USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 580 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A2085 THR OG1 : rot 180:sc= 1.03 USER MOD Set 1.2: A2093 THR OG1 : rot 110:sc= 1.25 USER MOD Set 2.1: A2081 GLN : amide:sc= 1.68 K(o=4.1,f=-5.5!) USER MOD Set 2.2: A2084 TYR OH : rot 124:sc= 2.42 USER MOD Set 3.1: A2077 THR OG1 : rot 78:sc= 0.593 USER MOD Set 3.2: A2083 THR OG1 : rot 180:sc= -0.426 USER MOD Single : A2053 GLN :FLIP amide:sc= -0.0458 F(o=-1.3!,f=-0.046) USER MOD Single : A2064 THR OG1 : rot -2:sc= 1.18 USER MOD Single : A2068 THR OG1 : rot 160:sc= 0.00194 USER MOD Single : A2073 SER OG : rot 180:sc= -1.81! USER MOD Single : A2074 LYS NZ :NH3+ -165:sc= 0.725 (180deg=0.447) USER MOD Single : A2076 LYS NZ :NH3+ -119:sc=-0.00159 (180deg=-0.0992) USER MOD Single : A2091 THR OG1 : rot 180:sc= 0 USER MOD Single : A2095 THR OG1 : rot 180:sc= 0 USER MOD Single : A2098 LYS NZ :NH3+ 173:sc= -0.599 (180deg=-0.84) USER MOD Single : A2099 GLN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : A2103 LYS NZ :NH3+ -167:sc= -0.0317 (180deg=-0.225) USER MOD Single : A2108 THR OG1 : rot 180:sc= 0 USER MOD Single : A2110 LYS NZ :NH3+ -157:sc= 0.343 (180deg=-0.927!) USER MOD Single : A2114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2115 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A2117 THR OG1 : rot 180:sc= 0 USER MOD Single : A2120 THR OG1 : rot 180:sc= 0 USER MOD Single : A2122 THR OG1 : rot 180:sc= 0 USER MOD Single : A2123 TYR OH : rot 100:sc= -0.217 USER MOD Single : A2124 SER OG : rot 180:sc= -0.186 USER MOD Single : A2128 THR OG1 : rot 180:sc= 0.155 USER MOD Single : A2129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A2053 -4.508 10.527 -1.037 1.00 4.90 N ATOM 2 CA GLN A2053 -3.611 9.366 -1.235 1.00 4.58 C ATOM 3 C GLN A2053 -3.426 8.618 0.077 1.00 3.90 C ATOM 4 O GLN A2053 -3.615 9.187 1.150 1.00 4.20 O ATOM 5 CB GLN A2053 -2.242 9.809 -1.770 1.00 5.04 C ATOM 6 CG GLN A2053 -1.439 10.663 -0.795 1.00 5.47 C ATOM 7 CD GLN A2053 -0.022 10.943 -1.273 1.00 6.21 C ATOM 8 OE1 GLN A2053 0.550 10.021 -2.032 1.00 6.51 O flip ATOM 9 NE2 GLN A2053 0.559 11.980 -0.956 1.00 6.85 N flip ATOM 0 HA GLN A2053 -4.073 8.707 -1.970 1.00 4.58 H new ATOM 0 HB2 GLN A2053 -1.660 8.924 -2.025 1.00 5.04 H new ATOM 0 HB3 GLN A2053 -2.389 10.371 -2.692 1.00 5.04 H new ATOM 0 HG2 GLN A2053 -1.957 11.609 -0.639 1.00 5.47 H new ATOM 0 HG3 GLN A2053 -1.397 10.159 0.171 1.00 5.47 H new ATOM 0 HE21 GLN A2053 0.088 12.669 -0.370 1.00 6.85 H new ATOM 0 HE22 GLN A2053 1.511 12.150 -1.279 1.00 6.85 H new ATOM 18 N GLY A2054 -3.058 7.343 -0.012 1.00 3.41 N ATOM 19 CA GLY A2054 -2.837 6.541 1.179 1.00 3.09 C ATOM 20 C GLY A2054 -4.130 6.185 1.886 1.00 2.21 C ATOM 21 O GLY A2054 -4.622 5.061 1.774 1.00 2.29 O ATOM 0 H GLY A2054 -2.908 6.849 -0.892 1.00 3.41 H new ATOM 0 HA2 GLY A2054 -2.312 5.626 0.905 1.00 3.09 H new ATOM 0 HA3 GLY A2054 -2.189 7.086 1.865 1.00 3.09 H new ATOM 25 N GLY A2055 -4.679 7.146 2.605 1.00 1.77 N ATOM 26 CA GLY A2055 -5.918 6.940 3.319 1.00 1.45 C ATOM 27 C GLY A2055 -6.601 8.254 3.618 1.00 1.28 C ATOM 28 O GLY A2055 -6.430 8.821 4.698 1.00 1.66 O ATOM 0 H GLY A2055 -4.282 8.080 2.708 1.00 1.77 H new ATOM 0 HA2 GLY A2055 -6.581 6.309 2.727 1.00 1.45 H new ATOM 0 HA3 GLY A2055 -5.720 6.410 4.251 1.00 1.45 H new ATOM 32 N ASP A2056 -7.352 8.747 2.642 1.00 1.08 N ATOM 33 CA ASP A2056 -8.036 10.028 2.758 1.00 1.00 C ATOM 34 C ASP A2056 -9.080 10.002 3.868 1.00 1.03 C ATOM 35 O ASP A2056 -10.000 9.184 3.858 1.00 1.04 O ATOM 36 CB ASP A2056 -8.691 10.397 1.426 1.00 1.12 C ATOM 37 CG ASP A2056 -7.674 10.823 0.388 1.00 1.80 C ATOM 38 OD1 ASP A2056 -6.982 9.946 -0.172 1.00 2.41 O ATOM 39 OD2 ASP A2056 -7.561 12.040 0.121 1.00 2.42 O ATOM 0 H ASP A2056 -7.504 8.273 1.752 1.00 1.08 H new ATOM 0 HA ASP A2056 -7.293 10.784 3.014 1.00 1.00 H new ATOM 0 HB2 ASP A2056 -9.255 9.543 1.051 1.00 1.12 H new ATOM 0 HB3 ASP A2056 -9.405 11.205 1.586 1.00 1.12 H new ATOM 44 N PRO A2057 -8.932 10.904 4.851 1.00 1.20 N ATOM 45 CA PRO A2057 -9.841 10.992 5.997 1.00 1.36 C ATOM 46 C PRO A2057 -11.218 11.518 5.609 1.00 1.24 C ATOM 47 O PRO A2057 -12.241 11.031 6.088 1.00 1.34 O ATOM 48 CB PRO A2057 -9.145 11.982 6.931 1.00 1.72 C ATOM 49 CG PRO A2057 -8.279 12.807 6.045 1.00 1.71 C ATOM 50 CD PRO A2057 -7.848 11.903 4.926 1.00 1.41 C ATOM 0 HA PRO A2057 -10.022 10.014 6.443 1.00 1.36 H new ATOM 0 HB2 PRO A2057 -9.870 12.600 7.461 1.00 1.72 H new ATOM 0 HB3 PRO A2057 -8.555 11.463 7.687 1.00 1.72 H new ATOM 0 HG2 PRO A2057 -8.823 13.670 5.661 1.00 1.71 H new ATOM 0 HG3 PRO A2057 -7.417 13.191 6.590 1.00 1.71 H new ATOM 0 HD2 PRO A2057 -7.740 12.449 3.989 1.00 1.41 H new ATOM 0 HD3 PRO A2057 -6.886 11.436 5.136 1.00 1.41 H new ATOM 58 N LEU A2058 -11.232 12.509 4.727 1.00 1.18 N ATOM 59 CA LEU A2058 -12.476 13.144 4.304 1.00 1.17 C ATOM 60 C LEU A2058 -13.176 12.338 3.218 1.00 1.00 C ATOM 61 O LEU A2058 -14.271 12.683 2.777 1.00 1.06 O ATOM 62 CB LEU A2058 -12.246 14.606 3.885 1.00 1.35 C ATOM 63 CG LEU A2058 -11.472 14.897 2.599 1.00 1.71 C ATOM 64 CD1 LEU A2058 -10.379 13.878 2.348 1.00 2.34 C ATOM 65 CD2 LEU A2058 -12.408 15.040 1.409 1.00 2.10 C ATOM 0 H LEU A2058 -10.394 12.892 4.289 1.00 1.18 H new ATOM 0 HA LEU A2058 -13.146 13.161 5.164 1.00 1.17 H new ATOM 0 HB2 LEU A2058 -13.223 15.080 3.795 1.00 1.35 H new ATOM 0 HB3 LEU A2058 -11.725 15.104 4.702 1.00 1.35 H new ATOM 0 HG LEU A2058 -10.972 15.856 2.733 1.00 1.71 H new ATOM 0 HD11 LEU A2058 -9.856 14.125 1.424 1.00 2.34 H new ATOM 0 HD12 LEU A2058 -9.673 13.890 3.178 1.00 2.34 H new ATOM 0 HD13 LEU A2058 -10.820 12.885 2.261 1.00 2.34 H new ATOM 0 HD21 LEU A2058 -11.826 15.246 0.511 1.00 2.10 H new ATOM 0 HD22 LEU A2058 -12.968 14.115 1.274 1.00 2.10 H new ATOM 0 HD23 LEU A2058 -13.102 15.861 1.588 1.00 2.10 H new ATOM 77 N VAL A2059 -12.543 11.246 2.811 1.00 0.86 N ATOM 78 CA VAL A2059 -13.106 10.358 1.809 1.00 0.74 C ATOM 79 C VAL A2059 -12.895 8.918 2.244 1.00 0.66 C ATOM 80 O VAL A2059 -11.910 8.283 1.861 1.00 0.62 O ATOM 81 CB VAL A2059 -12.467 10.563 0.419 1.00 0.75 C ATOM 82 CG1 VAL A2059 -13.262 9.819 -0.647 1.00 0.80 C ATOM 83 CG2 VAL A2059 -12.366 12.042 0.087 1.00 0.87 C ATOM 0 H VAL A2059 -11.632 10.954 3.164 1.00 0.86 H new ATOM 0 HA VAL A2059 -14.168 10.588 1.724 1.00 0.74 H new ATOM 0 HB VAL A2059 -11.457 10.153 0.439 1.00 0.75 H new ATOM 0 HG11 VAL A2059 -12.798 9.974 -1.621 1.00 0.80 H new ATOM 0 HG12 VAL A2059 -13.273 8.754 -0.416 1.00 0.80 H new ATOM 0 HG13 VAL A2059 -14.284 10.196 -0.668 1.00 0.80 H new ATOM 0 HG21 VAL A2059 -11.913 12.164 -0.897 1.00 0.87 H new ATOM 0 HG22 VAL A2059 -13.363 12.483 0.085 1.00 0.87 H new ATOM 0 HG23 VAL A2059 -11.750 12.541 0.835 1.00 0.87 H new ATOM 93 N PRO A2060 -13.799 8.399 3.082 1.00 0.71 N ATOM 94 CA PRO A2060 -13.705 7.034 3.591 1.00 0.72 C ATOM 95 C PRO A2060 -13.622 6.015 2.464 1.00 0.59 C ATOM 96 O PRO A2060 -14.402 6.060 1.511 1.00 0.58 O ATOM 97 CB PRO A2060 -14.997 6.853 4.391 1.00 0.87 C ATOM 98 CG PRO A2060 -15.435 8.233 4.732 1.00 1.04 C ATOM 99 CD PRO A2060 -14.983 9.103 3.598 1.00 0.86 C ATOM 0 HA PRO A2060 -12.806 6.879 4.187 1.00 0.72 H new ATOM 0 HB2 PRO A2060 -15.754 6.332 3.805 1.00 0.87 H new ATOM 0 HB3 PRO A2060 -14.825 6.260 5.289 1.00 0.87 H new ATOM 0 HG2 PRO A2060 -16.517 8.280 4.852 1.00 1.04 H new ATOM 0 HG3 PRO A2060 -14.995 8.560 5.674 1.00 1.04 H new ATOM 0 HD2 PRO A2060 -15.755 9.203 2.835 1.00 0.86 H new ATOM 0 HD3 PRO A2060 -14.737 10.109 3.937 1.00 0.86 H new ATOM 107 N ILE A2061 -12.654 5.120 2.563 1.00 0.62 N ATOM 108 CA ILE A2061 -12.474 4.083 1.562 1.00 0.56 C ATOM 109 C ILE A2061 -13.685 3.155 1.559 1.00 0.51 C ATOM 110 O ILE A2061 -14.245 2.854 2.615 1.00 0.57 O ATOM 111 CB ILE A2061 -11.193 3.260 1.821 1.00 0.69 C ATOM 112 CG1 ILE A2061 -9.972 4.181 1.965 1.00 0.77 C ATOM 113 CG2 ILE A2061 -10.969 2.256 0.699 1.00 0.75 C ATOM 114 CD1 ILE A2061 -9.686 5.030 0.746 1.00 0.76 C ATOM 0 H ILE A2061 -11.980 5.091 3.328 1.00 0.62 H new ATOM 0 HA ILE A2061 -12.374 4.568 0.591 1.00 0.56 H new ATOM 0 HB ILE A2061 -11.323 2.715 2.756 1.00 0.69 H new ATOM 0 HG12 ILE A2061 -10.125 4.837 2.822 1.00 0.77 H new ATOM 0 HG13 ILE A2061 -9.095 3.571 2.183 1.00 0.77 H new ATOM 0 HG21 ILE A2061 -10.062 1.685 0.898 1.00 0.75 H new ATOM 0 HG22 ILE A2061 -11.820 1.578 0.643 1.00 0.75 H new ATOM 0 HG23 ILE A2061 -10.864 2.786 -0.248 