USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 580 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A2093 THR OG1 : rot -91:sc= 0.0146 USER MOD Set 1.2: A2095 THR OG1 : rot 180:sc= 0.0127 USER MOD Set 2.1: A2081 GLN : amide:sc= 1.66 K(o=4.1,f=-5.2!) USER MOD Set 2.2: A2084 TYR OH : rot -33:sc= 2.44 USER MOD Set 3.1: A2077 THR OG1 : rot -105:sc= -0.403 USER MOD Set 3.2: A2083 THR OG1 : rot 180:sc= 0.422 USER MOD Single : A2053 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2064 THR OG1 : rot 8:sc= 1.12 USER MOD Single : A2068 THR OG1 : rot 180:sc= 0 USER MOD Single : A2073 SER OG : rot 180:sc= 0 USER MOD Single : A2074 LYS NZ :NH3+ 139:sc= -0.0495 (180deg=-0.345) USER MOD Single : A2076 LYS NZ :NH3+ 159:sc= 1.2 (180deg=1.13) 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+ -114:sc= -0.728 (180deg=-2.63!) USER MOD Single : A2099 GLN :FLIP amide:sc= -0.0591 F(o=-0.94,f=-0.059) USER MOD Single : A2103 LYS NZ :NH3+ 166:sc= -0.0375 (180deg=-0.248) USER MOD Single : A2108 THR OG1 : rot 180:sc= 0 USER MOD Single : A2110 LYS NZ :NH3+ -169:sc= -0.0077 (180deg=-0.151) USER MOD Single : A2114 LYS NZ :NH3+ -162:sc= 1.19 (180deg=0.649) USER MOD Single : A2115 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A2117 THR OG1 : rot 180:sc= -0.0118 USER MOD Single : A2120 THR OG1 : rot 180:sc= 0 USER MOD Single : A2122 THR OG1 : rot 49:sc= 0.25 USER MOD Single : A2123 TYR OH : rot 41:sc= 0.927 USER MOD Single : A2124 SER OG : rot 180:sc= -0.0706 USER MOD Single : A2128 THR OG1 : rot 120:sc= 0.265 USER MOD Single : A2129 LYS NZ :NH3+ -170:sc= 1.33 (180deg=1.18) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A2053 -7.549 6.777 7.668 1.00 4.90 N ATOM 2 CA GLN A2053 -7.253 5.340 7.854 1.00 4.58 C ATOM 3 C GLN A2053 -7.553 4.564 6.580 1.00 3.90 C ATOM 4 O GLN A2053 -8.714 4.335 6.239 1.00 4.20 O ATOM 5 CB GLN A2053 -8.076 4.780 9.015 1.00 5.04 C ATOM 6 CG GLN A2053 -7.828 3.307 9.292 1.00 5.47 C ATOM 7 CD GLN A2053 -8.589 2.808 10.504 1.00 6.21 C ATOM 8 OE1 GLN A2053 -9.725 2.342 10.395 1.00 6.51 O ATOM 9 NE2 GLN A2053 -7.972 2.907 11.668 1.00 6.85 N ATOM 0 HA GLN A2053 -6.193 5.232 8.085 1.00 4.58 H new ATOM 0 HB2 GLN A2053 -7.851 5.352 9.915 1.00 5.04 H new ATOM 0 HB3 GLN A2053 -9.135 4.926 8.801 1.00 5.04 H new ATOM 0 HG2 GLN A2053 -8.118 2.723 8.419 1.00 5.47 H new ATOM 0 HG3 GLN A2053 -6.761 3.144 9.444 1.00 5.47 H new ATOM 0 HE21 GLN A2053 -7.031 3.299 11.715 1.00 6.85 H new ATOM 0 HE22 GLN A2053 -8.436 2.592 12.520 1.00 6.85 H new ATOM 18 N GLY A2054 -6.505 4.170 5.872 1.00 3.41 N ATOM 19 CA GLY A2054 -6.682 3.398 4.661 1.00 3.09 C ATOM 20 C GLY A2054 -6.535 4.240 3.413 1.00 2.21 C ATOM 21 O GLY A2054 -6.404 3.707 2.312 1.00 2.29 O ATOM 0 H GLY A2054 -5.535 4.371 6.115 1.00 3.41 H new ATOM 0 HA2 GLY A2054 -5.951 2.590 4.639 1.00 3.09 H new ATOM 0 HA3 GLY A2054 -7.669 2.935 4.669 1.00 3.09 H new ATOM 25 N GLY A2055 -6.563 5.556 3.579 1.00 1.77 N ATOM 26 CA GLY A2055 -6.427 6.439 2.444 1.00 1.45 C ATOM 27 C GLY A2055 -6.956 7.835 2.709 1.00 1.28 C ATOM 28 O GLY A2055 -6.357 8.597 3.470 1.00 1.66 O ATOM 0 H GLY A2055 -6.677 6.024 4.478 1.00 1.77 H new ATOM 0 HA2 GLY A2055 -5.375 6.503 2.165 1.00 1.45 H new ATOM 0 HA3 GLY A2055 -6.957 6.011 1.593 1.00 1.45 H new ATOM 32 N ASP A2056 -8.092 8.164 2.104 1.00 1.08 N ATOM 33 CA ASP A2056 -8.603 9.533 2.123 1.00 1.00 C ATOM 34 C ASP A2056 -9.391 9.823 3.392 1.00 1.03 C ATOM 35 O ASP A2056 -10.322 9.094 3.734 1.00 1.04 O ATOM 36 CB ASP A2056 -9.509 9.788 0.923 1.00 1.12 C ATOM 37 CG ASP A2056 -9.452 11.231 0.472 1.00 1.80 C ATOM 38 OD1 ASP A2056 -8.789 11.510 -0.551 1.00 2.41 O ATOM 39 OD2 ASP A2056 -10.052 12.098 1.141 1.00 2.42 O ATOM 0 H ASP A2056 -8.678 7.503 1.594 1.00 1.08 H new ATOM 0 HA ASP A2056 -7.736 10.192 2.084 1.00 1.00 H new ATOM 0 HB2 ASP A2056 -9.213 9.138 0.100 1.00 1.12 H new ATOM 0 HB3 ASP A2056 -10.536 9.528 1.181 1.00 1.12 H new ATOM 44 N PRO A2057 -9.037 10.902 4.103 1.00 1.20 N ATOM 45 CA PRO A2057 -9.751 11.314 5.308 1.00 1.36 C ATOM 46 C PRO A2057 -11.080 11.999 4.994 1.00 1.24 C ATOM 47 O PRO A2057 -11.980 12.038 5.833 1.00 1.34 O ATOM 48 CB PRO A2057 -8.788 12.298 5.967 1.00 1.72 C ATOM 49 CG PRO A2057 -8.007 12.876 4.837 1.00 1.71 C ATOM 50 CD PRO A2057 -7.903 11.793 3.797 1.00 1.41 C ATOM 0 HA PRO A2057 -10.013 10.463 5.937 1.00 1.36 H new ATOM 0 HB2 PRO A2057 -9.326 13.072 6.514 1.00 1.72 H new ATOM 0 HB3 PRO A2057 -8.137 11.796 6.683 1.00 1.72 H new ATOM 0 HG2 PRO A2057 -8.504 13.758 4.432 1.00 1.71 H new ATOM 0 HG3 PRO A2057 -7.018 13.192 5.169 1.00 1.71 H new ATOM 0 HD2 PRO A2057 -7.974 12.199 2.788 1.00 1.41 H new ATOM 0 HD3 PRO A2057 -6.951 11.266 3.862 1.00 1.41 H new ATOM 58 N LEU A2058 -11.202 12.537 3.784 1.00 1.18 N ATOM 59 CA LEU A2058 -12.420 13.229 3.375 1.00 1.17 C ATOM 60 C LEU A2058 -13.274 12.334 2.488 1.00 1.00 C ATOM 61 O LEU A2058 -14.422 12.658 2.184 1.00 1.06 O ATOM 62 CB LEU A2058 -12.102 14.541 2.646 1.00 1.35 C ATOM 63 CG LEU A2058 -11.729 15.732 3.538 1.00 1.71 C ATOM 64 CD1 LEU A2058 -10.373 15.528 4.198 1.00 2.34 C ATOM 65 CD2 LEU A2058 -11.737 17.022 2.730 1.00 2.10 C ATOM 0 H LEU A2058 -10.474 12.507 3.071 1.00 1.18 H new ATOM 0 HA LEU A2058 -12.979 13.470 4.279 1.00 1.17 H new ATOM 0 HB2 LEU A2058 -11.280 14.359 1.954 1.00 1.35 H new ATOM 0 HB3 LEU A2058 -12.968 14.819 2.046 1.00 1.35 H new ATOM 0 HG LEU A2058 -12.477 15.805 4.328 1.00 1.71 H new ATOM 0 HD11 LEU A2058 -10.139 16.390 4.823 1.00 2.34 H new ATOM 0 HD12 LEU A2058 -10.400 14.629 4.814 1.00 2.34 H new ATOM 0 HD13 LEU A2058 -9.607 15.418 3.430 1.00 2.34 H new ATOM 0 HD21 LEU A2058 -11.470 17.858 3.377 1.00 2.10 H new ATOM 0 HD22 LEU A2058 -11.014 16.947 1.917 1.00 2.10 H new ATOM 0 HD23 LEU A2058 -12.732 17.186 2.316 1.00 2.10 H new ATOM 77 N VAL A2059 -12.710 11.205 2.081 1.00 0.86 N ATOM 78 CA VAL A2059 -13.440 10.217 1.310 1.00 0.74 C ATOM 79 C VAL A2059 -13.290 8.881 2.000 1.00 0.66 C ATOM 80 O VAL A2059 -12.381 8.114 1.679 1.00 0.62 O ATOM 81 CB VAL A2059 -12.939 10.069 -0.147 1.00 0.75 C ATOM 82 CG1 VAL A2059 -13.876 9.172 -0.940 1.00 0.80 C ATOM 83 CG2 VAL A2059 -12.792 11.416 -0.828 1.00 0.87 C ATOM 0 H VAL A2059 -11.741 10.953 2.276 1.00 0.86 H new ATOM 0 HA VAL A2059 -14.476 10.551 1.258 1.00 0.74 H new ATOM 0 HB VAL A2059 -11.952 9.608 -0.113 1.00 0.75 H new ATOM 0 HG11 VAL A2059 -13.511 9.078 -1.963 1.00 0.80 H new ATOM 0 HG12 VAL A2059 -13.915 8.186 -0.476 1.00 0.80 H new ATOM 0 HG13 VAL A2059 -14.875 9.608 -0.951 1.00 0.80 H new ATOM 0 HG21 VAL A2059 -12.438 11.271 -1.849 1.00 0.87 H new ATOM 0 HG22 VAL A2059 -13.758 11.922 -0.847 1.00 0.87 H new ATOM 0 HG23 VAL A2059 -12.074 12.025 -0.279 1.00 0.87 H new ATOM 93 N PRO A2060 -14.144 8.619 2.999 1.00 0.71 N ATOM 94 CA PRO A2060 -14.131 7.367 3.744 1.00 0.72 C ATOM 95 C PRO A2060 -13.895 6.162 2.842 1.00 0.59 C ATOM 96 O PRO A2060 -14.681 5.886 1.928 1.00 0.58 O ATOM 97 CB PRO A2060 -15.535 7.337 4.328 1.00 0.87 C ATOM 98 CG PRO A2060 -15.848 8.764 4.599 1.00 1.04 C ATOM 99 CD PRO A2060 -15.188 9.541 3.492 1.00 0.86 C ATOM 0 HA PRO A2060 -13.332 7.317 4.484 1.00 0.72 H new ATOM 0 HB2 PRO A2060 -16.248 6.899 3.629 1.00 0.87 H new ATOM 0 HB3 PRO A2060 -15.574 6.741 5.240 1.00 0.87 H new ATOM 0 HG2 PRO A2060 -16.925 8.934 4.609 1.00 1.04 H new ATOM 0 HG3 PRO A2060 -15.468 9.070 5.573 1.00 1.04 H new ATOM 0 HD2 PRO A2060 -15.897 9.801 2.706 1.00 0.86 H new ATOM 0 HD3 PRO A2060 -14.759 10.474 3.857 1.00 0.86 H new ATOM 107 N ILE A2061 -12.792 5.474 3.095 1.00 0.62 N ATOM 108 CA ILE A2061 -12.425 4.284 2.350 1.00 0.56 C ATOM 109 C ILE A2061 -13.556 3.258 2.370 1.00 0.51 C ATOM 110 O ILE A2061 -13.922 2.735 3.423 1.00 0.57 O ATOM 111 CB ILE A2061 -11.122 3.678 2.916 1.00 0.69 C ATOM 112 CG1 ILE A2061 -9.948 4.629 2.665 1.00 0.77 C ATOM 113 CG2 ILE A2061 -10.841 2.321 2.313 1.00 0.75 C ATOM 114 CD1 ILE A2061 -9.641 4.850 1.195 1.00 0.76 C ATOM 0 H ILE A2061 -12.126 5.728 3.825 1.00 0.62 H new ATOM 0 HA ILE A2061 -12.251 4.568 1.312 1.00 0.56 H new ATOM 0 HB ILE A2061 -11.248 3.545 3.990 1.00 0.69 H new ATOM 0 HG12 ILE A2061 -10.166 5.591 3.129 1.00 0.77 H new ATOM 0 HG13 ILE A2061 -9.060 4.232 3.156 1.00 0.77 H new ATOM 0 HG21 ILE A2061 -9.917 1.921 2.732 1.00 0.75 H new ATOM 0 HG22 ILE A2061 -11.665 1.644 2.540 1.00 0.75 H new ATOM 0 HG23 ILE A2061 -10.738 2.417 1.232 1.00 0.75 H new ATOM 0 HD11 ILE A2061 -8.798 5.534 1.098 