USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 522 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A2115 ASN :FLIP amide:sc= 0.891 F(o=1.2,f=1.8) USER MOD Set 1.2: A2117 THR OG1 : rot 180:sc= 0.956 USER MOD Set 2.1: A2108 THR OG1 : rot 180:sc= -0.351 USER MOD Set 2.2: A2122 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A2093 THR OG1 : rot -97:sc= 0.14 USER MOD Set 3.2: A2095 THR OG1 : rot 180:sc= 0.129 USER MOD Set 4.1: A2081 GLN : amide:sc= -0.214 K(o=0.91,f=-3!) USER MOD Set 4.2: A2084 TYR OH : rot 104:sc= 1.12 USER MOD Set 5.1: A2077 THR OG1 : rot 180:sc= 0.496 USER MOD Set 5.2: A2083 THR OG1 : rot -123:sc= 0.0149 USER MOD Single : A2064 THR OG1 : rot 18:sc= 1.17 USER MOD Single : A2068 THR OG1 : rot 180:sc= 0 USER MOD Single : A2073 SER OG : rot 180:sc= -0.0439 USER MOD Single : A2074 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0427) USER MOD Single : A2076 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2085 THR OG1 : rot 180:sc= -0.0127 USER MOD Single : A2091 THR OG1 : rot 180:sc= 0 USER MOD Single : A2098 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2099 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A2103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2110 LYS NZ :NH3+ -151:sc= 1.21 (180deg=1.14) USER MOD Single : A2114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2120 THR OG1 : rot 180:sc= 0 USER MOD Single : A2123 TYR OH : rot 180:sc= 0 USER MOD Single : A2124 SER OG : rot 180:sc= -0.0742 USER MOD ----------------------------------------------------------------- ATOM 32 N ASP A2056 -8.002 7.557 3.002 1.00 1.08 N ATOM 33 CA ASP A2056 -8.109 8.950 2.618 1.00 1.00 C ATOM 34 C ASP A2056 -9.068 9.665 3.559 1.00 1.03 C ATOM 35 O ASP A2056 -10.227 9.273 3.690 1.00 1.04 O ATOM 36 CB ASP A2056 -8.579 9.090 1.168 1.00 1.12 C ATOM 37 CG ASP A2056 -8.415 10.504 0.662 1.00 1.80 C ATOM 38 OD1 ASP A2056 -7.304 10.849 0.207 1.00 2.41 O ATOM 39 OD2 ASP A2056 -9.391 11.277 0.715 1.00 2.42 O ATOM 0 HA ASP A2056 -7.122 9.407 2.691 1.00 1.00 H new ATOM 0 HB2 ASP A2056 -8.012 8.408 0.534 1.00 1.12 H new ATOM 0 HB3 ASP A2056 -9.626 8.796 1.095 1.00 1.12 H new ATOM 44 N PRO A2057 -8.585 10.709 4.247 1.00 1.20 N ATOM 45 CA PRO A2057 -9.373 11.437 5.248 1.00 1.36 C ATOM 46 C PRO A2057 -10.529 12.220 4.632 1.00 1.24 C ATOM 47 O PRO A2057 -11.478 12.595 5.324 1.00 1.34 O ATOM 48 CB PRO A2057 -8.357 12.388 5.885 1.00 1.72 C ATOM 49 CG PRO A2057 -7.280 12.547 4.868 1.00 1.71 C ATOM 50 CD PRO A2057 -7.224 11.253 4.109 1.00 1.41 C ATOM 0 HA PRO A2057 -9.844 10.759 5.960 1.00 1.36 H new ATOM 0 HB2 PRO A2057 -8.814 13.347 6.128 1.00 1.72 H new ATOM 0 HB3 PRO A2057 -7.963 11.978 6.815 1.00 1.72 H new ATOM 0 HG2 PRO A2057 -7.496 13.381 4.200 1.00 1.71 H new ATOM 0 HG3 PRO A2057 -6.323 12.760 5.345 1.00 1.71 H new ATOM 0 HD2 PRO A2057 -6.961 11.413 3.063 1.00 1.41 H new ATOM 0 HD3 PRO A2057 -6.478 10.576 4.526 1.00 1.41 H new ATOM 58 N LEU A2058 -10.451 12.459 3.331 1.00 1.18 N ATOM 59 CA LEU A2058 -11.493 13.195 2.633 1.00 1.17 C ATOM 60 C LEU A2058 -12.589 12.249 2.167 1.00 1.00 C ATOM 61 O LEU A2058 -13.765 12.616 2.135 1.00 1.06 O ATOM 62 CB LEU A2058 -10.926 13.967 1.432 1.00 1.35 C ATOM 63 CG LEU A2058 -10.116 15.229 1.762 1.00 1.71 C ATOM 64 CD1 LEU A2058 -8.804 14.885 2.450 1.00 2.34 C ATOM 65 CD2 LEU A2058 -9.852 16.029 0.499 1.00 2.10 C ATOM 0 H LEU A2058 -9.678 12.154 2.739 1.00 1.18 H new ATOM 0 HA LEU A2058 -11.914 13.916 3.334 1.00 1.17 H new ATOM 0 HB2 LEU A2058 -10.291 13.292 0.859 1.00 1.35 H new ATOM 0 HB3 LEU A2058 -11.755 14.251 0.784 1.00 1.35 H new ATOM 0 HG LEU A2058 -10.706 15.833 2.451 1.00 1.71 H new ATOM 0 HD11 LEU A2058 -8.257 15.802 2.669 1.00 2.34 H new ATOM 0 HD12 LEU A2058 -9.009 14.354 3.380 1.00 2.34 H new ATOM 0 HD13 LEU A2058 -8.205 14.252 1.795 1.00 2.34 H new ATOM 0 HD21 LEU A2058 -9.277 16.921 0.747 1.00 2.10 H new ATOM 0 HD22 LEU A2058 -9.289 15.419 -0.207 1.00 2.10 H new ATOM 0 HD23 LEU A2058 -10.801 16.322 0.049 1.00 2.10 H new ATOM 77 N VAL A2059 -12.205 11.026 1.817 1.00 0.86 N ATOM 78 CA VAL A2059 -13.152 10.045 1.323 1.00 0.74 C ATOM 79 C VAL A2059 -12.899 8.701 1.980 1.00 0.66 C ATOM 80 O VAL A2059 -12.121 7.896 1.464 1.00 0.62 O ATOM 81 CB VAL A2059 -13.064 9.855 -0.206 1.00 0.75 C ATOM 82 CG1 VAL A2059 -14.341 9.227 -0.741 1.00 0.80 C ATOM 83 CG2 VAL A2059 -12.761 11.165 -0.910 1.00 0.87 C ATOM 0 H VAL A2059 -11.242 10.694 1.868 1.00 0.86 H new ATOM 0 HA VAL A2059 -14.145 10.422 1.569 1.00 0.74 H new ATOM 0 HB VAL