1.00 0.75 H new ATOM 0 HD11 ILE A2061 -8.809 5.650 0.932 1.00 0.76 H new ATOM 0 HD12 ILE A2061 -9.498 4.384 -0.112 1.00 0.76 H new ATOM 0 HD13 ILE A2061 -10.544 5.669 0.538 1.00 0.76 H new ATOM 126 N ASP A2062 -14.091 2.720 0.373 1.00 0.45 N ATOM 127 CA ASP A2062 -15.287 1.904 0.228 1.00 0.43 C ATOM 128 C ASP A2062 -14.983 0.454 0.581 1.00 0.43 C ATOM 129 O ASP A2062 -14.048 -0.142 0.050 1.00 0.43 O ATOM 130 CB ASP A2062 -15.823 1.999 -1.198 1.00 0.44 C ATOM 131 CG ASP A2062 -17.212 1.414 -1.331 1.00 0.71 C ATOM 132 OD1 ASP A2062 -17.365 0.189 -1.175 1.00 1.42 O ATOM 133 OD2 ASP A2062 -18.162 2.184 -1.594 1.00 1.40 O ATOM 0 H ASP A2062 -13.608 2.920 -0.503 1.00 0.45 H new ATOM 0 HA ASP A2062 -16.048 2.278 0.913 1.00 0.43 H new ATOM 0 HB2 ASP A2062 -15.840 3.044 -1.508 1.00 0.44 H new ATOM 0 HB3 ASP A2062 -15.145 1.477 -1.874 1.00 0.44 H new ATOM 138 N GLU A2063 -15.782 -0.115 1.464 1.00 0.47 N ATOM 139 CA GLU A2063 -15.494 -1.435 2.004 1.00 0.52 C ATOM 140 C GLU A2063 -16.149 -2.543 1.183 1.00 0.51 C ATOM 141 O GLU A2063 -16.038 -3.720 1.523 1.00 0.58 O ATOM 142 CB GLU A2063 -15.963 -1.505 3.454 1.00 0.64 C ATOM 143 CG GLU A2063 -15.447 -0.355 4.300 1.00 0.72 C ATOM 144 CD GLU A2063 -15.998 -0.375 5.707 1.00 0.87 C ATOM 145 OE1 GLU A2063 -17.229 -0.237 5.870 1.00 1.55 O ATOM 146 OE2 GLU A2063 -15.204 -0.514 6.658 1.00 1.30 O ATOM 0 H GLU A2063 -16.635 0.314 1.824 1.00 0.47 H new ATOM 0 HA GLU A2063 -14.416 -1.591 1.956 1.00 0.52 H new ATOM 0 HB2 GLU A2063 -17.053 -1.506 3.478 1.00 0.64 H new ATOM 0 HB3 GLU A2063 -15.633 -2.447 3.892 1.00 0.64 H new ATOM 0 HG2 GLU A2063 -14.359 -0.398 4.339 1.00 0.72 H new ATOM 0 HG3 GLU A2063 -15.712 0.589 3.824 1.00 0.72 H new ATOM 153 N THR A2064 -16.832 -2.177 0.106 1.00 0.49 N ATOM 154 CA THR A2064 -17.478 -3.170 -0.741 1.00 0.54 C ATOM 155 C THR A2064 -16.785 -3.273 -2.096 1.00 0.50 C ATOM 156 O THR A2064 -17.119 -4.129 -2.916 1.00 0.59 O ATOM 157 CB THR A2064 -18.979 -2.868 -0.942 1.00 0.60 C ATOM 158 OG1 THR A2064 -19.167 -1.574 -1.537 1.00 0.58 O ATOM 159 CG2 THR A2064 -19.722 -2.929 0.383 1.00 0.69 C ATOM 0 H THR A2064 -16.952 -1.211 -0.199 1.00 0.49 H new ATOM 0 HA THR A2064 -17.390 -4.126 -0.225 1.00 0.54 H new ATOM 0 HB THR A2064 -19.381 -3.627 -1.613 1.00 0.60 H new ATOM 0 HG1 THR A2064 -18.297 -1.140 -1.658 1.00 0.58 H new ATOM 0 HG21 THR A2064 -20.778 -2.713 0.218 1.00 0.69 H new ATOM 0 HG22 THR A2064 -19.618 -3.925 0.813 1.00 0.69 H new ATOM 0 HG23 THR A2064 -19.304 -2.192 1.069 1.00 0.69 H new ATOM 167 N VAL A2065 -15.809 -2.402 -2.323 1.00 0.44 N ATOM 168 CA VAL A2065 -15.042 -2.421 -3.564 1.00 0.43 C ATOM 169 C VAL A2065 -13.806 -3.295 -3.395 1.00 0.37 C ATOM 170 O VAL A2065 -13.649 -3.951 -2.365 1.00 0.46 O ATOM 171 CB VAL A2065 -14.612 -1.003 -3.989 1.00 0.48 C ATOM 172 CG1 VAL A2065 -15.827 -0.126 -4.250 1.00 0.82 C ATOM 173 CG2 VAL A2065 -13.712 -0.383 -2.934 1.00 0.57 C ATOM 0 H VAL A2065 -15.530 -1.674 -1.665 1.00 0.44 H new ATOM 0 HA VAL A2065 -15.684 -2.829 -4.344 1.00 0.43 H new ATOM 0 HB VAL A2065 -14.047 -1.078 -4.918 1.00 0.48 H new ATOM 0 HG11 VAL A2065 -15.500 0.870 -4.548 1.00 0.82 H new ATOM 0 HG12 VAL A2065 -16.428 -0.564 -5.047 1.00 0.82 H new ATOM 0 HG13 VAL A2065 -16.426 -0.054 -3.342 1.00 0.82 H new ATOM 0 HG21 VAL A2065 -13.417 0.618 -3.250 1.00 0.57 H new ATOM 0 HG22 VAL A2065 -14.249 -0.322 -1.988 1.00 0.57 H new ATOM 0 HG23 VAL A2065 -12.822 -1.000 -2.807 1.00 0.57 H new ATOM 183 N GLU A2066 -12.940 -3.314 -4.403 1.00 0.34 N ATOM 184 CA GLU A2066 -11.720 -4.102 -4.331 1.00 0.32 C ATOM 185 C GLU A2066 -10.573 -3.290 -3.727 1.00 0.26 C ATOM 186 O GLU A2066 -10.110 -2.298 -4.313 1.00 0.28 O ATOM 187 CB GLU A2066 -11.304 -4.619 -5.711 1.00 0.40 C ATOM 188 CG GLU A2066 -10.061 -5.494 -5.669 1.00 0.43 C ATOM 189 CD GLU A2066 -9.526 -5.834 -7.044 1.00 0.61 C ATOM 190 OE1 GLU A2066 -8.615 -5.124 -7.523 1.00 0.68 O ATOM 191 OE2 GLU A2066 -9.994 -6.824 -7.640 1.00 0.78 O ATOM 0 H GLU A2066 -13.061 -2.796 -5.273 1.00 0.34 H new ATOM 0 HA GLU A2066 -11.932 -4.955 -3.686 1.00 0.32 H new ATOM 0 HB2 GLU A2066 -12.127 -5.188 -6.143 1.00 0.40 H new ATOM 0 HB3 GLU A2066 -11.122 -3.771 -6.371 1.00 0.40 H new ATOM 0 HG2 GLU A2066 -9.284 -4.984 -5.100 1.00 0.43 H new ATOM 0 HG3 GLU A2066 -10.292 -6.417 -5.137 1.00 0.43 H new ATOM 198 N PRO A2067 -10.147 -3.665 -2.516 1.00 0.27 N ATOM 199 CA PRO A2067 -8.916 -3.199 -1.922 1.00 0.30 C ATOM 200 C PRO A2067 -7.814 -4.252 -2.059 1.00 0.28 C ATOM 201 O PRO A2067 -7.870 -5.304 -1.425 1.00 0.34 O ATOM 202 CB PRO A2067 -9.330 -3.009 -0.461 1.00 0.41 C ATOM 203 CG PRO A2067 -10.488 -3.944 -0.236 1.00 0.45 C ATOM 204 CD PRO A2067 -10.856 -4.535 -1.578 1.00 0.37 C ATOM 0 HA PRO A2067 -8.507 -2.300 -2.382 1.00 0.30 H new ATOM 0 HB2 PRO A2067 -8.505 -3.240 0.212 1.00 0.41 H new ATOM 0 HB3 PRO A2067 -9.619 -1.976 -0.268 1.00 0.41 H new ATOM 0 HG2 PRO A2067 -10.216 -4.730 0.468 1.00 0.45 H new ATOM 0 HG3 PRO A2067 -11.335 -3.410 0.194 1.00 0.45 H new ATOM 0 HD2 PRO A2067 -10.534 -5.573 -1.666 1.00 0.37 H new ATOM 0 HD3 PRO A2067 -11.933 -4.520 -1.746 1.00 0.37 H new ATOM 212 N THR A2068 -6.827 -3.988 -2.898 1.00 0.29 N ATOM 213 CA THR A2068 -5.777 -4.964 -3.171 1.00 0.32 C ATOM 214 C THR A2068 -4.457 -4.273 -3.471 1.00 0.39 C ATOM 215 O THR A2068 -4.335 -3.057 -3.351 1.00 0.70 O ATOM 216 CB THR A2068 -6.145 -5.849 -4.381 1.00 0.34 C ATOM 217 OG1 THR A2068 -6.682 -5.032 -5.431 1.00 0.38 O ATOM 218 CG2 THR A2068 -7.146 -6.930 -4.002 1.00 0.36 C ATOM 0 H THR A2068 -6.728 -3.108 -3.403 1.00 0.29 H new ATOM 0 HA THR A2068 -5.677 -5.582 -2.279 1.00 0.32 H new ATOM 0 HB THR A2068 -5.237 -6.343 -4.726 1.00 0.34 H new ATOM 0 HG1 THR A2068 -6.616 -5.510 -6.284 1.00 0.38 H new ATOM 0 HG21 THR A2068 -7.381 -7.532 -4.880 1.00 0.36 H new ATOM 0 HG22 THR A2068 -6.718 -7.567 -3.228 1.00 0.36 H new ATOM 0 HG23 THR A2068 -8.058 -6.466 -3.626 1.00 0.36 H new ATOM 226 N PHE A2069 -3.451 -5.057 -3.803 1.00 0.25 N ATOM 227 CA PHE A2069 -2.244 -4.514 -4.393 1.00 0.26 C ATOM 228 C PHE A2069 -2.315 -4.781 -5.881 1.00 0.27 C ATOM 229 O PHE A2069 -3.017 -5.706 -6.281 1.00 0.31 O ATOM 230 CB PHE A2069 -0.985 -5.139 -3.786 1.00 0.31 C ATOM 231 CG PHE A2069 -0.995 -5.188 -2.283 1.00 0.28 C ATOM 232 CD1 PHE A2069 -0.193 -6.088 -1.607 1.00 1.14 C ATOM 233 CD2 PHE A2069 -1.818 -4.351 -1.546 1.00 1.12 C ATOM 234 CE1 PHE A2069 -0.215 -6.153 -0.232 1.00 1.16 C ATOM 235 CE2 PHE A2069 -1.841 -4.410 -0.171 1.00 1.15 C ATOM 236 CZ PHE A2069 -1.041 -5.313 0.485 1.00 0.42 C ATOM 0 H PHE A2069 -3.445 -6.069 -3.675 1.00 0.25 H new ATOM 0 HA PHE A2069 -2.180 -3.444 -4.193 1.00 0.26 H new ATOM 0 HB2 PHE A2069 -0.871 -6.152 -4.172 1.00 0.31 H new ATOM 0 HB3 PHE A2069 -0.114 -4.572 -4.116 1.00 0.31 H new ATOM 0 HD1 PHE A2069 0.457 -6.747 -2.163 1.00 1.14 H new ATOM 0 HD2 PHE A2069 -2.451 -3.642 -2.058 1.00 1.12 H new ATOM 0 HE1 PHE A2069 0.415 -6.862 0.285 1.00 1.16 H new ATOM 0 HE2 PHE A2069 -2.485 -3.749 0.390 1.00 1.15 H new ATOM 0 HZ PHE A2069 -1.059 -5.365 1.564 1.00 0.42 H new ATOM 246 N GLU A2070 -1.613 -4.005 -6.691 1.00 0.30 N ATOM 247 CA GLU A2070 -1.801 -4.043 -8.141 1.00 0.36 C ATOM 248 C GLU A2070 -1.659 -5.468 -8.702 1.00 0.36 C ATOM 249 O GLU A2070 -2.376 -5.855 -9.633 1.00 0.44 O ATOM 250 CB GLU A2070 -0.812 -3.098 -8.829 1.00 0.52 C ATOM 251 CG GLU A2070 -1.216 -2.725 -10.244 1.00 0.66 C ATOM 252 CD GLU A2070 -2.508 -1.935 -10.284 1.00 1.36 C ATOM 253 OE1 GLU A2070 -2.455 -0.712 -10.532 1.00 2.09 O ATOM 254 OE2 GLU A2070 -3.584 -2.528 -10.058 1.00 2.01 O ATOM 0 H GLU A2070 -0.907 -3.340 -6.374 1.00 0.30 H new ATOM 0 HA GLU A2070 -2.818 -3.711 -8.349 1.00 0.36 H new ATOM 0 HB2 GLU A2070 -0.717 -2.189 -8.235 1.00 0.52 H new ATOM 0 HB3 GLU A2070 0.171 -3.568 -8.852 1.00 0.52 H new ATOM 0 HG2 GLU A2070 -0.420 -2.139 -10.704 1.00 0.66 H new ATOM 0 HG3 GLU A2070 -1.329 -3.632 -10.838 1.00 0.66 H new ATOM 261 N ASP A2071 -0.760 -6.256 -8.105 1.00 0.40 N ATOM 262 CA ASP A2071 -0.521 -7.639 -8.541 1.00 0.53 C ATOM 263 C ASP A2071 -1.656 -8.565 -8.100 1.00 0.50 C ATOM 264 O ASP A2071 -1.677 -9.748 -8.444 1.00 0.62 O ATOM 265 CB ASP A2071 0.796 -8.177 -7.967 1.00 0.69 C ATOM 266 CG ASP A2071 1.999 -7.333 -8.326 1.00 1.42 C ATOM 267 OD1 ASP A2071 2.285 -7.170 -9.528 1.00 2.06 O ATOM 268 OD2 ASP A2071 2.675 -6.833 -7.400 1.00 2.15 O ATOM 0 H ASP A2071 -0.184 -5.961 -7.317 1.00 0.40 H new ATOM 0 HA ASP A2071 -0.469 -7.622 -9.630 1.00 0.53 H new ATOM 0 HB2 ASP A2071 0.713 -8.235 -6.882 1.00 0.69 H new ATOM 0 HB3 ASP A2071 0.953 -9.193 -8.330 1.00 0.69 H new ATOM 273 N GLY A2072 -2.590 -8.025 -7.335 1.00 0.43 N ATOM 274 CA GLY A2072 -3.677 -8.819 -6.804 1.00 0.48 C ATOM 275 C GLY A2072 -3.341 -9.398 -5.447 1.00 0.48 C ATOM 276 O GLY A2072 -4.032 -10.285 -4.954 1.00 0.63 O ATOM 0 H GLY A2072 -2.614 -7.040 -7.070 1.00 0.43 H new ATOM 0 HA2 GLY A2072 -4.572 -8.202 -6.724 1.00 0.48 H new ATOM 0 HA3 GLY A2072 -3.908 -9.628 -7.497 1.00 0.48 H new ATOM 280 N SER A2073 -2.290 -8.874 -4.836 1.00 0.37 N ATOM 281 CA SER A2073 -1.787 -9.411 -3.577 1.00 0.38 C ATOM 282 C SER A2073 -2.527 -8.808 -2.381 1.00 0.35 C ATOM 283 O SER A2073 -3.191 -7.773 -2.507 1.00 0.38 O ATOM 284 CB SER A2073 -0.280 -9.160 -3.488 1.00 0.46 C ATOM 285 OG SER A2073 0.090 -8.014 -4.236 1.00 0.89 O ATOM 0 H SER A2073 -1.766 -8.075 -5.191 1.00 0.37 H new ATOM 0 HA SER A2073 -1.968 -10.485 -3.550 1.00 0.38 H new ATOM 0 HB2 SER A2073 0.009 -9.027 -2.445 1.00 0.46 H new ATOM 0 HB3 SER A2073 0.260 -10.031 -3.860 1.00 0.46 H new ATOM 0 HG SER A2073 1.057 -7.873 -4.162 1.00 0.89 H new ATOM 291 N LYS A2074 -2.432 -9.473 -1.226 1.00 0.35 N ATOM 292 CA LYS A2074 -3.181 -9.063 -0.038 1.00 0.34 C ATOM 293 C LYS A2074 -2.254 -8.613 1.095 1.00 0.34 C ATOM 294 O LYS A2074 -2.666 -7.863 1.981 1.00 0.42 O ATOM 295 CB LYS A2074 -4.087 -10.201 0.447 1.00 0.39 C ATOM 296 CG LYS A2074 -5.045 -10.731 -0.616 1.00 0.53 C ATOM 297 CD LYS A2074 -5.943 -9.635 -1.175 1.00 0.43 C ATOM 298 CE LYS A2074 -6.928 -10.183 -2.202 1.00 0.55 C ATOM 299 NZ LYS A2074 -6.242 -10.864 -3.334 1.00 1.13 N ATOM 0 H LYS A2074 -1.845 -10.296 -1.090 1.00 0.35 H new ATOM 0 HA LYS A2074 -3.797 -8.210 -0.324 1.00 0.34 H new ATOM 0 HB2 LYS A2074 -3.463 -11.022 0.800 1.00 0.39 H new ATOM 0 HB3 LYS A2074 -4.667 -9.851 1.301 1.00 0.39 H new ATOM 0 HG2 LYS A2074 -4.473 -11.180 -1.428 1.00 0.53 H new ATOM 0 HG3 LYS A2074 -5.662 -11.521 -0.187 1.00 0.53 H new ATOM 0 HD2 LYS A2074 -6.492 -9.163 -0.360 1.00 0.43 H new ATOM 0 HD3 LYS A2074 -5.329 -8.861 -1.636 1.00 0.43 H new ATOM 0 HE2 LYS A2074 -7.605 -10.885 -1.715 1.00 0.55 H new ATOM 0 HE3 LYS A2074 -7.539 -9.367 -2.588 1.00 0.55 H new ATOM 0 HZ1 LYS A2074 -6.912 -10.993 -4.119 1.00 1.13 H new ATOM 0 HZ2 LYS A2074 -5.441 -10.283 -3.655 1.00 1.13 H new ATOM 0 HZ3 LYS A2074 -5.893 -11.792 -3.021 1.00 1.13 H new ATOM 313 N GLU A2075 -1.013 -9.084 1.079 1.00 0.33 N ATOM 314 CA GLU A2075 -0.007 -8.620 2.027 1.00 0.32 C ATOM 315 C GLU A2075 1.378 -8.737 1.419 1.00 0.34 C ATOM 316 O GLU A2075 1.699 -9.715 0.747 1.00 0.47 O ATOM 317 CB GLU A2075 -0.102 -9.367 3.377 1.00 0.36 C ATOM 318 CG GLU A2075 1.188 -9.409 4.193 1.00 0.91 C ATOM 319 CD GLU A2075 2.097 -10.565 3.815 1.00 1.40 C ATOM 320 OE1 GLU A2075 3.294 -10.325 3.545 1.00 2.08 O ATOM 321 OE2 GLU A2075 1.618 -11.714 3.774 1.00 1.88 O ATOM 0 H GLU A2075 -0.679 -9.787 0.420 1.00 0.33 H new ATOM 0 HA GLU A2075 -0.200 -7.569 2.240 1.00 0.32 H new ATOM 0 HB2 GLU A2075 -0.878 -8.896 3.980 1.00 0.36 H new ATOM 0 HB3 GLU A2075 -0.424 -10.390 3.185 1.00 0.36 H new ATOM 0 HG2 GLU A2075 1.727 -8.472 4.057 1.00 0.91 H new ATOM 0 HG3 GLU A2075 0.939 -9.482 5.252 1.00 0.91 H new ATOM 328 N LYS A2076 2.179 -7.711 1.631 1.00 0.35 N ATOM 329 CA LYS A2076 3.558 -7.719 1.198 1.00 0.38 C ATOM 330 C LYS A2076 4.460 -7.272 2.332 1.00 0.37 C ATOM 331 O LYS A2076 4.570 -6.080 2.618 1.00 0.37 O ATOM 332 CB LYS A2076 3.751 -6.813 -0.023 1.00 0.44 C ATOM 333 CG LYS A2076 3.828 -7.555 -1.352 1.00 0.88 C ATOM 334 CD LYS A2076 5.239 -8.059 -1.653 1.00 0.91 C ATOM 335 CE LYS A2076 5.685 -9.170 -0.709 1.00 0.88 C ATOM 336 NZ LYS A2076 4.883 -10.411 -0.881 1.00 1.48 N ATOM 0 H LYS A2076 1.892 -6.855 2.105 1.00 0.35 H new ATOM 0 HA LYS A2076 3.824 -8.736 0.912 1.00 0.38 H new ATOM 0 HB2 LYS A2076 2.927 -6.101 -0.066 1.00 0.44 H new ATOM 0 HB3 LYS A2076 4.665 -6.235 0.110 1.00 0.44 H new ATOM 0 HG2 LYS A2076 3.139 -8.399 -1.335 1.00 0.88 H new ATOM 0 HG3 LYS A2076 3.502 -6.893 -2.155 1.00 0.88 H new ATOM 0 HD2 LYS A2076 5.278 -8.424 -2.679 1.00 0.91 H new ATOM 0 HD3 LYS A2076 5.939 -7.227 -1.583 1.00 0.91 H new ATOM 0 HE2 LYS A2076 6.737 -9.393 -0.885 1.00 0.88 H new ATOM 0 HE3 LYS A2076 5.600 -8.825 0.321 1.00 0.88 H new ATOM 0 HZ1 LYS A2076 4.394 -10.635 0.009 1.00 1.48 H new ATOM 0 HZ2 LYS A2076 4.181 -10.269 -1.635 1.00 1.48 H new ATOM 0 HZ3 LYS A2076 5.512 -11.198 -1.138 1.00 1.48 H new ATOM 350 N THR A2077 5.069 -8.236 3.001 1.00 0.45 N ATOM 351 CA THR A2077 6.011 -7.939 4.058 1.00 0.47 C ATOM 352 C THR A2077 7.436 -8.132 3.573 1.00 0.52 C ATOM 353 O THR A2077 7.861 -9.248 3.283 1.00 0.63 O ATOM 354 CB THR A2077 5.793 -8.833 5.290 1.00 0.50 C ATOM 355 OG1 THR A2077 4.396 -8.900 5.609 1.00 0.48 O ATOM 356 CG2 THR A2077 6.575 -8.291 6.479 1.00 0.55 C ATOM 0 H THR A2077 4.926 -9.231 2.828 1.00 0.45 H new ATOM 0 HA THR A2077 5.845 -6.900 4.341 1.00 0.47 H new ATOM 0 HB THR A2077 6.152 -9.837 5.062 1.00 0.50 H new ATOM 0 HG1 THR A2077 3.949 -9.516 4.992 1.00 0.48 H new ATOM 0 HG21 THR A2077 6.412 -8.933 7.345 1.00 0.55 H new ATOM 0 HG22 THR A2077 7.638 -8.271 6.237 1.00 0.55 H new ATOM 0 HG23 THR A2077 6.236 -7.281 6.708 1.00 0.55 H new ATOM 364 N ILE A2078 8.159 -7.039 3.461 1.00 0.51 N ATOM 365 CA ILE A2078 9.573 -7.097 3.153 1.00 0.60 C ATOM 366 C ILE A2078 10.338 -6.572 4.357 1.00 0.60 C ATOM 367 O ILE A2078 10.070 -5.465 4.818 1.00 0.53 O ATOM 368 CB ILE A2078 9.922 -6.267 1.896 1.00 0.67 C ATOM 369 CG1 ILE A2078 9.087 -6.725 0.695 1.00 0.75 C ATOM 370 CG2 ILE A2078 11.410 -6.363 1.581 1.00 0.80 C ATOM 371 CD1 ILE A2078 9.348 -8.155 0.269 1.00 1.62 C ATOM 0 H ILE A2078 7.790 -6.095 3.579 1.00 0.51 H new ATOM 0 HA ILE A2078 9.850 -8.129 2.938 1.00 0.60 H new ATOM 0 HB ILE A2078 9.683 -5.224 2.102 1.00 0.67 H new ATOM 0 HG12 ILE A2078 8.030 -6.617 0.939 1.00 0.75 H new ATOM 0 HG13 ILE A2078 9.289 -6.064 -0.148 1.00 0.75 H new ATOM 0 HG21 ILE A2078 11.633 -5.772 0.693 1.00 0.80 H new ATOM 0 HG22 ILE A2078 11.986 -5.982 2.425 1.00 0.80 H new ATOM 0 HG23 ILE A2078 11.677 -7.404 1.400 1.00 0.80 H new ATOM 0 HD11 ILE A2078 8.718 -8.401 -0.586 1.00 1.62 H new ATOM 0 HD12 ILE A2078 10.396 -8.266 -0.008 1.00 1.62 H new ATOM 0 HD13 ILE A2078 9.118 -8.828 1.095 1.00 1.62 H new ATOM 383 N PRO A2079 11.255 -7.383 4.911 1.00 0.72 N ATOM 384 CA PRO A2079 12.010 -7.030 6.119 1.00 0.79 C ATOM 385 C PRO A2079 12.594 -5.620 6.068 1.00 0.74 C ATOM 386 O PRO A2079 13.533 -5.345 5.317 1.00 0.76 O ATOM 387 CB PRO A2079 13.129 -8.069 6.144 1.00 0.94 C ATOM 388 CG PRO A2079 12.551 -9.258 5.460 1.00 0.98 C ATOM 389 CD PRO A2079 11.615 -8.724 4.410 1.00 0.85 C ATOM 0 HA PRO A2079 11.376 -7.033 7.006 1.00 0.79 H new ATOM 0 HB2 PRO A2079 14.018 -7.707 5.627 1.00 0.94 H new ATOM 0 HB3 PRO A2079 13.428 -8.305 7.165 1.00 0.94 H new ATOM 0 HG2 PRO A2079 13.335 -9.867 5.010 1.00 0.98 H new ATOM 0 HG3 PRO A2079 12.020 -9.894 6.168 1.00 0.98 H new ATOM 0 HD2 PRO A2079 12.097 -8.671 3.434 1.00 0.85 H new ATOM 0 HD3 PRO A2079 10.736 -9.359 4.297 1.00 0.85 H new ATOM 397 N GLY A2080 12.019 -4.730 6.870 1.00 0.73 N ATOM 398 CA GLY A2080 12.497 -3.366 6.938 1.00 0.76 C ATOM 399 C GLY A2080 11.642 -2.400 6.137 1.00 0.70 C ATOM 400 O GLY A2080 11.676 -1.196 6.376 1.00 0.94 O ATOM 0 H GLY A2080 11.225 -4.934 7.477 1.00 0.73 H new ATOM 0 HA2 GLY A2080 12.520 -3.046 7.980 1.00 0.76 H new ATOM 0 HA3 GLY A2080 13.522 -3.327 6.570 1.00 0.76 H new ATOM 404 N GLN A2081 10.854 -2.929 5.214 1.00 0.54 N ATOM 405 CA GLN A2081 10.091 -2.100 4.284 1.00 0.53 C ATOM 406 C GLN A2081 8.713 -1.780 4.849 1.00 0.50 C ATOM 407 O GLN A2081 8.130 -0.733 4.559 1.00 0.57 O ATOM 408 CB GLN A2081 9.948 -2.838 2.954 1.00 0.57 C ATOM 409 CG GLN A2081 9.164 -2.087 1.890 1.00 0.95 C ATOM 410 CD GLN A2081 9.077 -2.861 0.588 1.00 1.09 C ATOM 411 OE1 GLN A2081 9.989 -3.606 0.234 1.00 2.02 O ATOM 412 NE2 GLN A2081 7.977 -2.702 -0.129 1.00 0.87 N ATOM 0 H GLN A2081 10.724 -3.932 5.086 1.00 0.54 H new ATOM 0 HA GLN A2081 10.623 -1.161 4.131 1.00 0.53 H new ATOM 0 HB2 GLN A2081 10.943 -3.056 2.566 1.00 0.57 H new ATOM 0 HB3 GLN A2081 9.461 -3.796 3.136 1.00 0.57 H new ATOM 0 HG2 GLN A2081 8.158 -1.884 2.258 1.00 0.95 H new ATOM 0 HG3 GLN A2081 9.637 -1.122 1.706 1.00 0.95 H new ATOM 0 HE21 GLN A2081 7.242 -2.075 0.197 1.00 0.87 H new ATOM 0 HE22 GLN A2081 7.864 -3.207 -1.008 