1.00 0.76 H new ATOM 0 HD12 ILE A2061 -9.390 3.897 0.728 1.00 0.76 H new ATOM 0 HD13 ILE A2061 -10.514 5.277 0.701 1.00 0.76 H new ATOM 126 N ASP A2062 -14.112 2.999 1.194 1.00 0.45 N ATOM 127 CA ASP A2062 -15.287 2.149 1.063 1.00 0.43 C ATOM 128 C ASP A2062 -14.938 0.684 1.288 1.00 0.43 C ATOM 129 O ASP A2062 -14.068 0.126 0.620 1.00 0.43 O ATOM 130 CB ASP A2062 -15.917 2.324 -0.315 1.00 0.44 C ATOM 131 CG ASP A2062 -17.228 1.590 -0.428 1.00 0.71 C ATOM 132 OD1 ASP A2062 -18.285 2.215 -0.212 1.00 1.42 O ATOM 133 OD2 ASP A2062 -17.209 0.384 -0.717 1.00 1.40 O ATOM 0 H ASP A2062 -13.764 3.369 0.310 1.00 0.45 H new ATOM 0 HA ASP A2062 -16.003 2.452 1.827 1.00 0.43 H new ATOM 0 HB2 ASP A2062 -16.076 3.385 -0.510 1.00 0.44 H new ATOM 0 HB3 ASP A2062 -15.229 1.959 -1.078 1.00 0.44 H new ATOM 138 N GLU A2063 -15.644 0.053 2.207 1.00 0.47 N ATOM 139 CA GLU A2063 -15.318 -1.302 2.610 1.00 0.52 C ATOM 140 C GLU A2063 -15.991 -2.340 1.710 1.00 0.51 C ATOM 141 O GLU A2063 -15.767 -3.537 1.869 1.00 0.58 O ATOM 142 CB GLU A2063 -15.734 -1.523 4.061 1.00 0.64 C ATOM 143 CG GLU A2063 -15.185 -0.480 5.019 1.00 0.72 C ATOM 144 CD GLU A2063 -15.676 -0.681 6.435 1.00 0.87 C ATOM 145 OE1 GLU A2063 -16.907 -0.720 6.641 1.00 1.55 O ATOM 146 OE2 GLU A2063 -14.837 -0.791 7.352 1.00 1.30 O ATOM 0 H GLU A2063 -16.447 0.457 2.689 1.00 0.47 H new ATOM 0 HA GLU A2063 -14.240 -1.429 2.512 1.00 0.52 H new ATOM 0 HB2 GLU A2063 -16.822 -1.522 4.122 1.00 0.64 H new ATOM 0 HB3 GLU A2063 -15.398 -2.509 4.380 1.00 0.64 H new ATOM 0 HG2 GLU A2063 -14.096 -0.517 5.007 1.00 0.72 H new ATOM 0 HG3 GLU A2063 -15.474 0.513 4.675 1.00 0.72 H new ATOM 153 N THR A2064 -16.799 -1.894 0.757 1.00 0.49 N ATOM 154 CA THR A2064 -17.511 -2.823 -0.111 1.00 0.54 C ATOM 155 C THR A2064 -16.908 -2.865 -1.518 1.00 0.50 C ATOM 156 O THR A2064 -17.314 -3.673 -2.352 1.00 0.59 O ATOM 157 CB THR A2064 -19.018 -2.493 -0.189 1.00 0.60 C ATOM 158 OG1 THR A2064 -19.225 -1.134 -0.592 1.00 0.58 O ATOM 159 CG2 THR A2064 -19.689 -2.725 1.156 1.00 0.69 C ATOM 0 H THR A2064 -16.977 -0.908 0.567 1.00 0.49 H new ATOM 0 HA THR A2064 -17.399 -3.810 0.337 1.00 0.54 H new ATOM 0 HB THR A2064 -19.461 -3.156 -0.932 1.00 0.60 H new ATOM 0 HG1 THR A2064 -18.369 -0.738 -0.858 1.00 0.58 H new ATOM 0 HG21 THR A2064 -20.750 -2.487 1.079 1.00 0.69 H new ATOM 0 HG22 THR A2064 -19.572 -3.769 1.446 1.00 0.69 H new ATOM 0 HG23 THR A2064 -19.227 -2.086 1.908 1.00 0.69 H new ATOM 167 N VAL A2065 -15.935 -1.999 -1.776 1.00 0.44 N ATOM 168 CA VAL A2065 -15.229 -2.004 -3.054 1.00 0.43 C ATOM 169 C VAL A2065 -13.935 -2.801 -2.928 1.00 0.37 C ATOM 170 O VAL A2065 -13.479 -3.064 -1.814 1.00 0.46 O ATOM 171 CB VAL A2065 -14.918 -0.572 -3.539 1.00 0.48 C ATOM 172 CG1 VAL A2065 -16.202 0.191 -3.815 1.00 0.82 C ATOM 173 CG2 VAL A2065 -14.067 0.166 -2.525 1.00 0.57 C ATOM 0 H VAL A2065 -15.617 -1.286 -1.120 1.00 0.44 H new ATOM 0 HA VAL A2065 -15.879 -2.473 -3.793 1.00 0.43 H new ATOM 0 HB VAL A2065 -14.355 -0.643 -4.469 1.00 0.48 H new ATOM 0 HG11 VAL A2065 -15.961 1.198 -4.156 1.00 0.82 H new ATOM 0 HG12 VAL A2065 -16.774 -0.326 -4.586 1.00 0.82 H new ATOM 0 HG13 VAL A2065 -16.794 0.249 -2.902 1.00 0.82 H new ATOM 0 HG21 VAL A2065 -13.860 1.173 -2.888 1.00 0.57 H new ATOM 0 HG22 VAL A2065 -14.600 0.224 -1.576 1.00 0.57 H new ATOM 0 HG23 VAL A2065 -13.128 -0.368 -2.381 1.00 0.57 H new ATOM 183 N GLU A2066 -13.353 -3.181 -4.064 1.00 0.34 N ATOM 184 CA GLU A2066 -12.180 -4.059 -4.080 1.00 0.32 C ATOM 185 C GLU A2066 -10.912 -3.338 -3.623 1.00 0.26 C ATOM 186 O GLU A2066 -10.455 -2.375 -4.257 1.00 0.28 O ATOM 187 CB GLU A2066 -11.958 -4.649 -5.480 1.00 0.40 C ATOM 188 CG GLU A2066 -10.730 -5.544 -5.578 1.00 0.43 C ATOM 189 CD GLU A2066 -10.549 -6.153 -6.952 1.00 0.61 C ATOM 190 OE1 GLU A2066 -9.663 -5.695 -7.705 1.00 0.68 O ATOM 191 OE2 GLU A2066 -11.297 -7.095 -7.290 1.00 0.78 O ATOM 0 H GLU A2066 -13.674 -2.895 -4.989 1.00 0.34 H new ATOM 0 HA GLU A2066 -12.384 -4.864 -3.374 1.00 0.32 H new ATOM 0 HB2 GLU A2066 -12.839 -5.223 -5.767 1.00 0.40 H new ATOM 0 HB3 GLU A2066 -11.861 -3.834 -6.197 1.00 0.40 H new ATOM 0 HG2 GLU A2066 -9.843 -4.963 -5.325 1.00 0.43 H new ATOM 0 HG3 GLU A2066 -10.810 -6.343 -4.840 1.00 0.43 H new ATOM 198 N PRO A2067 -10.362 -3.760 -2.474 1.00 0.27 N ATOM 199 CA PRO A2067 -9.055 -3.353 -2.015 1.00 0.30 C ATOM 200 C PRO A2067 -7.998 -4.436 -2.252 1.00 0.28 C ATOM 201 O PRO A2067 -7.997 -5.470 -1.585 1.00 0.34 O ATOM 202 CB PRO A2067 -9.313 -3.153 -0.524 1.00 0.41 C ATOM 203 CG PRO A2067 -10.445 -4.086 -0.178 1.00 0.45 C ATOM 204 CD PRO A2067 -10.991 -4.631 -1.479 1.00 0.37 C ATOM 0 HA PRO A2067 -8.662 -2.476 -2.530 1.00 0.30 H new ATOM 0 HB2 PRO A2067 -8.423 -3.383 0.062 1.00 0.41 H new ATOM 0 HB3 PRO A2067 -9.578 -2.118 -0.308 1.00 0.41 H new ATOM 0 HG2 PRO A2067 -10.094 -4.896 0.461 1.00 0.45 H new ATOM 0 HG3 PRO A2067 -11.223 -3.559 0.374 1.00 0.45 H new ATOM 0 HD2 PRO A2067 -10.721 -5.677 -1.626 1.00 0.37 H new ATOM 0 HD3 PRO A2067 -12.079 -4.574 -1.519 1.00 0.37 H new ATOM 212 N THR A2068 -7.097 -4.206 -3.194 1.00 0.29 N ATOM 213 CA THR A2068 -6.070 -5.187 -3.502 1.00 0.32 C ATOM 214 C THR A2068 -4.721 -4.521 -3.730 1.00 0.39 C ATOM 215 O THR A2068 -4.566 -3.314 -3.560 1.00 0.70 O ATOM 216 CB THR A2068 -6.437 -6.010 -4.758 1.00 0.34 C ATOM 217 OG1 THR A2068 -6.839 -5.138 -5.820 1.00 0.38 O ATOM 218 CG2 THR A2068 -7.549 -7.007 -4.465 1.00 0.36 C ATOM 0 H THR A2068 -7.056 -3.355 -3.755 1.00 0.29 H new ATOM 0 HA THR A2068 -6.004 -5.853 -2.641 1.00 0.32 H new ATOM 0 HB THR A2068 -5.550 -6.567 -5.060 1.00 0.34 H new ATOM 0 HG1 THR A2068 -7.067 -5.670 -6.611 1.00 0.38 H new ATOM 0 HG21 THR A2068 -7.782 -7.569 -5.370 1.00 0.36 H new ATOM 0 HG22 THR A2068 -7.224 -7.695 -3.684 1.00 0.36 H new ATOM 0 HG23 THR A2068 -8.438 -6.472 -4.131 1.00 0.36 H new ATOM 226 N PHE A2069 -3.732 -5.328 -4.043 1.00 0.25 N ATOM 227 CA PHE A2069 -2.462 -4.822 -4.520 1.00 0.26 C ATOM 228 C PHE A2069 -2.424 -5.005 -6.024 1.00 0.27 C ATOM 229 O PHE A2069 -3.078 -5.918 -6.524 1.00 0.31 O ATOM 230 CB PHE A2069 -1.297 -5.554 -3.848 1.00 0.31 C ATOM 231 CG PHE A2069 -1.223 -5.347 -2.356 1.00 0.28 C ATOM 232 CD1 PHE A2069 -2.368 -5.386 -1.576 1.00 1.14 C ATOM 233 CD2 PHE A2069 -0.008 -5.120 -1.735 1.00 1.12 C ATOM 234 CE1 PHE A2069 -2.310 -5.200 -0.218 1.00 1.16 C ATOM 235 CE2 PHE A2069 0.056 -4.933 -0.369 1.00 1.15 C ATOM 236 CZ PHE A2069 -1.102 -4.974 0.388 1.00 0.42 C ATOM 0 H PHE A2069 -3.783 -6.345 -3.975 1.00 0.25 H new ATOM 0 HA PHE A2069 -2.360 -3.766 -4.270 1.00 0.26 H new ATOM 0 HB2 PHE A2069 -1.385 -6.621 -4.053 1.00 0.31 H new ATOM 0 HB3 PHE A2069 -0.362 -5.219 -4.298 1.00 0.31 H new ATOM 0 HD1 PHE A2069 -3.324 -5.566 -2.046 1.00 1.14 H new ATOM 0 HD2 PHE A2069 0.897 -5.089 -2.323 1.00 1.12 H new ATOM 0 HE1 PHE A2069 -3.214 -5.232 0.372 1.00 1.16 H new ATOM 0 HE2 PHE A2069 1.008 -4.755 0.108 1.00 1.15 H new ATOM 0 HZ PHE A2069 -1.053 -4.828 1.457 1.00 0.42 H new ATOM 246 N GLU A2070 -1.683 -4.165 -6.737 1.00 0.30 N ATOM 247 CA GLU A2070 -1.742 -4.140 -8.203 1.00 0.36 C ATOM 248 C GLU A2070 -1.531 -5.533 -8.803 1.00 0.36 C ATOM 249 O GLU A2070 -2.214 -5.924 -9.757 1.00 0.44 O ATOM 250 CB GLU A2070 -0.705 -3.163 -8.762 1.00 0.52 C ATOM 251 CG GLU A2070 -0.805 -2.972 -10.267 1.00 0.66 C ATOM 252 CD GLU A2070 0.199 -1.975 -10.800 1.00 1.36 C ATOM 253 OE1 GLU A2070 1.282 -2.397 -11.255 1.00 2.09 O ATOM 254 OE2 GLU A2070 -0.091 -0.761 -10.776 1.00 2.01 O ATOM 0 H GLU A2070 -1.034 -3.492 -6.330 1.00 0.30 H new ATOM 0 HA GLU A2070 -2.740 -3.804 -8.485 1.00 0.36 H new ATOM 0 HB2 GLU A2070 -0.826 -2.197 -8.272 1.00 0.52 H new ATOM 0 HB3 GLU A2070 0.293 -3.524 -8.515 1.00 0.52 H new ATOM 0 HG2 GLU A2070 -0.654 -3.932 -10.761 1.00 0.66 H new ATOM 0 HG3 GLU A2070 -1.811 -2.638 -10.520 1.00 0.66 H new ATOM 261 N ASP A2071 -0.617 -6.288 -8.208 1.00 0.40 N ATOM 262 CA ASP A2071 -0.265 -7.618 -8.699 1.00 0.53 C ATOM 263 C ASP A2071 -1.300 -8.663 -8.269 1.00 0.50 C ATOM 264 O ASP A2071 -1.221 -9.827 -8.657 1.00 0.62 O ATOM 265 CB ASP A2071 1.123 -8.004 -8.180 1.00 0.69 C ATOM 266 CG ASP A2071 1.670 -9.259 -8.826 1.00 1.42 C ATOM 267 OD1 ASP A2071 2.193 -9.169 -9.958 1.00 2.06 O ATOM 268 OD2 ASP A2071 1.602 -10.338 -8.200 1.00 2.15 O ATOM 0 H ASP A2071 -0.101 -6.000 -7.377 1.00 0.40 H new ATOM 0 HA ASP A2071 -0.254 -7.591 -9.789 1.00 0.53 H new ATOM 0 HB2 ASP A2071 1.813 -7.180 -8.359 1.00 0.69 H new ATOM 0 HB3 ASP A2071 1.073 -8.150 -7.101 1.00 0.69 H new ATOM 273 N GLY A2072 -2.289 -8.237 -7.494 1.00 0.43 N ATOM 274 CA GLY A2072 -3.289 -9.159 -6.990 1.00 0.48 C ATOM 275 C GLY A2072 -2.903 -9.742 -5.648 1.00 0.48 C ATOM 276 O GLY A2072 -3.291 -10.859 -5.311 1.00 0.63 O ATOM 0 H GLY A2072 -2.417 -7.267 -7.205 1.00 0.43 H new ATOM 0 HA2 GLY A2072 -4.244 -8.642 -6.899 1.00 0.48 H new ATOM 0 HA3 GLY A2072 -3.431 -9.967 -7.708 1.00 0.48 H new ATOM 280 N SER A2073 -2.145 -8.979 -4.873 1.00 0.37 N ATOM 281 CA SER A2073 -1.667 -9.443 -3.577 1.00 0.38 C ATOM 282 C SER A2073 -2.557 -8.913 -2.451 1.00 0.35 C ATOM 283 O SER A2073 -3.410 -8.054 -2.681 1.00 0.38 O ATOM 284 CB SER A2073 -0.220 -8.993 -3.369 1.00 0.46 C ATOM 285 OG SER A2073 0.567 -9.289 -4.510 1.00 0.89 O ATOM 0 H SER A2073 -1.847 -8.035 -5.119 1.00 0.37 H new ATOM 0 HA SER A2073 -1.708 -10.532 -3.557 1.00 0.38 H new ATOM 0 HB2 SER A2073 -0.192 -7.922 -3.170 1.00 0.46 H new ATOM 0 HB3 SER A2073 0.198 -9.490 -2.494 1.00 0.46 H new ATOM 0 HG SER A2073 1.488 -8.992 -4.358 1.00 0.89 H new ATOM 291 N LYS A2074 -2.364 -9.442 -1.243 1.00 0.35 N ATOM 292 CA LYS A2074 -3.161 -9.036 -0.086 1.00 0.34 C ATOM 293 C LYS A2074 -2.268 -8.639 1.095 1.00 0.34 C ATOM 294 O LYS A2074 -2.723 -8.007 2.049 1.00 0.42 O ATOM 295 CB LYS A2074 -4.114 -10.164 0.321 1.00 0.39 C ATOM 296 CG LYS A2074 -5.158 -10.502 -0.734 1.00 0.53 C ATOM 297 CD LYS A2074 -6.133 -9.355 -0.953 1.00 0.43 C ATOM 298 CE LYS A2074 -7.189 -9.708 -1.990 1.00 0.55 C ATOM 299 NZ LYS A2074 -7.936 -10.939 -1.621 1.00 1.13 N ATOM 0 H LYS A2074 -1.662 -10.153 -1.040 1.00 0.35 H new ATOM 0 HA LYS A2074 -3.746 -8.161 -0.370 1.00 0.34 H new ATOM 0 HB2 LYS A2074 -3.530 -11.058 0.539 1.00 0.39 H new ATOM 0 HB3 LYS A2074 -4.622 -9.882 1.243 1.00 0.39 H new ATOM 0 HG2 LYS A2074 -4.661 -10.740 -1.674 1.00 0.53 H new ATOM 0 HG3 LYS A2074 -5.707 -11.393 -0.429 1.00 0.53 H new ATOM 0 HD2 LYS A2074 -6.618 -9.104 -0.010 1.00 0.43 H new ATOM 0 HD3 LYS A2074 -5.587 -8.469 -1.276 1.00 0.43 H new ATOM 0 HE2 LYS A2074 -7.887 -8.877 -2.095 1.00 0.55 H new ATOM 0 HE3 LYS A2074 -6.713 -9.849 -2.960 1.00 0.55 H new ATOM 0 HZ1 LYS A2074 -8.946 -10.809 -1.834 1.00 1.13 H new ATOM 0 HZ2 LYS A2074 -7.568 -11.745 -2.166 1.00 1.13 H new ATOM 0 HZ3 LYS A2074 -7.818 -11.125 -0.605 1.00 1.13 H new ATOM 313 N GLU A2075 -1.004 -9.032 1.035 1.00 0.33 N ATOM 314 CA GLU A2075 -0.010 -8.599 2.006 1.00 0.32 C ATOM 315 C GLU A2075 1.375 -8.696 1.398 1.00 0.34 C ATOM 316 O GLU A2075 1.799 -9.763 0.956 1.00 0.47 O ATOM 317 CB GLU A2075 -0.067 -9.427 3.300 1.00 0.36 C ATOM 318 CG GLU A2075 1.226 -9.399 4.103 1.00 0.91 C ATOM 319 CD GLU A2075 1.280 -10.472 5.172 1.00 1.40 C ATOM 320 OE1 GLU A2075 0.478 -10.413 6.123 1.00 2.08 O ATOM 321 OE2 GLU A2075 2.135 -11.378 5.069 1.00 1.88 O ATOM 0 H GLU A2075 -0.640 -9.657 0.316 1.00 0.33 H new ATOM 0 HA GLU A2075 -0.233 -7.564 2.266 1.00 0.32 H new ATOM 0 HB2 GLU A2075 -0.880 -9.054 3.924 1.00 0.36 H new ATOM 0 HB3 GLU A2075 -0.306 -10.460 3.049 1.00 0.36 H new ATOM 0 HG2 GLU A2075 2.071 -9.525 3.426 1.00 0.91 H new ATOM 0 HG3 GLU A2075 1.336 -8.421 4.571 1.00 0.91 H new ATOM 328 N LYS A2076 2.062 -7.575 1.348 1.00 0.35 N ATOM 329 CA LYS A2076 3.453 -7.569 0.960 1.00 0.38 C ATOM 330 C LYS A2076 4.301 -7.115 2.126 1.00 0.37 C ATOM 331 O LYS A2076 4.087 -6.039 2.683 1.00 0.37 O ATOM 332 CB LYS A2076 3.693 -6.688 -0.269 1.00 0.44 C ATOM 333 CG LYS A2076 3.431 -7.403 -1.588 1.00 0.88 C ATOM 334 CD LYS A2076 4.325 -8.630 -1.752 1.00 0.91 C ATOM 335 CE LYS A2076 5.798 -8.255 -1.855 1.00 0.88 C ATOM 336 NZ LYS A2076 6.206 -8.004 -3.260 1.00 1.48 N ATOM 0 H LYS A2076 1.678 -6.657 1.572 1.00 0.35 H new ATOM 0 HA LYS A2076 3.739 -8.584 0.684 1.00 0.38 H new ATOM 0 HB2 LYS A2076 3.051 -5.809 -0.207 1.00 0.44 H new ATOM 0 HB3 LYS A2076 4.723 -6.332 -0.256 1.00 0.44 H new ATOM 0 HG2 LYS A2076 2.385 -7.706 -1.636 1.00 0.88 H new ATOM 0 HG3 LYS A2076 3.602 -6.715 -2.416 1.00 0.88 H new ATOM 0 HD2 LYS A2076 4.180 -9.300 -0.904 1.00 0.91 H new ATOM 0 HD3 LYS A2076 4.027 -9.178 -2.646 1.00 0.91 H new ATOM 0 HE2 LYS A2076 5.989 -7.364 -1.256 1.00 0.88 H new ATOM 0 HE3 LYS A2076 6.407 -9.057 -1.437 1.00 0.88 H new ATOM 0 HZ1 LYS A2076 7.070 -7.425 -3.272 1.00 1.48 H new ATOM 0 HZ2 LYS A2076 6.390 -8.911 -3.735 1.00 1.48 H new ATOM 0 HZ3 LYS A2076 5.445 -7.500 -3.758 1.00 1.48 H new ATOM 350 N THR A2077 5.227 -7.963 2.524 1.00 0.45 N ATOM 351 CA THR A2077 6.104 -7.659 3.627 1.00 0.47 C ATOM 352 C THR A2077 7.552 -7.889 3.244 1.00 0.52 C ATOM 353 O THR A2077 7.934 -8.987 2.841 1.00 0.63 O ATOM 354 CB THR A2077 5.770 -8.514 4.862 1.00 0.50 C ATOM 355 OG1 THR A2077 4.394 -8.344 5.213 1.00 0.48 O ATOM 356 CG2 THR A2077 6.651 -8.133 6.043 1.00 0.55 C ATOM 0 H THR A2077 5.389 -8.874 2.094 1.00 0.45 H new ATOM 0 HA THR A2077 5.955 -6.608 3.873 1.00 0.47 H new ATOM 0 HB THR A2077 5.958 -9.559 4.615 1.00 0.50 H new ATOM 0 HG1 THR A2077 4.327 -7.777 6.009 1.00 0.48 H new ATOM 0 HG21 THR A2077 6.395 -8.752 6.903 1.00 0.55 H new ATOM 0 HG22 THR A2077 7.698 -8.290 5.782 1.00 0.55 H new ATOM 0 HG23 THR A2077 6.493 -7.084 6.291 1.00 0.55 H new ATOM 364 N ILE A2078 8.340 -6.843 3.349 1.00 0.51 N ATOM 365 CA ILE A2078 9.775 -6.944 3.185 1.00 0.60 C ATOM 366 C ILE A2078 10.418 -6.490 4.483 1.00 0.60 C ATOM 367 O ILE A2078 10.110 -5.402 4.964 1.00 0.53 O ATOM 368 CB ILE A2078 10.279 -6.072 2.009 1.00 0.67 C ATOM 369 CG1 ILE A2078 9.563 -6.454 0.707 1.00 0.75 C ATOM 370 CG2 ILE A2078 11.787 -6.203 1.848 1.00 0.80 C ATOM 371 CD1 ILE A2078 9.806 -7.883 0.262 1.00 1.62 C ATOM 0 H ILE A2078 8.007 -5.900 3.550 1.00 0.51 H new ATOM 0 HA ILE A2078 10.043 -7.975 2.954 1.00 0.60 H new ATOM 0 HB ILE A2078 10.049 -5.031 2.235 1.00 0.67 H new ATOM 0 HG12 ILE A2078 8.491 -6.303 0.837 1.00 0.75 H new ATOM 0 HG13 ILE A2078 9.887 -5.778 -0.085 1.00 0.75 H new ATOM 0 HG21 ILE A2078 12.119 -5.582 1.016 1.00 0.80 H new ATOM 0 HG22 ILE A2078 12.280 -5.877 2.764 1.00 0.80 H new ATOM 0 HG23 ILE A2078 12.043 -7.244 1.649 1.00 0.80 H new ATOM 0 HD11 ILE A2078 9.265 -8.072 -0.665 1.00 1.62 H new ATOM 0 HD12 ILE A2078 10.873 -8.037 0.098 1.00 1.62 H new ATOM 0 HD13 ILE A2078 9.455 -8.569 1.033 1.00 1.62 H new ATOM 383 N PRO A2079 11.269 -7.331 5.099 1.00 0.72 N ATOM 384 CA PRO A2079 11.888 -7.014 6.392 1.00 0.79 C ATOM 385 C PRO A2079 12.561 -5.649 6.391 1.00 0.74 C ATOM 386 O PRO A2079 13.611 -5.462 5.777 1.00 0.76 O ATOM 387 CB PRO A2079 12.926 -8.122 6.572 1.00 0.94 C ATOM 388 CG PRO A2079 12.406 -9.261 5.769 1.00 0.98 C ATOM 389 CD PRO A2079 11.690 -8.652 4.595 1.00 0.85 C ATOM 0 HA PRO A2079 11.152 -6.968 7.195 1.00 0.79 H new ATOM 0 HB2 PRO A2079 13.908 -7.805 6.221 1.00 0.94 H new ATOM 0 HB3 PRO A2079 13.036 -8.395 7.622 1.00 0.94 H new ATOM 0 HG2 PRO A2079 13.219 -9.907 5.437 1.00 0.98 H new ATOM 0 HG3 PRO A2079 11.730 -9.878 6.361 1.00 0.98 H new ATOM 0 HD2 PRO A2079 12.345 -8.561 3.728 1.00 0.85 H new ATOM 0 HD3 PRO A2079 10.836 -9.256 4.288 1.00 0.85 H new ATOM 397 N GLY A2080 11.946 -4.701 7.087 1.00 0.73 N ATOM 398 CA GLY A2080 12.467 -3.353 7.139 1.00 0.76 C ATOM 399 C GLY A2080 11.637 -2.377 6.326 1.00 0.70 C ATOM 400 O GLY A2080 11.646 -1.177 6.595 1.00 0.94 O ATOM 0 H GLY A2080 11.088 -4.846 7.620 1.00 0.73 H new ATOM 0 HA2 GLY A2080 12.501 -3.020 8.176 1.00 0.76 H new ATOM 0 HA3 GLY A2080 13.492 -3.349 6.769 1.00 0.76 H new ATOM 404 N GLN A2081 10.905 -2.891 5.344 1.00 0.54 N ATOM 405 CA GLN A2081 10.116 -2.051 4.447 1.00 0.53 C ATOM 406 C GLN A2081 8.709 -1.865 5.000 1.00 0.50 C ATOM 407 O GLN A2081 8.072 -0.834 4.780 1.00 0.57 O ATOM 408 CB GLN A2081 10.045 -2.680 3.054 1.00 0.57 C ATOM 409 CG GLN A2081 9.665 -1.697 1.959 1.00 0.95 C ATOM 410 CD GLN A2081 9.560 -2.351 0.594 1.00 1.09 C ATOM 411 OE1 GLN A2081 10.551 -2.484 -0.120 1.00 2.02 O ATOM 412 NE2 GLN A2081 8.354 -2.725 0.201 1.00 0.87 N ATOM 0 H GLN A2081 10.841 -3.890 5.147 1.00 0.54 H new ATOM 0 HA GLN A2081 10.600 -1.077 4.372 1.00 0.53 H new ATOM 0 HB2 GLN A2081 11.013 -3.121 2.814 1.00 0.57 H new ATOM 0 HB3 GLN A2081 9.319 -3.493 3.069 1.00 0.57 H new ATOM 0 HG2 GLN A2081 8.711 -1.232 2.209 1.00 0.95 H new ATOM 0 HG3 GLN A2081 10.407 -0.900 1.919 1.00 0.95 H new ATOM 0 HE21 GLN A2081 7.554 -2.599 0.821 1.00 0.87 H new ATOM 0 HE22 GLN A2081 8.224 -3.139 -0.722 1.00 0.87 H new ATOM 421 N GLY A2082 8.228 -2.876 