A2059 -12.237 9.176 -0.413 1.00 0.75 H new ATOM 0 HG11 VAL A2059 -14.260 9.101 -1.821 1.00 0.80 H new ATOM 0 HG12 VAL A2059 -14.492 8.254 -0.273 1.00 0.80 H new ATOM 0 HG13 VAL A2059 -15.188 9.875 -0.514 1.00 0.80 H new ATOM 0 HG21 VAL A2059 -12.706 10.996 -1.985 1.00 0.87 H new ATOM 0 HG22 VAL A2059 -13.551 11.884 -0.696 1.00 0.87 H new ATOM 0 HG23 VAL A2059 -11.808 11.557 -0.555 1.00 0.87 H new ATOM 93 N PRO A2060 -13.511 8.468 3.151 1.00 0.71 N ATOM 94 CA PRO A2060 -13.471 7.177 3.838 1.00 0.72 C ATOM 95 C PRO A2060 -13.560 5.995 2.875 1.00 0.59 C ATOM 96 O PRO A2060 -14.539 5.855 2.135 1.00 0.58 O ATOM 97 CB PRO A2060 -14.713 7.257 4.710 1.00 0.87 C ATOM 98 CG PRO A2060 -14.768 8.684 5.118 1.00 1.04 C ATOM 99 CD PRO A2060 -14.281 9.465 3.924 1.00 0.86 C ATOM 0 HA PRO A2060 -12.540 7.011 4.381 1.00 0.72 H new ATOM 0 HB2 PRO A2060 -15.607 6.963 4.160 1.00 0.87 H new ATOM 0 HB3 PRO A2060 -14.639 6.596 5.574 1.00 0.87 H new ATOM 0 HG2 PRO A2060 -15.783 8.975 5.390 1.00 1.04 H new ATOM 0 HG3 PRO A2060 -14.139 8.867 5.989 1.00 1.04 H new ATOM 0 HD2 PRO A2060 -15.110 9.870 3.344 1.00 0.86 H new ATOM 0 HD3 PRO A2060 -13.659 10.309 4.223 1.00 0.86 H new ATOM 107 N ILE A2061 -12.526 5.160 2.886 1.00 0.62 N ATOM 108 CA ILE A2061 -12.424 4.032 1.965 1.00 0.56 C ATOM 109 C ILE A2061 -13.638 3.117 2.067 1.00 0.51 C ATOM 110 O ILE A2061 -13.966 2.617 3.147 1.00 0.57 O ATOM 111 CB ILE A2061 -11.142 3.211 2.225 1.00 0.69 C ATOM 112 CG1 ILE A2061 -9.900 4.094 2.067 1.00 0.77 C ATOM 113 CG2 ILE A2061 -11.067 2.007 1.293 1.00 0.75 C ATOM 114 CD1 ILE A2061 -9.814 4.806 0.733 1.00 0.76 C ATOM 0 H ILE A2061 -11.739 5.245 3.529 1.00 0.62 H new ATOM 0 HA ILE A2061 -12.382 4.449 0.959 1.00 0.56 H new ATOM 0 HB ILE A2061 -11.177 2.842 3.250 1.00 0.69 H new ATOM 0 HG12 ILE A2061 -9.892 4.837 2.865 1.00 0.77 H new ATOM 0 HG13 ILE A2061 -9.010 3.478 2.196 1.00 0.77 H new ATOM 0 HG21 ILE A2061 -10.155 1.446 1.496 1.00 0.75 H new ATOM 0 HG22 ILE A2061 -11.933 1.365 1.457 1.00 0.75 H new ATOM 0 HG23 ILE A2061 -11.060 2.348 0.258 1.00 0.75 H new ATOM 0 HD11 ILE A2061 -8.907 5.410 0.701 1.00 0.76 H new ATOM 0 HD12 ILE A2061 -9.789 4.070 -0.071 1.00 0.76 H new ATOM 0 HD13 ILE A2061 -10.684 5.451 0.608 1.00 0.76 H new ATOM 126 N ASP A2062 -14.301 2.909 0.936 1.00 0.45 N ATOM 127 CA ASP A2062 -15.482 2.061 0.888 1.00 0.43 C ATOM 128 C ASP A2062 -15.106 0.610 1.139 1.00 0.43 C ATOM 129 O ASP A2062 -14.129 0.104 0.592 1.00 0.43 O ATOM 130 CB ASP A2062 -16.192 2.190 -0.458 1.00 0.44 C ATOM 131 CG ASP A2062 -17.422 1.311 -0.531 1.00 0.71 C ATOM 132 OD1 ASP A2062 -18.452 1.667 0.076 1.00 1.42 O ATOM 133 OD2 ASP A2062 -17.366 0.253 -1.184 1.00 1.40 O ATOM 0 H ASP A2062 -14.039 3.318 0.039 1.00 0.45 H new ATOM 0 HA ASP A2062 -16.164 2.391 1.672 1.00 0.43 H new ATOM 0 HB2 ASP A2062 -16.478 3.229 -0.620 1.00 0.44 H new ATOM 0 HB3 ASP A2062 -15.504 1.920 -1.259 1.00 0.44 H new ATOM 138 N GLU A2063 -15.892 -0.059 1.960 1.00 0.47 N ATOM 139 CA GLU A2063 -15.557 -1.400 2.402 1.00 0.52 C ATOM 140 C GLU A2063 -16.053 -2.459 1.423 1.00 0.51 C ATOM 141 O GLU A2063 -15.741 -3.641 1.570 1.00 0.58 O ATOM 142 CB GLU A2063 -16.150 -1.639 3.788 1.00 0.64 C ATOM 143 CG GLU A2063 -15.742 -0.584 4.802 1.00 0.72 C ATOM 144 CD GLU A2063 -16.404 -0.781 6.148 1.00 0.87 C ATOM 145 OE1 GLU A2063 -15.682 -0.996 7.143 1.00 1.55 O ATOM 146 OE2 GLU A2063 -17.648 -0.728 6.215 1.00 1.30 O ATOM 0 H GLU A2063 -16.768 0.304 2.335 1.00 0.47 H new ATOM 0 HA GLU A2063 -14.471 -1.484 2.446 1.00 0.52 H new ATOM 0 HB2 GLU A2063 -17.237 -1.660 3.713 1.00 0.64 H new ATOM 0 HB3 GLU A2063 -15.836 -2.619 4.147 1.00 0.64 H new ATOM 0 HG2 GLU A2063 -14.659 -0.606 4.927 1.00 0.72 H new ATOM 0 HG3 GLU A2063 -15.998 0.403 4.417 1.00 0.72 H new ATOM 153 N THR A2064 -16.812 -2.042 0.417 1.00 0.49 N ATOM 154 CA THR A2064 -17.379 -2.987 -0.531 1.00 0.54 C ATOM 155 C THR A2064 -16.752 -2.857 -1.921 1.00 0.50 C ATOM 156 O THR A2064 -17.168 -3.533 -2.860 1.00 0.59 O ATOM 157 CB THR A2064 -18.910 -2.832 -0.622 1.00 0.60 C ATOM 158 OG1 THR A2064 -19.263 -1.481 -0.941 1.00 0.58 O ATOM 159 CG2 THR A2064 -19.561 -3.221 0.694 1.00 0.69 C ATOM 0 H THR A2064 -17.046 -1.065 0.239 1.00 0.49 H new ATOM 0 HA THR A2064 -17.148 -3.984 -0.155 1.00 0.54 H new ATOM 0 HB THR A2064 -19.268 -3.492 -1.412 1.00 0.60 H new ATOM 0 HG1 THR A2064 -18.482 -1.017 -1.309 1.00 0.58 H new ATOM 0 HG21 THR A2064 -20.642 -3.106 0.613 1.00 0.69 H new ATOM 0 HG22 THR A2064 -19.323 -4.259 0.925 1.00 0.69 H new ATOM 0 HG23 THR