1.00 0.87 H new ATOM 421 N GLY A2082 8.197 -2.697 5.649 1.00 0.47 N ATOM 422 CA GLY A2082 6.884 -2.524 6.225 1.00 0.50 C ATOM 423 C GLY A2082 5.928 -3.604 5.766 1.00 0.40 C ATOM 424 O GLY A2082 6.333 -4.552 5.086 1.00 0.45 O ATOM 0 H GLY A2082 8.668 -3.563 5.911 1.00 0.47 H new ATOM 0 HA2 GLY A2082 6.958 -2.541 7.312 1.00 0.50 H new ATOM 0 HA3 GLY A2082 6.490 -1.546 5.947 1.00 0.50 H new ATOM 428 N THR A2083 4.668 -3.480 6.145 1.00 0.33 N ATOM 429 CA THR A2083 3.652 -4.415 5.705 1.00 0.29 C ATOM 430 C THR A2083 2.413 -3.674 5.240 1.00 0.25 C ATOM 431 O THR A2083 1.947 -2.728 5.881 1.00 0.30 O ATOM 432 CB THR A2083 3.246 -5.408 6.812 1.00 0.36 C ATOM 433 OG1 THR A2083 4.417 -5.970 7.418 1.00 0.49 O ATOM 434 CG2 THR A2083 2.372 -6.531 6.242 1.00 0.36 C ATOM 0 H THR A2083 4.326 -2.740 6.757 1.00 0.33 H new ATOM 0 HA THR A2083 4.089 -4.979 4.881 1.00 0.29 H new ATOM 0 HB THR A2083 2.671 -4.867 7.564 1.00 0.36 H new ATOM 0 HG1 THR A2083 4.152 -6.599 8.121 1.00 0.49 H new ATOM 0 HG21 THR A2083 2.098 -7.220 7.041 1.00 0.36 H new ATOM 0 HG22 THR A2083 1.469 -6.104 5.805 1.00 0.36 H new ATOM 0 HG23 THR A2083 2.927 -7.069 5.474 1.00 0.36 H new ATOM 442 N TYR A2084 1.902 -4.093 4.110 1.00 0.28 N ATOM 443 CA TYR A2084 0.638 -3.600 3.622 1.00 0.34 C ATOM 444 C TYR A2084 -0.360 -4.737 3.748 1.00 0.32 C ATOM 445 O TYR A2084 -0.138 -5.815 3.204 1.00 0.29 O ATOM 446 CB TYR A2084 0.796 -3.134 2.172 1.00 0.43 C ATOM 447 CG TYR A2084 2.177 -2.577 1.897 1.00 0.44 C ATOM 448 CD1 TYR A2084 3.137 -3.354 1.262 1.00 1.13 C ATOM 449 CD2 TYR A2084 2.533 -1.299 2.311 1.00 1.38 C ATOM 450 CE1 TYR A2084 4.414 -2.876 1.048 1.00 1.15 C ATOM 451 CE2 TYR A2084 3.808 -0.811 2.092 1.00 1.44 C ATOM 452 CZ TYR A2084 4.745 -1.606 1.463 1.00 0.62 C ATOM 453 OH TYR A2084 6.021 -1.135 1.263 1.00 0.76 O ATOM 0 H TYR A2084 2.348 -4.782 3.504 1.00 0.28 H new ATOM 0 HA TYR A2084 0.286 -2.742 4.195 1.00 0.34 H new ATOM 0 HB2 TYR A2084 0.603 -3.971 1.500 1.00 0.43 H new ATOM 0 HB3 TYR A2084 0.048 -2.371 1.954 1.00 0.43 H new ATOM 0 HD1 TYR A2084 2.880 -4.349 0.930 1.00 1.13 H new ATOM 0 HD2 TYR A2084 1.804 -0.679 2.811 1.00 1.38 H new ATOM 0 HE1 TYR A2084 5.150 -3.496 0.557 1.00 1.15 H new ATOM 0 HE2 TYR A2084 4.069 0.187 2.411 1.00 1.44 H new ATOM 0 HH TYR A2084 5.985 -0.301 0.750 1.00 0.76 H new ATOM 463 N THR A2085 -1.417 -4.525 4.511 1.00 0.39 N ATOM 464 CA THR A2085 -2.334 -5.609 4.835 1.00 0.40 C ATOM 465 C THR A2085 -3.781 -5.256 4.530 1.00 0.41 C ATOM 466 O THR A2085 -4.316 -4.278 5.053 1.00 0.49 O ATOM 467 CB THR A2085 -2.213 -6.003 6.321 1.00 0.46 C ATOM 468 OG1 THR A2085 -1.814 -4.865 7.103 1.00 0.63 O ATOM 469 CG2 THR A2085 -1.217 -7.138 6.506 1.00 0.57 C ATOM 0 H THR A2085 -1.663 -3.622 4.916 1.00 0.39 H new ATOM 0 HA THR A2085 -2.050 -6.451 4.204 1.00 0.40 H new ATOM 0 HB THR A2085 -3.189 -6.347 6.662 1.00 0.46 H new ATOM 0 HG1 THR A2085 -1.742 -5.125 8.045 1.00 0.63 H new ATOM 0 HG21 THR A2085 -1.151 -7.396 7.563 1.00 0.57 H new ATOM 0 HG22 THR A2085 -1.548 -8.009 5.940 1.00 0.57 H new ATOM 0 HG23 THR A2085 -0.237 -6.824 6.148 1.00 0.57 H new ATOM 477 N ILE A2086 -4.407 -6.052 3.679 1.00 0.39 N ATOM 478 CA ILE A2086 -5.823 -5.908 3.406 1.00 0.40 C ATOM 479 C ILE A2086 -6.577 -7.145 3.874 1.00 0.45 C ATOM 480 O ILE A2086 -6.141 -8.276 3.652 1.00 0.55 O ATOM 481 CB ILE A2086 -6.104 -5.631 1.900 1.00 0.47 C ATOM 482 CG1 ILE A2086 -7.615 -5.638 1.590 1.00 0.56 C ATOM 483 CG2 ILE A2086 -5.368 -6.622 1.014 1.00 0.57 C ATOM 484 CD1 ILE A2086 -8.197 -7.001 1.252 1.00 1.18 C ATOM 0 H ILE A2086 -3.953 -6.807 3.165 1.00 0.39 H new ATOM 0 HA ILE A2086 -6.179 -5.041 3.963 1.00 0.40 H new ATOM 0 HB ILE A2086 -5.727 -4.632 1.681 1.00 0.47 H new ATOM 0 HG12 ILE A2086 -8.149 -5.236 2.451 1.00 0.56 H new ATOM 0 HG13 ILE A2086 -7.802 -4.963 0.755 1.00 0.56 H new ATOM 0 HG21 ILE A2086 -5.583 -6.404 -0.032 1.00 0.57 H new ATOM 0 HG22 ILE A2086 -4.295 -6.539 1.189 1.00 0.57 H new ATOM 0 HG23 ILE A2086 -5.697 -7.634 1.249 1.00 0.57 H new ATOM 0 HD11 ILE A2086 -9.263 -6.901 1.050 1.00 1.18 H new ATOM 0 HD12 ILE A2086 -7.697 -7.402 0.370 1.00 1.18 H new ATOM 0 HD13 ILE A2086 -8.049 -7.679 2.093 1.00 1.18 H new ATOM 496 N VAL A2087 -7.696 -6.925 4.546 1.00 0.49 N ATOM 497 CA VAL A2087 -8.577 -8.013 4.935 1.00 0.59 C ATOM 498 C VAL A2087 -9.941 -7.825 4.270 1.00 0.58 C ATOM 499 O VAL A2087 -10.351 -6.691 3.997 1.00 0.53 O ATOM 500 CB VAL A2087 -8.737 -8.110 6.471 1.00 0.73 C ATOM 501 CG1 VAL A2087 -7.401 -8.418 7.131 1.00 0.78 C ATOM 502 CG2 VAL A2087 -9.326 -6.833 7.042 1.00 0.80 C ATOM 0 H VAL A2087 -8.016 -6.000 4.834 1.00 0.49 H new ATOM 0 HA VAL A2087 -8.127 -8.948 4.600 1.00 0.59 H new ATOM 0 HB VAL A2087 -9.427 -8.926 6.684 1.00 0.73 H new ATOM 0 HG11 VAL A2087 -7.535 -8.482 8.211 1.00 0.78 H new ATOM 0 HG12 VAL A2087 -7.020 -9.368 6.756 1.00 0.78 H new ATOM 0 HG13 VAL A2087 -6.690 -7.625 6.900 1.00 0.78 H new ATOM 0 HG21 VAL A2087 -9.427 -6.930 8.123 1.00 0.80 H new ATOM 0 HG22 VAL A2087 -8.668 -5.995 6.813 1.00 0.80 H new ATOM 0 HG23 VAL A2087 -10.307 -6.656 6.601 1.00 0.80 H new ATOM 512 N PRO A2088 -10.651 -8.940 3.990 1.00 0.66 N ATOM 513 CA PRO A2088 -11.910 -8.945 3.210 1.00 0.68 C ATOM 514 C PRO A2088 -13.017 -8.053 3.779 1.00 0.66 C ATOM 515 O PRO A2088 -14.079 -7.920 3.171 1.00 0.69 O ATOM 516 CB PRO A2088 -12.354 -10.410 3.251 1.00 0.81 C ATOM 517 CG PRO A2088 -11.111 -11.180 3.518 1.00 0.97 C ATOM 518 CD PRO A2088 -10.267 -10.304 4.396 1.00 0.78 C ATOM 0 HA PRO A2088 -11.734 -8.545 2.211 1.00 0.68 H new ATOM 0 HB2 PRO A2088 -13.097 -10.576 4.031 1.00 0.81 H new ATOM 0 HB3 PRO A2088 -12.810 -10.711 2.308 1.00 0.81 H new ATOM 0 HG2 PRO A2088 -11.336 -12.126 4.010 1.00 0.97 H new ATOM 0 HG3 PRO A2088 -10.592 -11.419 2.590 1.00 0.97 H new ATOM 0 HD2 PRO A2088 -10.469 -10.480 5.452 1.00 0.78 H new ATOM 0 HD3 PRO A2088 -9.203 -10.485 4.240 1.00 0.78 H new ATOM 526 N ASP A2089 -12.772 -7.445 4.934 1.00 0.67 N ATOM 527 CA ASP A2089 -13.729 -6.515 5.526 1.00 0.73 C ATOM 528 C ASP A2089 -13.752 -5.206 4.748 1.00 0.66 C ATOM 529 O ASP A2089 -14.581 -4.333 5.004 1.00 0.73 O ATOM 530 CB ASP A2089 -13.387 -6.232 6.991 1.00 0.85 C ATOM 531 CG ASP A2089 -13.504 -7.458 7.869 1.00 1.59 C ATOM 532 OD1 ASP A2089 -12.458 -7.992 8.292 1.00 2.29 O ATOM 533 OD2 ASP A2089 -14.640 -7.896 8.139 1.00 2.26 O ATOM 0 H ASP A2089 -11.920 -7.578 5.479 1.00 0.67 H new ATOM 0 HA ASP A2089 -14.714 -6.979 5.480 1.00 0.73 H new ATOM 0 HB2 ASP A2089 -12.371 -5.842 7.053 1.00 0.85 H new ATOM 0 HB3 ASP A2089 -14.050 -5.455 7.370 1.00 0.85 H new ATOM 538 N GLY A2090 -12.825 -5.069 3.809 1.00 0.59 N ATOM 539 CA GLY A2090 -12.770 -3.880 2.987 1.00 0.63 C ATOM 540 C GLY A2090 -11.871 -2.819 3.582 1.00 0.70 C ATOM 541 O GLY A2090 -11.936 -1.653 3.201 1.00 0.83 O ATOM 0 H GLY A2090 -12.108 -5.764 3.603 1.00 0.59 H new ATOM 0 HA2 GLY A2090 -12.410 -4.144 1.992 1.00 0.63 H new ATOM 0 HA3 GLY A2090 -13.775 -3.477 2.866 1.00 0.63 H new ATOM 545 N THR A2091 -11.027 -3.229 4.517 1.00 0.70 N ATOM 546 CA THR A2091 -10.120 -2.310 5.182 1.00 0.79 C ATOM 547 C THR A2091 -8.668 -2.710 4.920 1.00 0.60 C ATOM 548 O THR A2091 -8.328 -3.899 4.919 1.00 0.59 O ATOM 549 CB THR A2091 -10.402 -2.246 6.702 1.00 1.05 C ATOM 550 OG1 THR A2091 -9.493 -1.345 7.348 1.00 1.51 O ATOM 551 CG2 THR A2091 -10.297 -3.621 7.341 1.00 0.86 C ATOM 0 H THR A2091 -10.953 -4.196 4.832 1.00 0.70 H new ATOM 0 HA THR A2091 -10.287 -1.315 4.770 1.00 0.79 H new ATOM 0 HB THR A2091 -11.421 -1.881 6.830 1.00 1.05 H new ATOM 0 HG1 THR A2091 -9.688 -1.316 8.308 1.00 1.51 H new ATOM 0 HG21 THR A2091 -10.500 -3.542 8.409 1.00 0.86 H new ATOM 0 HG22 THR A2091 -11.023 -4.292 6.882 1.00 0.86 H new ATOM 0 HG23 THR A2091 -9.292 -4.016 7.191 1.00 0.86 H new ATOM 559 N VAL A2092 -7.822 -1.714 4.669 1.00 0.60 N ATOM 560 CA VAL A2092 -6.420 -1.961 4.350 1.00 0.54 C ATOM 561 C VAL A2092 -5.518 -1.075 5.193 1.00 0.55 C ATOM 562 O VAL A2092 -5.831 0.089 5.440 1.00 0.78 O ATOM 563 CB VAL A2092 -6.108 -1.684 2.863 1.00 0.79 C ATOM 564 CG1 VAL A2092 -4.749 -2.251 2.480 1.00 1.02 C ATOM 565 CG2 VAL A2092 -7.195 -2.237 1.963 1.00 1.18 C ATOM 0 H VAL A2092 -8.084 -0.728 4.681 1.00 0.60 H new ATOM 0 HA VAL A2092 -6.233 -3.013 4.564 1.00 0.54 H new ATOM 0 HB VAL A2092 -6.077 -0.603 2.725 1.00 0.79 H new ATOM 0 HG11 VAL A2092 -4.551 -2.044 1.428 1.00 1.02 H new ATOM 0 HG12 VAL A2092 -3.976 -1.788 3.093 1.00 1.02 H