5.709 1.00 0.47 N ATOM 422 CA GLY A2082 6.932 -2.780 6.350 1.00 0.50 C ATOM 423 C GLY A2082 5.942 -3.796 5.828 1.00 0.40 C ATOM 424 O GLY A2082 6.298 -4.680 5.042 1.00 0.45 O ATOM 0 H GLY A2082 8.712 -3.762 5.852 1.00 0.47 H new ATOM 0 HA2 GLY A2082 7.053 -2.916 7.425 1.00 0.50 H new ATOM 0 HA3 GLY A2082 6.531 -1.778 6.199 1.00 0.50 H new ATOM 428 N THR A2083 4.699 -3.673 6.273 1.00 0.33 N ATOM 429 CA THR A2083 3.631 -4.541 5.816 1.00 0.29 C ATOM 430 C THR A2083 2.435 -3.714 5.384 1.00 0.25 C ATOM 431 O THR A2083 2.013 -2.780 6.072 1.00 0.30 O ATOM 432 CB THR A2083 3.171 -5.539 6.902 1.00 0.36 C ATOM 433 OG1 THR A2083 4.291 -6.294 7.388 1.00 0.49 O ATOM 434 CG2 THR A2083 2.108 -6.496 6.353 1.00 0.36 C ATOM 0 H THR A2083 4.407 -2.973 6.956 1.00 0.33 H new ATOM 0 HA THR A2083 4.031 -5.110 4.977 1.00 0.29 H new ATOM 0 HB THR A2083 2.736 -4.967 7.721 1.00 0.36 H new ATOM 0 HG1 THR A2083 3.988 -6.922 8.077 1.00 0.49 H new ATOM 0 HG21 THR A2083 1.801 -7.188 7.137 1.00 0.36 H new ATOM 0 HG22 THR A2083 1.244 -5.924 6.015 1.00 0.36 H new ATOM 0 HG23 THR A2083 2.522 -7.057 5.515 1.00 0.36 H new ATOM 442 N TYR A2084 1.914 -4.044 4.230 1.00 0.28 N ATOM 443 CA TYR A2084 0.681 -3.463 3.757 1.00 0.34 C ATOM 444 C TYR A2084 -0.357 -4.569 3.772 1.00 0.32 C ATOM 445 O TYR A2084 -0.230 -5.553 3.047 1.00 0.29 O ATOM 446 CB TYR A2084 0.884 -2.886 2.354 1.00 0.43 C ATOM 447 CG TYR A2084 2.317 -2.463 2.113 1.00 0.44 C ATOM 448 CD1 TYR A2084 2.785 -1.227 2.540 1.00 1.13 C ATOM 449 CD2 TYR A2084 3.212 -3.325 1.494 1.00 1.38 C ATOM 450 CE1 TYR A2084 4.107 -0.868 2.359 1.00 1.15 C ATOM 451 CE2 TYR A2084 4.531 -2.970 1.303 1.00 1.44 C ATOM 452 CZ TYR A2084 4.974 -1.743 1.739 1.00 0.62 C ATOM 453 OH TYR A2084 6.294 -1.399 1.570 1.00 0.76 O ATOM 0 H TYR A2084 2.331 -4.722 3.592 1.00 0.28 H new ATOM 0 HA TYR A2084 0.350 -2.639 4.389 1.00 0.34 H new ATOM 0 HB2 TYR A2084 0.597 -3.630 1.612 1.00 0.43 H new ATOM 0 HB3 TYR A2084 0.226 -2.028 2.217 1.00 0.43 H new ATOM 0 HD1 TYR A2084 2.107 -0.537 3.020 1.00 1.13 H new ATOM 0 HD2 TYR A2084 2.869 -4.292 1.156 1.00 1.38 H new ATOM 0 HE1 TYR A2084 4.460 0.094 2.702 1.00 1.15 H new ATOM 0 HE2 TYR A2084 5.212 -3.651 0.814 1.00 1.44 H new ATOM 0 HH TYR A2084 6.365 -0.430 1.439 1.00 0.76 H new ATOM 463 N THR A2085 -1.337 -4.445 4.645 1.00 0.39 N ATOM 464 CA THR A2085 -2.265 -5.533 4.884 1.00 0.40 C ATOM 465 C THR A2085 -3.703 -5.148 4.573 1.00 0.41 C ATOM 466 O THR A2085 -4.186 -4.092 4.991 1.00 0.49 O ATOM 467 CB THR A2085 -2.164 -6.015 6.344 1.00 0.46 C ATOM 468 OG1 THR A2085 -1.504 -5.019 7.142 1.00 0.63 O ATOM 469 CG2 THR A2085 -1.404 -7.329 6.430 1.00 0.57 C ATOM 0 H THR A2085 -1.511 -3.606 5.198 1.00 0.39 H new ATOM 0 HA THR A2085 -1.984 -6.341 4.208 1.00 0.40 H new ATOM 0 HB THR A2085 -3.173 -6.175 6.723 1.00 0.46 H new ATOM 0 HG1 THR A2085 -1.444 -5.330 8.069 1.00 0.63 H new ATOM 0 HG21 THR A2085 -1.346 -7.648 7.471 1.00 0.57 H new ATOM 0 HG22 THR A2085 -1.923 -8.089 5.846 1.00 0.57 H new ATOM 0 HG23 THR A2085 -0.397 -7.193 6.036 1.00 0.57 H new ATOM 477 N ILE A2086 -4.372 -6.010 3.824 1.00 0.39 N ATOM 478 CA ILE A2086 -5.782 -5.846 3.537 1.00 0.40 C ATOM 479 C ILE A2086 -6.548 -7.076 4.018 1.00 0.45 C ATOM 480 O ILE A2086 -6.085 -8.205 3.853 1.00 0.55 O ATOM 481 CB ILE A2086 -6.032 -5.597 2.022 1.00 0.47 C ATOM 482 CG1 ILE A2086 -7.534 -5.531 1.686 1.00 0.56 C ATOM 483 CG2 ILE A2086 -5.345 -6.656 1.178 1.00 0.57 C ATOM 484 CD1 ILE A2086 -8.181 -6.869 1.375 1.00 1.18 C ATOM 0 H ILE A2086 -3.953 -6.838 3.401 1.00 0.39 H new ATOM 0 HA ILE A2086 -6.143 -4.967 4.071 1.00 0.40 H new ATOM 0 HB ILE A2086 -5.600 -4.625 1.783 1.00 0.47 H new ATOM 0 HG12 ILE A2086 -8.059 -5.077 2.526 1.00 0.56 H new ATOM 0 HG13 ILE A2086 -7.671 -4.870 0.830 1.00 0.56 H new ATOM 0 HG21 ILE A2086 -5.535 -6.460 0.123 1.00 0.57 H new ATOM 0 HG22 ILE A2086 -4.271 -6.630 1.365 1.00 0.57 H new ATOM 0 HG23 ILE A2086 -5.735 -7.640 1.440 1.00 0.57 H new ATOM 0 HD11 ILE A2086 -9.237 -6.719 1.151 1.00 1.18 H new ATOM 0 HD12 ILE A2086 -7.688 -7.320 0.514 1.00 1.18 H new ATOM 0 HD13 ILE A2086 -8.083 -7.530 2.236 1.00 1.18 H new ATOM 496 N VAL A2087 -7.701 -6.853 4.635 1.00 0.49 N ATOM 497 CA VAL A2087 -8.569 -7.951 5.043 1.00 0.59 C ATOM 498 C VAL A2087 -9.918 -7.840 4.331 1.00 0.58 C ATOM 499 O VAL A2087 -10.340 -6.740 3.955 1.00 0.53 O ATOM 500 CB VAL A2087 -8.773 -7.988 6.577 1.00 0.73 C ATOM 501 CG1 VAL A2087 -7.451 -8.238 7.289 1.00 0.78 C ATOM 502 CG2 VAL A2087 -9.410 -6.703 7.076 1.00 0.80 C ATOM 0 H VAL A2087 -8.057 -5.925 4.864 1.00 0.49 H new ATOM 0 HA VAL A2087 -8.082 -8.884 4.757 1.00 0.59 H new ATOM 0 HB VAL A2087 -9.450 -8.811 6.804 1.00 0.73 H new ATOM 0 HG11 VAL A2087 -7.616 -8.260 8.366 1.00 0.78 H new ATOM 0 HG12 VAL A2087 -7.038 -9.194 6.965 1.00 0.78 H new ATOM 0 HG13 VAL A2087 -6.750 -7.439 7.046 1.00 0.78 H new ATOM 0 HG21 VAL A2087 -9.541 -6.758 8.157 1.00 0.80 H new ATOM 0 HG22 VAL A2087 -8.766 -5.859 6.831 1.00 0.80 H new ATOM 0 HG23 VAL A2087 -10.381 -6.569 6.599 1.00 0.80 H new ATOM 512 N PRO A2088 -10.610 -8.987 4.138 1.00 0.66 N ATOM 513 CA PRO A2088 -11.820 -9.085 3.293 1.00 0.68 C ATOM 514 C PRO A2088 -12.978 -8.198 3.749 1.00 0.66 C ATOM 515 O PRO A2088 -14.008 -8.124 3.076 1.00 0.69 O ATOM 516 CB PRO A2088 -12.227 -10.560 3.399 1.00 0.81 C ATOM 517 CG PRO A2088 -11.012 -11.273 3.879 1.00 0.97 C ATOM 518 CD PRO A2088 -10.262 -10.293 4.731 1.00 0.78 C ATOM 0 HA PRO A2088 -11.599 -8.745 2.281 1.00 0.68 H new ATOM 0 HB2 PRO A2088 -13.058 -10.689 4.093 1.00 0.81 H new ATOM 0 HB3 PRO A2088 -12.554 -10.947 2.434 1.00 0.81 H new ATOM 0 HG2 PRO A2088 -11.282 -12.160 4.452 1.00 0.97 H new ATOM 0 HG3 PRO A2088 -10.401 -11.608 3.041 1.00 0.97 H new ATOM 0 HD2 PRO A2088 -10.566 -10.354 5.776 1.00 0.78 H new ATOM 0 HD3 PRO A2088 -9.188 -10.474 4.701 1.00 0.78 H new ATOM 526 N ASP A2089 -12.816 -7.528 4.881 1.00 0.67 N ATOM 527 CA ASP A2089 -13.834 -6.610 5.372 1.00 0.73 C ATOM 528 C ASP A2089 -13.852 -5.345 4.528 1.00 0.66 C ATOM 529 O ASP A2089 -14.782 -4.545 4.609 1.00 0.73 O ATOM 530 CB ASP A2089 -13.588 -6.257 6.838 1.00 0.85 C ATOM 531 CG ASP A2089 -13.727 -7.457 7.748 1.00 1.59 C ATOM 532 OD1 ASP A2089 -14.871 -7.880 8.009 1.00 2.29 O ATOM 533 OD2 ASP A2089 -12.694 -7.981 8.206 1.00 2.26 O ATOM 0 H ASP A2089 -11.991 -7.603 5.476 1.00 0.67 H new ATOM 0 HA ASP A2089 -14.803 -7.104 5.295 1.00 0.73 H new ATOM 0 HB2 ASP A2089 -12.588 -5.836 6.945 1.00 0.85 H new ATOM 0 HB3 ASP A2089 -14.293 -5.486 7.147 1.00 0.85 H new ATOM 538 N GLY A2090 -12.815 -5.176 3.716 1.00 0.59 N ATOM 539 CA GLY A2090 -12.747 -4.041 2.822 1.00 0.63 C ATOM 540 C GLY A2090 -11.886 -2.928 3.374 1.00 0.70 C ATOM 541 O GLY A2090 -11.933 -1.799 2.889 1.00 0.83 O ATOM 0 H GLY A2090 -12.017 -5.810 3.663 1.00 0.59 H new ATOM 0 HA2 GLY A2090 -12.349 -4.362 1.860 1.00 0.63 H new ATOM 0 HA3 GLY A2090 -13.753 -3.663 2.640 1.00 0.63 H new ATOM 545 N THR A2091 -11.083 -3.251 4.372 1.00 0.70 N ATOM 546 CA THR A2091 -10.236 -2.262 5.015 1.00 0.79 C ATOM 547 C THR A2091 -8.762 -2.594 4.789 1.00 0.60 C ATOM 548 O THR A2091 -8.372 -3.766 4.778 1.00 0.59 O ATOM 549 CB THR A2091 -10.550 -2.157 6.529 1.00 1.05 C ATOM 550 OG1 THR A2091 -9.679 -1.210 7.165 1.00 1.51 O ATOM 551 CG2 THR A2091 -10.419 -3.509 7.216 1.00 0.86 C ATOM 0 H THR A2091 -10.999 -4.192 4.756 1.00 0.70 H new ATOM 0 HA THR A2091 -10.445 -1.292 4.564 1.00 0.79 H new ATOM 0 HB THR A2091 -11.581 -1.816 6.624 1.00 1.05 H new ATOM 0 HG1 THR A2091 -9.894 -1.157 8.120 1.00 1.51 H new ATOM 0 HG21 THR A2091 -10.646 -3.402 8.277 1.00 0.86 H new ATOM 0 HG22 THR A2091 -11.117 -4.215 6.766 1.00 0.86 H new ATOM 0 HG23 THR A2091 -9.401 -3.880 7.098 1.00 0.86 H new ATOM 559 N VAL A2092 -7.959 -1.558 4.569 1.00 0.60 N ATOM 560 CA VAL A2092 -6.535 -1.720 4.305 1.00 0.54 C ATOM 561 C VAL A2092 -5.735 -0.740 5.151 1.00 0.55 C ATOM 562 O VAL A2092 -6.227 0.336 5.494 1.00 0.78 O ATOM 563 CB VAL A2092 -6.194 -1.470 2.816 1.00 0.79 C ATOM 564 CG1 VAL A2092 -4.773 -1.910 2.498 1.00 1.02 C ATOM 565 CG2 VAL A2092 -7.180 -2.171 1.905 1.00 1.18 C ATOM 0 H VAL A2092 -8.275 -0.588 4.569 1.00 0.60 H new ATOM 0 HA VAL A2092 -6.276 -2.748 4.557 1.00 0.54 H new ATOM 0 HB VAL A2092 -6.268 -0.397 2.638 1.00 0.79 H new ATOM 0 HG11 VAL A2092 -4.561 -1.723 1.445 1.00 1.02 H new ATOM 0 HG12 VAL A2092 -4.072 -1.348 3.115 1.00 1.02 H new ATOM 0 HG13 VAL A2092 -4.667 -2.975 2.706 