM 0 HA LYS A2074 -4.221 -8.088 -0.570 1.00 0.34 H new ATOM 0 HB2 LYS A2074 -4.031 -10.953 0.421 1.00 0.39 H new ATOM 0 HB3 LYS A2074 -5.031 -9.735 1.187 1.00 0.39 H new ATOM 0 HG2 LYS A2074 -5.306 -10.738 -1.671 1.00 0.53 H new ATOM 0 HG3 LYS A2074 -6.360 -11.136 -0.329 1.00 0.53 H new ATOM 0 HD2 LYS A2074 -6.800 -8.608 -0.102 1.00 0.43 H new ATOM 0 HD3 LYS A2074 -5.989 -8.422 -1.644 1.00 0.43 H new ATOM 0 HE2 LYS A2074 -8.377 -8.558 -2.042 1.00 0.55 H new ATOM 0 HE3 LYS A2074 -7.623 -10.006 -2.680 1.00 0.55 H new ATOM 0 HZ1 LYS A2074 -9.726 -10.251 -1.279 1.00 1.13 H new ATOM 0 HZ2 LYS A2074 -8.432 -11.299 -0.945 1.00 1.13 H new ATOM 0 HZ3 LYS A2074 -8.728 -9.966 0.065 1.00 1.13 H new ATOM 313 N GLU A2075 -1.479 -8.976 0.854 1.00 0.33 N ATOM 314 CA GLU A2075 -0.456 -8.532 1.790 1.00 0.32 C ATOM 315 C GLU A2075 0.901 -8.558 1.119 1.00 0.34 C ATOM 316 O GLU A2075 1.234 -9.494 0.392 1.00 0.47 O ATOM 317 CB GLU A2075 -0.432 -9.395 3.064 1.00 0.36 C ATOM 318 CG GLU A2075 0.940 -9.504 3.715 1.00 0.91 C ATOM 319 CD GLU A2075 0.971 -10.497 4.856 1.00 1.40 C ATOM 320 OE1 GLU A2075 0.992 -10.069 6.029 1.00 2.08 O ATOM 321 OE2 GLU A2075 0.982 -11.715 4.586 1.00 1.88 O ATOM 0 H GLU A2075 -1.153 -9.662 0.173 1.00 0.33 H new ATOM 0 HA GLU A2075 -0.698 -7.512 2.088 1.00 0.32 H new ATOM 0 HB2 GLU A2075 -1.133 -8.977 3.786 1.00 0.36 H new ATOM 0 HB3 GLU A2075 -0.786 -10.396 2.819 1.00 0.36 H new ATOM 0 HG2 GLU A2075 1.671 -9.799 2.963 1.00 0.91 H new ATOM 0 HG3 GLU A2075 1.241 -8.524 4.085 1.00 0.91 H new ATOM 328 N LYS A2076 1.667 -7.515 1.349 1.00 0.35 N ATOM 329 CA LYS A2076 3.024 -7.446 0.861 1.00 0.38 C ATOM 330 C LYS A2076 3.947 -7.099 2.007 1.00 0.37 C ATOM 331 O LYS A2076 3.863 -6.005 2.567 1.00 0.37 O ATOM 332 CB LYS A2076 3.154 -6.391 -0.231 1.00 0.44 C ATOM 333 CG LYS A2076 4.574 -6.221 -0.742 1.00 0.88 C ATOM 334 CD LYS A2076 4.983 -7.352 -1.666 1.00 0.91 C ATOM 335 CE LYS A2076 6.459 -7.267 -1.994 1.00 0.88 C ATOM 336 NZ LYS A2076 6.798 -7.975 -3.255 1.00 1.48 N ATOM 0 H LYS A2076 1.368 -6.695 1.877 1.00 0.35 H new ATOM 0 HA LYS A2076 3.295 -8.415 0.440 1.00 0.38 H new ATOM 0 HB2 LYS A2076 2.506 -6.661 -1.065 1.00 0.44 H new ATOM 0 HB3 LYS A2076 2.798 -5.435 0.154 1.00 0.44 H new ATOM 0 HG2 LYS A2076 4.658 -5.272 -1.271 1.00 0.88 H new ATOM 0 HG3 LYS A2076 5.261 -6.177 0.103 1.00 0.88 H new ATOM 0 HD2 LYS A2076 4.765 -8.310 -1.195 1.00 0.91 H new ATOM 0 HD3 LYS A2076 4.398 -7.308 -2.585 1.00 0.91 H new ATOM 0 HE2 LYS A2076 6.750 -6.220 -2.078 1.00 0.88 H new ATOM 0 HE3 LYS A2076 7.036 -7.694 -1.174 1.00 0.88 H new ATOM 0 HZ1 LYS A2076 7.690 -7.599 -3.635 1.00 1.48 H new ATOM 0 HZ2 LYS A2076 6.905 -8.992 -3.064 1.00 1.48 H new ATOM 0 HZ3 LYS A2076 6.037 -7.831 -3.949 1.00 1.48 H new ATOM 350 N THR A2077 4.805 -8.028 2.371 1.00 0.45 N ATOM 351 CA THR A2077 5.780 -7.764 3.397 1.00 0.47 C ATOM 352 C THR A2077 7.185 -7.877 2.848 1.00 0.52 C ATOM 353 O THR A2077 7.565 -8.888 2.257 1.00 0.63 O ATOM 354 CB THR A2077 5.634 -8.702 4.604 1.00 0.50 C ATOM 355 OG1 THR A2077 4.298 -8.637 5.115 1.00 0.48 O ATOM 356 CG2 THR A2077 6.615 -8.308 5.697 1.00 0.55 C ATOM 0 H THR A2077 4.844 -8.966 1.972 1.00 0.45 H new ATOM 0 HA THR A2077 5.596 -6.745 3.737 1.00 0.47 H new ATOM 0 HB THR A2077 5.849 -9.721 4.282 1.00 0.50 H new ATOM 0 HG1 THR A2077 4.212 -9.239 5.884 1.00 0.48 H new ATOM 0 HG21 THR A2077 6.502 -8.980 6.547 1.00 0.55 H new ATOM 0 HG22 THR A2077 7.633 -8.376 5.314 1.00 0.55 H new ATOM 0 HG23 THR A2077 6.414 -7.285 6.014 1.00 0.55 H new ATOM 364 N ILE A2078 7.936 -6.816 3.031 1.00 0.51 N ATOM 365 CA ILE A2078 9.330 -6.782 2.666 1.00 0.60 C ATOM 366 C ILE A2078 10.133 -6.499 3.926 1.00 0.60 C ATOM 367 O ILE A2078 9.897 -5.488 4.584 1.00 0.53 O ATOM 368 CB ILE A2078 9.589 -5.692 1.610 1.00 0.67 C ATOM 369 CG1 ILE A2078 8.644 -5.880 0.422 1.00 0.75 C ATOM 370 CG2 ILE A2078 11.040 -5.723 1.151 1.00 0.80 C ATOM 371 CD1 ILE A2078 8.290 -4.589 -0.280 1.00 1.62 C ATOM 0 H ILE A2078 7.593 -5.947 3.440 1.00 0.51 H new ATOM 0 HA ILE A2078 9.627 -7.737 2.232 1.00 0.60 H new ATOM 0 HB ILE A2078 9.398 -4.717 2.059 1.00 0.67 H new ATOM 0 HG12 ILE A2078 9.106 -6.559 -0.295 1.00 0.75 H new ATOM 0 HG13 ILE A2078 7.728 -6.358 0.769 1.00 0.75 H new ATOM 0 HG21 ILE A2078 11.202 -4.945 0.405 1.00 0.80 H new ATOM 0 HG22 ILE A2078 11.695 -5.550 2.005 1.00 0.80 H new ATOM 0 HG23 ILE A2078 11.263 -6.697 0.714 1.00 0.80 H new ATOM 0 HD11 ILE A2078 7.617 -4.800 -1.111 1.00 1.62 H new ATOM 0 HD12 ILE A2078 7.799 -3.916 0.423 1.00 1.62 H new ATOM 0 HD13 ILE A2078 9.198 -4.120 -0.658 1.00 1.62 H new ATOM 383 N PRO A2079 11.049 -7.413 4.296 1.00 0.72 N ATOM 384 CA PRO A2079 11.811 -7.338 5.552 1.00 0.79 C ATOM 385 C PRO A2079 12.303 -5.934 5.891 1.00 0.74 C ATOM 386 O PRO A2079 13.206 -5.401 5.242 1.00 0.76 O ATOM 387 CB PRO A2079 12.991 -8.262 5.281 1.00 0.94 C ATOM 388 CG PRO A2079 12.437 -9.303 4.375 1.00 0.98 C ATOM 389 CD PRO A2079 11.414 -8.609 3.513 1.00 0.85 C ATOM 0 HA PRO A2079 11.198 -7.616 6.409 1.00 0.79 H new ATOM 0 HB2 PRO A2079 13.818 -7.726 4.814 1.00 0.94 H new ATOM 0 HB3 PRO A2079 13.375 -8.699 6.203 1.00 0.94 H new ATOM 0 HG2 PRO A2079 13.224 -9.747 3.765 1.00 0.98 H new ATOM 0 HG3 PRO A2079 11.981 -10.113 4.945 1.00 0.98 H new ATOM 0 HD2 PRO A2079 11.826 -8.340 2.540 1.00 0.85 H new ATOM 0 HD3 PRO A2079 10.549 -9.245 3.328 1.00 0.85 H new ATOM 397 N GLY A2080 11.689 -5.344 6.909 1.00 0.73 N ATOM 398 CA GLY A2080 12.093 -4.032 7.373 