new ATOM 0 HG13 VAL A2092 -4.745 -3.329 2.644 1.00 1.02 H new ATOM 0 HG21 VAL A2092 -6.948 -2.027 0.922 1.00 1.18 H new ATOM 0 HG22 VAL A2092 -7.273 -3.315 2.107 1.00 1.18 H new ATOM 0 HG23 VAL A2092 -8.147 -1.768 2.212 1.00 1.18 H new ATOM 575 N THR A2093 -4.410 -1.630 5.644 1.00 0.47 N ATOM 576 CA THR A2093 -3.411 -0.863 6.349 1.00 0.53 C ATOM 577 C THR A2093 -2.239 -0.538 5.428 1.00 0.44 C ATOM 578 O THR A2093 -1.471 -1.426 5.049 1.00 0.41 O ATOM 579 CB THR A2093 -2.892 -1.640 7.572 1.00 0.71 C ATOM 580 OG1 THR A2093 -3.606 -2.881 7.695 1.00 1.46 O ATOM 581 CG2 THR A2093 -3.067 -0.823 8.839 1.00 0.71 C ATOM 0 H THR A2093 -4.181 -2.618 5.532 1.00 0.47 H new ATOM 0 HA THR A2093 -3.876 0.064 6.684 1.00 0.53 H new ATOM 0 HB THR A2093 -1.830 -1.841 7.431 1.00 0.71 H new ATOM 0 HG1 THR A2093 -3.008 -3.626 7.474 1.00 1.46 H new ATOM 0 HG21 THR A2093 -2.694 -1.390 9.692 1.00 0.71 H new ATOM 0 HG22 THR A2093 -2.509 0.109 8.751 1.00 0.71 H new ATOM 0 HG23 THR A2093 -4.124 -0.601 8.985 1.00 0.71 H new ATOM 589 N PHE A2094 -2.122 0.728 5.047 1.00 0.46 N ATOM 590 CA PHE A2094 -0.971 1.186 4.289 1.00 0.42 C ATOM 591 C PHE A2094 0.122 1.564 5.271 1.00 0.43 C ATOM 592 O PHE A2094 0.125 2.673 5.800 1.00 0.52 O ATOM 593 CB PHE A2094 -1.325 2.409 3.415 1.00 0.51 C ATOM 594 CG PHE A2094 -2.136 2.099 2.178 1.00 0.47 C ATOM 595 CD1 PHE A2094 -2.917 0.959 2.112 1.00 1.21 C ATOM 596 CD2 PHE A2094 -2.115 2.953 1.075 1.00 1.26 C ATOM 597 CE1 PHE A2094 -3.654 0.672 0.981 1.00 1.23 C ATOM 598 CE2 PHE A2094 -2.853 2.666 -0.052 1.00 1.27 C ATOM 599 CZ PHE A2094 -3.619 1.524 -0.101 1.00 0.55 C ATOM 0 H PHE A2094 -2.810 1.453 5.251 1.00 0.46 H new ATOM 0 HA PHE A2094 -0.639 0.388 3.625 1.00 0.42 H new ATOM 0 HB2 PHE A2094 -1.879 3.123 4.024 1.00 0.51 H new ATOM 0 HB3 PHE A2094 -0.400 2.899 3.111 1.00 0.51 H new ATOM 0 HD1 PHE A2094 -2.950 0.286 2.956 1.00 1.21 H new ATOM 0 HD2 PHE A2094 -1.513 3.849 1.105 1.00 1.26 H new ATOM 0 HE1 PHE A2094 -4.259 -0.222 0.944 1.00 1.23 H new ATOM 0 HE2 PHE A2094 -2.830 3.338 -0.898 1.00 1.27 H new ATOM 0 HZ PHE A2094 -4.192 1.296 -0.987 1.00 0.55 H new ATOM 609 N THR A2095 1.044 0.648 5.523 1.00 0.37 N ATOM 610 CA THR A2095 2.118 0.915 6.457 1.00 0.39 C ATOM 611 C THR A2095 3.471 0.827 5.757 1.00 0.37 C ATOM 612 O THR A2095 4.093 -0.236 5.704 1.00 0.37 O ATOM 613 CB THR A2095 2.068 -0.066 7.645 1.00 0.47 C ATOM 614 OG1 THR A2095 0.745 -0.074 8.202 1.00 0.58 O ATOM 615 CG2 THR A2095 3.068 0.324 8.725 1.00 0.58 C ATOM 0 H THR A2095 1.068 -0.278 5.096 1.00 0.37 H new ATOM 0 HA THR A2095 1.988 1.927 6.841 1.00 0.39 H new ATOM 0 HB THR A2095 2.328 -1.059 7.279 1.00 0.47 H new ATOM 0 HG1 THR A2095 0.711 -0.699 8.956 1.00 0.58 H new ATOM 0 HG21 THR A2095 3.009 -0.387 9.549 1.00 0.58 H new ATOM 0 HG22 THR A2095 4.075 0.314 8.309 1.00 0.58 H new ATOM 0 HG23 THR A2095 2.837 1.324 9.091 1.00 0.58 H new ATOM 623 N PRO A2096 3.922 1.952 5.188 1.00 0.50 N ATOM 624 CA PRO A2096 5.219 2.054 4.541 1.00 0.61 C ATOM 625 C PRO A2096 6.307 2.496 5.515 1.00 0.69 C ATOM 626 O PRO A2096 6.013 2.983 6.611 1.00 0.81 O ATOM 627 CB PRO A2096 4.961 3.130 3.490 1.00 0.88 C ATOM 628 CG PRO A2096 3.984 4.057 4.134 1.00 0.98 C ATOM 629 CD PRO A2096 3.186 3.230 5.114 1.00 0.69 C ATOM 0 HA PRO A2096 5.576 1.107 4.136 1.00 0.61 H new ATOM 0 HB2 PRO A2096 5.881 3.649 3.219 1.00 0.88 H new ATOM 0 HB3 PRO A2096 4.556 2.701 2.574 1.00 0.88 H new ATOM 0 HG2 PRO A2096 4.500 4.871 4.644 1.00 0.98 H new ATOM 0 HG3 PRO A2096 3.331 4.511 3.388 1.00 0.98 H new ATOM 0 HD2 PRO A2096 3.127 3.714 6.089 1.00 0.69 H new ATOM 0 HD3 PRO A2096 2.162 3.081 4.770 1.00 0.69 H new ATOM 637 N ASP A2097 7.556 2.335 5.120 1.00 0.89 N ATOM 638 CA ASP A2097 8.669 2.752 5.953 1.00 1.14 C ATOM 639 C ASP A2097 9.664 3.555 5.131 1.00 1.37 C ATOM 640 O ASP A2097 10.479 2.993 4.401 1.00 1.39 O ATOM 641 CB ASP A2097 9.359 1.542 6.578 1.00 1.24 C ATOM 642 CG ASP A2097 10.243 1.923 7.746 1.00 2.06 C ATOM 643 OD1 ASP A2097 9.763 1.857 8.897 1.00 2.61 O ATOM 644 OD2 ASP A2097 11.419 2.274 7.530 1.00 2.72 O ATOM 0 H ASP A2097 7.825 1.919 4.229 1.00 0.89 H new ATOM 0 HA ASP A2097 8.282 3.380 6.756 1.00 1.14 H new ATOM 0 HB2 ASP A2097 8.605 0.830 6.913 1.00 1.24 H new ATOM 0 HB3 ASP A2097 9.959 1.038 5.821 1.00 1.24 H new ATOM 649 N LYS A2098 9.588 4.873 5.242 1.00 1.89 N ATOM 650 CA LYS A2098 10.477 5.754 4.493 1.00 2.37 C ATOM 651 C LYS A2098 11.832 5.877 5.178 1.00 2.32 C ATOM 652 O LYS A2098 12.620 6.767 4.859 1.00 2.66 O ATOM 653 CB LYS A2098 9.857 7.142 4.335 1.00 3.03 C ATOM 654 CG LYS A2098 9.547 7.828 5.657 1.00 3.48 C ATOM 655 CD LYS A2098 9.190 9.293 5.457 1.00 4.03 C ATOM 656 CE LYS A2098 10.415 10.202 5.535 1.00 4.43 C ATOM 657 NZ LYS A2098 11.508 9.787 4.612 1.00 4.81 N ATOM 0 H LYS A2098 8.921 5.357 5.843 1.00 1.89 H new ATOM 0 HA LYS A2098 10.621 5.313 3.507 1.00 2.37 H new ATOM 0 HB2 LYS A2098 10.537 7.771 3.760 1.00 3.03 H new ATOM 0 HB3 LYS A2098 8.937 7.056 3.756 1.00 3.03 H new ATOM 0 HG2 LYS A2098 8.720 7.315 6.149 1.00 3.48 H new ATOM 0 HG3 LYS A2098 10.409 7.750 6.319 1.00 3.48 H new ATOM 0 HD2 LYS A2098 8.708 9.418 4.487 1.00 4.03 H new ATOM 0 HD3 LYS A2098 8.467 9.595 6.214 1.00 4.03 H new ATOM 0 HE2 LYS A2098 10.118 11.224 5.301 1.00 4.43 H new ATOM 0 HE3 LYS A2098 10.793 10.207 6.557 1.00 4.43 H new ATOM 0 HZ1 LYS A2098 12.261 10.504 4.621 1.00 4.81 H new ATOM 0 HZ2 LYS A2098 11.896 8.873 4.922 1.00 4.81 H new ATOM 0 HZ3 LYS A2098 11.131 9.694 3.647 1.00 4.81 H new ATOM 671 N GLN A2099 12.091 4.991 6.126 1.00 2.03 N ATOM 672 CA GLN A2099 13.355 4.987 6.846 1.00 2.09 C ATOM 673 C GLN A2099 14.178 3.773 6.433 1.00 1.67 C ATOM 674 O GLN A2099 15.244 3.502 6.992 1.00 1.81 O ATOM 675 CB GLN A2099 13.105 4.968 8.355 1.00 2.41 C ATOM 676 CG GLN A2099 12.128 6.036 8.822 1.00 2.99 C ATOM 677 CD GLN A2099 11.933 6.054 10.327 1.00 3.86 C ATOM 678 OE1 GLN A2099 12.114 4.911 10.971 1.00 4.40 O flip ATOM 679 NE2 GLN A2099 11.631 7.094 10.910 1.00 4.42 N flip ATOM 0 H GLN A2099 11.439 4.262 6.416 1.00 2.03 H new ATOM 0 HA GLN A2099 13.908 5.893 6.598 1.00 2.09 H new ATOM 0 HB2 GLN A2099 12.723 3.988 8.640 1.00 2.41 H new ATOM 0 HB3 GLN A2099 14.054 5.103 8.874 1.00 2.41 H new ATOM 0 HG2 GLN A2099 12.486 7.013 8.497 1.00 2.99 H new ATOM 0 HG3 GLN A2099 11.164 5.873 8.340 1.00 2.99 H new ATOM 0 HE21 GLN A2099 11.500 7.956 10.380 1.00 4.42 H new ATOM 0 HE22 GLN A2099 11.512 7.095 11.923 1.00 4.42 H new ATOM 688 N PHE A2100 13.667 3.043 5.451 1.00 1.40 N ATOM 689 CA PHE A2100 14.321 1.839 4.968 1.00 1.20 C ATOM 690 C PHE A2100 15.300 2.162 3.849 1.00 1.31 C ATOM 691 O PHE A2100 14.930 2.220 2.677 1.00 1.72 O ATOM 692 CB PHE A2100 13.279 0.825 4.481 1.00 1.32 C ATOM 693 CG PHE A2100 13.877 -0.433 3.909 1.00 1.46 C ATOM 694 CD1 PHE A2100 13.648 -0.783 2.588 1.00 1.93 C ATOM 695 CD2 PHE A2100 14.671 -1.258 4.689 1.00 2.04 C ATOM 696 CE1 PHE A2100 14.198 -1.933 2.057 1.00 2.23 C ATOM 697 CE2 PHE A2100 15.223 -2.410 4.163 1.00 2.36 C ATOM 698 CZ PHE A2100 14.987 -2.748 2.846 1.00 2.18 C ATOM 0 H PHE A2100 12.795 3.268 4.972 1.00 1.40 H new ATOM 0 HA PHE A2100 14.880 1.403 5.796 1.00 1.20 H new ATOM 0 HB2 PHE A2100 12.627 0.560 5.313 1.00 1.32 H new ATOM 0 HB3 PHE A2100 12.654 1.296 3.723 1.00 1.32 H new ATOM 0 HD1 PHE A2100 13.032 -0.149 1.967 1.00 1.93 H new ATOM 0 HD2 PHE A2100 14.861 -0.998 5.720 1.00 2.04 H new ATOM 0 HE1 PHE A2100 14.012 -2.195 1.026 1.00 2.23 H new ATOM 0 HE2 PHE A2100 15.839 -3.046 4.782 1.00 2.36 H new ATOM 0 HZ PHE A2100 15.418 -3.648 2.433 1.00 2.18 H new ATOM 708 N VAL A2101 16.550 2.383 4.217 1.00 1.55 N ATOM 709 CA VAL A2101 17.598 2.581 3.233 1.00 1.92 C ATOM 710 C VAL A2101 18.114 1.231 2.759 1.00 2.31 C ATOM 711 O VAL A2101 18.790 0.514 3.498 1.00 2.68 O ATOM 712 CB VAL A2101 18.763 3.424 3.791 1.00 2.35 C ATOM 713 CG1 VAL A2101 19.880 3.553 2.763 1.00 2.67 C ATOM 714 CG2 VAL A2101 18.268 4.798 4.212 1.00 2.45 C ATOM 0 H VAL A2101 16.863 2.430 5.187 1.00 1.55 H new ATOM 0 HA VAL A2101 17.169 3.131 2.395 1.00 1.92 H new ATOM 0 HB VAL A2101 19.164 2.914 4.667 1.00 2.35 H new ATOM 0 HG11 VAL A2101 20.690 4.152 3.179 1.00 2.67 H new ATOM 0 HG12 VAL A2101 20.255 2.562 2.507 1.00 2.67 H new ATOM 0 HG13 VAL A2101 19.495 4.038 1.866 1.00 2.67 H new ATOM 0 HG21 VAL A2101 19.102 5.381 4.604 1.00 2.45 H new ATOM 0 HG22 VAL A2101 17.840 5.310 3.350 1.00 2.45 H new ATOM 0 HG23 VAL A2101 17.507 4.690 4.984 