A2064 -19.186 -2.577 1.490 1.00 0.69 H new ATOM 167 N VAL A2065 -15.752 -1.990 -2.051 1.00 0.44 N ATOM 168 CA VAL A2065 -15.006 -1.875 -3.303 1.00 0.43 C ATOM 169 C VAL A2065 -13.864 -2.881 -3.320 1.00 0.37 C ATOM 170 O VAL A2065 -13.768 -3.724 -2.424 1.00 0.46 O ATOM 171 CB VAL A2065 -14.429 -0.457 -3.520 1.00 0.48 C ATOM 172 CG1 VAL A2065 -15.539 0.561 -3.712 1.00 0.82 C ATOM 173 CG2 VAL A2065 -13.527 -0.060 -2.364 1.00 0.57 C ATOM 0 H VAL A2065 -15.440 -1.360 -1.312 1.00 0.44 H new ATOM 0 HA VAL A2065 -15.709 -2.078 -4.111 1.00 0.43 H new ATOM 0 HB VAL A2065 -13.829 -0.474 -4.430 1.00 0.48 H new ATOM 0 HG11 VAL A2065 -15.104 1.549 -3.862 1.00 0.82 H new ATOM 0 HG12 VAL A2065 -16.134 0.290 -4.584 1.00 0.82 H new ATOM 0 HG13 VAL A2065 -16.176 0.576 -2.828 1.00 0.82 H new ATOM 0 HG21 VAL A2065 -13.132 0.941 -2.538 1.00 0.57 H new ATOM 0 HG22 VAL A2065 -14.099 -0.068 -1.436 1.00 0.57 H new ATOM 0 HG23 VAL A2065 -12.701 -0.767 -2.287 1.00 0.57 H new ATOM 183 N GLU A2066 -13.022 -2.811 -4.346 1.00 0.34 N ATOM 184 CA GLU A2066 -11.850 -3.671 -4.428 1.00 0.32 C ATOM 185 C GLU A2066 -10.616 -2.985 -3.842 1.00 0.26 C ATOM 186 O GLU A2066 -10.070 -2.043 -4.432 1.00 0.28 O ATOM 187 CB GLU A2066 -11.556 -4.071 -5.876 1.00 0.40 C ATOM 188 CG GLU A2066 -10.304 -4.922 -6.015 1.00 0.43 C ATOM 189 CD GLU A2066 -9.896 -5.155 -7.453 1.00 0.61 C ATOM 190 OE1 GLU A2066 -9.066 -4.378 -7.976 1.00 0.68 O ATOM 191 OE2 GLU A2066 -10.382 -6.129 -8.062 1.00 0.78 O ATOM 0 H GLU A2066 -13.130 -2.168 -5.130 1.00 0.34 H new ATOM 0 HA GLU A2066 -12.073 -4.565 -3.846 1.00 0.32 H new ATOM 0 HB2 GLU A2066 -12.408 -4.621 -6.275 1.00 0.40 H new ATOM 0 HB3 GLU A2066 -11.446 -3.171 -6.481 1.00 0.40 H new ATOM 0 HG2 GLU A2066 -9.483 -4.438 -5.486 1.00 0.43 H new ATOM 0 HG3 GLU A2066 -10.472 -5.884 -5.532 1.00 0.43 H new ATOM 198 N PRO A2067 -10.196 -3.411 -2.645 1.00 0.27 N ATOM 199 CA PRO A2067 -8.907 -3.076 -2.093 1.00 0.30 C ATOM 200 C PRO A2067 -7.927 -4.237 -2.270 1.00 0.28 C ATOM 201 O PRO A2067 -8.051 -5.278 -1.620 1.00 0.34 O ATOM 202 CB PRO A2067 -9.249 -2.849 -0.620 1.00 0.41 C ATOM 203 CG PRO A2067 -10.489 -3.663 -0.355 1.00 0.45 C ATOM 204 CD PRO A2067 -10.960 -4.207 -1.685 1.00 0.37 C ATOM 0 HA PRO A2067 -8.423 -2.221 -2.564 1.00 0.30 H new ATOM 0 HB2 PRO A2067 -8.429 -3.165 0.025 1.00 0.41 H new ATOM 0 HB3 PRO A2067 -9.425 -1.792 -0.418 1.00 0.41 H new ATOM 0 HG2 PRO A2067 -10.275 -4.476 0.339 1.00 0.45 H new ATOM 0 HG3 PRO A2067 -11.262 -3.047 0.104 1.00 0.45 H new ATOM 0 HD2 PRO A2067 -10.751 -5.272 -1.784 1.00 0.37 H new ATOM 0 HD3 PRO A2067 -12.034 -4.080 -1.817 1.00 0.37 H new ATOM 212 N THR A2068 -6.964 -4.064 -3.158 1.00 0.29 N ATOM 213 CA THR A2068 -6.035 -5.127 -3.497 1.00 0.32 C ATOM 214 C THR A2068 -4.619 -4.593 -3.634 1.00 0.39 C ATOM 215 O THR A2068 -4.360 -3.406 -3.467 1.00 0.70 O ATOM 216 CB THR A2068 -6.428 -5.802 -4.831 1.00 0.34 C ATOM 217 OG1 THR A2068 -6.700 -4.811 -5.832 1.00 0.38 O ATOM 218 CG2 THR A2068 -7.637 -6.707 -4.664 1.00 0.36 C ATOM 0 H THR A2068 -6.805 -3.191 -3.660 1.00 0.29 H new ATOM 0 HA THR A2068 -6.078 -5.855 -2.687 1.00 0.32 H new ATOM 0 HB THR A2068 -5.585 -6.415 -5.148 1.00 0.34 H new ATOM 0 HG1 THR A2068 -6.946 -5.253 -6.671 1.00 0.38 H new ATOM 0 HG21 THR A2068 -7.884 -7.164 -5.622 1.00 0.36 H new ATOM 0 HG22 THR A2068 -7.410 -7.487 -3.937 1.00 0.36 H new ATOM 0 HG23 THR A2068 -8.485 -6.120 -4.313 1.00 0.36 H new ATOM 226 N PHE A2069 -3.695 -5.491 -3.881 1.00 0.25 N ATOM 227 CA PHE A2069 -2.376 -5.113 -4.335 1.00 0.26 C ATOM 228 C PHE A2069 -2.331 -5.357 -5.826 1.00 0.27 C ATOM 229 O PHE A2069 -2.912 -6.331 -6.303 1.00 0.31 O ATOM 230 CB PHE A2069 -1.306 -5.919 -3.602 1.00 0.31 C ATOM 231 CG PHE A2069 -1.247 -5.619 -2.129 1.00 0.28 C ATOM 232 CD1 PHE A2069 -0.053 -5.289 -1.521 1.00 1.14 C ATOM 233 CD2 PHE A2069 -2.398 -5.652 -1.356 1.00 1.12 C ATOM 234 CE1 PHE A2069 -0.010 -5.001 -0.174 1.00 1.16 C ATOM 235 CE2 PHE A2069 -2.359 -5.365 -0.015 1.00 1.15 C ATOM 236 CZ PHE A2069 -1.168 -5.039 0.577 1.00 0.42 C ATOM 0 H PHE A2069 -3.833 -6.496 -3.774 1.00 0.25 H new ATOM 0 HA PHE A2069 -2.175 -4.063 -4.123 1.00 0.26 H new ATOM 0 HB2 PHE A2069 -1.501 -6.982 -3.743 1.00 0.31 H new ATOM 0 HB3 PHE A2069 -0.334 -5.711 -4.048 1.00 0.31 H new ATOM 0 HD1 PHE A2069 0.855 -5.256 -2.105 1.00 1.14 H new ATOM 0 HD2 PHE A2069 -3.340 -5.908 -1.817 1.00 1.12 H new ATOM 0 HE1 PHE A2069 0.929 -4.746 0.294 1.00 1.16 H new ATOM 0 HE2 PHE A2069 -3.265 -5.396 0.572 1.00 1.15 H new ATOM 0 HZ PHE A2069 -1.134 -4.811 1.632 1.00 0.42 H new ATOM 246 N GLU A2070 -1.660 -4.468 -6.550 1.00 0.30 N ATOM 247 CA GLU A2070 -1.739 -4.424 -8.010 1.00 0.36 C ATOM 248 C GLU A2070 -1.298 -5.745 -8.648 1.00 0.36 C ATOM 249 O GLU A2070 -1.622 -6.028 -9.805 1.00 0.44 O ATOM 250 CB GLU A2070 -0.887 -3.267 -8.535 1.00 0.52 C ATOM 251 CG GLU A2070 -1.086 -2.976 -10.012 1.00 0.66 C ATOM 252 CD GLU A2070 -0.241 -1.818 -10.495 1.00 1.36 C ATOM 253 OE1 GLU A2070 -0.774 -0.695 -10.607 1.00 2.09 O ATOM 254 OE2 GLU A2070 0.957 -2.026 -10.775 1.00 2.01 O ATOM 0 H GLU A2070 -1.048 -3.759 -6.146 1.00 0.30 H new ATOM 0 HA GLU A2070 -2.781 -4.266 -8.287 1.00 0.36 H new ATOM 0 HB2 GLU A2070 -1.120 -2.369 -7.963 1.00 0.52 H new ATOM 0 HB3 GLU A2070 0.164 -3.494 -8.358 1.00 0.52 H new ATOM 0 HG2 GLU A2070 -0.840 -3.867 -10.590 1.00 0.66 H new ATOM 0 HG3 GLU A2070 -2.137 -2.756 -10.197 1.00 0.66 H new ATOM 261 N ASP A2071 -0.566 -6.553 -7.891 1.00 0.40 N ATOM 262 CA ASP A2071 -0.087 -7.841 -8.377 1.00 0.53 C ATOM 263 C ASP A2071 -0.989 -8.981 -7.894 1.00 0.50 C ATOM 264 O ASP A2071 -0.671 -10.156 -8.074 1.00 0.62 O ATOM 265 CB ASP A2071 1.354 -8.080 -7.919 1.00 0.69 C ATOM 266 CG ASP A2071 1.466 -8.347 -6.429 1.00 1.42 C ATOM 267 OD1 ASP A2071 0.704 -7.741 -5.645 1.00 2.06 O ATOM 268 OD2 ASP A2071 2.326 -9.164 -6.032 1.00 2.15 O ATOM 0 H ASP A2071 -0.290 -6.337 -6.933 1.00 0.40 H new ATOM 0 HA ASP A2071 -0.114 -7.822 -9.466 1.00 0.53 H new ATOM 0 HB2 ASP A2071 1.768 -8.927 -8.466 1.00 0.69 H new ATOM 0 HB3 ASP A2071 1.959 -7.210 -8.173 1.00 0.69 H new ATOM 273 N GLY A2072 -2.113 -8.629 -7.280 1.00 0.43 N ATOM 274 CA GLY A2072 -3.068 -9.627 -6.835 1.00 0.48 C ATOM 275 C GLY A2072 -2.812 -10.110 -5.418 1.00 0.48 C ATOM 276 O GLY A2072 -3.322 -11.156 -5.013 1.00 0.63 O ATOM 0 H GLY A2072 -2.381 -7.665 -7.082 1.00 0.43 H new ATOM 0 HA2 GLY A2072 -4.073 -9.210 -6.894 1.00 0.48 H new ATOM 0 HA3 GLY A2072 -3.036 -10.479 -7.514 1.00 0.48 H new ATOM 280 N SER A2073 -2.037 -9.352 -4.657 1.00 0.37 N ATOM 281 CA SER A2073 -1.695 -9.749 -3.293 1.00 0.38 C ATOM 282 C SER A2073 -2.663 -9.132 -2.284 1.00 0.35 C ATOM 283 O SER A2073 -3.450 -8.247 -2.627 1.00 0.38 O ATOM 284 CB SER A2073 -0.259 -9.334 -2.970 1.00 0.46 C ATOM 285 OG SER A2073 0.645 -9.879 -3.914 1.00 0.89 O ATOM 0 H SER A2073 -1.634 -8.464 -4.955 1.00 0.37 H new ATOM 0 HA SER A2073 -1.777 -10.834 -3.222 1.00 0.38 H new ATOM 0 HB2 SER A2073 -0.181 -8.247 -2.970 1.00 0.46 H new ATOM 0 HB3 SER A2073 0.006 -9.672 -1.968 1.00 0.46 H new ATOM 0 HG SER A2073 1.558 -9.601 -3.691 1.00 0.89 H new ATOM 291 N LYS A2074 -2.612 -9.622 -1.045 1.00 0.35 N ATOM 292 CA LYS A2074 -3.460 -9.106 0.028 1.00 0.34 C ATOM 293 C LYS A2074 -2.625 -8.725 1.258 1.00 0.34 C ATOM 294 O LYS A2074 -3.092 -8.008 2.142 1.00 0.42 O ATOM 295 CB LYS A2074 -4.534 -10.135 0.410 1.00 0.39 C ATOM 296 CG LYS A2074 -5.527 -10.446 -0.707 1.00 0.53 C ATOM 297 CD LYS A2074 -6.292 -9.203 -1.145 1.00 0.43 C ATOM 298 CE LYS A2074 -7.321 -9.514 -2.224 1.00 0.55 C ATOM 299 NZ LYS A2074 -8.446 -10.336 -1.709 1.00 1.13 N ATOM 0 H LYS A2074 -1.990 -10.378 -0.760 1.00 0.35 H new ATOM 0 HA LYS A2074 -3.953 -8.206 -0.339 1.00 0.34 H new ATOM 0 HB2 LYS A2074 -4.044 -11.060 0.713 1.00 0.39 H new ATOM 0 HB3 LYS A2074 -5.083 -9.766 1.277 1.00 0.39 H new ATOM 0 HG2 LYS A2074 -4.994 -10.865 -1.561 1.00 0.53 H new ATOM 0 HG3 LYS A2074 -6.231 -11.205 -0.367 1.00 0.53 H new ATOM 0 HD2 LYS A2074 -6.793 -8.764 -0.283 1.00 0.43 H new ATOM 0 HD3 LYS A2074 -5.589 -8.458 -1.519 1.00 0.43 H new ATOM 0 HE2 LYS A2074 -7.712 -8.581 -2.630 1.00 0.55 H new ATOM 0 HE3 LYS A2074 -6.835 -10.041 -3.045 1.00 0.55 H new ATOM 0 HZ1 LYS A2074 -9.185 -10.409 -2.437 1.00 1.13 H new ATOM 0 HZ2 LYS A2074 -8.100 -11.287 -1.471 1.00 1.13 H new ATOM 0 HZ3 LYS A2074 -8.842 -9.888 -0.858 1.00 1.13 H new ATOM 313 N GLU A2075 -1.396 -9.217 1.315 1.00 0.33 N ATOM 314 CA GLU A2075 -0.457 -8.835 2.364 1.00 0.32 C ATOM 315 C GLU A2075 0.959 -8.900 1.832 1.00 0.34 C ATOM 316 O GLU A2075 1.559 -9.973 1.757 1.00 0.47 O ATOM 317 CB GLU A2075 -0.584 -9.740 3.590 1.00 0.36 C ATOM 318 CG GLU A2075 -1.240 -9.071 4.774 1.00 0.91 C ATOM 319 CD GLU A2075 -1.879 -10.054 5.727 1.00 1.40 C ATOM 320 OE1 GLU A2075 -2.951 -10.601 5.400 1.00 2.08 O ATOM 321 OE2 GLU A2075 -1.312 -10.281 6.816 1.00 1.88 O ATOM 0 H GLU A2075 -1.022 -9.887 0.643 1.00 0.33 H new ATOM 0 HA GLU A2075 -0.694 -7.816 2.669 1.00 0.32 H new ATOM 0 HB2 GLU A2075 -1.160 -10.625 3.319 1.00 0.36 H new ATOM 0 HB3 GLU A2075 0.409 -10.083 3.882 