1.00 0.76 C ATOM 399 C GLY A2080 11.320 -2.906 6.715 1.00 0.70 C ATOM 400 O GLY A2080 11.081 -1.868 7.334 1.00 0.94 O ATOM 0 H GLY A2080 10.912 -5.756 7.425 1.00 0.73 H new ATOM 0 HA2 GLY A2080 11.956 -3.977 8.453 1.00 0.76 H new ATOM 0 HA3 GLY A2080 13.157 -3.896 7.179 1.00 0.76 H new ATOM 404 N GLN A2081 10.897 -3.119 5.474 1.00 0.54 N ATOM 405 CA GLN A2081 10.245 -2.069 4.698 1.00 0.53 C ATOM 406 C GLN A2081 8.820 -1.857 5.194 1.00 0.50 C ATOM 407 O GLN A2081 8.276 -0.758 5.119 1.00 0.57 O ATOM 408 CB GLN A2081 10.245 -2.425 3.209 1.00 0.57 C ATOM 409 CG GLN A2081 9.665 -1.348 2.305 1.00 0.95 C ATOM 410 CD GLN A2081 9.750 -1.718 0.837 1.00 1.09 C ATOM 411 OE1 GLN A2081 10.659 -2.434 0.418 1.00 2.02 O ATOM 412 NE2 GLN A2081 8.804 -1.239 0.042 1.00 0.87 N ATOM 0 H GLN A2081 10.993 -4.008 4.984 1.00 0.54 H new ATOM 0 HA GLN A2081 10.802 -1.142 4.830 1.00 0.53 H new ATOM 0 HB2 GLN A2081 11.269 -2.631 2.897 1.00 0.57 H new ATOM 0 HB3 GLN A2081 9.678 -3.345 3.068 1.00 0.57 H new ATOM 0 HG2 GLN A2081 8.623 -1.175 2.573 1.00 0.95 H new ATOM 0 HG3 GLN A2081 10.197 -0.412 2.472 1.00 0.95 H new ATOM 0 HE21 GLN A2081 8.066 -0.648 0.426 1.00 0.87 H new ATOM 0 HE22 GLN A2081 8.814 -1.461 -0.954 1.00 0.87 H new ATOM 421 N GLY A2082 8.219 -2.921 5.696 1.00 0.47 N ATOM 422 CA GLY A2082 6.907 -2.809 6.291 1.00 0.50 C ATOM 423 C GLY A2082 5.912 -3.771 5.686 1.00 0.40 C ATOM 424 O GLY A2082 6.284 -4.651 4.901 1.00 0.45 O ATOM 0 H GLY A2082 8.616 -3.861 5.702 1.00 0.47 H new ATOM 0 HA2 GLY A2082 6.981 -2.994 7.363 1.00 0.50 H new ATOM 0 HA3 GLY A2082 6.542 -1.789 6.168 1.00 0.50 H new ATOM 428 N THR A2083 4.650 -3.607 6.052 1.00 0.33 N ATOM 429 CA THR A2083 3.591 -4.450 5.533 1.00 0.29 C ATOM 430 C THR A2083 2.345 -3.632 5.249 1.00 0.25 C ATOM 431 O THR A2083 1.906 -2.815 6.069 1.00 0.30 O ATOM 432 CB THR A2083 3.211 -5.591 6.504 1.00 0.36 C ATOM 433 OG1 THR A2083 4.374 -6.350 6.863 1.00 0.49 O ATOM 434 CG2 THR A2083 2.170 -6.521 5.875 1.00 0.36 C ATOM 0 H THR A2083 4.336 -2.893 6.710 1.00 0.33 H new ATOM 0 HA THR A2083 3.978 -4.890 4.614 1.00 0.29 H new ATOM 0 HB THR A2083 2.784 -5.139 7.399 1.00 0.36 H new ATOM 0 HG1 THR A2083 4.364 -7.208 6.389 1.00 0.49 H new ATOM 0 HG21 THR A2083 1.920 -7.315 6.578 1.00 0.36 H new ATOM 0 HG22 THR A2083 1.272 -5.952 5.635 1.00 0.36 H new ATOM 0 HG23 THR A2083 2.577 -6.959 4.963 1.00 0.36 H new ATOM 442 N TYR A2084 1.792 -3.839 4.081 1.00 0.28 N ATOM 443 CA TYR A2084 0.492 -3.310 3.755 1.00 0.34 C ATOM 444 C TYR A2084 -0.477 -4.481 3.768 1.00 0.32 C ATOM 445 O TYR A2084 -0.187 -5.525 3.181 1.00 0.29 O ATOM 446 CB TYR A2084 0.516 -2.635 2.379 1.00 0.43 C ATOM 447 CG TYR A2084 1.865 -2.055 2.011 1.00 0.44 C ATOM 448 CD1 TYR A2084 2.773 -2.804 1.274 1.00 1.13 C ATOM 449 CD2 TYR A2084 2.237 -0.774 2.401 1.00 1.38 C ATOM 450 CE1 TYR A2084 4.011 -2.298 0.937 1.00 1.15 C ATOM 451 CE2 TYR A2084 3.475 -0.258 2.065 1.00 1.44 C ATOM 452 CZ TYR A2084 4.358 -1.026 1.333 1.00 0.62 C ATOM 453 OH TYR A2084 5.592 -0.521 0.996 1.00 0.76 O ATOM 0 H TYR A2084 2.228 -4.377 3.332 1.00 0.28 H new ATOM 0 HA TYR A2084 0.187 -2.552 4.476 1.00 0.34 H new ATOM 0 HB2 TYR A2084 0.224 -3.363 1.622 1.00 0.43 H new ATOM 0 HB3 TYR A2084 -0.229 -1.840 2.361 1.00 0.43 H new ATOM 0 HD1 TYR A2084 2.505 -3.802 0.959 1.00 1.13 H new ATOM 0 HD2 TYR A2084 1.548 -0.172 2.975 1.00 1.38 H new ATOM 0 HE1 TYR A2084 4.705 -2.897 0.365 1.00 1.15 H new ATOM 0 HE2 TYR A2084 3.749 0.740 2.373 1.00 1.44 H new ATOM 0 HH TYR A2084 5.485 0.373 0.609 1.00 0.76 H new ATOM 463 N THR A2085 -1.589 -4.346 4.467 1.00 0.39 N ATOM 464 CA THR A2085 -2.520 -5.455 4.597 1.00 0.40 C ATOM 465 C THR A2085 -3.959 -5.037 4.344 1.00 0.41 C ATOM 466 O THR A2085 -4.388 -3.948 4.736 1.00 0.49 O ATOM 467 CB THR A2085 -2.422 -6.114 5.988 1.00 0.46 C ATOM 468 OG1 THR A2085 -2.050 -5.143 6.976 1.00 0.63 O ATOM 469 CG2 THR A2085 -1.421 -7.257 5.983 1.00 0.57 C ATOM 0 H THR A2085 -1.869 -3.491 4.948 1.00 0.39 H new ATOM 0 HA THR A2085 -2.233 -6.177 3.833 1.00 0.40 H new ATOM 0 HB THR A2085 -3.403 -6.518 6.236 1.00 0.46 H new ATOM 0 HG1 THR A2085 -1.993 -5.575 7.854 1.00 0.63 H new ATOM 0 HG21 THR A2085 -1.373 -7.703 6.977 1.00 0.57 H new ATOM 0 HG22 THR A2085 -1.734 -8.012 5.261 1.00 0.57 H new ATOM 0 HG23 THR A2085 -0.437 -6.878 5.707 1.00 0.57 H new ATOM 477 N ILE A2086 -4.687 -5.909 3.664 1.00 0.39 N ATOM 478 CA ILE A2086 -6.111 -5.738 3.457 1.00 0.40 C ATOM 479 C ILE A2086 -6.841 -7.023 3.827 1.00 0.45 C ATOM 480 O ILE A2086 -6.433 -8.117 3.426 1.00 0.55 O ATOM 481 CB ILE A2086 -6.439 -5.326 1.993 1.00 0.47 C ATOM 482 CG1 ILE A2086 -7.959 -5.329 1.728 1.00 0.56 C ATOM 483 CG2 ILE A2086 -5.712 -6.220 0.999 1.00 0.57 C ATOM 484 CD1 ILE A2086 -8.524 -6.644 1.218 1.00 1.18 C ATOM 0 H ILE A2086 -4.304 -6.755 3.241 1.00 0.39 H new ATOM 0 HA ILE A2086 -6.451 -4.928 4.102 1.00 0.40 H new ATOM 0 HB ILE A2086 -6.084 -4.305 1.854 1.00 0.47 H new ATOM 0 HG12 ILE A2086 -8.473 -5.065 2.652 1.00 0.56 H new ATOM 0 HG13 ILE A2086 -8.187 -4.548 1.002 1.00 0.56 H new ATOM 0 HG21 ILE A2086 -5.959 -5.911 -0.017 1.00 0.57 H new ATOM 0 HG22 ILE A2086 -4.636 -6.136 1.153 1.00 0.57 H new ATOM 0 HG23 ILE A2086 -6.020 -7.255 1.148 1.00 0.57 H new ATOM 0 HD11 ILE A2086 -9.598 -6.543 1.063 1.00 1.18 H new ATOM 0 HD12 ILE A2086 -8.044 -6.905 0.275 1.00 1.18 H new ATOM 0 HD13 ILE A2086 -8.335 -7.429 1.950 1.00 1.18 H new ATOM 496 N VAL A2087 -7.895 -6.895 4.614 1.00 0.49 N ATOM 497 CA VAL A2087 -8.736 -8.035 4.936 1.00 0.59 C ATOM 498 C VAL A2087 -10.133 -7.823 4.361 1.00 0.58 C ATOM 499 O VAL A2087 -10.597 -6.681 4.244 1.00 0.53 O ATOM 500 CB VAL A2087 -8.813 -8.295 6.460 1.00 0.73 C ATOM 501 CG1 VAL A2087 -7.448 -8.681 7.008 1.00 0.78 C ATOM 502 CG2 VAL A2087 -9.357 -7.083 7.194 1.00 0.80 C ATOM 0 H VAL A2087 -8.188 -6.016 5.041 1.00 0.49 H new ATOM 0 HA VAL A2087 -8.284 -8.918 4.485 1.00 0.59 H new ATOM 0 HB VAL A2087 -9.499 -9.126 6.624 1.00 0.73 H new ATOM 0 HG11 VAL A2087 -7.524 -8.859 8.081 1.00 0.78 H new ATOM 0 HG12 VAL A2087 -7.100 -9.588 6.513 1.00 0.78 H new ATOM 0 HG13 VAL A2087 -6.740 -7.873 6.824 1.00 0.78 H new ATOM 0 HG21 VAL A2087 -9.400 -7.294 8.263 1.00 0.80 H new ATOM 0 HG22 VAL A2087 -8.704 -6.228 7.019 1.00 0.80 H new ATOM 0 HG23 VAL A2087 -10.358 -6.855 6.828 1.00 0.80 H new ATOM 512 N PRO A2088 -10.817 -8.927 3.995 1.00 0.66 N ATOM 513 CA PRO A2088 -12.084 -8.895 3.237 1.00 0.68 C ATOM 514 C PRO A2088 -13.208 -8.125 3.930 1.00 0.66 C ATOM 515 O PRO A2088 -14.271 -7.916 3.342 1.00 0.69 O ATOM 516 CB PRO A2088 -12.470 -10.373 3.112 1.00 0.81 C ATOM 517 CG PRO A2088 -11.203 -11.123 3.315 1.00 0.97 C ATOM 518 CD PRO A2088 -10.403 -10.314 4.290 1.00 0.78 C ATOM 0 HA PRO A2088 -11.945 -8.378 2.288 1.00 0.68 H new ATOM 0 HB2 PRO A2088 -13.216 -10.650 3.857 1.00 0.81 H new ATOM 0 HB3 PRO A2088 -12.902 -10.586 2.134 1.00 0.81 H new ATOM 0 HG2 PRO A2088 -11.398 -12.123 3.703 1.00 0.97 H new ATOM 0 HG3 PRO A2088 -10.666 -11.245 2.375 1.00 0.97 H new ATOM 0 HD2 PRO A2088 -10.625 -10.590 5.321 1.00 0.78 H new ATOM 0 HD3 PRO A2088 -9.332 -10.454 4.146 1.00 0.78 H new ATOM 526 N ASP A2089 -12.972 -7.694 5.166 1.00 0.67 N ATOM 527 CA ASP A2089 -13.952 -6.909 5.907 1.00 0.73 C ATOM 528 C ASP A2089 -14.077 -5.517 5.302 1.00 0.66 C ATOM 529 O ASP A2089 -15.010 -4.773 5.609 1.00 0.73 O ATOM 530 CB ASP A2089 -13.551 -6.793 7.379 1.00 0.85 C ATOM 531 CG ASP A2089 -13.488 -8.135 8.074 1.00 1.59 C ATOM 532 OD1 ASP A2089 -14.510 -8.564 8.653 1.00 2.29 O ATOM 533 OD2 ASP A2089 -12.417 -8.774 8.042 1.00 2.26 O ATOM 0 H ASP A2089 -12.108 -7.876 5.676 1.00 0.67 H new ATOM 0 HA ASP A2089 -14.914 -7.418 5.843 1.00 0.73 H new ATOM 0 HB2 ASP A2089 -12.578 -6.306 7.449 1.00 0.85 H new ATOM 0 HB3 ASP A2089 -14.266 -6.153 7.897 1.00 0.85 H new ATOM 538 N GLY A2090 -13.122 -5.171 4.450 1.00 0.59 N ATOM 539 CA GLY A2090 -13.148 -3.887 3.786 1.00 0.63 C ATOM 540 C GLY A2090 -12.285 -2.864 4.488 1.00 0.70 C ATOM 541 O GLY A2090 -12.429 -1.663 4.268 1.00 0.83 O ATOM 0 H GLY A2090 -12.326 -5.761 4.207 1.00 0.59 H new ATOM 0 HA2 GLY A2090 -12.806 -4.005 2.758 1.00 0.63 H new ATOM 0 HA3 GLY A2090 -14.175 -3.524 3.741 1.00 0.63 H new ATOM 545 N THR A2091 -11.386 -3.340 5.330 1.00 0.70 N ATOM 546 CA THR A2091 -10.486 -2.463 6.051 1.00 0.79 C ATOM 547 C THR A2091 -9.049 -2.727 5.617 1.00 0.60 C ATOM 548 O THR A2091 -8.621 -3.881 5.496 1.00 0.59 O ATOM 549 CB THR A2091 -10.642 -2.618 7.583 1.00 1.05 C ATOM 550 OG1 THR A2091 -9.669 -1.821 8.269 1.00 1.51 O ATOM 551 CG2 THR A2091 -10.512 -4.071 8.015 1.00 0.86 C ATOM 0 H THR A2091 -11.261 -4.332 5.531 1.00 0.70 H new ATOM 0 HA THR A2091 -10.745 -1.433 5.808 1.00 0.79 H new ATOM 0 HB THR A2091 -11.642 -2.273 7.845 1.00 1.05 H new ATOM 0 HG1 THR A2091 -9.782 -1.928 9.237 1.00 1.51 H new ATOM 0 HG21 THR A2091 -10.627 -4.141 9.097 1.00 0.86 H new ATOM 0 HG22 THR A2091 -11.285 -4.666 7.529 1.00 0.86 H new ATOM 0 HG23 THR A2091 -9.530 -4.449 7.729 1.00 0.86 H new ATOM 559 N VAL A2092 -8.319 -1.654 5.346 1.00 0.60 N ATOM 560 CA VAL A2092 -6.980 -1.754 4.786 1.00 0.54 C ATOM 561 C VAL A2092 -6.032 -0.808 5.514 1.00 0.55 C ATOM 562 O VAL A2092 -6.448 0.245 5.998 1.00 0.78 O ATOM 563 CB VAL A2092 -6.979 -1.388 3.284 1.00 0.79 C ATOM 564 CG1 VAL A2092 -5.659 -1.767 2.630 1.00 1.02 C ATOM 565 CG2 VAL A2092 -8.145 -2.032 2.554 1.00 1.18 C ATOM 0 H VAL A2092 -8.635 -0.698 5.507 1.00 0.60 H new ATOM 0 HA VAL A2092 -6.648 -2.785 4.907 1.00 0.54 H new ATOM 0 HB VAL A2092 -7.097 -0.307 3.211 1.00 0.79 H new ATOM 0 HG11 VAL A2092 -5.686 -1.498 1.574 1.00 1.02 H new ATOM 0 HG12 VAL A2092 -4.844 -1.234 3.119 1.00 1.02 H new ATOM 0 HG13 VAL A2092 -5.500 -2.841 2.727 1.00 1.02 H new ATOM 0 HG21 VAL A2092 -8.113 -1.753 1.501 1.00 1.18 H new ATOM 0 HG22 VAL A2092 -8.077 -3.116 2.645 1.00 1.18 H new ATOM 0 HG23 VAL A2092 -9.082 -1.689 2.992 1.00 1.18 H new ATOM 575 N THR A2093 -4.765 -1.176 5.589 1.00 0.47 N ATOM 576 CA THR A2093 -3.761 -0.303 6.169 1.00 0.53 C ATOM 577 C THR A2093 -2.492 -0.290 5.316 1.00 0.44 C ATOM 578 O THR A2093 -1.911 -1.337 5.015 1.00 0.41 O ATOM 579 CB THR A2093 -3.429 -0.701 7.628 1.00 0.71 C ATOM 580 OG1 THR A2093 -2.367 0.117 8.139 1.00 1.46 O ATOM 581 CG2 THR A2093 -3.041 -2.169 7.730 1.00 0.71 C ATOM 0 H THR A2093 -4.408 -2.072 5.256 1.00 0.47 H new ATOM 0 HA THR A2093 -4.179 0.704 6.187 1.00 0.53 H new ATOM 0 HB THR A2093 -4.327 -0.543 8.225 1.00 0.71 H new ATOM 0 HG1 THR A2093 -1.504 -0.284 7.905 1.00 1.46 H new ATOM 0 HG21 THR A2093 -2.814 -2.414 8.768 1.00 0.71 H new ATOM 0 HG22 THR A2093 -3.868 -2.789 7.383 1.00 0.71 H new ATOM 0 HG23 THR A2093 -2.163 -2.357 7.113 1.00 0.71 H new ATOM 589 N PHE A2094 -2.093 0.903 4.895 1.00 0.46 N ATOM 590 CA PHE A2094 -0.866 1.079 4.134 1.00 0.42 C ATOM 591 C PHE A2094 0.241 1.549 5.070 1.00 0.43 C ATOM 592 O PHE A2094 0.320 2.731 5.400 1.00 0.52 O ATOM 593 CB PHE A2094 -1.069 2.106 2.997 1.00 0.51 C ATOM 594 CG PHE A2094 -1.976 