1.00 2.45 H new ATOM 724 N GLY A2102 17.768 0.885 1.534 1.00 2.55 N ATOM 725 CA GLY A2102 18.155 -0.388 0.974 1.00 3.15 C ATOM 726 C GLY A2102 17.448 -0.654 -0.335 1.00 3.22 C ATOM 727 O GLY A2102 17.372 0.226 -1.193 1.00 3.84 O ATOM 0 H GLY A2102 17.217 1.473 0.908 1.00 2.55 H new ATOM 0 HA2 GLY A2102 19.233 -0.405 0.816 1.00 3.15 H new ATOM 0 HA3 GLY A2102 17.924 -1.184 1.682 1.00 3.15 H new ATOM 731 N LYS A2103 16.915 -1.851 -0.490 1.00 2.91 N ATOM 732 CA LYS A2103 16.210 -2.205 -1.709 1.00 3.06 C ATOM 733 C LYS A2103 14.826 -2.760 -1.396 1.00 2.39 C ATOM 734 O LYS A2103 14.686 -3.929 -1.032 1.00 2.33 O ATOM 735 CB LYS A2103 17.006 -3.228 -2.517 1.00 3.80 C ATOM 736 CG LYS A2103 16.357 -3.578 -3.846 1.00 4.59 C ATOM 737 CD LYS A2103 17.125 -4.666 -4.573 1.00 5.33 C ATOM 738 CE LYS A2103 16.471 -5.018 -5.897 1.00 6.21 C ATOM 739 NZ LYS A2103 15.090 -5.540 -5.713 1.00 6.78 N ATOM 0 H LYS A2103 16.956 -2.593 0.209 1.00 2.91 H new ATOM 0 HA LYS A2103 16.097 -1.297 -2.302 1.00 3.06 H new ATOM 0 HB2 LYS A2103 18.007 -2.837 -2.701 1.00 3.80 H new ATOM 0 HB3 LYS A2103 17.122 -4.137 -1.926 1.00 3.80 H new ATOM 0 HG2 LYS A2103 15.332 -3.907 -3.676 1.00 4.59 H new ATOM 0 HG3 LYS A2103 16.306 -2.687 -4.472 1.00 4.59 H new ATOM 0 HD2 LYS A2103 18.149 -4.335 -4.748 1.00 5.33 H new ATOM 0 HD3 LYS A2103 17.180 -5.555 -3.945 1.00 5.33 H new ATOM 0 HE2 LYS A2103 16.443 -4.134 -6.534 1.00 6.21 H new ATOM 0 HE3 LYS A2103 17.075 -5.764 -6.413 1.00 6.21 H new ATOM 0 HZ1 LYS A2103 14.761 -5.971 -6.600 1.00 6.78 H new ATOM 0 HZ2 LYS A2103 15.087 -6.256 -4.959 1.00 6.78 H new ATOM 0 HZ3 LYS A2103 14.456 -4.759 -5.451 1.00 6.78 H new ATOM 753 N PRO A2104 13.789 -1.923 -1.509 1.00 2.06 N ATOM 754 CA PRO A2104 12.406 -2.367 -1.351 1.00 1.50 C ATOM 755 C PRO A2104 11.928 -3.170 -2.560 1.00 1.35 C ATOM 756 O PRO A2104 12.453 -3.020 -3.668 1.00 1.62 O ATOM 757 CB PRO A2104 11.625 -1.061 -1.229 1.00 1.62 C ATOM 758 CG PRO A2104 12.451 -0.046 -1.938 1.00 2.21 C ATOM 759 CD PRO A2104 13.884 -0.474 -1.774 1.00 2.43 C ATOM 0 HA PRO A2104 12.278 -3.029 -0.495 1.00 1.50 H new ATOM 0 HB2 PRO A2104 10.637 -1.149 -1.680 1.00 1.62 H new ATOM 0 HB3 PRO A2104 11.475 -0.787 -0.185 1.00 1.62 H new ATOM 0 HG2 PRO A2104 12.180 0.007 -2.992 1.00 2.21 H new ATOM 0 HG3 PRO A2104 12.292 0.947 -1.517 1.00 2.21 H new ATOM 0 HD2 PRO A2104 14.468 -0.269 -2.671 1.00 2.43 H new ATOM 0 HD3 PRO A2104 14.367 0.053 -0.951 1.00 2.43 H new ATOM 767 N ASP A2105 10.941 -4.027 -2.337 1.00 1.04 N ATOM 768 CA ASP A2105 10.395 -4.864 -3.399 1.00 0.98 C ATOM 769 C ASP A2105 9.357 -4.084 -4.194 1.00 0.79 C ATOM 770 O ASP A2105 8.443 -3.498 -3.612 1.00 0.78 O ATOM 771 CB ASP A2105 9.763 -6.132 -2.816 1.00 1.06 C ATOM 772 CG ASP A2105 9.393 -7.150 -3.883 1.00 1.66 C ATOM 773 OD1 ASP A2105 10.310 -7.814 -4.414 1.00 2.16 O ATOM 774 OD2 ASP A2105 8.189 -7.315 -4.180 1.00 2.33 O ATOM 0 H ASP A2105 10.500 -4.162 -1.427 1.00 1.04 H new ATOM 0 HA ASP A2105 11.209 -5.156 -4.062 1.00 0.98 H new ATOM 0 HB2 ASP A2105 10.458 -6.588 -2.111 1.00 1.06 H new ATOM 0 HB3 ASP A2105 8.870 -5.861 -2.253 1.00 1.06 H new ATOM 779 N PRO A2106 9.513 -4.037 -5.529 1.00 0.77 N ATOM 780 CA PRO A2106 8.578 -3.338 -6.420 1.00 0.73 C ATOM 781 C PRO A2106 7.141 -3.827 -6.273 1.00 0.61 C ATOM 782 O PRO A2106 6.782 -4.893 -6.778 1.00 0.74 O ATOM 783 CB PRO A2106 9.102 -3.655 -7.823 1.00 0.87 C ATOM 784 CG PRO A2106 10.533 -4.008 -7.630 1.00 1.03 C ATOM 785 CD PRO A2106 10.628 -4.649 -6.276 1.00 0.93 C ATOM 0 HA PRO A2106 8.539 -2.273 -6.193 1.00 0.73 H new ATOM 0 HB2 PRO A2106 8.550 -4.480 -8.273 1.00 0.87 H new ATOM 0 HB3 PRO A2106 8.993 -2.798 -8.488 1.00 0.87 H new ATOM 0 HG2 PRO A2106 10.874 -4.691 -8.408 1.00 1.03 H new ATOM 0 HG3 PRO A2106 11.164 -3.121 -7.686 1.00 1.03 H new ATOM 0 HD2 PRO A2106 10.525 -5.732 -6.336 1.00 0.93 H new ATOM 0 HD3 PRO A2106 11.588 -4.446 -5.802 1.00 0.93 H new ATOM 793 N VAL A2107 6.329 -3.047 -5.578 1.00 0.48 N ATOM 794 CA VAL A2107 4.921 -3.363 -5.402 1.00 0.37 C ATOM 795 C VAL A2107 4.094 -2.081 -5.322 1.00 0.35 C ATOM 796 O VAL A2107 4.513 -1.090 -4.717 1.00 0.60 O ATOM 797 CB VAL A2107 4.681 -4.236 -4.142 1.00 0.41 C ATOM 798 CG1 VAL A2107 5.189 -3.551 -2.880 1.00 0.54 C ATOM 799 CG2 VAL A2107 3.205 -4.587 -3.999 1.00 0.46 C ATOM 0 H VAL A2107 6.624 -2.183 -5.123 1.00 0.48 H new ATOM 0 HA VAL A2107 4.603 -3.940 -6.270 1.00 0.37 H new ATOM 0 HB VAL A2107 5.247 -5.158 -4.272 1.00 0.41 H new ATOM 0 HG11 VAL A2107 5.004 -4.192 -2.018 1.00 0.54 H new ATOM 0 HG12 VAL A2107 6.259 -3.367 -2.972 1.00 0.54 H new ATOM 0 HG13 VAL A2107 4.668 -2.603 -2.746 1.00 0.54 H new ATOM 0 HG21 VAL A2107 3.061 -5.199 -3.109 1.00 0.46 H new ATOM 0 HG22 VAL A2107 2.620 -3.672 -3.908 1.00 0.46 H new ATOM 0 HG23 VAL A2107 2.876 -5.142 -4.878 1.00 0.46 H new ATOM 809 N THR A2108 2.941 -2.094 -5.968 1.00 0.32 N ATOM 810 CA THR A2108 2.024 -0.975 -5.920 1.00 0.30 C ATOM 811 C THR A2108 0.752 -1.370 -5.179 1.00 0.30 C ATOM 812 O THR A2108 0.093 -2.346 -5.527 1.00 0.33 O ATOM 813 CB THR A2108 1.668 -0.479 -7.334 1.00 0.33 C ATOM 814 OG1 THR A2108 2.869 -0.156 -8.046 1.00 0.37 O ATOM 815 CG2 THR A2108 0.765 0.747 -7.276 1.00 0.35 C ATOM 0 H THR A2108 2.618 -2.877 -6.537 1.00 0.32 H new ATOM 0 HA THR A2108 2.519 -0.162 -5.388 1.00 0.30 H new ATOM 0 HB THR A2108 1.132 -1.275 -7.851 1.00 0.33 H new ATOM 0 HG1 THR A2108 2.641 0.158 -8.946 1.00 0.37 H new ATOM 0 HG21 THR A2108 0.531 1.074 -8.289 1.00 0.35 H new ATOM 0 HG22 THR A2108 -0.158 0.495 -6.753 1.00 0.35 H new ATOM 0 HG23 THR A2108 1.275 1.550 -6.744 1.00 0.35 H new ATOM 823 N VAL A2109 0.428 -0.616 -4.150 1.00 0.38 N ATOM 824 CA VAL A2109 -0.758 -0.870 -3.350 1.00 0.46 C ATOM 825 C VAL A2109 -1.925 -0.065 -3.927 1.00 0.52 C ATOM 826 O VAL A2109 -1.763 1.121 -4.190 1.00 0.61 O ATOM 827 CB VAL A2109 -0.508 -0.455 -1.883 1.00 0.60 C ATOM 828 CG1 VAL A2109 -1.568 -1.036 -0.970 1.00 0.76 C ATOM 829 CG2 VAL A2109 0.890 -0.872 -1.428 1.00 0.61 C ATOM 0 H VAL A2109 0.975 0.188 -3.843 1.00 0.38 H new ATOM 0 HA VAL A2109 -0.995 -1.934 -3.374 1.00 0.46 H new ATOM 0 HB VAL A2109 -0.571 0.632 -1.825 1.00 0.60 H new ATOM 0 HG11 VAL A2109 -1.371 -0.730 0.057 1.00 0.76 H new ATOM 0 HG12 VAL A2109 -2.549 -0.673 -1.275 1.00 0.76 H new ATOM 0 HG13 VAL A2109 -1.548 -2.124 -1.035 1.00 0.76 H new ATOM 0 HG21 VAL A2109 1.041 -0.568 -0.392 1.00 0.61 H new ATOM 0 HG22 VAL A2109 0.991 -1.954 -1.507 1.00 0.61 H new ATOM 0 HG23 VAL A2109 1.637 -0.391 -2.060 1.00 0.61 H new ATOM 839 N LYS A2110 -3.086 -0.690 -4.144 1.00 0.53 N ATOM 840 CA LYS A2110 -4.184 0.001 -4.826 1.00 0.63 C ATOM 841 C LYS A2110 -5.562 -0.372 -4.271 1.00 0.70 C ATOM 842 O LYS A2110 -6.068 -1.470 -4.510 1.00 0.99 O ATOM 843 CB LYS A2110 -4.169 -0.305 -6.328 1.00 0.67 C ATOM 844 CG LYS A2110 -5.076 0.626 -7.123 1.00 0.85 C ATOM 845 CD LYS A2110 -5.145 0.272 -8.602 1.00 1.03 C ATOM 846 CE LYS A2110 -6.161 -0.828 -8.894 1.00 1.11 C ATOM 847 NZ LYS A2110 -5.690 -2.174 -8.473 1.00 1.63 N ATOM 0 H LYS A2110 -3.288 -1.650 -3.865 1.00 0.53 H new ATOM 0 HA LYS A2110 -4.020 1.064 -4.649 1.00 0.63 H new ATOM 0 HB2 LYS A2110 -3.149 -0.220 -6.702 1.00 0.67 H new ATOM 0 HB3 LYS A2110 -4.483 -1.337 -6.488 1.00 0.67 H new ATOM 0 HG2 LYS A2110 -6.080 0.594 -6.700 1.00 0.85 H new ATOM 0 HG3 LYS A2110 -4.718 1.650 -7.017 1.00 0.85 H new ATOM 0 HD2 LYS A2110 -5.405 1.163 -9.174 1.00 1.03 H new ATOM 0 HD3 LYS A2110 -4.160 -0.048 -8.942 1.00 1.03 H new ATOM 0 HE2 LYS A2110 -7.095 -0.598 -8.382 1.00 1.11 H new ATOM 0 HE3 LYS A2110 -6.378 -0.842 -9.962 1.00 1.11 H new ATOM 0 HZ1 LYS A2110 -6.195 -2.904 -9.015 1.00 1.63 H new ATOM 0 HZ2 LYS A2110 -4.669 -2.256 -8.651 1.00 1.63 H new ATOM 0 HZ3 LYS A2110 -5.876 -2.305 -7.458 1.00 1.63 H new ATOM 861 N ARG A2111 -6.183 0.562 -3.575 1.00 0.52 N ATOM 862 CA ARG A2111 -7.569 0.405 -3.148 1.00 0.54 C ATOM 863 C ARG A2111 -8.347 1.652 -3.544 1.00 0.44 C ATOM 864 O ARG A2111 -7.819 2.762 -3.463 1.00 0.47 O ATOM 865 CB ARG A2111 -7.659 0.177 -1.633 1.00 0.62 C ATOM 866 CG ARG A2111 -7.088 1.321 -0.819 1.00 0.62 C ATOM 867 CD ARG A2111 -7.213 1.092 0.677 1.00 0.87 C ATOM 868 NE ARG A2111 -6.583 2.174 1.440 1.00 1.86 N ATOM 869 CZ ARG A2111 -6.904 2.502 2.692 1.00 2.47 C ATOM 870 NH1 ARG A2111 -7.868 1.854 3.329 1.00 2.41 N ATOM 871 NH2 ARG A2111 -6.267 3.493 3.298 1.00 3.47 N ATOM 0 H ARG A2111 -5.752 1.441 -3.291 1.00 0.52 H new ATOM 0 HA ARG