1.00 0.36 H new ATOM 0 HG2 GLU A2075 -0.495 -8.484 5.311 1.00 0.91 H new ATOM 0 HG3 GLU A2075 -1.998 -8.374 4.417 1.00 0.91 H new ATOM 328 N LYS A2076 1.490 -7.757 1.444 1.00 0.35 N ATOM 329 CA LYS A2076 2.836 -7.706 0.921 1.00 0.38 C ATOM 330 C LYS A2076 3.816 -7.422 2.037 1.00 0.37 C ATOM 331 O LYS A2076 3.858 -6.309 2.565 1.00 0.37 O ATOM 332 CB LYS A2076 2.979 -6.628 -0.144 1.00 0.44 C ATOM 333 CG LYS A2076 4.343 -6.637 -0.809 1.00 0.88 C ATOM 334 CD LYS A2076 4.497 -7.823 -1.745 1.00 0.91 C ATOM 335 CE LYS A2076 5.957 -8.141 -1.996 1.00 0.88 C ATOM 336 NZ LYS A2076 6.141 -8.969 -3.218 1.00 1.48 N ATOM 0 H LYS A2076 1.011 -6.857 1.482 1.00 0.35 H new ATOM 0 HA LYS A2076 3.049 -8.675 0.470 1.00 0.38 H new ATOM 0 HB2 LYS A2076 2.209 -6.768 -0.903 1.00 0.44 H new ATOM 0 HB3 LYS A2076 2.807 -5.651 0.308 1.00 0.44 H new ATOM 0 HG2 LYS A2076 4.483 -5.711 -1.367 1.00 0.88 H new ATOM 0 HG3 LYS A2076 5.121 -6.671 -0.046 1.00 0.88 H new ATOM 0 HD2 LYS A2076 4.002 -8.694 -1.316 1.00 0.91 H new ATOM 0 HD3 LYS A2076 4.001 -7.608 -2.692 1.00 0.91 H new ATOM 0 HE2 LYS A2076 6.519 -7.212 -2.098 1.00 0.88 H new ATOM 0 HE3 LYS A2076 6.367 -8.668 -1.135 1.00 0.88 H new ATOM 0 HZ1 LYS A2076 7.153 -9.165 -3.355 1.00 1.48 H new ATOM 0 HZ2 LYS A2076 5.626 -9.866 -3.110 1.00 1.48 H new ATOM 0 HZ3 LYS A2076 5.773 -8.455 -4.044 1.00 1.48 H new ATOM 350 N THR A2077 4.587 -8.421 2.407 1.00 0.45 N ATOM 351 CA THR A2077 5.632 -8.218 3.374 1.00 0.47 C ATOM 352 C THR A2077 6.987 -8.265 2.706 1.00 0.52 C ATOM 353 O THR A2077 7.373 -9.270 2.107 1.00 0.63 O ATOM 354 CB THR A2077 5.590 -9.245 4.517 1.00 0.50 C ATOM 355 OG1 THR A2077 4.315 -9.203 5.172 1.00 0.48 O ATOM 356 CG2 THR A2077 6.692 -8.955 5.525 1.00 0.55 C ATOM 0 H THR A2077 4.508 -9.374 2.053 1.00 0.45 H new ATOM 0 HA THR A2077 5.465 -7.233 3.809 1.00 0.47 H new ATOM 0 HB THR A2077 5.744 -10.239 4.096 1.00 0.50 H new ATOM 0 HG1 THR A2077 4.298 -9.862 5.897 1.00 0.48 H new ATOM 0 HG21 THR A2077 6.652 -9.689 6.330 1.00 0.55 H new ATOM 0 HG22 THR A2077 7.662 -9.012 5.030 1.00 0.55 H new ATOM 0 HG23 THR A2077 6.553 -7.956 5.938 1.00 0.55 H new ATOM 364 N ILE A2078 7.684 -7.155 2.790 1.00 0.51 N ATOM 365 CA ILE A2078 9.033 -7.061 2.300 1.00 0.60 C ATOM 366 C ILE A2078 9.963 -6.842 3.486 1.00 0.60 C ATOM 367 O ILE A2078 9.857 -5.829 4.175 1.00 0.53 O ATOM 368 CB ILE A2078 9.167 -5.908 1.288 1.00 0.67 C ATOM 369 CG1 ILE A2078 8.273 -6.173 0.073 1.00 0.75 C ATOM 370 CG2 ILE A2078 10.618 -5.740 0.865 1.00 0.80 C ATOM 371 CD1 ILE A2078 8.013 -4.946 -0.774 1.00 1.62 C ATOM 0 H ILE A2078 7.328 -6.292 3.201 1.00 0.51 H new ATOM 0 HA ILE A2078 9.301 -7.983 1.785 1.00 0.60 H new ATOM 0 HB ILE A2078 8.843 -4.981 1.761 1.00 0.67 H new ATOM 0 HG12 ILE A2078 8.737 -6.940 -0.548 1.00 0.75 H new ATOM 0 HG13 ILE A2078 7.320 -6.575 0.416 1.00 0.75 H new ATOM 0 HG21 ILE A2078 10.696 -4.921 0.150 1.00 0.80 H new ATOM 0 HG22 ILE A2078 11.229 -5.517 1.740 1.00 0.80 H new ATOM 0 HG23 ILE A2078 10.971 -6.661 0.402 1.00 0.80 H new ATOM 0 HD11 ILE A2078 7.373 -5.213 -1.615 1.00 1.62 H new ATOM 0 HD12 ILE A2078 7.520 -4.185 -0.170 1.00 1.62 H new ATOM 0 HD13 ILE A2078 8.959 -4.555 -1.148 1.00 1.62 H new ATOM 383 N PRO A2079 10.848 -7.816 3.756 1.00 0.72 N ATOM 384 CA PRO A2079 11.728 -7.804 4.933 1.00 0.79 C ATOM 385 C PRO A2079 12.446 -6.473 5.145 1.00 0.74 C ATOM 386 O PRO A2079 13.333 -6.103 4.378 1.00 0.76 O ATOM 387 CB PRO A2079 12.739 -8.905 4.618 1.00 0.94 C ATOM 388 CG PRO A2079 11.996 -9.857 3.754 1.00 0.98 C ATOM 389 CD PRO A2079 11.058 -9.020 2.929 1.00 0.85 C ATOM 0 HA PRO A2079 11.163 -7.955 5.853 1.00 0.79 H new ATOM 0 HB2 PRO A2079 13.615 -8.505 4.106 1.00 0.94 H new ATOM 0 HB3 PRO A2079 13.095 -9.389 5.528 1.00 0.94 H new ATOM 0 HG2 PRO A2079 12.678 -10.421 3.118 1.00 0.98 H new ATOM 0 HG3 PRO A2079 11.447 -10.582 4.354 1.00 0.98 H new ATOM 0 HD2 PRO A2079 11.490 -8.770 1.960 1.00 0.85 H new ATOM 0 HD3 PRO A2079 10.121 -9.541 2.735 1.00 0.85 H new ATOM 397 N GLY A2080 12.042 -5.755 6.186 1.00 0.73 N ATOM 398 CA GLY A2080 12.699 -4.512 6.540 1.00 0.76 C ATOM 399 C GLY A2080 12.071 -3.307 5.869 1.00 0.70 C ATOM 400 O GLY A2080 12.393 -2.167 6.200 1.00 0.94 O ATOM 0 H GLY A2080 11.266 -6.014 6.795 1.00 0.73 H new ATOM 0 HA2 GLY A2080 12.662 -4.381 7.621 1.00 0.76 H new ATOM 0 HA3 GLY A2080 13.751 -4.570 6.262 1.00 0.76 H new ATOM 404 N GLN A2081 11.160 -3.557 4.944 1.00 0.54 N ATOM 405 CA GLN A2081 10.540 -2.492 4.167 1.00 0.53 C ATOM 406 C GLN A2081 9.159 -2.181 4.727 1.00 0.50 C ATOM 