1.00 1.02 H new ATOM 0 HG21 VAL A2092 -6.916 -1.978 0.865 1.00 1.18 H new ATOM 0 HG22 VAL A2092 -7.150 -3.244 2.094 1.00 1.18 H new ATOM 0 HG23 VAL A2092 -8.185 -1.796 2.100 1.00 1.18 H new ATOM 575 N THR A2093 -4.515 -1.118 5.493 1.00 0.47 N ATOM 576 CA THR A2093 -3.608 -0.223 6.181 1.00 0.53 C ATOM 577 C THR A2093 -2.291 -0.124 5.417 1.00 0.44 C ATOM 578 O THR A2093 -1.631 -1.134 5.147 1.00 0.41 O ATOM 579 CB THR A2093 -3.354 -0.667 7.641 1.00 0.71 C ATOM 580 OG1 THR A2093 -2.355 0.165 8.246 1.00 1.46 O ATOM 581 CG2 THR A2093 -2.920 -2.124 7.715 1.00 0.71 C ATOM 0 H THR A2093 -4.131 -2.044 5.303 1.00 0.47 H new ATOM 0 HA THR A2093 -4.077 0.760 6.219 1.00 0.53 H new ATOM 0 HB THR A2093 -4.293 -0.564 8.185 1.00 0.71 H new ATOM 0 HG1 THR A2093 -1.470 -0.233 8.108 1.00 1.46 H new ATOM 0 HG21 THR A2093 -2.751 -2.401 8.756 1.00 0.71 H new ATOM 0 HG22 THR A2093 -3.700 -2.758 7.293 1.00 0.71 H new ATOM 0 HG23 THR A2093 -1.998 -2.258 7.149 1.00 0.71 H new ATOM 589 N PHE A2094 -1.932 1.091 5.030 1.00 0.46 N ATOM 590 CA PHE A2094 -0.676 1.324 4.340 1.00 0.42 C ATOM 591 C PHE A2094 0.412 1.625 5.364 1.00 0.43 C ATOM 592 O PHE A2094 0.512 2.747 5.860 1.00 0.52 O ATOM 593 CB PHE A2094 -0.802 2.492 3.337 1.00 0.51 C ATOM 594 CG PHE A2094 -1.799 2.269 2.219 1.00 0.47 C ATOM 595 CD1 PHE A2094 -2.272 0.997 1.931 1.00 1.21 C ATOM 596 CD2 PHE A2094 -2.262 3.335 1.449 1.00 1.26 C ATOM 597 CE1 PHE A2094 -3.179 0.793 0.909 1.00 1.23 C ATOM 598 CE2 PHE A2094 -3.168 3.129 0.428 1.00 1.27 C ATOM 599 CZ PHE A2094 -3.627 1.857 0.160 1.00 0.55 C ATOM 0 H PHE A2094 -2.493 1.929 5.183 1.00 0.46 H new ATOM 0 HA PHE A2094 -0.413 0.428 3.778 1.00 0.42 H new ATOM 0 HB2 PHE A2094 -1.086 3.391 3.883 1.00 0.51 H new ATOM 0 HB3 PHE A2094 0.177 2.682 2.898 1.00 0.51 H new ATOM 0 HD1 PHE A2094 -1.927 0.155 2.513 1.00 1.21 H new ATOM 0 HD2 PHE A2094 -1.907 4.334 1.654 1.00 1.26 H new ATOM 0 HE1 PHE A2094 -3.537 -0.204 0.697 1.00 1.23 H new ATOM 0 HE2 PHE A2094 -3.517 3.964 -0.161 1.00 1.27 H new ATOM 0 HZ PHE A2094 -4.338 1.696 -0.637 1.00 0.55 H new ATOM 609 N THR A2095 1.211 0.616 5.701 1.00 0.37 N ATOM 610 CA THR A2095 2.301 0.809 6.644 1.00 0.39 C ATOM 611 C THR A2095 3.651 0.641 5.942 1.00 0.37 C ATOM 612 O THR A2095 4.213 -0.453 5.904 1.00 0.37 O ATOM 613 CB THR A2095 2.201 -0.194 7.812 1.00 0.47 C ATOM 614 OG1 THR A2095 0.854 -0.243 8.305 1.00 0.58 O ATOM 615 CG2 THR A2095 3.139 0.195 8.945 1.00 0.58 C ATOM 0 H THR A2095 1.123 -0.333 5.338 1.00 0.37 H new ATOM 0 HA THR A2095 2.224 1.821 7.041 1.00 0.39 H new ATOM 0 HB THR A2095 2.491 -1.176 7.439 1.00 0.47 H new ATOM 0 HG1 THR A2095 0.800 -0.883 9.045 1.00 0.58 H new ATOM 0 HG21 THR A2095 3.049 -0.528 9.756 1.00 0.58 H new ATOM 0 HG22 THR A2095 4.166 0.205 8.580 1.00 0.58 H new ATOM 0 HG23 THR A2095 2.875 1.187 9.312 1.00 0.58 H new ATOM 623 N PRO A2096 4.175 1.733 5.364 1.00 0.50 N ATOM 624 CA PRO A2096 5.460 1.737 4.683 1.00 0.61 C ATOM 625 C PRO A2096 6.607 2.133 5.608 1.00 0.69 C ATOM 626 O PRO A2096 6.397 2.404 6.794 1.00 0.81 O ATOM 627 CB PRO A2096 5.236 2.806 3.617 1.00 0.88 C ATOM 628 CG PRO A2096 4.347 3.810 4.272 1.00 0.98 C ATOM 629 CD PRO A2096 3.549 3.066 5.320 1.00 0.69 C ATOM 0 HA PRO A2096 5.745 0.758 4.298 1.00 0.61 H new ATOM 0 HB2 PRO A2096 6.178 3.256 3.303 1.00 0.88 H new ATOM 0 HB3 PRO A2096 4.770 2.386 2.726 1.00 0.88 H new ATOM 0 HG2 PRO A2096 4.934 4.608 4.727 1.00 0.98 H new ATOM 0 HG3 PRO A2096 3.686 4.277 3.542 1.00 0.98 H new ATOM 0 HD2 PRO A2096 3.600 3.563 6.289 1.00 0.69 H new ATOM 0 HD3 PRO A2096 2.495 3.003 5.049 1.00 0.69 H new ATOM 637 N ASP A2097 7.812 2.164 5.066 1.00 0.89 N ATOM 638 CA ASP A2097 8.955 2.713 5.780 1.00 1.14 C ATOM 639 C ASP A2097 9.700 3.675 4.868 1.00 1.37 C ATOM 640 O ASP A2097 9.852 3.421 3.672 1.00 1.39 O ATOM 641 CB ASP A2097 9.900 1.616 6.273 1.00 1.24 C ATOM 642 CG ASP A2097 10.856 2.131 7.333 1.00 2.06 C ATOM 643 OD1 ASP A2097 10.583 1.921 8.534 1.00 2.61 O ATOM 644 OD2 ASP A2097 11.865 2.776 6.980 1.00 2.72 O ATOM 0 H ASP A2097 8.026 1.815 4.132 1.00 0.89 H new ATOM 0 HA ASP A2097 8.586 3.242 6.659 1.00 1.14 H new ATOM 0 HB2 ASP A2097 9.317 0.790 6.680 1.00 1.24 H new ATOM 0 HB3 ASP A2097 10.469 1.221 5.431 1.00 1.24 H new ATOM 649 N LYS A2098 10.144 4.782 5.437 1.00 1.89 N ATOM 650 CA LYS A2098 10.728 5.868 4.664 1.00 2.37 C ATOM 651 C LYS A2098 12.240 5.707 4.510 1.00 2.32 C ATOM 652 O LYS A2098 12.828 6.193 3.543 1.00 2.66 O ATOM 653 CB LYS A2098 10.410 7.193 5.361 1.00 3.03 C ATOM 654 CG LYS A2098 10.823 8.431 4.584 1.00 3.48 C ATOM 655 CD LYS A2098 10.639 9.711 5.398 1.00 4.03 C ATOM 656 CE LYS A2098 9.184 9.955 5.794 1.00 4.43 C ATOM 657 NZ LYS A2098 8.773 9.176 6.999 1.00 4.81 N ATOM 0 H LYS A2098 10.111 4.955 6.442 1.00 1.89 H new ATOM 0 HA LYS A2098 10.298 5.852 3.663 1.00 2.37 H new ATOM 0 HB2 LYS A2098 9.338 7.240 5.551 1.00 3.03 H new ATOM 0 HB3 LYS A2098 10.907 7.206 6.331 1.00 3.03 H new ATOM 0 HG2 LYS A2098 11.867 8.339 4.286 1.00 3.48 H new ATOM 0 HG3 LYS A2098 10.235 8.497 3.669 1.00 3.48 H new ATOM 0 HD2 LYS A2098 11.252 9.655 6.298 1.00 4.03 H new ATOM 0 HD3 LYS A2098 11.001 10.560 4.818 1.00 4.03 H new ATOM 0 HE2 LYS A2098 9.038 11.018 5.987 1.00 4.43 H new ATOM 0 HE3 LYS A2098 8.536 9.691 4.958 1.00 4.43 H new ATOM 0 HZ1 LYS A2098 8.055 8.474 6.730 1.00 4.81 H new ATOM 0 HZ2 LYS A2098 9.601 8.689 7.397 1.00 4.81 H new ATOM 0 HZ3 LYS A2098 8.376 9.822 7.711 1.00 4.81 H new ATOM 671 N GLN A2099 12.864 5.016 5.455 1.00 2.03 N ATOM 672 CA GLN A2099 14.318 4.945 5.509 1.00 2.09 C ATOM 673 C GLN A2099 14.818 3.512 5.399 1.00 1.67 C ATOM 674 O GLN A2099 15.797 3.138 6.049 1.00 1.81 O ATOM 675 CB GLN A2099 14.824 5.561 6.814 1.00 2.41 C ATOM 676 CG GLN A2099 14.467 7.028 6.978 1.00 2.99 C ATOM 677 CD GLN A2099 15.117 7.919 5.936 1.00 3.86 C ATOM 678 OE1 GLN A2099 16.304 7.546 5.483 1.00 4.40 O flip ATOM 679 NE2 GLN A2099 14.562 8.948 5.550 1.00 4.42 N flip ATOM 0 H GLN A2099 12.387 4.498 6.193 1.00 2.03 H new ATOM 0 HA GLN A2099 14.705 5.506 4.658 1.00 2.09 H new ATOM 0 HB2 GLN A2099 14.412 5.000 7.653 1.00 2.41 H new ATOM 0 HB3 GLN A2099 15.908 5.453 6.860 1.00 2.41 H new ATOM 0 HG2 GLN A2099 13.384 7.141 6.920 1.00 2.99 H new ATOM 0 HG3 GLN A2099 14.769 7.360 7.971 1.00 2.99 H new ATOM 0 HE21 GLN A2099 13.647 9.204 5.921 1.00 4.42 H new ATOM 0 HE22 GLN A2099 15.017 9.544 4.859 1.00 4.42 H new ATOM 688 N PHE A2100 14.156 2.705 4.589 1.00 1.40 N ATOM 689 CA PHE A2100 14.582 1.328 4.408 1.00 1.20 C ATOM 690 C PHE A2100 15.712 1.242 3.387 1.00 1.31 C ATOM 691 O PHE A2100 15.483 1.044 2.190 1.00 1.72 O ATOM 692 CB PHE A2100 13.417 0.430 3.990 1.00 1.32 C ATOM 693 CG PHE A2100 13.823 -1.005 3.799 1.00 1.46 C ATOM 694 CD1 PHE A2100 14.616 -1.643 4.739 1.00 1.93 C ATOM 695 CD2 PHE A2100 13.419 -1.713 2.681 1.00 2.04 C ATOM 696 CE1 PHE A2100 14.998 -2.956 4.566 1.00 2.23 C ATOM 697 CE2 PHE A2100 13.795 -3.030 2.506 1.00 2.36 C ATOM 698 CZ PHE A2100 14.586 -3.651 3.448 1.00 2.18 C ATOM 0 H PHE A2100 13.332 2.974 4.052 1.00 1.40 H new ATOM 0 HA PHE A2100 14.951 0.971 5.369 1.00 1.20 H new ATOM 0 HB2 PHE A2100 12.634 0.483 4.747 1.00 1.32 H new ATOM 0 HB3 PHE A2100 12.989 0.808 3.062 1.00 1.32 H new ATOM 0 HD1 PHE A2100 14.939 -1.105 5.618 1.00 1.93 H new ATOM 0 HD2 PHE A2100 12.803 -1.230 1.937 1.00 2.04 H new ATOM 0 HE1 PHE A2100 15.619 -3.440 5.305 1.00 2.23 H new ATOM 0 HE2 PHE A2100 13.469 -3.573 1.631 1.00 2.36 H new ATOM 0 HZ PHE A2100 14.883 -4.680 3.311 1.00 2.18 H new ATOM 708 N VAL A2101 16.931 1.403 3.865 1.00 1.55 N ATOM 709 CA VAL A2101 18.095 1.261 3.018 1.00 1.92 C ATOM 710 C VAL A2101 18.600 -0.172 3.075 1.00 2.31 C ATOM 711 O VAL A2101 19.111 -0.625 4.100 1.00 2.68 O ATOM 712 CB VAL A2101 19.227 2.226 3.426 1.00 2.35 C ATOM 713 CG1 VAL A2101 20.401 2.112 2.466 1.00 2.67 C ATOM 714 CG2 VAL A2101 18.714 3.659 3.483 1.00 2.45 C ATOM 0 H VAL A2101 17.139 1.632 4.837 1.00 1.55 H new ATOM 0 HA VAL A2101 17.795 1.512 2.000 1.00 1.92 H new ATOM 0 HB VAL A2101 19.573 1.947 4.421 1.00 2.35 H new ATOM 0 HG11 VAL A2101 21.189 2.801 2.771 1.00 2.67 H new ATOM 0 HG12 VAL A2101 20.785 1.092 2.480 1.00 2.67 H new ATOM 0 HG13 VAL A2101 20.072 2.361 1.457 1.00 2.67 H new ATOM 0 HG21 VAL A2101 19.527 4.325 3.773 1.00 2.45 H new ATOM 0 HG22 VAL A2101 18.338 3.950 2.502 1.00 2.45 H new ATOM 0 HG23 VAL A2101 17.910 3.729 4.215 1.00 2.45 H new ATOM 724 N GLY A2102 18.428 -0.886 1.979 1.00 2.55 N ATOM 725 CA GLY A2102 18.858 -2.264 1.912 1.00 3.15 C ATOM 726 C GLY A2102 18.361 -2.938 0.656 1.00 3.22 C ATOM 727 O GLY A2102 18.754 -2.560 -0.447 1.00 3.84 O ATOM 0 H GLY A2102 17.994 -0.533 1.126 1.00 2.55 H new ATOM 0 HA2 GLY A2102 19.947 -2.309 1.944 1.00 3.15 H new ATOM 0 HA3 GLY A2102 18.491 -2.804 2.785 1.00 3.15 H new ATOM 731 N LYS A2103 17.474 -3.907 0.810 1.00 2.91 N ATOM 732 CA LYS A2103 16.921 -4.616 -0.336 1.00 3.06 C ATOM 733 C LYS A2103 15.398 -4.464 -0.410 1.00 2.39 C ATOM 734 O LYS A2103 14.649 -5.378 -0.060 1.00 2.33 O ATOM 735 CB LYS A2103 17.323 -6.094 -0.290 1.00 3.80 C ATOM 736 CG LYS A2103 17.063 -6.769 1.050 1.00 4.59 C ATOM 737 CD LYS A2103 17.513 -8.220 1.049 1.00 5.33 C ATOM 738 CE LYS A2103 19.016 -8.350 0.857 1.00 6.21 C ATOM 739 NZ LYS A2103 19.782 -7.639 1.918 1.00 6.78 N ATOM 0 H LYS A2103 17.121 -4.221 1.714 1.00 2.91 H new ATOM 0 HA LYS A2103 17.335 -4.170 -1.240 1.00 3.06 H new ATOM 0 HB2 LYS A2103 16.779 -6.631 -1.067 1.00 3.80 H new ATOM 0 HB3 LYS A2103 18.384 -6.178 -0.527 1.00 3.80 H new ATOM 0 HG2 LYS A2103 17.587 -6.227 1.837 1.00 4.59 H new ATOM 0 HG3 LYS A2103 15.999 -6.719 1.282 1.00 4.59 H new ATOM 0 HD2 LYS A2103 17.226 -8.689 1.990 1.00 5.33 H new ATOM 0 HD3 LYS A2103 16.998 -8.759 0.254 1.00 5.33 H new ATOM 0 HE2 LYS A2103 19.291 -9.405 0.858 1.00 6.21 H new ATOM 0 HE3 LYS A2103 19.292 -7.949 -0.118 1.00 6.21 H new ATOM 0 HZ1 LYS A2103 20.776 -7.943 1.891 1.00 6.78 H new ATOM 0 HZ2 LYS A2103 19.729 -6.613 1.756 1.00 6.78 H new ATOM 0 HZ3 LYS A2103 19.376 -7.864 2.849 1.00 6.78 H new ATOM 753 N PRO A2104 14.920 -3.294 -0.868 1.00 2.06 N ATOM 754 CA PRO A2104 13.490 -3.020 -1.030 1.00 1.50 C ATOM 755 C PRO A2104 12.914 -3.736 -2.244 1.00 1.35 C ATOM 756 O PRO A2104 13.644 -4.097 -3.170 1.00 1.62 O ATOM 757 CB PRO A2104 13.431 -1.494 -1.231 1.00 1.62 C ATOM 758 CG PRO A2104 14.808 -0.999 -0.937 1.00 2.21 C ATOM 759 CD PRO A2104 15.722 -2.138 -1.264 1.00 2.43 C ATOM 0 HA PRO A2104 12.906 -3.368 -0.178 1.00 1.50 H new ATOM 0 HB2 PRO A2104 13.133 -1.244 -2.249 1.00 1.62 H new ATOM 0 HB3 PRO A2104 12.699 -1.038 -0.564 1.00 1.62 H new ATOM 0 HG2 PRO A2104 15.046 -0.121 -1.537 1.00 2.21 H new ATOM 0 HG3 PRO A2104 14.905 -0.706 0.108 1.00 2.21 H new ATOM 0 HD2 PRO A2104 15.980 -2.163 -2.323 1.00 2.43 H new ATOM 0 HD3 PRO A2104 16.659 -2.082 -0.709 1.00 2.43 H new ATOM 767 N ASP A2105 11.610 -3.944 -2.241 1.00 1.04 N ATOM 768 CA ASP A2105 10.947 -4.620 -3.345 1.00 0.98 C ATOM 769 C ASP A2105 9.903 -3.711 -3.974 1.00 0.79 C ATOM 770 O ASP A2105 8.952 -3.294 -3.306 1.00 0.78 O ATOM 771 CB ASP A2105 10.292 -5.920 -2.874 1.00 1.06 C ATOM 772 CG ASP A2105 9.615 -6.666 -4.006 1.00 1.66 C ATOM 773 OD1 ASP A2105 8.367 -6.715 -4.034 1.00 2.16 O ATOM 774 OD2 ASP A2105 10.329 -7.202 -4.884 1.00 2.33 O ATOM 0 H ASP A2105 10.987 -3.655 -1.487 1.00 1.04 H new ATOM 0 HA ASP A2105 11.701 -4.864 -4.093 1.00 0.98 H new ATOM 0 HB2 ASP A2105 11.048 -6.561 -2.420 1.00 1.06 H new ATOM 0 HB3 ASP A2105 9.558 -5.695 -2.100 1.00 1.06 H new ATOM 779 N PRO A2106 10.089 -3.366 -5.260 1.00 0.77 N ATOM 780 CA PRO A2106 9.136 -2.541 -6.008 1.00 0.73 C ATOM 781 C PRO A2106 7.732 -3.129 -5.977 1.00 0.61 C ATOM 782 O PRO A2106 7.535 -4.307 -6.283 1.00 0.74 O ATOM 783 CB PRO A2106 9.686 -2.554 -7.436 1.00 0.87 C ATOM 784 CG PRO A2106 11.136 -2.853 -7.285 1.00 1.03 C ATOM 785 CD PRO A2106 11.252 -3.745 -6.081 1.00 0.93 C ATOM 0 HA PRO A2106 9.045 -1.540 -5.587 1.00 0.73 H new ATOM 0 HB2 PRO A2106 9.188 -3.309 -8.044 1.00 0.87 H new ATOM 0 HB3 PRO A2106 9.530 -1.594 -7.928 1.00 0.87 H new ATOM 0 HG2 PRO A2106 11.527 -3.346 -8.175 1.00 1.03 H new ATOM 0 HG3 PRO A2106 11.711 -1.937 -7.149 1.00 1.03 H new ATOM 0 HD2 PRO A2106 11.222 -4.799 -6.358 1.00 0.93 H new ATOM 0 HD3 PRO A2106 12.189 -3.582 -5.549 1.00 0.93 H new ATOM 793 N VAL A2107 6.761 -2.310 -5.605 1.00 0.48 N ATOM 794 CA VAL A2107 5.397 -2.776 -5.457 1.00 0.37 C ATOM 795 C VAL A2107 4.422 -1.605 -5.575 1.00 0.35 C ATOM 796 O VAL A2107 4.814 -0.442 -5.451 1.00 0.60 O ATOM 797 CB VAL A2107 5.202 -3.495 -4.099 1.00 0.41 C ATOM 798 CG1 VAL A2107 5.063 -2.494 -2.973 1.00 0.54 C ATOM 799 CG2 VAL A2107 4.005 -4.426 -4.131 1.00 0.46 C ATOM 0 H VAL A2107 6.895 -1.320 -5.401 1.00 0.48 H new ATOM 0 HA VAL A2107 5.194 -3.490 -6.255 1.00 0.37 H new ATOM 0 HB VAL A2107 6.092 -4.098 -3.918 1.00 0.41 H new ATOM 0 HG11 VAL A2107 4.927 -3.024 -2.030 1.00 0.54 H new ATOM 0 HG12 VAL A2107 5.962 -1.881 -2.918 1.00 0.54 H new ATOM 0 HG13 VAL A2107 4.199 -1.856 -3.158 1.00 0.54 H new ATOM 0 HG21 VAL A2107 3.898 -4.914 -3.162 1.00 0.46 H new ATOM 0 HG22 VAL A2107 3.104 -3.853 -4.351 1.00 0.46 H new ATOM 0 HG23 VAL A2107 4.152 -5.181 -4.903 1.00 0.46 H new ATOM 809 N THR A2108 3.166 -1.912 -5.841 1.00 0.32 N ATOM 810 CA THR A2108 2.130 -0.902 -5.908 1.00 0.30 C ATOM 811 C THR A2108 0.847 -1.418 -5.266 1.00 0.30 C ATOM 812 O THR A2108 0.278 -2.421 -5.697 1.00 0.33 O ATOM 813 CB THR A2108 1.840 -0.475 -7.362 1.00 0.33 C ATOM 814 OG1 THR A2108 3.050 -0.030 -7.992 1.00 0.37 O ATOM 815 CG2 THR A2108 0.802 0.643 -7.407 1.00 0.35 C ATOM 0 H THR A2108 2.838 -2.862 -6.015 1.00 0.32 H new ATOM 0 HA THR A2108 2.491 -0.030 -5.362 1.00 0.30 H new ATOM 0 HB THR A2108 1.444 -1.339 -7.896 1.00 0.33 H new ATOM 0 HG1 THR A2108 2.859 0.238 -8.915 1.00 0.37 H new ATOM 0 HG21 THR A2108 0.616 0.925 -8.443 1.00 0.35 H new ATOM 0 HG22 THR A2108 -0.126 0.296 -6.953 1.00 0.35 H new ATOM 0 HG23 THR A2108 1.174 1.507 -6.857 1.00 0.35 H new ATOM 823 N VAL A2109 0.411 -0.735 -4.225 1.00 0.38 N ATOM 824 CA VAL A2109 -0.834 -1.076 -3.561 1.00 0.46 C ATOM 825 C VAL A2109 -1.953 -0.269 -4.208 1.00 0.52 C ATOM 826 O VAL A2109 -1.753 0.904 -4.505 1.00 0.61 O ATOM 827 CB VAL A2109 -0.764 -0.757 -2.051 1.00 0.60 C ATOM 828 CG1 VAL A2109 -1.879 -1.469 -1.301 1.00 0.76 C ATOM 829 CG2 VAL A2109 0.604 -1.123 -1.476 1.00 0.61 C ATOM 0 H VAL A2109 0.902 0.062 -3.819 1.00 0.38 H new ATOM 0 HA VAL A2109 -1.020 -2.145 -3.666 1.00 0.46 H new ATOM 0 HB VAL A2109 -0.901 0.317 -1.924 1.00 0.60 H new ATOM 0 HG11 VAL A2109 -1.813 -1.232 -0.239 1.00 0.76 H new ATOM 0 HG12 VAL A2109 -2.844 -1.141 -1.687 1.00 0.76 H new ATOM 0 HG13 VAL A2109 -1.780 -2.546 -1.439 1.00 0.76 H new ATOM 0 HG21 VAL A2109 0.626 -0.888 -0.412 1.00 0.61 H new ATOM 0 HG22 VAL A2109 0.784 -2.189 -1.616 1.00 0.61 H new ATOM 0 HG23 VAL A2109 1.379 -0.553 -1.989 1.00 0.61 H new ATOM 839 N LYS A2110 -3.111 -0.881 -4.451 1.00 0.53 N ATOM 840 CA LYS A2110 -4.162 -0.205 -5.206 1.00 0.63 C ATOM 841 C LYS A2110 -5.547 -0.585 -4.697 1.00 0.70 C ATOM 842 O LYS A2110 -6.034 -1.687 -4.936 1.00 0.99 O ATOM 843 CB LYS A2110 -4.030 -0.554 -6.701 1.00 0.67 C ATOM 844 CG LYS A2110 -4.783 0.378 -7.656 1.00 0.85 C ATOM 845 CD LYS A2110 -6.300 0.233 -7.569 1.00 1.03 C ATOM 846 CE LYS A2110 -6.769 -1.152 -7.995 1.00 1.11 C ATOM 847 NZ LYS A2110 -6.432 -1.451 -9.412 1.00 1.63 N ATOM 0 H LYS A2110 -3.342 -1.825 -4.143 1.00 0.53 H new ATOM 0 HA LYS A2110 -4.044 0.870 -5.070 1.00 0.63 H new ATOM 0 HB2 LYS A2110 -2.973 -0.545 -6.968 1.00 0.67 H new ATOM 0 HB3 LYS A2110 -4.389 -1.572 -6.853 1.00 0.67 H new ATOM 0 HG2 LYS A2110 -4.510 1.410 -7.436 1.00 0.85 H new ATOM 0 HG3 LYS A2110 -4.463 0.175 -8.678 1.00 0.85 H new ATOM 0 HD2 LYS A2110 -6.624 0.426 -6.546 1.00 1.03 H new ATOM 0 HD3 LYS A2110 -6.772 0.985 -8.201 1.00 1.03 H new ATOM 0 HE2 LYS A2110 -6.313 -1.902 -7.349 1.00 1.11 H new ATOM 0 HE3 LYS A2110 -7.848 -1.226 -7.857 1.00 1.11 H new ATOM 0 HZ1 LYS A2110 -6.927 -2.315 -9.712 1.00 1.63 H new ATOM 0 HZ2 LYS A2110 -6.727 -0.656 -10.014 1.00 1.63 H new ATOM 0 HZ3 LYS A2110 -5.405 -1.591 -9.503 1.00 1.63 H new ATOM 861 N ARG A2111 -6.197 0.348 -4.035 1.00 0.52 N ATOM 862 CA ARG A2111 -7.563 0.150 -3.598 1.00 0.54 C ATOM 863 C ARG A2111 -8.345 1.436 -3.804 1.00 0.44 C ATOM 864 O ARG A2111 -7.806 2.525 -3.629 1.00 0.47 O ATOM 865 CB ARG A2111 -7.605 -0.287 -2.135 1.00 0.62 C ATOM 866 CG ARG A2111 -7.144 0.769 -1.152 1.00 0.62 C ATOM 867 CD ARG A2111 -8.080 0.806 0.033 1.00 0.87 C ATOM 868 NE ARG A2111 -9.466 0.885 -0.419 1.00 1.86 N ATOM 869 CZ ARG A2111 -10.469 0.185 0.102 1.00 2.47 C ATOM 870 NH1 ARG A2111 -10.270 -0.592 1.159 1.00 2.41 N ATOM 871 NH2 ARG A2111 -11.675 0.290 -0.420 1.00 3.47 N ATOM 0 H ARG A2111 -5.800 1.254 -3.787 1.00 0.52 H new ATOM 0 HA ARG A2111 -8.019 -0.643 -4.190 1.00 0.54 