A2111 -7.997 -0.470 -3.637 1.00 0.54 H new ATOM 0 HB2 ARG A2111 -8.703 0.029 -1.356 1.00 0.62 H new ATOM 0 HB3 ARG A2111 -7.129 -0.741 -1.379 1.00 0.62 H new ATOM 0 HG2 ARG A2111 -6.037 1.456 -1.076 1.00 0.62 H new ATOM 0 HG3 ARG A2111 -7.602 2.244 -1.086 1.00 0.62 H new ATOM 0 HD2 ARG A2111 -8.266 1.019 0.948 1.00 0.87 H new ATOM 0 HD3 ARG A2111 -6.749 0.141 0.941 1.00 0.87 H new ATOM 0 HE ARG A2111 -5.848 2.713 0.981 1.00 1.86 H new ATOM 0 HH11 ARG A2111 -8.370 1.099 2.862 1.00 2.41 H new ATOM 0 HH12 ARG A2111 -8.108 2.110 4.287 1.00 2.41 H new ATOM 0 HH21 ARG A2111 -5.533 4.003 2.807 1.00 3.47 H new ATOM 0 HH22 ARG A2111 -6.511 3.746 4.256 1.00 3.47 H new ATOM 885 N VAL A2112 -9.577 1.483 -3.997 1.00 0.35 N ATOM 886 CA VAL A2112 -10.373 2.632 -4.416 1.00 0.28 C ATOM 887 C VAL A2112 -11.351 3.049 -3.320 1.00 0.25 C ATOM 888 O VAL A2112 -11.894 2.209 -2.602 1.00 0.29 O ATOM 889 CB VAL A2112 -11.131 2.365 -5.737 1.00 0.31 C ATOM 890 CG1 VAL A2112 -10.152 2.110 -6.872 1.00 0.40 C ATOM 891 CG2 VAL A2112 -12.096 1.202 -5.598 1.00 0.32 C ATOM 0 H VAL A2112 -10.043 0.580 -4.085 1.00 0.35 H new ATOM 0 HA VAL A2112 -9.676 3.450 -4.595 1.00 0.28 H new ATOM 0 HB VAL A2112 -11.714 3.256 -5.970 1.00 0.31 H new ATOM 0 HG11 VAL A2112 -10.704 1.924 -7.793 1.00 0.40 H new ATOM 0 HG12 VAL A2112 -9.511 2.982 -7.002 1.00 0.40 H new ATOM 0 HG13 VAL A2112 -9.538 1.241 -6.635 1.00 0.40 H new ATOM 0 HG21 VAL A2112 -12.612 1.042 -6.545 1.00 0.32 H new ATOM 0 HG22 VAL A2112 -11.544 0.301 -5.329 1.00 0.32 H new ATOM 0 HG23 VAL A2112 -12.826 1.426 -4.820 1.00 0.32 H new ATOM 901 N ASP A2113 -11.535 4.355 -3.172 1.00 0.26 N ATOM 902 CA ASP A2113 -12.409 4.897 -2.136 1.00 0.31 C ATOM 903 C ASP A2113 -13.865 4.944 -2.596 1.00 0.33 C ATOM 904 O ASP A2113 -14.204 4.398 -3.648 1.00 0.34 O ATOM 905 CB ASP A2113 -11.944 6.297 -1.706 1.00 0.40 C ATOM 906 CG ASP A2113 -11.851 7.284 -2.855 1.00 0.55 C ATOM 907 OD1 ASP A2113 -10.802 7.939 -2.992 1.00 0.85 O ATOM 908 OD2 ASP A2113 -12.817 7.406 -3.629 1.00 1.46 O ATOM 0 H ASP A2113 -11.090 5.061 -3.758 1.00 0.26 H new ATOM 0 HA ASP A2113 -12.348 4.227 -1.278 1.00 0.31 H new ATOM 0 HB2 ASP A2113 -12.634 6.687 -0.958 1.00 0.40 H new ATOM 0 HB3 ASP A2113 -10.968 6.216 -1.227 1.00 0.40 H new ATOM 913 N LYS A2114 -14.721 5.595 -1.807 1.00 0.40 N ATOM 914 CA LYS A2114 -16.143 5.701 -2.132 1.00 0.46 C ATOM 915 C LYS A2114 -16.367 6.349 -3.493 1.00 0.52 C ATOM 916 O LYS A2114 -17.271 5.953 -4.227 1.00 0.65 O ATOM 917 CB LYS A2114 -16.899 6.486 -1.056 1.00 0.55 C ATOM 918 CG LYS A2114 -17.150 5.695 0.217 1.00 0.58 C ATOM 919 CD LYS A2114 -18.072 6.447 1.164 1.00 0.69 C ATOM 920 CE LYS A2114 -18.410 5.616 2.391 1.00 0.83 C ATOM 921 NZ LYS A2114 -19.422 6.279 3.257 1.00 1.72 N ATOM 0 H LYS A2114 -14.453 6.057 -0.938 1.00 0.40 H new ATOM 0 HA LYS A2114 -16.533 4.684 -2.169 1.00 0.46 H new ATOM 0 HB2 LYS A2114 -16.333 7.384 -0.809 1.00 0.55 H new ATOM 0 HB3 LYS A2114 -17.855 6.814 -1.463 1.00 0.55 H new ATOM 0 HG2 LYS A2114 -17.591 4.730 -0.033 1.00 0.58 H new ATOM 0 HG3 LYS A2114 -16.202 5.492 0.714 1.00 0.58 H new ATOM 0 HD2 LYS A2114 -17.596 7.378 1.474 1.00 0.69 H new ATOM 0 HD3 LYS A2114 -18.990 6.716 0.642 1.00 0.69 H new ATOM 0 HE2 LYS A2114 -18.786 4.642 2.076 1.00 0.83 H new ATOM 0 HE3 LYS A2114 -17.503 5.436 2.967 1.00 0.83 H new ATOM 0 HZ1 LYS A2114 -19.622 5.677 4.081 1.00 1.72 H new ATOM 0 HZ2 LYS A2114 -19.055 7.197 3.580 1.00 1.72 H new ATOM 0 HZ3 LYS A2114 -20.298 6.427 2.716 1.00 1.72 H new ATOM 935 N ASN A2115 -15.548 7.334 -3.832 1.00 0.52 N ATOM 936 CA ASN A2115 -15.678 8.021 -5.114 1.00 0.60 C ATOM 937 C ASN A2115 -15.039 7.190 -6.213 1.00 0.54 C ATOM 938 O ASN A2115 -15.451 7.238 -7.375 1.00 0.70 O ATOM 939 CB ASN A2115 -15.027 9.405 -5.060 1.00 0.72 C ATOM 940 CG ASN A2115 -15.669 10.309 -4.029 1.00 0.99 C ATOM 941 OD1 ASN A2115 -16.858 10.183 -3.725 1.00 1.84 O ATOM 942 ND2 ASN A2115 -14.887 11.224 -3.477 1.00 1.11 N ATOM 0 H ASN A2115 -14.789 7.676 -3.242 1.00 0.52 H new ATOM 0 HA ASN A2115 -16.739 8.150 -5.329 1.00 0.60 H new ATOM 0 HB2 ASN A2115 -13.967 9.295 -4.832 1.00 0.72 H new ATOM 0 HB3 ASN A2115 -15.095 9.873 -6.042 1.00 0.72 H new ATOM 0 HD21 ASN A2115 -15.263 11.858 -2.772 1.00 1.11 H new ATOM 0 HD22 ASN A2115 -13.909 11.295 -3.757 1.00 1.11 H new ATOM 949 N GLY A2116 -14.028 6.429 -5.831 1.00 0.38 N ATOM 950 CA GLY A2116 -13.377 5.531 -6.753 1.00 0.39 C ATOM 951 C GLY A2116 -11.957 5.948 -7.058 1.00 0.38 C ATOM 952 O GLY A2116 -11.397 5.560 -8.085 1.00 0.44 O ATOM 0 H GLY A2116 -13.644 6.419 -4.886 1.00 0.38 H new ATOM 0 HA2 GLY A2116 -13.375 4.524 -6.335 1.00 0.39 H new ATOM 0 HA3 GLY A2116 -13.948 5.490 -7.681 1.00 0.39 H new ATOM 956 N THR A2117 -11.369 6.738 -6.172 1.00 0.36 N ATOM 957 CA THR A2117 -9.992 7.160 -6.336 1.00 0.38 C ATOM 958 C THR A2117 -9.047 6.125 -5.729 1.00 0.33 C ATOM 959 O THR A2117 -9.151 5.797 -4.547 1.00 0.33 O ATOM 960 CB THR A2117 -9.755 8.533 -5.685 1.00 0.44 C ATOM 961 OG1 THR A2117 -10.614 9.510 -6.287 1.00 0.57 O ATOM 962 CG2 THR A2117 -8.306 8.971 -5.827 1.00 0.54 C ATOM 0 H THR A2117 -11.826 7.098 -5.334 1.00 0.36 H new ATOM 0 HA THR A2117 -9.790 7.247 -7.403 1.00 0.38 H new ATOM 0 HB THR A2117 -9.982 8.446 -4.622 1.00 0.44 H new ATOM 0 HG1 THR A2117 -10.461 10.383 -5.868 1.00 0.57 H new ATOM 0 HG21 THR A2117 -8.173 9.945 -5.356 1.00 0.54 H new ATOM 0 HG22 THR A2117 -7.656 8.242 -5.343 1.00 0.54 H new ATOM 0 HG23 THR A2117 -8.049 9.040 -6.884 1.00 0.54 H new ATOM 970 N PRO A2118 -8.141 5.561 -6.541 1.00 0.38 N ATOM 971 CA PRO A2118 -7.164 4.586 -6.067 1.00 0.40 C ATOM 972 C PRO A2118 -6.061 5.227 -5.228 1.00 0.35 C ATOM 973 O PRO A2118 -5.141 5.848 -5.764 1.00 0.39 O ATOM 974 CB PRO A2118 -6.569 3.993 -7.355 1.00 0.53 C ATOM 975 CG PRO A2118 -7.404 4.519 -8.475 1.00 0.61 C ATOM 976 CD PRO A2118 -8.009 5.799 -7.983 1.00 0.51 C ATOM 0 HA PRO A2118 -7.629 3.843 -5.419 1.00 0.40 H new ATOM 0 HB2 PRO A2118 -5.526 4.287 -7.474 1.00 0.53 H new ATOM 0 HB3 PRO A2118 -6.592 2.904 -7.330 1.00 0.53 H new ATOM 0 HG2 PRO A2118 -6.798 4.692 -9.364 1.00 0.61 H new ATOM 0 HG3 PRO A2118 -8.179 3.804 -8.752 1.00 0.61 H new ATOM 0 HD2 PRO A2118 -7.370 6.656 -8.195 1.00 0.51 H new ATOM 0 HD3 PRO A2118 -8.974 5.997 -8.451 1.00 0.51 H new ATOM 984 N VAL A2119 -6.164 5.088 -3.914 1.00 0.33 N ATOM 985 CA VAL A2119 -5.089 5.494 -3.022 1.00 0.33 C ATOM 986 C VAL A2119 -3.977 4.467 -3.109 1.00 0.36 C ATOM 987 O VAL A2119 -4.149 3.303 -2.749 1.00 0.39 O ATOM 988 CB VAL A2119 -5.567 5.681 -1.561 1.00 0.39 C ATOM 989 CG1 VAL A2119 -6.434 6.922 -1.444 1.00 0.52 C ATOM 990 CG2 VAL A2119 -6.335 4.472 -1.066 1.00 0.60 C ATOM 0 H VAL A2119 -6.980 4.698 -3.443 1.00 0.33 H new ATOM 0 HA VAL A2119 -4.722 6.470 -3.341 1.00 0.33 H new ATOM 0 HB VAL A2119 -4.680 5.798 -0.938 1.00 0.39 H new ATOM 0 HG11 VAL A2119 -6.763 7.040 -0.411 1.00 0.52 H new ATOM 0 HG12 VAL A2119 -5.858 7.798 -1.744 1.00 0.52 H new ATOM 0 HG13 VAL A2119 -7.304 6.820 -2.092 1.00 0.52 H new ATOM 0 HG21 VAL A2119 -6.654 4.640 -0.037 1.00 0.60 H new ATOM 0 HG22 VAL A2119 -7.210 4.314 -1.696 1.00 0.60 H new ATOM 0 HG23 VAL A2119 -5.694 3.592 -1.108 1.00 0.60 H new ATOM 1000 N THR A2120 -2.851 4.894 -3.647 1.00 0.39 N ATOM 1001 CA THR A2120 -1.796 3.971 -3.992 1.00 0.44 C ATOM 1002 C THR A2120 -0.503 4.259 -3.251 1.00 0.53 C ATOM 1003 O THR A2120 -0.251 5.382 -2.808 1.00 0.67 O ATOM 1004 CB THR A2120 -1.515 4.001 -5.507 1.00 0.52 C ATOM 1005 OG1 THR A2120 -1.274 5.350 -5.933 1.00 0.61 O ATOM 1006 CG2 THR A2120 -2.680 3.421 -6.291 1.00 0.55 C ATOM 0 H THR A2120 -2.647 5.872 -3.853 1.00 0.39 H new ATOM 0 HA THR A2120 -2.149 2.984 -3.694 1.00 0.44 H new ATOM 0 HB THR A2120 -0.632 3.392 -5.699 1.00 0.52 H new ATOM 0 HG1 THR A2120 -1.094 5.362 -6.896 1.00 0.61 H new ATOM 0 HG21 THR A2120 -2.454 3.455 -7.357 1.00 0.55 H new ATOM 0 HG22 THR A2120 -2.844 2.387 -5.988 1.00 0.55 H new ATOM 0 HG23 THR A2120 -3.579 4.004 -6.092 1.00 0.55 H new ATOM 1014 N ALA A2121 0.293 3.220 -3.105 1.00 0.53 N ATOM 1015 CA ALA A2121 1.663 3.353 -2.663 1.00 0.65 C ATOM 1016 C ALA A2121 2.541 2.574 -3.625 1.00 0.73 C ATOM 1017 O ALA A2121 2.281 1.401 -3.890 1.00 0.69 O ATOM 1018 CB ALA A2121 1.828 2.843 -1.239 1.00 0.70 C ATOM 0 H ALA A2121 0.006 2.259 -3.290 1.00 0.53 H new ATOM 0 HA ALA A2121 1.954 4.403 -2.659 1.00 0.65 H new ATOM 0 HB1 ALA A2121 2.868 2.954 -0.931 1.00 0.70 H new ATOM 0 