407 O GLN A2081 8.691 -1.042 4.671 1.00 0.57 O ATOM 408 CB GLN A2081 10.463 -2.926 2.701 1.00 0.57 C ATOM 409 CG GLN A2081 10.028 -1.853 1.709 1.00 0.95 C ATOM 410 CD GLN A2081 8.555 -1.929 1.338 1.00 1.09 C ATOM 411 OE1 GLN A2081 7.708 -2.301 2.147 1.00 2.02 O ATOM 412 NE2 GLN A2081 8.243 -1.615 0.087 1.00 0.87 N ATOM 0 H GLN A2081 10.830 -4.494 4.710 1.00 0.54 H new ATOM 0 HA GLN A2081 11.137 -1.582 4.230 1.00 0.53 H new ATOM 0 HB2 GLN A2081 11.443 -3.295 2.400 1.00 0.57 H new ATOM 0 HB3 GLN A2081 9.770 -3.764 2.627 1.00 0.57 H new ATOM 0 HG2 GLN A2081 10.237 -0.871 2.134 1.00 0.95 H new ATOM 0 HG3 GLN A2081 10.628 -1.943 0.803 1.00 0.95 H new ATOM 0 HE21 GLN A2081 8.971 -1.310 -0.559 1.00 0.87 H new ATOM 0 HE22 GLN A2081 7.275 -1.679 -0.229 1.00 0.87 H new ATOM 421 N GLY A2082 8.517 -3.202 5.276 1.00 0.47 N ATOM 422 CA GLY A2082 7.225 -3.017 5.896 1.00 0.50 C ATOM 423 C GLY A2082 6.196 -4.007 5.396 1.00 0.40 C ATOM 424 O GLY A2082 6.534 -5.003 4.749 1.00 0.45 O ATOM 0 H GLY A2082 8.871 -4.158 5.302 1.00 0.47 H new ATOM 0 HA2 GLY A2082 7.326 -3.118 6.977 1.00 0.50 H new ATOM 0 HA3 GLY A2082 6.874 -2.004 5.702 1.00 0.50 H new ATOM 428 N THR A2083 4.938 -3.749 5.716 1.00 0.33 N ATOM 429 CA THR A2083 3.841 -4.574 5.242 1.00 0.29 C ATOM 430 C THR A2083 2.582 -3.739 5.085 1.00 0.25 C ATOM 431 O THR A2083 2.195 -2.979 5.980 1.00 0.30 O ATOM 432 CB THR A2083 3.541 -5.761 6.188 1.00 0.36 C ATOM 433 OG1 THR A2083 4.731 -6.535 6.382 1.00 0.49 O ATOM 434 CG2 THR A2083 2.436 -6.658 5.623 1.00 0.36 C ATOM 0 H THR A2083 4.651 -2.968 6.307 1.00 0.33 H new ATOM 0 HA THR A2083 4.150 -4.979 4.278 1.00 0.29 H new ATOM 0 HB THR A2083 3.200 -5.356 7.141 1.00 0.36 H new ATOM 0 HG1 THR A2083 4.563 -7.464 6.119 1.00 0.49 H new ATOM 0 HG21 THR A2083 2.249 -7.482 6.311 1.00 0.36 H new ATOM 0 HG22 THR A2083 1.523 -6.076 5.498 1.00 0.36 H new ATOM 0 HG23 THR A2083 2.748 -7.055 4.657 1.00 0.36 H new ATOM 442 N TYR A2084 1.970 -3.859 3.934 1.00 0.28 N ATOM 443 CA TYR A2084 0.674 -3.274 3.705 1.00 0.34 C ATOM 444 C TYR A2084 -0.339 -4.398 3.811 1.00 0.32 C ATOM 445 O TYR A2084 -0.133 -5.465 3.230 1.00 0.29 O ATOM 446 CB TYR A2084 0.632 -2.610 2.327 1.00 0.43 C ATOM 447 CG TYR A2084 1.959 -2.002 1.919 1.00 0.44 C ATOM 448 CD1 TYR A2084 2.766 -2.626 0.974 1.00 1.13 C ATOM 449 CD2 TYR A2084 2.417 -0.823 2.494 1.00 1.38 C ATOM 450 CE1 TYR A2084 3.987 -2.091 0.613 1.00 1.15 C ATOM 451 CE2 TYR A2084 3.635 -0.282 2.135 1.00 1.44 C ATOM 452 CZ TYR A2084 4.415 -0.920 1.195 1.00 0.62 C ATOM 453 OH TYR A2084 5.634 -0.392 0.845 1.00 0.76 O ATOM 0 H TYR A2084 2.354 -4.362 3.134 1.00 0.28 H new ATOM 0 HA TYR A2084 0.451 -2.497 4.436 1.00 0.34 H new ATOM 0 HB2 TYR A2084 0.334 -3.349 1.583 1.00 0.43 H new ATOM 0 HB3 TYR A2084 -0.132 -1.833 2.328 1.00 0.43 H new ATOM 0 HD1 TYR A2084 2.432 -3.545 0.515 1.00 1.13 H new ATOM 0 HD2 TYR A2084 1.810 -0.322 3.234 1.00 1.38 H new ATOM 0 HE1 TYR A2084 4.602 -2.589 -0.122 1.00 1.15 H new ATOM 0 HE2 TYR A2084 3.975 0.637 2.589 1.00 1.44 H new ATOM 0 HH TYR A2084 5.500 0.375 0.250 1.00 0.76 H new ATOM 463 N THR A2085 -1.391 -4.206 4.583 1.00 0.39 N ATOM 464 CA THR A2085 -2.309 -5.298 4.850 1.00 0.40 C ATOM 465 C THR A2085 -3.743 -4.931 4.506 1.00 0.41 C ATOM 466 O THR A2085 -4.195 -3.815 4.777 1.00 0.49 O ATOM 467 CB THR A2085 -2.230 -5.751 6.326 1.00 0.46 C ATOM 468 OG1 THR A2085 -2.530 -4.656 7.200 1.00 0.63 O ATOM 469 CG2 THR A2085 -0.845 -6.284 6.656 1.00 0.57 C ATOM 0 H THR A2085 -1.630 -3.321 5.030 1.00 0.39 H new ATOM 0 HA THR A2085 -2.003 -6.124 4.208 1.00 0.40 H new ATOM 0 HB THR A2085 -2.962 -6.546 6.470 1.00 0.46 H new ATOM 0 HG1 THR A2085 -2.478 -4.957 8.131 1.00 0.63 H new ATOM 0 HG21 THR A2085 -0.815 -6.596 7.700 1.00 0.57 H new ATOM 0 HG22 THR A2085 -0.621 -7.137 6.015 1.00 0.57 H new ATOM 0 HG23 THR A2085 -0.105 -5.501 6.490 1.00 0.57 H new ATOM 477 N ILE A2086 -4.440 -5.870 3.883 1.00 0.39 N ATOM 478 CA ILE A2086 -5.853 -5.716 3.606 1.00 0.40 C ATOM 479 C ILE A2086 -6.607 -6.962 4.052 1.00 0.45 C ATOM 480 O ILE A2086 -6.179 -8.090 3.794 1.00 0.55 O ATOM 481 CB ILE A2086 -6.123 -5.426 2.100 1.00 0.47 C ATOM 482 CG1 ILE A2086 -7.627 -5.246 1.821 1.00 0.56 C ATOM 483 CG2 ILE A2086 -5.552 -6.527 1.221 1.00 0.57 C ATOM 484 CD1 ILE A2086 -8.377 -6.526 1.499 1.00 1.18 C ATOM 0 H ILE A2086 -4.042 -6.752 3.559 1.00 0.39 H new ATOM 0 HA ILE A2086 -6.212 -4.855 4.170 1.00 0.40 H new ATOM 0 HB ILE A2086 -5.619 -4.491 1.855 1.00 0.47 H new ATOM 0 HG12 ILE A2086 -8.090 -4.781 2.691 1.00 0.56 H new