H new ATOM 0 HB2 ARG A2111 -8.625 -0.578 -1.885 1.00 0.62 H new ATOM 0 HB3 ARG A2111 -6.982 -1.174 -2.015 1.00 0.62 H new ATOM 0 HG2 ARG A2111 -6.129 0.551 -0.819 1.00 0.62 H new ATOM 0 HG3 ARG A2111 -7.118 1.745 -1.637 1.00 0.62 H new ATOM 0 HD2 ARG A2111 -7.940 -0.086 0.644 1.00 0.87 H new ATOM 0 HD3 ARG A2111 -7.846 1.664 0.663 1.00 0.87 H new ATOM 0 HE ARG A2111 -9.679 1.521 -1.187 1.00 1.86 H new ATOM 0 HH11 ARG A2111 -9.342 -0.655 1.578 1.00 2.41 H new ATOM 0 HH12 ARG A2111 -11.045 -1.126 1.553 1.00 2.41 H new ATOM 0 HH21 ARG A2111 -11.833 0.905 -1.218 1.00 3.47 H new ATOM 0 HH22 ARG A2111 -12.450 -0.244 -0.026 1.00 3.47 H new ATOM 885 N VAL A2112 -9.604 1.320 -4.194 1.00 0.35 N ATOM 886 CA VAL A2112 -10.394 2.506 -4.501 1.00 0.28 C ATOM 887 C VAL A2112 -11.301 2.889 -3.338 1.00 0.25 C ATOM 888 O VAL A2112 -11.553 2.084 -2.439 1.00 0.29 O ATOM 889 CB VAL A2112 -11.237 2.331 -5.783 1.00 0.31 C ATOM 890 CG1 VAL A2112 -10.342 2.001 -6.966 1.00 0.40 C ATOM 891 CG2 VAL A2112 -12.307 1.265 -5.605 1.00 0.32 C ATOM 0 H VAL A2112 -10.096 0.434 -4.305 1.00 0.35 H new ATOM 0 HA VAL A2112 -9.680 3.311 -4.672 1.00 0.28 H new ATOM 0 HB VAL A2112 -11.743 3.276 -5.981 1.00 0.31 H new ATOM 0 HG11 VAL A2112 -10.952 1.881 -7.861 1.00 0.40 H new ATOM 0 HG12 VAL A2112 -9.628 2.810 -7.119 1.00 0.40 H new ATOM 0 HG13 VAL A2112 -9.803 1.075 -6.767 1.00 0.40 H new ATOM 0 HG21 VAL A2112 -12.881 1.168 -6.526 1.00 0.32 H new ATOM 0 HG22 VAL A2112 -11.835 0.311 -5.370 1.00 0.32 H new ATOM 0 HG23 VAL A2112 -12.973 1.550 -4.791 1.00 0.32 H new ATOM 901 N ASP A2113 -11.754 4.134 -3.352 1.00 0.26 N ATOM 902 CA ASP A2113 -12.645 4.654 -2.323 1.00 0.31 C ATOM 903 C ASP A2113 -14.046 4.888 -2.880 1.00 0.33 C ATOM 904 O ASP A2113 -14.347 4.465 -3.998 1.00 0.34 O ATOM 905 CB ASP A2113 -12.089 5.954 -1.724 1.00 0.40 C ATOM 906 CG ASP A2113 -11.753 7.003 -2.772 1.00 0.55 C ATOM 907 OD1 ASP A2113 -12.608 7.295 -3.637 1.00 0.85 O ATOM 908 OD2 ASP A2113 -10.634 7.545 -2.729 1.00 1.46 O ATOM 0 H ASP A2113 -11.515 4.812 -4.076 1.00 0.26 H new ATOM 0 HA ASP A2113 -12.709 3.907 -1.532 1.00 0.31 H new ATOM 0 HB2 ASP A2113 -12.819 6.367 -1.028 1.00 0.40 H new ATOM 0 HB3 ASP A2113 -11.192 5.726 -1.148 1.00 0.40 H new ATOM 913 N LYS A2114 -14.895 5.566 -2.112 1.00 0.40 N ATOM 914 CA LYS A2114 -16.277 5.814 -2.527 1.00 0.46 C ATOM 915 C LYS A2114 -16.349 6.680 -3.785 1.00 0.52 C ATOM 916 O LYS A2114 -17.318 6.610 -4.538 1.00 0.65 O ATOM 917 CB LYS A2114 -17.070 6.473 -1.397 1.00 0.55 C ATOM 918 CG LYS A2114 -17.346 5.540 -0.233 1.00 0.58 C ATOM 919 CD LYS A2114 -18.224 6.196 0.818 1.00 0.69 C ATOM 920 CE LYS A2114 -18.665 5.195 1.875 1.00 0.83 C ATOM 921 NZ LYS A2114 -19.494 4.101 1.297 1.00 1.72 N ATOM 0 H LYS A2114 -14.653 5.954 -1.200 1.00 0.40 H new ATOM 0 HA LYS A2114 -16.720 4.846 -2.760 1.00 0.46 H new ATOM 0 HB2 LYS A2114 -16.520 7.341 -1.035 1.00 0.55 H new ATOM 0 HB3 LYS A2114 -18.017 6.839 -1.793 1.00 0.55 H new ATOM 0 HG2 LYS A2114 -17.831 4.635 -0.599 1.00 0.58 H new ATOM 0 HG3 LYS A2114 -16.403 5.235 0.220 1.00 0.58 H new ATOM 0 HD2 LYS A2114 -17.679 7.012 1.292 1.00 0.69 H new ATOM 0 HD3 LYS A2114 -19.101 6.634 0.341 1.00 0.69 H new ATOM 0 HE2 LYS A2114 -17.786 4.767 2.358 1.00 0.83 H new ATOM 0 HE3 LYS A2114 -19.234 5.711 2.648 1.00 0.83 H new ATOM 0 HZ1 LYS A2114 -20.019 3.624 2.058 1.00 1.72 H new ATOM 0 HZ2 LYS A2114 -20.165 4.500 0.610 1.00 1.72 H new ATOM 0 HZ3 LYS A2114 -18.877 3.414 0.819 1.00 1.72 H new ATOM 935 N ASN A2115 -15.318 7.481 -4.019 1.00 0.52 N ATOM 936 CA ASN A2115 -15.273 8.345 -5.194 1.00 0.60 C ATOM 937 C ASN A2115 -14.715 7.583 -6.387 1.00 0.54 C ATOM 938 O ASN A2115 -14.759 8.061 -7.520 1.00 0.70 O ATOM 939 CB ASN A2115 -14.410 9.586 -4.934 1.00 0.72 C ATOM 940 CG ASN A2115 -15.117 10.671 -4.143 1.00 0.99 C ATOM 941 OD1 ASN A2115 -16.021 10.285 -3.260 1.00 1.84 O flip ATOM 942 ND2 ASN A2115 -14.836 11.857 -4.317 1.00 1.11 N flip ATOM 0 H ASN A2115 -14.501 7.551 -3.412 1.00 0.52 H new ATOM 0 HA ASN A2115 -16.292 8.667 -5.410 1.00 0.60 H new ATOM 0 HB2 ASN A2115 -13.511 9.285 -4.396 1.00 0.72 H new ATOM 0 HB3 ASN A2115 -14.087 9.999 -5.890 1.00 0.72 H new ATOM 0 HD21 ASN A2115 -14.133 12.118 -5.008 1.00 1.11 H new ATOM 0 HD22 ASN A2115 -15.307 12.578 -3.770 1.00 1.11 H new ATOM 949 N GLY A2116 -14.192 6.395 -6.119 1.00 0.38 N ATOM 950 CA GLY A2116 -13.565 5.603 -7.157 1.00 0.39 C ATOM 951 C GLY A2116 -12.108 5.976 -7.330 1.00 0.38 C ATOM 952 O GLY A2116 -11.483 5.643 -8.339 1.00 0.44 O ATOM 0 H GLY A2116 -14.191 5.963 -5.195 1.00 0.38 H new ATOM 0 HA2 GLY A2116 -13.644 4.545 -6.908 1.00 0.39 H new ATOM 0 HA3 GLY A2116 -14.094 5.749 -8.099 1.00 0.39 H new ATOM 956 N THR A2117 -11.572 6.676 -6.340 1.00 0.36 N ATOM 957 CA THR A2117 -10.187 7.107 -6.367 1.00 0.38 C ATOM 958 C THR A2117 -9.285 5.994 -5.842 1.00 0.33 C ATOM 959 O THR A2117 -9.571 5.405 -4.801 1.00 0.33 O ATOM 960 CB THR A2117 -9.992 8.360 -5.496 1.00 0.44 C ATOM 961 OG1 THR A2117 -11.219 9.100 -5.429 1.00 0.57 O ATOM 962 CG2 THR A2117 -8.891 9.248 -6.055 1.00 0.54 C ATOM 0 H THR A2117 -12.083 6.958 -5.503 1.00 0.36 H new ATOM 0 HA THR A2117 -9.924 7.342 -7.398 1.00 0.38 H new ATOM 0 HB THR A2117 -9.701 8.038 -4.496 1.00 0.44 H new ATOM 0 HG1 THR A2117 -11.091 9.896 -4.872 1.00 0.57 H new ATOM 0 HG21 THR A2117 -8.774 10.126 -5.420 1.00 0.54 H new ATOM 0 HG22 THR A2117 -7.954 8.692 -6.082 1.00 0.54 H new ATOM 0 HG23 THR A2117 -9.155 9.563 -7.065 1.00 0.54 H new ATOM 970 N PRO A2118 -8.204 5.662 -6.558 1.00 0.38 N ATOM 971 CA PRO A2118 -7.276 4.638 -6.125 1.00 0.40 C ATOM 972 C PRO A2118 -6.180 5.191 -5.220 1.00 0.35 C ATOM 973 O PRO A2118 -5.253 5.854 -5.689 1.00 0.39 O ATOM 974 CB PRO A2118 -6.675 4.119 -7.438 1.00 0.53 C ATOM 975 CG PRO A2118 -7.013 5.130 -8.494 1.00 0.61 C ATOM 976 CD PRO A2118 -7.797 6.240 -7.842 1.00 0.51 C ATOM 0 HA PRO A2118 -7.771 3.867 -5.534 1.00 0.40 H new ATOM 0 HB2 PRO A2118 -5.595 3.998 -7.349 1.00 0.53 H new ATOM 0 HB3 PRO A2118 -7.085 3.142 -7.692 1.00 0.53 H new ATOM 0 HG2 PRO A2118 -6.104 5.522 -8.951 1.00 0.61 H new ATOM 0 HG3 PRO A2118 -7.596 4.668 -9.291 1.00 0.61 H new ATOM 0 HD2 PRO A2118 -7.189 7.134 -7.705 1.00 0.51 H new ATOM 0 HD3 PRO A2118 -8.659 6.530 -8.443 1.00 0.51 H new ATOM 984 N VAL A2119 -6.299 4.939 -3.923 1.00 0.33 N ATOM 985 CA VAL A2119 -5.227 5.262 -2.995 1.00 0.33 C ATOM 986 C VAL A2119 -4.118 4.233 -3.154 1.00 0.36 C ATOM 987 O VAL A2119 -4.279 3.052 -2.834 1.00 0.39 O ATOM 988 CB VAL A2119 -5.719 5.346 -1.529 1.00 0.39 C ATOM 989 CG1 VAL A2119 -6.580 6.585 -1.337 1.00 0.52 C ATOM 990 CG2 VAL A2119 -6.499 4.107 -1.126 1.00 0.60 C ATOM 0 H VAL A2119 -7.121 4.515 -3.493 1.00 0.33 H new ATOM 0 HA VAL A2119 -4.844 6.254 -3.235 1.00 0.33 H new ATOM 0 HB VAL A2119 -4.839 5.410 -0.888 1.00 0.39 H new ATOM 0 HG11 VAL A2119 -6.921 6.635 -0.303 1.00 0.52 H new ATOM 0 HG12 VAL A2119 -5.994 7.475 -1.569 1.00 0.52 H new ATOM 0 HG13 VAL A2119 -7.443 6.535 -2.001 1.00 0.52 H new ATOM 0 HG21 VAL A2119 -6.827 4.204 -0.091 1.00 0.60 H new ATOM 0 HG22 VAL A2119 -7.369 3.998 -1.774 1.00 0.60 H new ATOM 0 HG23 VAL A2119 -5.862 3.228 -1.224 1.00 0.60 H new ATOM 1000 N THR A2120 -3.014 4.683 -3.719 1.00 0.39 N ATOM 1001 CA THR A2120 -1.950 3.792 -4.123 1.00 0.44 C ATOM 1002 C THR A2120 -0.626 4.185 -3.496 1.00 0.53 C ATOM 1003 O THR A2120 -0.493 5.259 -2.908 1.00 0.67 O ATOM 1004 CB THR A2120 -1.794 3.797 -5.657 1.00 0.52 C ATOM 1005 OG1 THR A2120 -1.658 5.143 -6.130 1.00 0.61 O ATOM 1006 CG2 THR A2120 -2.988 3.145 -6.332 1.00 0.55 C ATOM 0 H THR A2120 -2.833 5.669 -3.909 1.00 0.39 H new ATOM 0 HA THR A2120 -2.220 2.793 -3.780 1.00 0.44 H new ATOM 0 HB THR A2120 -0.900 3.225 -5.906 1.00 0.52 H new ATOM 0 HG1 THR A2120 -1.558 5.139 -7.105 1.00 0.61 H new ATOM 0 HG21 THR A2120 -2.850 3.163 -7.413 1.00 0.55 H new ATOM 0 HG22 THR A2120 -3.077 2.112 -5.995 1.00 0.55 H new ATOM 0 HG23 THR A2120 -3.895 3.691 -6.073 1.00 0.55 H new ATOM 1014 N ALA A2121 0.350 3.306 -3.630 1.00 0.53 N ATOM 1015 CA ALA A2121 1.702 3.597 -3.201 1.00 0.65 C ATOM 1016 C ALA A2121 2.685 3.143 -4.269 1.00 0.73 C ATOM 1017 O ALA A2121 2.633 1.996 -4.718 1.00 0.69 O ATOM 1018 CB ALA A2121 1.999 2.916 -1.872 1.00 0.70 C ATOM 0 H ALA A2121 0.228 2.378 -4.036 1.00 0.53 H new ATOM 0 HA ALA A2121 1.807 4.673 -3.058 1.00 0.65 H new ATOM 0 HB1 ALA A2121 3.019 3.146 -1.565 1.00 0.70 H new ATOM 0 HB2 ALA