1.649 1.871 1.00 0.47 C ATOM 595 CD1 PHE A2094 -2.336 2.521 0.839 1.00 1.21 C ATOM 596 CD2 PHE A2094 -2.456 0.347 1.827 1.00 1.26 C ATOM 597 CE1 PHE A2094 -3.144 2.094 -0.194 1.00 1.23 C ATOM 598 CE2 PHE A2094 -3.268 -0.074 0.794 1.00 1.27 C ATOM 599 CZ PHE A2094 -3.608 0.798 -0.216 1.00 0.55 C ATOM 0 H PHE A2094 -2.606 1.767 5.070 1.00 0.46 H new ATOM 0 HA PHE A2094 -0.588 0.126 3.684 1.00 0.42 H new ATOM 0 HB2 PHE A2094 -1.479 3.021 3.424 1.00 0.51 H new ATOM 0 HB3 PHE A2094 -0.095 2.358 2.578 1.00 0.51 H new ATOM 0 HD1 PHE A2094 -1.978 3.540 0.851 1.00 1.21 H new ATOM 0 HD2 PHE A2094 -2.190 -0.346 2.612 1.00 1.26 H new ATOM 0 HE1 PHE A2094 -3.413 2.777 -0.986 1.00 1.23 H new ATOM 0 HE2 PHE A2094 -3.637 -1.089 0.778 1.00 1.27 H new ATOM 0 HZ PHE A2094 -4.239 0.465 -1.026 1.00 0.55 H new ATOM 609 N THR A2095 1.086 0.626 5.516 1.00 0.37 N ATOM 610 CA THR A2095 2.161 0.972 6.433 1.00 0.39 C ATOM 611 C THR A2095 3.526 0.782 5.774 1.00 0.37 C ATOM 612 O THR A2095 4.057 -0.332 5.726 1.00 0.37 O ATOM 613 CB THR A2095 2.087 0.132 7.721 1.00 0.47 C ATOM 614 OG1 THR A2095 0.743 0.133 8.225 1.00 0.58 O ATOM 615 CG2 THR A2095 3.024 0.692 8.782 1.00 0.58 C ATOM 0 H THR A2095 1.047 -0.360 5.259 1.00 0.37 H new ATOM 0 HA THR A2095 2.038 2.023 6.694 1.00 0.39 H new ATOM 0 HB THR A2095 2.391 -0.888 7.485 1.00 0.47 H new ATOM 0 HG1 THR A2095 0.700 -0.404 9.044 1.00 0.58 H new ATOM 0 HG21 THR A2095 2.957 0.084 9.684 1.00 0.58 H new ATOM 0 HG22 THR A2095 4.048 0.675 8.409 1.00 0.58 H new ATOM 0 HG23 THR A2095 2.739 1.718 9.014 1.00 0.58 H new ATOM 623 N PRO A2096 4.099 1.875 5.244 1.00 0.50 N ATOM 624 CA PRO A2096 5.395 1.854 4.576 1.00 0.61 C ATOM 625 C PRO A2096 6.560 2.087 5.537 1.00 0.69 C ATOM 626 O PRO A2096 6.368 2.326 6.733 1.00 0.81 O ATOM 627 CB PRO A2096 5.268 3.019 3.599 1.00 0.88 C ATOM 628 CG PRO A2096 4.403 4.012 4.303 1.00 0.98 C ATOM 629 CD PRO A2096 3.518 3.231 5.248 1.00 0.69 C ATOM 0 HA PRO A2096 5.612 0.891 4.114 1.00 0.61 H new ATOM 0 HB2 PRO A2096 6.243 3.443 3.359 1.00 0.88 H new ATOM 0 HB3 PRO A2096 4.819 2.700 2.658 1.00 0.88 H new ATOM 0 HG2 PRO A2096 5.010 4.734 4.850 1.00 0.98 H new ATOM 0 HG3 PRO A2096 3.803 4.576 3.589 1.00 0.98 H new ATOM 0 HD2 PRO A2096 3.522 3.664 6.248 1.00 0.69 H new ATOM 0 HD3 PRO A2096 2.482 3.222 4.909 1.00 0.69 H new ATOM 637 N ASP A2097 7.766 2.003 4.996 1.00 0.89 N ATOM 638 CA ASP A2097 8.992 2.206 5.756 1.00 1.14 C ATOM 639 C ASP A2097 9.198 3.666 6.133 1.00 1.37 C ATOM 640 O ASP A2097 9.594 4.491 5.312 1.00 1.39 O ATOM 641 CB ASP A2097 10.193 1.705 4.947 1.00 1.24 C ATOM 642 CG ASP A2097 10.234 2.282 3.546 1.00 2.06 C ATOM 643 OD1 ASP A2097 11.116 3.115 3.259 1.00 2.61 O ATOM 644 OD2 ASP A2097 9.365 1.918 2.730 1.00 2.72 O ATOM 0 H ASP A2097 7.923 1.791 4.011 1.00 0.89 H new ATOM 0 HA ASP A2097 8.903 1.637 6.681 1.00 1.14 H new ATOM 0 HB2 ASP A2097 11.113 1.966 5.470 1.00 1.24 H new ATOM 0 HB3 ASP A2097 10.158 0.617 4.887 1.00 1.24 H new ATOM 649 N LYS A2098 8.904 3.991 7.378 1.00 1.89 N ATOM 650 CA LYS A2098 9.188 5.320 7.889 1.00 2.37 C ATOM 651 C LYS A2098 10.568 5.352 8.541 1.00 2.32 C ATOM 652 O LYS A2098 11.085 6.417 8.877 1.00 2.66 O ATOM 653 CB LYS A2098 8.105 5.803 8.867 1.00 3.03 C ATOM 654 CG LYS A2098 7.978 4.995 10.157 1.00 3.48 C ATOM 655 CD LYS A2098 7.165 3.714 9.984 1.00 4.03 C ATOM 656 CE LYS A2098 5.747 3.992 9.496 1.00 4.43 C ATOM 657 NZ LYS A2098 4.997 4.887 10.419 1.00 4.81 N ATOM 0 H LYS A2098 8.471 3.358 8.051 1.00 1.89 H new ATOM 0 HA LYS A2098 9.184 6.009 7.044 1.00 2.37 H new ATOM 0 HB2 LYS A2098 8.312 6.841 9.128 1.00 3.03 H new ATOM 0 HB3 LYS A2098 7.144 5.789 8.354 1.00 3.03 H new ATOM 0 HG2 LYS A2098 8.974 4.740 10.518 1.00 3.48 H new ATOM 0 HG3 LYS A2098 7.510 5.615 10.922 1.00 3.48 H new ATOM 0 HD2 LYS A2098 7.670 3.059 9.274 1.00 4.03 H new ATOM 0 HD3 LYS A2098 7.122 3.182 10.934 1.00 4.03 H new ATOM 0 HE2 LYS A2098 5.788 4.447 8.506 1.00 4.43 H new ATOM 0 HE3 LYS A2098 5.210 3.049 9.391 1.00 4.43 H new ATOM 0 HZ1 LYS A2098 4.002 4.939 10.120 1.00 4.81 H new ATOM 0 HZ2 LYS A2098 5.049 4.510 11.387 1.00 4.81 H new ATOM 0 HZ3 LYS A2098 5.415 5.839 10.396 1.00 4.81 H new ATOM 671 N GLN A2099 11.160 4.176 8.712 1.00 2.03 N ATOM 672 CA GLN A2099 12.481 4.062 9.319 1.00 2.09 C ATOM 673 C GLN A2099 13.450 3.398 8.353 1.00 1.67 C ATOM 674 O GLN A2099 14.525 3.928 8.070 1.00 1.81 O ATOM 675 CB GLN A2099 12.421 3.250 10.615 1.00 2.41 C ATOM 676 CG GLN A2099 11.566 3.875 11.707 1.00 2.99 C ATOM 677 CD GLN A2099 11.588 3.063 12.986 1.00 3.86 C ATOM 678 OE1 GLN A2099 11.760 1.845 12.957 1.00 4.40 O ATOM 679 NE2 GLN A2099 11.412 3.727 14.117 1.00 4.42 N ATOM 0 H GLN A2099 10.745 3.285 8.438 1.00 2.03 H new ATOM 0 HA GLN A2099 12.830 5.068 9.551 1.00 2.09 H new ATOM 0 HB2 GLN A2099 12.033 2.257 10.390 1.00 2.41 H new ATOM 0 HB3 GLN A2099 13.434 3.118 10.994 1.00 2.41 H new ATOM 0 HG2 GLN A2099 11.923 4.884 11.913 1.00 2.99 H new ATOM 0 HG3 GLN A2099 10.539 3.966 11.354 1.00 2.99 H new ATOM 0 HE21 GLN A2099 11.272 4.737 14.099 1.00 4.42 H new ATOM 0 HE22 GLN A2099 11.416 3.229 15.007 1.00 4.42 H new ATOM 688 N PHE A2100 13.046 2.239 7.847 1.00 1.40 N ATOM 689 CA PHE A2100 13.869 1.451 6.940 1.00 1.20 C ATOM 690 C PHE A2100 14.221 2.235 5.685 1.00 1.31 C ATOM 691 O PHE A2100 13.431 3.046 5.201 1.00 1.72 O ATOM 692 CB PHE A2100 13.138 0.161 6.560 1.00 1.32 C ATOM 693 CG PHE A2100 13.850 -0.679 5.533 1.00 1.46 C ATOM 694 CD1 PHE A2100 13.484 -0.621 