ATOM 0 HG13 ILE A2086 -7.746 -4.553 0.988 1.00 0.56 H new ATOM 0 HG21 ILE A2086 -5.755 -6.299 0.175 1.00 0.57 H new ATOM 0 HG22 ILE A2086 -4.475 -6.594 1.376 1.00 0.57 H new ATOM 0 HG23 ILE A2086 -6.016 -7.478 1.482 1.00 0.57 H new ATOM 0 HD11 ILE A2086 -9.427 -6.297 1.318 1.00 1.18 H new ATOM 0 HD12 ILE A2086 -7.947 -6.985 0.609 1.00 1.18 H new ATOM 0 HD13 ILE A2086 -8.296 -7.216 2.339 1.00 1.18 H new ATOM 496 N VAL A2087 -7.708 -6.753 4.750 1.00 0.49 N ATOM 497 CA VAL A2087 -8.607 -7.839 5.092 1.00 0.59 C ATOM 498 C VAL A2087 -9.958 -7.599 4.425 1.00 0.58 C ATOM 499 O VAL A2087 -10.356 -6.446 4.216 1.00 0.53 O ATOM 500 CB VAL A2087 -8.782 -7.996 6.620 1.00 0.73 C ATOM 501 CG1 VAL A2087 -7.479 -8.442 7.267 1.00 0.78 C ATOM 502 CG2 VAL A2087 -9.270 -6.705 7.247 1.00 0.80 C ATOM 0 H VAL A2087 -8.002 -5.838 5.092 1.00 0.49 H new ATOM 0 HA VAL A2087 -8.169 -8.768 4.728 1.00 0.59 H new ATOM 0 HB VAL A2087 -9.536 -8.764 6.794 1.00 0.73 H new ATOM 0 HG11 VAL A2087 -7.624 -8.546 8.342 1.00 0.78 H new ATOM 0 HG12 VAL A2087 -7.174 -9.400 6.847 1.00 0.78 H new ATOM 0 HG13 VAL A2087 -6.705 -7.699 7.076 1.00 0.78 H new ATOM 0 HG21 VAL A2087 -9.385 -6.843 8.322 1.00 0.80 H new ATOM 0 HG22 VAL A2087 -8.546 -5.912 7.058 1.00 0.80 H new ATOM 0 HG23 VAL A2087 -10.231 -6.430 6.812 1.00 0.80 H new ATOM 512 N PRO A2088 -10.676 -8.684 4.073 1.00 0.66 N ATOM 513 CA PRO A2088 -11.899 -8.623 3.247 1.00 0.68 C ATOM 514 C PRO A2088 -13.036 -7.825 3.881 1.00 0.66 C ATOM 515 O PRO A2088 -14.105 -7.685 3.289 1.00 0.69 O ATOM 516 CB PRO A2088 -12.319 -10.089 3.103 1.00 0.81 C ATOM 517 CG PRO A2088 -11.106 -10.879 3.443 1.00 0.97 C ATOM 518 CD PRO A2088 -10.352 -10.069 4.453 1.00 0.78 C ATOM 0 HA PRO A2088 -11.695 -8.114 2.305 1.00 0.68 H new ATOM 0 HB2 PRO A2088 -13.145 -10.329 3.772 1.00 0.81 H new ATOM 0 HB3 PRO A2088 -12.657 -10.304 2.089 1.00 0.81 H new ATOM 0 HG2 PRO A2088 -11.377 -11.854 3.849 1.00 0.97 H new ATOM 0 HG3 PRO A2088 -10.498 -11.061 2.557 1.00 0.97 H new ATOM 0 HD2 PRO A2088 -10.671 -10.294 5.471 1.00 0.78 H new ATOM 0 HD3 PRO A2088 -9.280 -10.261 4.406 1.00 0.78 H new ATOM 526 N ASP A2089 -12.803 -7.305 5.079 1.00 0.67 N ATOM 527 CA ASP A2089 -13.785 -6.475 5.763 1.00 0.73 C ATOM 528 C ASP A2089 -13.901 -5.125 5.070 1.00 0.66 C ATOM 529 O ASP A2089 -14.847 -4.369 5.303 1.00 0.73 O ATOM 530 CB ASP A2089 -13.383 -6.275 7.225 1.00 0.85 C ATOM 531 CG ASP A2089 -13.261 -7.581 7.978 1.00 1.59 C ATOM 532 OD1 ASP A2089 -12.225 -8.264 7.827 1.00 2.29 O ATOM 533 OD2 ASP A2089 -14.195 -7.929 8.729 1.00 2.26 O ATOM 0 H ASP A2089 -11.937 -7.445 5.599 1.00 0.67 H new ATOM 0 HA ASP A2089 -14.751 -6.978 5.728 1.00 0.73 H new ATOM 0 HB2 ASP A2089 -12.431 -5.745 7.267 1.00 0.85 H new ATOM 0 HB3 ASP A2089 -14.122 -5.643 7.718 1.00 0.85 H new ATOM 538 N GLY A2090 -12.929 -4.827 4.215 1.00 0.59 N ATOM 539 CA GLY A2090 -12.936 -3.582 3.479 1.00 0.63 C ATOM 540 C GLY A2090 -12.057 -2.537 4.123 1.00 0.70 C ATOM 541 O GLY A2090 -12.226 -1.341 3.890 1.00 0.83 O ATOM 0 H GLY A2090 -12.132 -5.432 4.019 1.00 0.59 H new ATOM 0 HA2 GLY A2090 -12.596 -3.762 2.459 1.00 0.63 H new ATOM 0 HA3 GLY A2090 -13.957 -3.206 3.413 1.00 0.63 H new ATOM 545 N THR A2091 -11.119 -2.987 4.938 1.00 0.70 N ATOM 546 CA THR A2091 -10.206 -2.085 5.615 1.00 0.79 C ATOM 547 C THR A2091 -8.760 -2.407 5.234 1.00 0.60 C ATOM 548 O THR A2091 -8.369 -3.578 5.156 1.00 0.59 O ATOM 549 CB THR A2091 -10.397 -2.135 7.150 1.00 1.05 C ATOM 550 OG1 THR A2091 -9.459 -1.269 7.800 1.00 1.51 O ATOM 551 CG2 THR A2091 -10.245 -3.551 7.683 1.00 0.86 C ATOM 0 H THR A2091 -10.970 -3.974 5.147 1.00 0.70 H new ATOM 0 HA THR A2091 -10.432 -1.069 5.291 1.00 0.79 H new ATOM 0 HB THR A2091 -11.410 -1.795 7.366 1.00 1.05 H new ATOM 0 HG1 THR A2091 -9.593 -1.310 8.770 1.00 1.51 H new ATOM 0 HG21 THR A2091 -10.385 -3.550 8.764 1.00 0.86 H new ATOM 0 HG22 THR A2091 -10.992 -4.196 7.221 1.00 0.86 H new ATOM 0 HG23 THR A2091 -9.248 -3.924 7.447 1.00 0.86 H new ATOM 559 N VAL A2092 -7.985 -1.362 4.958 1.00 0.60 N ATOM 560 CA VAL A2092 -6.605 -1.512 4.510 1.00 0.54 C ATOM 561 C VAL A2092 -5.710 -0.515 5.236 1.00 0.55 C ATOM 562 O VAL A2092 -6.157 0.576 5.593 1.00 0.78 O ATOM 563 CB VAL A2092 -6.470 -1.250 2.990 1.00 0.79 C ATOM 564 CG1 VAL A2092 -5.132 -1.745 2.462 1.00 1.02 C ATOM 565 CG2 VAL A2092 -7.621 -1.870 2.217 1.00 1.18 C ATOM 0 H VAL A2092 -8.294 -0.393 5.038 1.00 0.60 H new ATOM 0 HA VAL A2092 -6.305 -2.537 4.729 1.00 0.54 H new ATOM 0 HB VAL A2092 -6.511 -0.171 2.840 1.00 0.79 H new