HB2 ALA A2121 1.188 3.418 -0.570 1.00 0.70 H new ATOM 0 HB3 ALA A2121 1.547 1.791 -1.195 1.00 0.70 H new ATOM 1024 N THR A2122 3.561 3.218 -4.154 1.00 0.98 N ATOM 1025 CA THR A2122 4.391 2.604 -5.172 1.00 1.15 C ATOM 1026 C THR A2122 5.810 2.423 -4.664 1.00 0.99 C ATOM 1027 O THR A2122 6.577 3.379 -4.570 1.00 1.22 O ATOM 1028 CB THR A2122 4.403 3.447 -6.462 1.00 1.63 C ATOM 1029 OG1 THR A2122 3.054 3.749 -6.858 1.00 2.19 O ATOM 1030 CG2 THR A2122 5.112 2.708 -7.589 1.00 2.08 C ATOM 0 H THR A2122 3.836 4.166 -3.897 1.00 0.98 H new ATOM 0 HA THR A2122 3.966 1.627 -5.401 1.00 1.15 H new ATOM 0 HB THR A2122 4.943 4.372 -6.261 1.00 1.63 H new ATOM 0 HG1 THR A2122 3.066 4.286 -7.677 1.00 2.19 H new ATOM 0 HG21 THR A2122 5.107 3.324 -8.488 1.00 2.08 H new ATOM 0 HG22 THR A2122 6.142 2.501 -7.297 1.00 2.08 H new ATOM 0 HG23 THR A2122 4.596 1.769 -7.790 1.00 2.08 H new ATOM 1038 N TYR A2123 6.149 1.196 -4.316 1.00 0.85 N ATOM 1039 CA TYR A2123 7.469 0.899 -3.811 1.00 0.77 C ATOM 1040 C TYR A2123 8.361 0.342 -4.903 1.00 0.94 C ATOM 1041 O TYR A2123 7.962 -0.536 -5.665 1.00 1.20 O ATOM 1042 CB TYR A2123 7.383 -0.057 -2.629 1.00 0.83 C ATOM 1043 CG TYR A2123 7.479 0.658 -1.307 1.00 1.21 C ATOM 1044 CD1 TYR A2123 8.696 0.772 -0.651 1.00 1.93 C ATOM 1045 CD2 TYR A2123 6.360 1.232 -0.723 1.00 1.82 C ATOM 1046 CE1 TYR A2123 8.799 1.436 0.551 1.00 2.36 C ATOM 1047 CE2 TYR A2123 6.452 1.899 0.482 1.00 2.26 C ATOM 1048 CZ TYR A2123 7.676 1.996 1.116 1.00 2.25 C ATOM 1049 OH TYR A2123 7.781 2.659 2.313 1.00 2.81 O ATOM 0 H TYR A2123 5.526 0.391 -4.375 1.00 0.85 H new ATOM 0 HA TYR A2123 7.919 1.829 -3.465 1.00 0.77 H new ATOM 0 HB2 TYR A2123 6.442 -0.605 -2.676 1.00 0.83 H new ATOM 0 HB3 TYR A2123 8.184 -0.793 -2.701 1.00 0.83 H new ATOM 0 HD1 TYR A2123 9.579 0.332 -1.091 1.00 1.93 H new ATOM 0 HD2 TYR A2123 5.403 1.156 -1.218 1.00 1.82 H new ATOM 0 HE1 TYR A2123 9.755 1.517 1.047 1.00 2.36 H new ATOM 0 HE2 TYR A2123 5.573 2.342 0.926 1.00 2.26 H new ATOM 0 HH TYR A2123 7.813 3.625 2.150 1.00 2.81 H new ATOM 1059 N SER A2124 9.560 0.891 -4.987 1.00 1.07 N ATOM 1060 CA SER A2124 10.536 0.517 -5.998 1.00 1.29 C ATOM 1061 C SER A2124 11.928 0.884 -5.485 1.00 1.24 C ATOM 1062 O SER A2124 12.035 1.635 -4.519 1.00 1.31 O ATOM 1063 CB SER A2124 10.226 1.254 -7.307 1.00 1.66 C ATOM 1064 OG SER A2124 8.910 0.970 -7.752 1.00 2.06 O ATOM 0 H SER A2124 9.888 1.616 -4.349 1.00 1.07 H new ATOM 0 HA SER A2124 10.495 -0.555 -6.193 1.00 1.29 H new ATOM 0 HB2 SER A2124 10.340 2.328 -7.159 1.00 1.66 H new ATOM 0 HB3 SER A2124 10.944 0.960 -8.073 1.00 1.66 H new ATOM 0 HG SER A2124 8.736 1.453 -8.587 1.00 2.06 H new ATOM 1070 N PRO A2125 13.007 0.364 -6.114 1.00 1.46 N ATOM 1071 CA PRO A2125 14.398 0.593 -5.661 1.00 1.71 C ATOM 1072 C PRO A2125 14.803 2.071 -5.608 1.00 1.73 C ATOM 1073 O PRO A2125 15.898 2.403 -5.158 1.00 2.16 O ATOM 1074 CB PRO A2125 15.242 -0.143 -6.705 1.00 2.09 C ATOM 1075 CG PRO A2125 14.323 -1.153 -7.295 1.00 2.09 C ATOM 1076 CD PRO A2125 12.968 -0.512 -7.301 1.00 1.75 C ATOM 0 HA PRO A2125 14.531 0.241 -4.638 1.00 1.71 H new ATOM 0 HB2 PRO A2125 15.617 0.542 -7.465 1.00 2.09 H new ATOM 0 HB3 PRO A2125 16.110 -0.618 -6.248 1.00 2.09 H new ATOM 0 HG2 PRO A2125 14.633 -1.423 -8.305 1.00 2.09 H new ATOM 0 HG3 PRO A2125 14.320 -2.071 -6.707 1.00 2.09 H new ATOM 0 HD2 PRO A2125 12.795 0.056 -8.215 1.00 1.75 H new ATOM 0 HD3 PRO A2125 12.171 -1.253 -7.230 1.00 1.75 H new ATOM 1084 N GLU A2126 13.927 2.945 -6.083 1.00 1.86 N ATOM 1085 CA GLU A2126 14.148 4.382 -5.993 1.00 2.08 C ATOM 1086 C GLU A2126 13.750 4.873 -4.599 1.00 1.98 C ATOM 1087 O GLU A2126 14.401 5.738 -4.015 1.00 2.37 O ATOM 1088 CB GLU A2126 13.316 5.097 -7.067 1.00 2.47 C ATOM 1089 CG GLU A2126 13.940 6.379 -7.605 1.00 3.11 C ATOM 1090 CD GLU A2126 14.140 7.444 -6.548 1.00 3.80 C ATOM 1091 OE1 GLU A2126 13.154 8.109 -6.167 1.00 4.26 O ATOM 1092 OE2 GLU A2126 15.291 7.636 -6.107 1.00 4.33 O ATOM 0 H GLU A2126 13.052 2.683 -6.537 1.00 1.86 H new ATOM 0 HA GLU A2126 15.202 4.603 -6.158 1.00 2.08 H new ATOM 0 HB2 GLU A2126 13.154 4.411 -7.898 1.00 2.47 H new ATOM 0 HB3 GLU A2126 12.336 5.332 -6.652 1.00 2.47 H new ATOM 0 HG2 GLU A2126 14.903 6.143 -8.058 1.00 3.11 H new ATOM 0 HG3 GLU A2126 13.305 6.778 -8.396 1.00 3.11 H new ATOM 1099 N PHE A2127 12.697 4.271 -4.059 1.00 2.04 N ATOM 1100 CA PHE A2127 12.128 4.691 -2.783 1.00 2.23 C ATOM 1101 C PHE A2127 12.849 4.015 -1.623 1.00 2.57 C ATOM 1102 O PHE A2127 12.287 3.161 -0.940 1.00 3.09 O ATOM 1103 CB PHE A2127 10.633 4.356 -2.735 1.00 2.24 C ATOM 1104 CG PHE A2127 9.826 5.013 -3.822 1.00 2.48 C ATOM 1105 CD1 PHE A2127 9.139 6.191 -3.577 1.00 2.99 C ATOM 1106 CD2 PHE A2127 9.755 4.451 -5.088 1.00 2.99 C ATOM 1107 CE1 PHE A2127 8.395 6.795 -4.574 1.00 3.64 C ATOM 1108 CE2 PHE A2127 9.014 5.051 -6.088 1.00 3.62 C ATOM 1109 CZ PHE A2127 8.334 6.224 -5.831 1.00 3.83 C ATOM 0 H PHE A2127 12.215 3.482 -4.490 1.00 2.04 H new ATOM 0 HA PHE A2127 12.255 5.770 -2.690 1.00 2.23 H new ATOM 0 HB2 PHE A2127 10.510 3.275 -2.808 1.00 2.24 H new ATOM 0 HB3 PHE A2127 10.234 4.658 -1.767 1.00 2.24 H new ATOM 0 HD1 PHE A2127 9.185 6.642 -2.597 1.00 2.99 H new ATOM 0 HD2 PHE A2127 10.285 3.533 -5.295 1.00 2.99 H new ATOM 0 HE1 PHE A2127 7.862 7.712 -4.370 1.00 3.64 H new ATOM 0 HE2 PHE A2127 8.967 4.603 -7.069 1.00 3.62 H new ATOM 0 HZ PHE A2127 7.755 6.695 -6.611 1.00 3.83 H new ATOM 1119 N THR A2128 14.100 4.391 -1.419 1.00 2.82 N ATOM 1120 CA THR A2128 14.898 3.833 -0.341 1.00 3.38 C ATOM 1121 C THR A2128 15.314 4.919 0.654 1.00 2.89 C ATOM 1122 O THR A2128 14.675 5.107 1.689 1.00 3.03 O ATOM 1123 CB THR A2128 16.136 3.068 -0.892 1.00 4.34 C ATOM 1124 OG1 THR A2128 17.245 3.134 0.012 1.00 4.91 O ATOM 1125 CG2 THR A2128 16.556 3.578 -2.267 1.00 5.11 C ATOM 0 H THR A2128 14.587 5.083 -1.988 1.00 2.82 H new ATOM 0 HA THR A2128 14.278 3.113 0.193 1.00 3.38 H new ATOM 0 HB THR A2128 15.832 2.026 -0.992 1.00 4.34 H new ATOM 0 HG1 THR A2128 18.004 2.642 -0.365 1.00 4.91 H new ATOM 0 HG21 THR A2128 17.424 3.017 -2.614 1.00 5.11 H new ATOM 0 HG22 THR A2128 15.734 3.447 -2.970 1.00 5.11 H new ATOM 0 HG23 THR A2128 16.811 4.636 -2.200 1.00 5.11 H new ATOM 1133 N LYS A2129 16.357 5.657 0.320 1.00 2.90 N ATOM 1134 CA LYS A2129 16.860 6.716 1.176 1.00 2.79 C ATOM 1135 C LYS A2129 16.146 8.025 0.882 1.00 3.43 C ATOM 1136 O LYS A2129 16.768 9.063 0.651 1.00 3.99 O ATOM 1137 CB LYS A2129 18.368 6.865 0.994 1.00 3.05 C ATOM 1138 CG LYS A2129 18.810 6.966 -0.460 1.00 3.76 C ATOM 1139 CD LYS A2129 20.315 7.133 -0.583 1.00 4.33 C ATOM 1140 CE LYS A2129 21.054 5.934 -0.014 1.00 4.72 C ATOM 1141 NZ LYS A2129 22.522 6.038 -0.208 1.00 5.22 N ATOM 0 H LYS A2129 16.878 5.540 -0.549 1.00 2.90 H new ATOM 0 HA LYS A2129 16.662 6.452 2.215 1.00 2.79 H new ATOM 0 HB2 LYS A2129 18.702 7.755 1.527 1.00 3.05 H new ATOM 0 HB3 LYS A2129 18.865 6.012 1.456 1.00 3.05 H new ATOM 0 HG2 LYS A2129 18.499 6.070 -0.997 1.00 3.76 H new ATOM 0 HG3 LYS A2129 18.311 7.811 -0.934 1.00 3.76 H new ATOM 0 HD2 LYS A2129 20.584 7.264 -1.631 1.00 4.33 H new ATOM 0 HD3 LYS A2129 20.626 8.037 -0.059 1.00 4.33 H new ATOM 0 HE2 LYS A2129 20.835 5.846 1.050 1.00 4.72 H new ATOM 0 HE3 LYS A2129 20.689 5.024 -0.491 1.00 4.72 H new ATOM 0 HZ1 LYS A2129 22.986 5.199 0.195 1.00 5.22 H new ATOM 0 HZ2 LYS A2129 22.735 6.096 -1.224 1.00 5.22 H new ATOM 0 HZ3 LYS A2129 22.876 6.892 0.269 1.00 5.22 H new ATOM 1155 N VAL A2130 14.831 7.963 0.902 1.00 3.76 N ATOM 1156 CA VAL A2130 14.003 9.110 0.584 1.00 4.65 C ATOM 1157 C VAL A2130 13.239 9.566 1.819 1.00 5.15 C ATOM 1158 O VAL A2130 12.168 8.996 2.107 1.00 5.63 O ATOM 1159 CB VAL A2130 13.008 8.792 -0.552 1.00 5.31 C ATOM 1160 CG1 VAL A2130 12.257 10.046 -0.975 1.00 5.79 C ATOM 1161 CG2 VAL A2130 13.733 8.172 -1.737 1.00 5.88 C ATOM 1162 OXT VAL A2130 13.720 10.490 2.505 1.00 5.44 O ATOM 0 H VAL A2130 14.307 7.120 1.138 1.00 3.76 H new ATOM 0 HA VAL A2130 14.663 9.909 0.246 1.00 4.65 H new ATOM 0 HB VAL A2130 12.280 8.070 -0.180 1.00 5.31 H new ATOM 0 HG11 VAL A2130 11.561 9.800 -1.777 1.00 5.79 H new ATOM 0 HG12 VAL A2130 11.704 10.444 -0.124 1.00 5.79 H new ATOM 0 HG13 VAL A2130 12.967 10.794 -1.328 1.00 5.79 H new ATOM 0 HG21 VAL A2130 13.016 7.954 -2.529 1.00 5.88 H new ATOM 0 HG22 VAL A2130 14.484 8.869 -2.109 1.00 5.88 H new ATOM 0 HG23 VAL A2130 14.219 7.248 -1.423 1.00 5.88 H new TER 1172 VAL A2130