4.194 1.00 1.93 C ATOM 695 CD2 PHE A2100 14.882 -1.524 5.905 1.00 2.04 C ATOM 696 CE1 PHE A2100 14.136 -1.390 3.250 1.00 2.23 C ATOM 697 CE2 PHE A2100 15.536 -2.295 4.964 1.00 2.36 C ATOM 698 CZ PHE A2100 15.164 -2.228 3.636 1.00 2.18 C ATOM 0 H PHE A2100 12.139 1.820 8.054 1.00 1.40 H new ATOM 0 HA PHE A2100 14.798 1.206 7.456 1.00 1.20 H new ATOM 0 HB2 PHE A2100 12.989 -0.436 7.460 1.00 1.32 H new ATOM 0 HB3 PHE A2100 12.149 0.417 6.180 1.00 1.32 H new ATOM 0 HD1 PHE A2100 12.681 0.033 3.888 1.00 1.93 H new ATOM 0 HD2 PHE A2100 15.179 -1.581 6.942 1.00 2.04 H new ATOM 0 HE1 PHE A2100 13.843 -1.336 2.212 1.00 2.23 H new ATOM 0 HE2 PHE A2100 16.339 -2.951 5.267 1.00 2.36 H new ATOM 0 HZ PHE A2100 15.676 -2.830 2.900 1.00 2.18 H new ATOM 708 N VAL A2101 15.417 1.997 5.179 1.00 1.55 N ATOM 709 CA VAL A2101 15.852 2.598 3.939 1.00 1.92 C ATOM 710 C VAL A2101 17.019 1.793 3.367 1.00 2.31 C ATOM 711 O VAL A2101 17.843 1.267 4.117 1.00 2.68 O ATOM 712 CB VAL A2101 16.244 4.078 4.154 1.00 2.35 C ATOM 713 CG1 VAL A2101 17.561 4.199 4.893 1.00 2.67 C ATOM 714 CG2 VAL A2101 16.283 4.827 2.836 1.00 2.45 C ATOM 0 H VAL A2101 16.107 1.386 5.615 1.00 1.55 H new ATOM 0 HA VAL A2101 15.030 2.581 3.224 1.00 1.92 H new ATOM 0 HB VAL A2101 15.476 4.537 4.777 1.00 2.35 H new ATOM 0 HG11 VAL A2101 17.807 5.252 5.028 1.00 2.67 H new ATOM 0 HG12 VAL A2101 17.477 3.719 5.868 1.00 2.67 H new ATOM 0 HG13 VAL A2101 18.348 3.713 4.316 1.00 2.67 H new ATOM 0 HG21 VAL A2101 16.561 5.865 3.016 1.00 2.45 H new ATOM 0 HG22 VAL A2101 17.016 4.364 2.176 1.00 2.45 H new ATOM 0 HG23 VAL A2101 15.299 4.791 2.368 1.00 2.45 H new ATOM 724 N GLY A2102 17.073 1.665 2.049 1.00 2.55 N ATOM 725 CA GLY A2102 18.125 0.885 1.426 1.00 3.15 C ATOM 726 C GLY A2102 17.702 0.303 0.096 1.00 3.22 C ATOM 727 O GLY A2102 17.820 0.956 -0.940 1.00 3.84 O ATOM 0 H GLY A2102 16.409 2.086 1.400 1.00 2.55 H new ATOM 0 HA2 GLY A2102 19.003 1.515 1.281 1.00 3.15 H new ATOM 0 HA3 GLY A2102 18.419 0.077 2.096 1.00 3.15 H new ATOM 731 N LYS A2103 17.219 -0.930 0.119 1.00 2.91 N ATOM 732 CA LYS A2103 16.731 -1.576 -1.089 1.00 3.06 C ATOM 733 C LYS A2103 15.266 -1.967 -0.931 1.00 2.39 C ATOM 734 O LYS A2103 14.951 -3.067 -0.471 1.00 2.33 O ATOM 735 CB LYS A2103 17.573 -2.812 -1.423 1.00 3.80 C ATOM 736 CG LYS A2103 17.147 -3.510 -2.707 1.00 4.59 C ATOM 737 CD LYS A2103 18.068 -4.669 -3.051 1.00 5.33 C ATOM 738 CE LYS A2103 17.640 -5.364 -4.336 1.00 6.21 C ATOM 739 NZ LYS A2103 17.570 -4.420 -5.483 1.00 6.78 N ATOM 0 H LYS A2103 17.155 -1.503 0.961 1.00 2.91 H new ATOM 0 HA LYS A2103 16.818 -0.866 -1.911 1.00 3.06 H new ATOM 0 HB2 LYS A2103 18.619 -2.517 -1.509 1.00 3.80 H new ATOM 0 HB3 LYS A2103 17.509 -3.519 -0.596 1.00 3.80 H new ATOM 0 HG2 LYS A2103 16.126 -3.876 -2.600 1.00 4.59 H new ATOM 0 HG3 LYS A2103 17.144 -2.792 -3.527 1.00 4.59 H new ATOM 0 HD2 LYS A2103 19.089 -4.303 -3.157 1.00 5.33 H new ATOM 0 HD3 LYS A2103 18.071 -5.388 -2.232 1.00 5.33 H new ATOM 0 HE2 LYS A2103 18.343 -6.164 -4.567 1.00 6.21 H new ATOM 0 HE3 LYS A2103 16.665 -5.829 -4.189 1.00 6.21 H new ATOM 0 HZ1 LYS A2103 17.493 -4.957 -6.370 1.00 6.78 H new ATOM 0 HZ2 LYS A2103 16.737 -3.806 -5.377 1.00 6.78 H new ATOM 0 HZ3 LYS A2103 18.430 -3.836 -5.505 1.00 6.78 H new ATOM 753 N PRO A2104 14.351 -1.058 -1.285 1.00 2.06 N ATOM 754 CA PRO A2104 12.918 -1.331 -1.261 1.00 1.50 C ATOM 755 C PRO A2104 12.510 -2.223 -2.427 1.00 1.35 C ATOM 756 O PRO A2104 13.007 -2.064 -3.547 1.00 1.62 O ATOM 757 CB PRO A2104 12.269 0.058 -1.401 1.00 1.62 C ATOM 758 CG PRO A2104 13.390 1.045 -1.316 1.00 2.21 C ATOM 759 CD PRO A2104 14.629 0.309 -1.734 1.00 2.43 C ATOM 0 HA PRO A2104 12.614 -1.854 -0.355 1.00 1.50 H new ATOM 0 HB2 PRO A2104 11.740 0.148 -2.350 1.00 1.62 H new ATOM 0 HB3 PRO A2104 11.538 0.229 -0.611 1.00 1.62 H new ATOM 0 HG2 PRO A2104 13.206 1.899 -1.967 1.00 2.21 H new ATOM 0 HG3 PRO A2104 13.491 1.433 -0.302 1.00 2.21 H new ATOM 0 HD2 PRO A2104 14.787 0.358 -2.811 1.00 2.43 H new ATOM 0 HD3 PRO A2104 15.523 0.718 -1.262 1.00 2.43 H new ATOM 767 N ASP A2105 11.625 -3.169 -2.166 1.00 1.04 N ATOM 768 CA ASP A2105 11.141 -4.059 -3.210 1.00 0.98 C ATOM 769 C ASP A2105 9.979 -3.400 -3.944 1.00 0.79 C ATOM 770 O ASP A2105 9.063 -2.864 -3.310 1.00 0.78 O ATOM 771 CB ASP A2105 10.717 -5.409 -2.617 1.00 1.06 C ATOM 772 CG ASP A2105 10.215 -6.387 -3.663 1.00 1.66 C ATOM 773 OD1 ASP A2105 8.994 -6.605 -3.742 1.00 2.16 O ATOM 774 OD2 ASP A2105 11.046 -6.959 -4.405 1.00 2.33 O ATOM 0 H ASP A2105 11.227 -3.342 -1.243 1.00 1.04 H new ATOM 0 HA ASP A2105 11.946 -4.246 -3.920 1.00 0.98 H new ATOM 0 HB2 ASP A2105 11.564 -5.851 -2.092 1.00 1.06 H new ATOM 0 HB3 ASP A2105 9.934 -5.244 -1.877 1.00 1.06 H new ATOM 779 N PRO A2106 10.032 -3.390 -5.288 1.00 0.77 N ATOM 780 CA PRO A2106 9.010 -2.755 -6.125 1.00 0.73 C ATOM 781 C PRO A2106 7.624 -3.356 -5.928 1.00 0.61 C ATOM 782 O PRO A2106 7.407 -4.547 -6.159 1.00 0.74 O ATOM 783 CB PRO A2106 9.496 -2.999 -7.560 1.00 0.87 C ATOM 784 CG PRO A2106 10.478 -4.114 -7.458 1.00 1.03 C ATOM 785 CD PRO A2106 11.104 -3.992 -6.099 1.00 0.93 C ATOM 0 HA PRO A2106 8.899 -1.700 -5.874 1.00 0.73 H new ATOM 0 HB2 PRO A2106 8.667 -3.264 -8.216 1.00 0.87 H new ATOM 0 HB3 PRO A2106 9.959 -2.104 -7.976 1.00 0.87 H new ATOM 0 HG2 PRO A2106 9.986 -5.079 -7.575 1.00 1.03 H new ATOM 0 HG3 PRO A2106 11.232 -4.043 -8.242 1.00 1.03 H new ATOM 0 HD2 PRO A2106 11.409 -4.963 -5.707 1.00 0.93 H new ATOM 0 HD3 