A2121 1.303 3.276 -1.115 1.00 0.70 H new ATOM 0 HB3 ALA A2121 1.888 1.837 -1.983 1.00 0.70 H new ATOM 1024 N THR A2122 3.563 4.044 -4.677 1.00 0.98 N ATOM 1025 CA THR A2122 4.593 3.730 -5.653 1.00 1.15 C ATOM 1026 C THR A2122 5.879 3.347 -4.942 1.00 0.99 C ATOM 1027 O THR A2122 6.627 4.212 -4.479 1.00 1.22 O ATOM 1028 CB THR A2122 4.859 4.929 -6.580 1.00 1.63 C ATOM 1029 OG1 THR A2122 4.964 6.128 -5.802 1.00 2.19 O ATOM 1030 CG2 THR A2122 3.749 5.081 -7.608 1.00 2.08 C ATOM 0 H THR A2122 3.582 5.008 -4.344 1.00 0.98 H new ATOM 0 HA THR A2122 4.243 2.894 -6.258 1.00 1.15 H new ATOM 0 HB THR A2122 5.795 4.751 -7.109 1.00 1.63 H new ATOM 0 HG1 THR A2122 5.575 5.978 -5.051 1.00 2.19 H new ATOM 0 HG21 THR A2122 3.962 5.936 -8.250 1.00 2.08 H new ATOM 0 HG22 THR A2122 3.689 4.177 -8.215 1.00 2.08 H new ATOM 0 HG23 THR A2122 2.799 5.239 -7.097 1.00 2.08 H new ATOM 1038 N TYR A2123 6.132 2.058 -4.836 1.00 0.85 N ATOM 1039 CA TYR A2123 7.273 1.588 -4.081 1.00 0.77 C ATOM 1040 C TYR A2123 8.405 1.147 -4.988 1.00 0.94 C ATOM 1041 O TYR A2123 8.231 0.302 -5.862 1.00 1.20 O ATOM 1042 CB TYR A2123 6.870 0.456 -3.146 1.00 0.83 C ATOM 1043 CG TYR A2123 7.120 0.792 -1.703 1.00 1.21 C ATOM 1044 CD1 TYR A2123 8.410 0.830 -1.196 1.00 1.93 C ATOM 1045 CD2 TYR A2123 6.068 1.089 -0.852 1.00 1.82 C ATOM 1046 CE1 TYR A2123 8.646 1.155 0.124 1.00 2.36 C ATOM 1047 CE2 TYR A2123 6.291 1.413 0.468 1.00 2.26 C ATOM 1048 CZ TYR A2123 7.586 1.445 0.954 1.00 2.25 C ATOM 1049 OH TYR A2123 7.824 1.770 2.270 1.00 2.81 O ATOM 0 H TYR A2123 5.567 1.323 -5.260 1.00 0.85 H new ATOM 0 HA TYR A2123 7.635 2.425 -3.484 1.00 0.77 H new ATOM 0 HB2 TYR A2123 5.813 0.231 -3.286 1.00 0.83 H new ATOM 0 HB3 TYR A2123 7.425 -0.444 -3.409 1.00 0.83 H new ATOM 0 HD1 TYR A2123 9.243 0.602 -1.844 1.00 1.93 H new ATOM 0 HD2 TYR A2123 5.056 1.066 -1.230 1.00 1.82 H new ATOM 0 HE1 TYR A2123 9.656 1.182 0.504 1.00 2.36 H new ATOM 0 HE2 TYR A2123 5.460 1.641 1.120 1.00 2.26 H new ATOM 0 HH TYR A2123 8.610 2.353 2.326 1.00 2.81 H new ATOM 1059 N SER A2124 9.561 1.748 -4.775 1.00 1.07 N ATOM 1060 CA SER A2124 10.776 1.387 -5.481 1.00 1.29 C ATOM 1061 C SER A2124 11.970 1.760 -4.610 1.00 1.24 C ATOM 1062 O SER A2124 11.842 2.654 -3.774 1.00 1.31 O ATOM 1063 CB SER A2124 10.857 2.110 -6.832 1.00 1.66 C ATOM 1064 OG SER A2124 9.705 1.859 -7.623 1.00 2.06 O ATOM 0 H SER A2124 9.684 2.505 -4.103 1.00 1.07 H new ATOM 0 HA SER A2124 10.777 0.315 -5.678 1.00 1.29 H new ATOM 0 HB2 SER A2124 10.960 3.182 -6.667 1.00 1.66 H new ATOM 0 HB3 SER A2124 11.747 1.783 -7.369 1.00 1.66 H new ATOM 0 HG SER A2124 9.784 2.334 -8.477 1.00 2.06 H new ATOM 1070 N PRO A2125 13.119 1.077 -4.750 1.00 1.46 N ATOM 1071 CA PRO A2125 14.314 1.349 -3.934 1.00 1.71 C ATOM 1072 C PRO A2125 14.617 2.843 -3.754 1.00 1.73 C ATOM 1073 O PRO A2125 14.993 3.282 -2.663 1.00 2.16 O ATOM 1074 CB PRO A2125 15.426 0.671 -4.729 1.00 2.09 C ATOM 1075 CG PRO A2125 14.756 -0.484 -5.393 1.00 2.09 C ATOM 1076 CD PRO A2125 13.345 -0.038 -5.693 1.00 1.75 C ATOM 0 HA PRO A2125 14.192 0.983 -2.915 1.00 1.71 H new ATOM 0 HB2 PRO A2125 15.863 1.351 -5.460 1.00 2.09 H new ATOM 0 HB3 PRO A2125 16.235 0.340 -4.078 1.00 2.09 H new ATOM 0 HG2 PRO A2125 15.279 -0.764 -6.308 1.00 2.09 H new ATOM 0 HG3 PRO A2125 14.758 -1.360 -4.745 1.00 2.09 H new ATOM 0 HD2 PRO A2125 13.240 0.286 -6.728 1.00 1.75 H new ATOM 0 HD3 PRO A2125 12.629 -0.845 -5.537 1.00 1.75 H new ATOM 1084 N GLU A2126 14.416 3.620 -4.814 1.00 1.86 N ATOM 1085 CA GLU A2126 14.711 5.054 -4.805 1.00 2.08 C ATOM 1086 C GLU A2126 13.826 5.837 -3.822 1.00 1.98 C ATOM 1087 O GLU A2126 14.093 7.007 -3.543 1.00 2.37 O ATOM 1088 CB GLU A2126 14.550 5.627 -6.215 1.00 2.47 C ATOM 1089 CG GLU A2126 13.177 5.385 -6.822 1.00 3.11 C ATOM 1090 CD GLU A2126 13.062 5.925 -8.231 1.00 3.80 C ATOM 1091 OE1 GLU A2126 13.752 5.405 -9.132 1.00 4.26 O ATOM 1092 OE2 GLU A2126 12.273 6.867 -8.451 1.00 4.33 O ATOM 0 H GLU A2126 14.046 3.278 -5.701 1.00 1.86 H new ATOM 0 HA GLU A2126 15.742 5.166 -4.469 1.00 2.08 H new ATOM 0 HB2 GLU A2126 14.740 6.700 -6.185 1.00 2.47 H new ATOM 0 HB3 GLU A2126 15.307 5.187 -6.865 1.00 2.47 H new ATOM 0 HG2 GLU A2126 12.970 4.315 -6.829 1.00 3.11 H new ATOM 0 HG3 GLU A2126 12.418 5.853 -6.194 1.00 3.11 H new ATOM 1099 N PHE A2127 12.780 5.199 -3.305 1.00 2.04 N ATOM 1100 CA PHE A2127 11.868 5.855 -2.369 1.00 2.23 C ATOM 1101 C PHE A2127 12.260 5.577 -0.923 1.00 2.57 C ATOM 1102 O PHE A2127 11.659 6.116 0.006 1.00 3.09 O ATOM 1103 CB PHE A2127 10.425 5.400 -2.605 1.00 2.24 C ATOM 1104 CG PHE A2127 9.822 5.926 -3.875 1.00 2.48 C ATOM 1105 CD1 PHE A2127 9.189 7.159 -3.895 1.00 2.99 C ATOM 1106 CD2 PHE A2127 9.881 5.190 -5.045 1.00 2.99 C ATOM 1107 CE1 PHE A2127 8.629 7.646 -5.059 1.00 3.64 C ATOM 1108 CE2 PHE A2127 9.322 5.672 -6.213 1.00 3.62 C ATOM 1109 CZ PHE A2127 8.695 6.903 -6.219 1.00 3.83 C ATOM 0 H PHE A2127 12.542 4.230 -3.517 1.00 2.04 H new ATOM 0 HA PHE A2127 11.939 6.928 -2.548 1.00 2.23 H new ATOM 0 HB2 PHE A2127 10.396 4.311 -2.625 1.00 2.24 H new ATOM 0 HB3 PHE A2127 9.811 5.720 -1.763 1.00 2.24 H new ATOM 0 HD1 PHE A2127 9.133 7.745 -2.990 1.00 2.99 H new ATOM 0 HD2 PHE A2127 10.370 4.227 -5.045 1.00 2.99 H new ATOM 0 HE1 PHE A2127 8.139 8.609 -5.061 1.00 3.64 H new ATOM 0 HE2 PHE A2127 9.375 5.087 -7.120 1.00 3.62 H new ATOM 0 HZ PHE A2127 8.257 7.283 -7.130 1.00 3.83 H new ATOM 1119 N THR A2128 13.255 4.728 -0.730 1.00 2.82 N ATOM 1120 CA THR A2128 13.714 4.401 0.609 1.00 3.38 C ATOM 1121 C THR A2128 15.199 4.699 0.763 1.00 2.89 C ATOM 1122 O THR A2128 15.644 5.203 1.795 1.00 3.03 O ATOM 1123 CB THR A2128 13.444 2.926 0.947 1.00 4.34 C ATOM 1124 OG1 THR A2128 13.966 2.079 -0.085 1.00 4.91 O ATOM 1125 CG2 THR A2128 11.955 2.664 1.119 1.00 5.11 C ATOM 0 H THR A2128 13.759 4.254 -1.480 1.00 2.82 H new ATOM 0 HA THR A2128 13.153 5.025 1.305 1.00 3.38 H new ATOM 0 HB THR A2128 13.944 2.702 1.889 1.00 4.34 H new ATOM 0 HG1 THR A2128 14.639 1.477 0.295 1.00 4.91 H new ATOM 0 HG21 THR A2128 11.796 1.612 1.357 1.00 5.11 H new ATOM 0 HG22 THR A2128 11.568 3.282 1.929 1.00 5.11 H new ATOM 0 HG23 THR A2128 11.433 2.909 0.194 1.00 5.11 H new ATOM 1133 N LYS A2129 15.959 4.389 -0.276 1.00 2.90 N ATOM 1134 CA LYS A2129 17.386 4.659 -0.294 1.00 2.79 C ATOM 1135 C LYS A2129 17.757 5.458 -1.543 1.00 3.43 C ATOM 1136 O LYS A2129 16.879 6.015 -2.206 1.00 3.99 O ATOM 1137 CB LYS A2129 18.179 3.346 -0.226 1.00 3.05 C ATOM 1138 CG LYS A2129 17.811 2.328 -1.287 1.00 3.76 C ATOM 1139 CD LYS A2129 18.743 1.130 -1.235 1.00 4.33 C ATOM 1140 CE LYS A2129 18.564 0.237 -2.446 1.00 4.72 C ATOM 1141 NZ LYS A2129 19.523 -0.900 -2.450 1.00 5.22 N ATOM 0 H LYS A2129 15.606 3.946 -1.124 1.00 2.90 H new ATOM 0 HA LYS A2129 17.643 5.256 0.581 1.00 2.79 H new ATOM 0 HB2 LYS A2129 19.241 3.574 -0.314 1.00 3.05 H new ATOM 0 HB3 LYS A2129 18.029 2.897 0.756 1.00 3.05 H new ATOM 0 HG2 LYS A2129 16.782 2.000 -1.140 1.00 3.76 H new ATOM 0 HG3 LYS A2129 17.861 2.790 -2.273 1.00 3.76 H new ATOM 0 HD2 LYS A2129 19.776 1.473 -1.184 1.00 4.33 H new ATOM 0 HD3 LYS A2129 18.552 0.557 -0.327 1.00 4.33 H new ATOM 0 HE2 LYS A2129 17.545 -0.149 -2.464 1.00 4.72 H new ATOM 0 HE3 LYS A2129 18.697 0.826 -3.353 1.00 4.72 H new ATOM 0 HZ1 LYS A2129 19.483 -1.385 -3.369 1.00 5.22 H new ATOM 0 HZ2 LYS A2129 20.486 -0.542 -2.289 1.00 5.22 H new ATOM 0 HZ3 LYS A2129 19.271 -1.569 -1.695 1.00 5.22 H new ATOM 1155 N VAL A2130 19.054 5.513 -1.843 1.00 3.76 N ATOM 1156 CA VAL A2130 19.574 6.264 -2.980 1.00 4.65 C ATOM 1157 C VAL A2130 19.366 7.762 -2.762 1.00 5.15 C ATOM 1158 O VAL A2130 20.155 8.357 -1.999 1.00 5.63 O ATOM 1159 CB VAL A2130 18.935 5.823 -4.320 1.00 5.31 C ATOM 1160 CG1 VAL A2130 19.573 6.551 -5.495 1.00 5.79 C ATOM 1161 CG2 VAL A2130 19.056 4.319 -4.510 1.00 5.88 C ATOM 1162 OXT VAL A2130 18.419 8.338 -3.339 1.00 5.44 O ATOM 0 H VAL A2130 19.774 5.036 -1.301 1.00 3.76 H new ATOM 0 HA VAL A2130 20.641 6.051 -3.047 1.00 4.65 H new ATOM 0 HB VAL A2130 17.878 6.085 -4.283 1.00 5.31 H new ATOM 0 HG11 VAL A2130 19.106 6.223 -6.423 1.00 5.79 H new ATOM 0 HG12 VAL A2130 19.431 7.625 -5.378 1.00 5.79 H new ATOM 0 HG13 VAL A2130 20.639 6.327 -5.526 1.00 5.79 H new ATOM 0 HG21 VAL A2130 18.600 4.034 -5.458 1.00 5.88 H new ATOM 0 HG22 VAL A2130 20.109 4.036 -4.514 1.00 5.88 H new ATOM 0 HG23 VAL A2130 18.546 3.807 -3.694 1.00 5.88 H new TER 1172 VAL A2130