PRO A2106 11.994 -3.363 -6.121 1.00 0.93 H new ATOM 793 N VAL A2107 6.692 -2.522 -5.497 1.00 0.48 N ATOM 794 CA VAL A2107 5.317 -2.942 -5.302 1.00 0.37 C ATOM 795 C VAL A2107 4.387 -1.733 -5.305 1.00 0.35 C ATOM 796 O VAL A2107 4.679 -0.705 -4.686 1.00 0.60 O ATOM 797 CB VAL A2107 5.133 -3.743 -3.987 1.00 0.41 C ATOM 798 CG1 VAL A2107 5.548 -2.920 -2.775 1.00 0.54 C ATOM 799 CG2 VAL A2107 3.692 -4.221 -3.845 1.00 0.46 C ATOM 0 H VAL A2107 6.867 -1.542 -5.274 1.00 0.48 H new ATOM 0 HA VAL A2107 5.061 -3.601 -6.132 1.00 0.37 H new ATOM 0 HB VAL A2107 5.783 -4.616 -4.035 1.00 0.41 H new ATOM 0 HG11 VAL A2107 5.407 -3.510 -1.869 1.00 0.54 H new ATOM 0 HG12 VAL A2107 6.598 -2.641 -2.867 1.00 0.54 H new ATOM 0 HG13 VAL A2107 4.937 -2.019 -2.720 1.00 0.54 H new ATOM 0 HG21 VAL A2107 3.584 -4.781 -2.916 1.00 0.46 H new ATOM 0 HG22 VAL A2107 3.023 -3.361 -3.830 1.00 0.46 H new ATOM 0 HG23 VAL A2107 3.437 -4.864 -4.688 1.00 0.46 H new ATOM 809 N THR A2108 3.294 -1.842 -6.037 1.00 0.32 N ATOM 810 CA THR A2108 2.268 -0.824 -6.019 1.00 0.30 C ATOM 811 C THR A2108 1.065 -1.320 -5.224 1.00 0.30 C ATOM 812 O THR A2108 0.467 -2.344 -5.547 1.00 0.33 O ATOM 813 CB THR A2108 1.835 -0.433 -7.444 1.00 0.33 C ATOM 814 OG1 THR A2108 2.985 -0.065 -8.219 1.00 0.37 O ATOM 815 CG2 THR A2108 0.848 0.728 -7.417 1.00 0.35 C ATOM 0 H THR A2108 3.096 -2.630 -6.653 1.00 0.32 H new ATOM 0 HA THR A2108 2.681 0.065 -5.542 1.00 0.30 H new ATOM 0 HB THR A2108 1.345 -1.294 -7.898 1.00 0.33 H new ATOM 0 HG1 THR A2108 2.704 0.181 -9.125 1.00 0.37 H new ATOM 0 HG21 THR A2108 0.559 0.984 -8.436 1.00 0.35 H new ATOM 0 HG22 THR A2108 -0.037 0.440 -6.850 1.00 0.35 H new ATOM 0 HG23 THR A2108 1.316 1.592 -6.945 1.00 0.35 H new ATOM 823 N VAL A2109 0.742 -0.614 -4.162 1.00 0.38 N ATOM 824 CA VAL A2109 -0.386 -0.971 -3.320 1.00 0.46 C ATOM 825 C VAL A2109 -1.604 -0.169 -3.762 1.00 0.52 C ATOM 826 O VAL A2109 -1.466 1.006 -4.080 1.00 0.61 O ATOM 827 CB VAL A2109 -0.076 -0.685 -1.837 1.00 0.60 C ATOM 828 CG1 VAL A2109 -0.939 -1.547 -0.938 1.00 0.76 C ATOM 829 CG2 VAL A2109 1.405 -0.905 -1.539 1.00 0.61 C ATOM 0 H VAL A2109 1.248 0.218 -3.857 1.00 0.38 H new ATOM 0 HA VAL A2109 -0.585 -2.038 -3.422 1.00 0.46 H new ATOM 0 HB VAL A2109 -0.308 0.361 -1.635 1.00 0.60 H new ATOM 0 HG11 VAL A2109 -0.707 -1.332 0.105 1.00 0.76 H new ATOM 0 HG12 VAL A2109 -1.991 -1.331 -1.127 1.00 0.76 H new ATOM 0 HG13 VAL A2109 -0.742 -2.599 -1.144 1.00 0.76 H new ATOM 0 HG21 VAL A2109 1.599 -0.697 -0.487 1.00 0.61 H new ATOM 0 HG22 VAL A2109 1.671 -1.939 -1.760 1.00 0.61 H new ATOM 0 HG23 VAL A2109 2.004 -0.236 -2.158 1.00 0.61 H new ATOM 839 N LYS A2110 -2.784 -0.784 -3.807 1.00 0.53 N ATOM 840 CA LYS A2110 -3.943 -0.123 -4.392 1.00 0.63 C ATOM 841 C LYS A2110 -5.218 -0.412 -3.589 1.00 0.70 C ATOM 842 O LYS A2110 -5.350 -1.464 -2.968 1.00 0.99 O ATOM 843 CB LYS A2110 -4.075 -0.576 -5.866 1.00 0.67 C ATOM 844 CG LYS A2110 -5.186 0.102 -6.669 1.00 0.85 C ATOM 845 CD LYS A2110 -6.546 -0.563 -6.485 1.00 1.03 C ATOM 846 CE LYS A2110 -6.576 -1.982 -7.041 1.00 1.11 C ATOM 847 NZ LYS A2110 -6.272 -2.026 -8.496 1.00 1.63 N ATOM 0 H LYS A2110 -2.960 -1.724 -3.451 1.00 0.53 H new ATOM 0 HA LYS A2110 -3.803 0.958 -4.360 1.00 0.63 H new ATOM 0 HB2 LYS A2110 -3.125 -0.395 -6.369 1.00 0.67 H new ATOM 0 HB3 LYS A2110 -4.244 -1.653 -5.883 1.00 0.67 H new ATOM 0 HG2 LYS A2110 -5.256 1.148 -6.370 1.00 0.85 H new ATOM 0 HG3 LYS A2110 -4.922 0.089 -7.726 1.00 0.85 H new ATOM 0 HD2 LYS A2110 -6.797 -0.585 -5.424 1.00 1.03 H new ATOM 0 HD3 LYS A2110 -7.311 0.035 -6.981 1.00 1.03 H new ATOM 0 HE2 LYS A2110 -5.854 -2.596 -6.503 1.00 1.11 H new ATOM 0 HE3 LYS A2110 -7.559 -2.418 -6.864 1.00 1.11 H new ATOM 0 HZ1 LYS A2110 -6.501 -2.969 -8.870 1.00 1.63 H new ATOM 0 HZ2 LYS A2110 -6.841 -1.310 -8.991 1.00 1.63 H new ATOM 0 HZ3 LYS A2110 -5.262 -1.830 -8.646 1.00 1.63 H new ATOM 861 N ARG A2111 -6.125 0.563 -3.566 1.00 0.52 N ATOM 862 CA ARG A2111 -7.462 0.387 -3.005 1.00 0.54 C ATOM 863 C ARG A2111 -8.319 1.593 -3.385 1.00 0.44 C ATOM 864 O ARG A2111 -7.850 2.728 -3.315 1.00 0.47 O ATOM 865 CB ARG A2111 -7.411 0.222 -1.475 1.00 0.62 C ATOM 866 CG ARG A2111 -6.912 1.454 -0.743 1.00 0.62 C ATOM 867 CD ARG A2111 -6.867 1.254 0.763 1.00 0.87 C ATOM 868 NE ARG A2111 -6.789 2.536 1.473 1.00 1.86 N ATOM 869 CZ ARG A2111 -6.435 2.675 2.750 1.00 2.47 C ATOM 870 NH1 ARG A2111 -5.953 1.649 3.430 1.00 2.41 N ATOM 871 NH2 ARG A2111 -6.536 3.859 3.338 1.00 3.47 N ATOM 0 H ARG A2111 -5.953 1.498 -3.936 1.00 0.52 H new ATOM 0 HA ARG A2111 -7.901 -0.523 -3.414 1.00 0.54 H new ATOM 0 HB2 ARG A2111 -8.408 -0.026 -1.112 1.00 0.62 H new ATOM 0 HB3 ARG A2111 -6.765 -0.621 -1.231 1.00 0.62 H new ATOM 0 HG2 ARG A2111 -5.915 1.708 -1.103 1.00 0.62 H new ATOM 0 HG3 ARG A2111 -7.560 2.299 -0.975 1.00 0.62 H new ATOM 0 HD2 ARG A2111 -7.756 0.711 1.086 1.00 0.87 H new ATOM 0 HD3 ARG A2111 -6.006 0.639 1.024 1.00 0.87 H new ATOM 0 HE ARG A2111 -7.022 3.381 0.952 1.00 1.86 H new ATOM 0 HH11 ARG A2111 -5.849 0.741 2.977 1.00 2.41 H new ATOM 0 HH12 ARG A2111 -5.685 1.766 4.407 1.00 2.41 H new ATOM 0 HH21 ARG A2111 -6.884 4.661 2.813 1.00 3.47 H new ATOM 0 HH22 ARG A2111 -6.266 3.968 4.315 1.00 3.47 H new ATOM 885 N VAL A2112 -9.551 1.363 -3.819 1.00 0.35 N ATOM 886 CA VAL A2112 -10.410 2.472 -4.227 1.00 0.28 C ATOM 887 C VAL A2112 -11.393 2.843 -3.123 1.00 0.25 C ATOM 888 O VAL A2112 -11.783 2.003 -2.313 1.00 0.29 O ATOM 889 CB VAL A2112 -11.188 2.166 -5.526 1.00 0.31 C ATOM 890 CG1 VAL A2112 -10.232 1.828 -6.657 1.00 0.40 C ATOM 891 CG2 VAL A2112 -12.197 1.047 -5.324 1.00 0.32 C ATOM 0 H VAL A2112 -9.974 0.438 -3.898 1.00 0.35 H new ATOM 0 HA VAL A2112 -9.747 3.316 -4.419 1.00 0.28 H new ATOM 0 HB VAL A2112 -11.742 3.065 -5.797 1.00 0.31 H new ATOM 0 HG11 VAL A2112 -10.800 1.616 -7.563 1.00 0.40 H new ATOM 0 HG12 VAL A2112 -9.567 2.673 -6.836 1.00 0.40 H new ATOM 0 HG13 VAL A2112 -9.642 0.953 -6.385 1.00 0.40 H new ATOM 0 HG21 VAL A2112 -12.725 0.860 -6.259 1.00 0.32 H new ATOM 0 HG22 VAL A2112 -11.678 0.141 -5.013 1.00 0.32 H new ATOM 0 HG23 VAL A2112 -12.913 1.337 -4.555 1.00 0.32 H new ATOM 901 N ASP A2113 -11.765 4.117 -3.081 1.00 0.26 N ATOM 902 CA ASP A2113 -12.720 4.613 -2.098 1.00 0.31 C ATOM 903 C ASP A2113 -14.134 4.604 -2.667 1.00 0.33 C ATOM 904 O ASP A2113 -14.379 4.036 -3.733 1.00 0.34 O ATOM 905 CB ASP A2113 -12.358 6.035 -1.663 1.00 0.40 C ATOM 906 CG ASP A2113 -12.598 7.043 -2.761 1.00 0.55 C ATOM 907 OD1 ASP A2113 -11.728 7.198 -3.629 1.00 0.85 O ATOM 908 OD2 ASP A2113 -13.674 7.671 -2.772 1.00 1.46 O ATOM 0 H ASP A2113 -11.416 4.830 -3.722 1.00 0.26 H new ATOM 0 HA ASP A2113 -12.679 3.952 -1.232 1.00 0.31 H new ATOM 0 HB2 ASP A2113 -12.947 6.307 -0.787 1.00 0.40 H new ATOM 0 HB3 ASP A2113 -11.310 6.067 -1.365 1.00 0.40 H new ATOM 913 N LYS A2114 -15.058 5.243 -1.954 1.00 0.40 N ATOM 914 CA LYS A2114 -16.456 5.306 -2.366 1.00 0.46 C ATOM 915 C LYS A2114 -16.616 5.941 -3.747 1.00 0.52 C ATOM 916 O LYS A2114 -17.391 5.455 -4.572 1.00 0.65 O ATOM 917 CB LYS A2114 -17.269 6.095 -1.340 1.00 0.55 C ATOM 918 CG LYS A2114 -17.310 5.447 0.035 1.00 0.58 C ATOM 919 CD LYS A2114 -18.131 6.268 1.015 1.00 0.69 C ATOM 920 CE LYS A2114 -18.217 5.590 2.373 1.00 0.83 C ATOM 921 NZ LYS A2114 -19.035 6.376 3.335 1.00 1.72 N ATOM 0 H LYS A2114 -14.860 5.729 -1.079 1.00 0.40 H new ATOM 0 HA LYS A2114 -16.827 4.283 -2.424 1.00 0.46 H new ATOM 0 HB2 LYS A2114 -16.848 7.096 -1.248 1.00 0.55 H new ATOM 0 HB3 LYS A2114 -18.288 6.211 -1.708 1.00 0.55 H new ATOM 0 HG2 LYS A2114 -17.733 4.446 -0.046 1.00 0.58 H new ATOM 0 HG3 LYS A2114 -16.295 5.334 0.415 1.00 0.58 H new ATOM 0 HD2 LYS A2114 -17.684 7.256 1.128 1.00 0.69 H new ATOM 0 HD3 LYS A2114 -19.135 6.416 0.616 1.00 0.69 H new ATOM 0 HE2 LYS A2114 -18.650 4.596 2.256 1.00 0.83 H new ATOM 0 HE3 LYS A2114 -17.213 5.455 2.776 1.00 0.83 H new ATOM 0 HZ1 LYS A2114 -19.069 5.880 4.248 1.00 1.72 H new ATOM 0 HZ2 LYS A2114 -18.609 7.315 3.467 1.00 1.72 H new ATOM 0 HZ3 LYS A2114 -20.000 6.483 2.963 1.00 1.72 H new ATOM 935 N ASN A2115 -15.870 7.009 -4.007 1.00 0.52 N ATOM 936 CA ASN A2115 -15.989 7.725 -5.276 1.00 0.60 C ATOM 937 C ASN A2115 -15.198 7.008 -6.370 1.00 0.54 C ATOM 938 O ASN A2115 -15.430 7.222 -7.562 1.00 0.70 O ATOM 939 CB ASN A2115 -15.531 9.186 -5.121 1.00 0.72 C ATOM 940 CG ASN A2115 -14.157 9.466 -5.690 1.00 0.99 C ATOM 941 OD1 ASN A2115 -14.013 9.846 -6.851 1.00 1.84 O ATOM 942 ND2 ASN A2115 -13.141 9.278 -4.879 1.00 1.11 N ATOM 0 H ASN A2115 -15.181 7.397 -3.363 1.00 0.52 H new ATOM 0 HA ASN A2115 -17.038 7.736 -5.572 1.00 0.60 H new ATOM 0 HB2 ASN A2115 -16.255 9.837 -5.611 1.00 0.72 H new ATOM 0 HB3 ASN A2115 -15.534 9.446 -4.063 1.00 0.72 H new ATOM 0 HD21 ASN A2115 -12.190 9.448 -5.205 1.00 1.11 H new ATOM 0 HD22 ASN A2115 -13.303 8.962 -3.923 1.00 1.11 H new ATOM 949 N GLY A2116 -14.269 6.153 -5.959 1.00 0.38 N ATOM 950 CA GLY A2116 -13.565 5.316 -6.911 1.00 0.39 C ATOM 951 C GLY A2116 -12.136 5.752 -7.163 1.00 0.38 C ATOM 952 O GLY A2116 -11.531 5.344 -8.154 1.00 0.44 O ATOM 0 H GLY A2116 -13.991 6.025 -4.986 1.00 0.38 H new ATOM 0 HA2 GLY A2116 -13.564 4.289 -6.547 1.00 0.39 H new ATOM 0 HA3 GLY A2116 -14.109 5.319 -7.856 1.00 0.39 H new ATOM 956 N THR A2117 -11.592 6.579 -6.284 1.00 0.36 N ATOM 957 CA THR A2117 -10.197 6.975 -6.393 1.00 0.38 C ATOM 958 C THR A2117 -9.293 5.923 -5.749 1.00 0.33 C ATOM 959 O THR A2117 -9.421 5.627 -4.560 1.00 0.33 O ATOM 960 CB THR A2117 -9.944 8.343 -5.727 1.00 0.44 C ATOM 961 OG1 THR A2117 -10.782 9.341 -6.327 1.00 0.57 O ATOM 962 CG2 THR A2117 -8.485 8.759 -5.859 1.00 0.54 C ATOM 0 H THR A2117 -12.091 6.986 -5.493 1.00 0.36 H new ATOM 0 HA THR A2117 -9.964 7.059 -7.454 1.00 0.38 H new ATOM 0 HB THR A2117 -10.181 8.250 -4.667 1.00 0.44 H new ATOM 0 HG1 THR A2117 -10.618 10.207 -5.898 1.00 0.57 H new ATOM 0 HG21 THR A2117 -8.338 9.727 -5.380 1.00 0.54 H new ATOM 0 HG22 THR A2117 -7.850 8.016 -5.377 1.00 0.54 H new ATOM 0 HG23 THR A2117 -8.222 8.833 -6.914 1.00 0.54 H new ATOM 970 N PRO A2118 -8.389 5.316 -6.530 1.00 0.38 N ATOM 971 CA PRO A2118 -7.439 4.342 -6.011 1.00 0.40 C ATOM 972 C PRO A2118 -6.277 5.010 -5.281 1.00 0.35 C ATOM 973 O PRO A2118 -5.361 5.540 -5.913 1.00 0.39 O ATOM 974 CB PRO A2118 -6.929 3.610 -7.265 1.00 0.53 C ATOM 975 CG PRO A2118 -7.708 4.164 -8.416 1.00 0.61 C ATOM 976 CD PRO A2118 -8.226 5.501 -7.975 1.00 0.51 C ATOM 0 HA PRO A2118 -7.903 3.678 -5.282 1.00 0.40 H new ATOM 0 HB2 PRO A2118 -5.860 3.773 -7.404 1.00 0.53 H new ATOM 0 HB3 PRO A2118 -7.078 2.534 -7.176 1.00 0.53 H new ATOM 0 HG2 PRO A2118 -7.077 4.264 -9.299 1.00 0.61 H new ATOM 0 HG3 PRO A2118 -8.529 3.499 -8.685 1.00 0.61 H new ATOM 0 HD2 PRO A2118 -7.525 6.304 -8.205 1.00 0.51 H new ATOM 0 HD3 PRO A2118 -9.169 5.752 -8.461 1.00 0.51 H new ATOM 984 N VAL A2119 -6.321 4.995 -3.957 1.00 0.33 N ATOM 985 CA VAL A2119 -5.193 5.459 -3.165 1.00 0.33 C ATOM 986 C VAL A2119 -4.102 4.404 -3.214 1.00 0.36 C ATOM 987 O VAL A2119 -4.304 3.252 -2.823 1.00 0.39 O ATOM 988 CB VAL A2119 -5.585 5.801 -1.706 1.00 0.39 C ATOM 989 CG1 VAL A2119 -6.571 6.954 -1.680 1.00 0.52 C ATOM 990 CG2 VAL A2119 -6.174 4.606 -0.987 1.00 0.60 C ATOM 0 H VAL A2119 -7.119 4.669 -3.412 1.00 0.33 H new ATOM 0 HA VAL A2119 -4.828 6.392 -3.594 1.00 0.33 H new ATOM 0 HB VAL A2119 -4.673 6.091 -1.184 1.00 0.39 H new ATOM 0 HG11 VAL A2119 -6.837 7.182 -0.648 1.00 0.52 H new ATOM 0 HG12 VAL A2119 -6.117 7.831 -2.140 1.00 0.52 H new ATOM 0 HG13 VAL A2119 -7.469 6.678 -2.233 1.00 0.52 H new ATOM 0 HG21 VAL A2119 -6.436 4.888 0.033 1.00 0.60 H new ATOM 0 HG22 VAL A2119 -7.069 4.270 -1.512 1.00 0.60 H new ATOM 0 HG23 VAL A2119 -5.442 3.798 -0.964 1.00 0.60 H new ATOM 1000 N THR A2120 -2.967 4.786 -3.764 1.00 0.39 N ATOM 1001 CA THR A2120 -1.926 3.833 -4.067 1.00 0.44 C ATOM 1002 C THR A2120 -0.600 4.235 -3.454 1.00 0.53 C ATOM 1003 O THR A2120 -0.390 5.392 -3.083 1.00 0.67 O ATOM 1004 CB THR A2120 -1.736 3.688 -5.592 1.00 0.52 C ATOM 1005 OG1 THR A2120 -1.450 4.966 -6.177 1.00 0.61 O ATOM 1006 CG2 THR A2120 -2.972 3.094 -6.248 1.00 0.55 C ATOM 0 H THR A2120 -2.745 5.751 -4.009 1.00 0.39 H new ATOM 0 HA THR A2120 -2.243 2.882 -3.640 1.00 0.44 H new ATOM 0 HB THR A2120 -0.898 3.012 -5.761 1.00 0.52 H new ATOM 0 HG1 THR A2120 -1.329 4.863 -7.144 1.00 0.61 H new ATOM 0 HG21 THR A2120 -2.807 3.005 -7.322 1.00 0.55 H new ATOM 0 HG22 THR A2120 -3.168 2.108 -5.828 1.00 0.55 H new ATOM 0 HG23 THR A2120 -3.828 3.743 -6.066 1.00 0.55 H new ATOM 1014 N ALA A2121 0.282 3.262 -3.347 1.00 0.53 N ATOM 1015 CA ALA A2121 1.665 3.511 -3.005 1.00 0.65 C ATOM 1016 C ALA A2121 2.535 2.806 -4.029 1.00 0.73 C ATOM 1017 O ALA A2121 2.361 1.613 -4.265 1.00 0.69 O ATOM 1018 CB ALA A2121 1.973 3.015 -1.600 1.00 0.70 C ATOM 0 H ALA A2121 0.059 2.278 -3.495 1.00 0.53 H new ATOM 0 HA ALA A2121 1.866 4.582 -3.018 1.00 0.65 H new ATOM 0 HB1 ALA A2121 3.019 3.213 -1.365 1.00 0.70 H new ATOM 0 HB2 ALA A2121 1.336 3.533 -0.883 1.00 0.70 H new ATOM 0 HB3 ALA A2121 1.785 1.943 -1.543 1.00 0.70 H new ATOM 1024 N THR A2122 3.457 3.529 -4.632 1.00 0.98 N ATOM 1025 CA THR A2122 4.256 2.977 -5.711 1.00 1.15 C ATOM 1026 C THR A2122 5.721 2.920 -5.314 1.00 0.99 C ATOM 1027 O THR A2122 6.413 3.941 -5.292 1.00 1.22 O ATOM 1028 CB THR A2122 4.100 3.805 -7.001 1.00 1.63 C ATOM 1029 OG1 THR A2122 2.709 4.008 -7.291 1.00 2.19 O ATOM 1030 CG2 THR A2122 4.765 3.101 -8.176 1.00 2.08 C ATOM 0 H THR A2122 3.672 4.498 -4.395 1.00 0.98 H new ATOM 0 HA THR A2122 3.897 1.966 -5.903 1.00 1.15 H new ATOM 0 HB THR A2122 4.584 4.769 -6.848 1.00 1.63 H new ATOM 0 HG1 THR A2122 2.620 4.537 -8.111 1.00 2.19 H new ATOM 0 HG21 THR A2122 4.643 3.702 -9.077 1.00 2.08 H new ATOM 0 HG22 THR A2122 5.827 2.970 -7.968 1.00 2.08 H new ATOM 0 HG23 THR A2122 4.302 2.126 -8.325 1.00 2.08 H new ATOM 1038 N TYR A2123 6.191 1.729 -4.991 1.00 0.85 N ATOM 1039 CA TYR A2123 7.559 1.564 -4.553 1.00 0.77 C ATOM 1040 C TYR A2123 8.453 1.043 -5.662 1.00 0.94 C ATOM 1041 O TYR A2123 8.121 0.078 -6.349 1.00 1.20 O ATOM 1042 CB TYR A2123 7.624 0.664 -3.325 1.00 0.83 C ATOM 1043 CG TYR A2123 7.738 1.463 -2.057 1.00 1.21 C ATOM 1044 CD1 TYR A2123 8.882 2.202 -1.798 1.00 1.93 C ATOM 1045 CD2 TYR A2123 6.708 1.494 -1.128 1.00 1.82 C ATOM 1046 CE1 TYR A2123 9.000 2.951 -0.650 1.00 2.36 C ATOM 1047 CE2 TYR A2123 6.819 2.243 0.027 1.00 2.26 C ATOM 1048 CZ TYR A2123 7.968 2.970 0.257 1.00 2.25 C ATOM 1049 OH TYR A2123 8.093 3.708 1.408 1.00 2.81 O ATOM 0 H TYR A2123 5.646 0.867 -5.024 1.00 0.85 H new ATOM 0 HA TYR A2123 7.936 2.549 -4.279 1.00 0.77 H new ATOM 0 HB2 TYR A2123 6.731 0.040 -3.283 1.00 0.83 H new ATOM 0 HB3 TYR A2123 8.478 -0.007 -3.410 1.00 0.83 H new ATOM 0 HD1 TYR A2123 9.694 2.190 -2.510 1.00 1.93 H new ATOM 0 HD2 TYR A2123 5.808 0.925 -1.310 1.00 1.82 H new ATOM 0 HE1 TYR A2123 9.898 3.521 -0.463 1.00 2.36 H new ATOM 0 HE2 TYR A2123 6.012 2.259 0.745 1.00 2.26 H new ATOM 0 HH TYR A2123 8.474 3.148 2.116 1.00 2.81 H new ATOM 1059 N SER A2124 9.578 1.709 -5.834 1.00 1.07 N ATOM 1060 CA SER A2124 10.554 1.343 -6.841 1.00 1.29 C ATOM 1061 C SER A2124 11.943 1.301 -6.209 1.00 1.24 C ATOM 1062 O SER A2124 12.235 2.077 -5.298 1.00 1.31 O ATOM 1063 CB SER A2124 10.519 2.365 -7.980 1.00 1.66 C ATOM 1064 OG SER A2124 9.198 2.540 -8.465 1.00 2.06 O ATOM 0 H SER A2124 9.842 2.522 -5.277 1.00 1.07 H new ATOM 0 HA SER A2124 10.318 0.358 -7.243 1.00 1.29 H new ATOM 0 HB2 SER A2124 10.911 3.320 -7.629 1.00 1.66 H new ATOM 0 HB3 SER A2124 11.167 2.033 -8.791 1.00 1.66 H new ATOM 0 HG SER A2124 9.201 3.199 -9.191 1.00 2.06 H new ATOM 1070 N PRO A2125 12.818 0.400 -6.681 1.00 1.46 N ATOM 1071 CA PRO A2125 14.170 0.239 -6.130 1.00 1.71 C ATOM 1072 C PRO A2125 15.124 1.358 -6.553 1.00 1.73 C ATOM 1073 O PRO A2125 16.343 1.201 -6.503 1.00 2.16 O ATOM 1074 CB PRO A2125 14.622 -1.097 -6.716 1.00 2.09 C ATOM 1075 CG PRO A2125 13.888 -1.206 -8.007 1.00 2.09 C ATOM 1076 CD PRO A2125 12.557 -0.544 -7.784 1.00 1.75 C ATOM 0 HA PRO A2125 14.171 0.275 -5.041 1.00 1.71 H new ATOM 0 HB2 PRO A2125 15.701 -1.118 -6.870 1.00 2.09 H new ATOM 0 HB3 PRO A2125 14.379 -1.925 -6.050 1.00 2.09 H new ATOM 0 HG2 PRO A2125 14.438 -0.716 -8.811 1.00 2.09 H new ATOM 0 HG3 PRO A2125 13.761 -2.249 -8.297 1.00 2.09 H new ATOM 0 HD2 PRO A2125 12.211 -0.028 -8.680 1.00 1.75 H new ATOM 0 HD3 PRO A2125 11.788 -1.269 -7.517 1.00 1.75 H new