ATOM 0 HG11 VAL A2092 -5.067 -1.547 1.392 1.00 1.02 H new ATOM 0 HG12 VAL A2092 -4.323 -1.226 2.977 1.00 1.02 H new ATOM 0 HG13 VAL A2092 -5.045 -2.817 2.638 1.00 1.02 H new ATOM 0 HG21 VAL A2092 -7.496 -1.668 1.153 1.00 1.18 H new ATOM 0 HG22 VAL A2092 -7.632 -2.947 2.383 1.00 1.18 H new ATOM 0 HG23 VAL A2092 -8.562 -1.441 2.560 1.00 1.18 H new ATOM 575 N THR A2093 -4.458 -0.877 5.447 1.00 0.47 N ATOM 576 CA THR A2093 -3.489 0.056 5.988 1.00 0.53 C ATOM 577 C THR A2093 -2.180 -0.026 5.210 1.00 0.44 C ATOM 578 O THR A2093 -1.653 -1.115 4.953 1.00 0.41 O ATOM 579 CB THR A2093 -3.232 -0.177 7.496 1.00 0.71 C ATOM 580 OG1 THR A2093 -2.283 0.781 7.986 1.00 1.46 O ATOM 581 CG2 THR A2093 -2.719 -1.580 7.767 1.00 0.71 C ATOM 0 H THR A2093 -4.090 -1.808 5.252 1.00 0.47 H new ATOM 0 HA THR A2093 -3.909 1.056 5.880 1.00 0.53 H new ATOM 0 HB THR A2093 -4.183 -0.056 8.015 1.00 0.71 H new ATOM 0 HG1 THR A2093 -1.390 0.378 8.003 1.00 1.46 H new ATOM 0 HG21 THR A2093 -2.550 -1.705 8.837 1.00 0.71 H new ATOM 0 HG22 THR A2093 -3.455 -2.309 7.428 1.00 0.71 H new ATOM 0 HG23 THR A2093 -1.782 -1.735 7.231 1.00 0.71 H new ATOM 589 N PHE A2094 -1.684 1.129 4.794 1.00 0.46 N ATOM 590 CA PHE A2094 -0.405 1.207 4.108 1.00 0.42 C ATOM 591 C PHE A2094 0.689 1.497 5.128 1.00 0.43 C ATOM 592 O PHE A2094 0.871 2.643 5.531 1.00 0.52 O ATOM 593 CB PHE A2094 -0.433 2.310 3.028 1.00 0.51 C ATOM 594 CG PHE A2094 -1.361 2.047 1.861 1.00 0.47 C ATOM 595 CD1 PHE A2094 -1.566 3.016 0.880 1.00 1.21 C ATOM 596 CD2 PHE A2094 -2.019 0.832 1.730 1.00 1.26 C ATOM 597 CE1 PHE A2094 -2.398 2.773 -0.192 1.00 1.23 C ATOM 598 CE2 PHE A2094 -2.855 0.591 0.661 1.00 1.27 C ATOM 599 CZ PHE A2094 -3.043 1.561 -0.301 1.00 0.55 C ATOM 0 H PHE A2094 -2.150 2.028 4.920 1.00 0.46 H new ATOM 0 HA PHE A2094 -0.204 0.256 3.614 1.00 0.42 H new ATOM 0 HB2 PHE A2094 -0.724 3.249 3.498 1.00 0.51 H new ATOM 0 HB3 PHE A2094 0.578 2.446 2.644 1.00 0.51 H new ATOM 0 HD1 PHE A2094 -1.066 3.970 0.961 1.00 1.21 H new ATOM 0 HD2 PHE A2094 -1.874 0.065 2.476 1.00 1.26 H new ATOM 0 HE1 PHE A2094 -2.544 3.533 -0.946 1.00 1.23 H new ATOM 0 HE2 PHE A2094 -3.363 -0.358 0.577 1.00 1.27 H new ATOM 0 HZ PHE A2094 -3.696 1.370 -1.140 1.00 0.55 H new ATOM 609 N THR A2095 1.408 0.464 5.566 1.00 0.37 N ATOM 610 CA THR A2095 2.433 0.647 6.585 1.00 0.39 C ATOM 611 C THR A2095 3.829 0.290 6.062 1.00 0.37 C ATOM 612 O THR A2095 4.269 -0.857 6.163 1.00 0.37 O ATOM 613 CB THR A2095 2.123 -0.211 7.827 1.00 0.47 C ATOM 614 OG1 THR A2095 0.764 -0.002 8.242 1.00 0.58 O ATOM 615 CG2 THR A2095 3.059 0.133 8.977 1.00 0.58 C ATOM 0 H THR A2095 1.300 -0.495 5.235 1.00 0.37 H new ATOM 0 HA THR A2095 2.426 1.703 6.856 1.00 0.39 H new ATOM 0 HB THR A2095 2.270 -1.257 7.558 1.00 0.47 H new ATOM 0 HG1 THR A2095 0.575 -0.552 9.031 1.00 0.58 H new ATOM 0 HG21 THR A2095 2.818 -0.487 9.840 1.00 0.58 H new ATOM 0 HG22 THR A2095 4.090 -0.051 8.675 1.00 0.58 H new ATOM 0 HG23 THR A2095 2.940 1.184 9.241 1.00 0.58 H new ATOM 623 N PRO A2096 4.529 1.268 5.472 1.00 0.50 N ATOM 624 CA PRO A2096 5.926 1.127 5.084 1.00 0.61 C ATOM 625 C PRO A2096 6.872 1.593 6.189 1.00 0.69 C ATOM 626 O PRO A2096 6.468 2.327 7.095 1.00 0.81 O ATOM 627 CB PRO A2096 6.019 2.051 3.877 1.00 0.88 C ATOM 628 CG PRO A2096 5.027 3.142 4.142 1.00 0.98 C ATOM 629 CD PRO A2096 4.005 2.595 5.113 1.00 0.69 C ATOM 0 HA PRO A2096 6.211 0.095 4.882 1.00 0.61 H new ATOM 0 HB2 PRO A2096 7.026 2.453 3.765 1.00 0.88 H new ATOM 0 HB3 PRO A2096 5.783 1.520 2.955 1.00 0.88 H new ATOM 0 HG2 PRO A2096 5.522 4.019 4.559 1.00 0.98 H new ATOM 0 HG3 PRO A2096 4.547 3.458 3.216 1.00 0.98 H new ATOM 0 HD2 PRO A2096 3.905 3.235 5.990 1.00 0.69 H new ATOM 0 HD3 PRO A2096 3.018 2.524 4.656 1.00 0.69 H new ATOM 637 N ASP A2097 8.124 1.169 6.117 1.00 0.89 N ATOM 638 CA ASP A2097 9.129 1.610 7.073 1.00 1.14 C ATOM 639 C ASP A2097 9.549 3.038 6.751 1.00 1.37 C ATOM 640 O ASP A2097 10.124 3.296 5.693 1.00 1.39 O ATOM 641 CB ASP A2097 10.346 0.685 7.040 1.00 1.24 C ATOM 642 CG ASP A2097 11.301 0.921 8.198 1.00 2.06 C ATOM 643 OD1 ASP A2097 12.004 1.954 8.211 1.00 2.61 O ATOM 644 OD2 ASP A2097 11.362 0.058 9.100 1.00 2.72 O ATOM 0 H ASP A2097 8.469 0.521 5.408 1.00 0.89 H new ATOM 0 HA ASP A2097 8.700 1.577 8.074 1.00 1.14 H new ATOM 0 HB2 ASP A2097 10.009 -0.351 7.060 1.00 1.24 H new ATOM 0 HB3 ASP A2097 10.880 0.829 6.101 1.00 1.24 H new ATOM 649 N LYS A2098 9.228 3.949 7.666 1.00 1.89 N ATOM 650 CA LYS A2098 9.372 5.390 7.452 1.00 2.37 C ATOM 651 C LYS A2098 10.692 5.772 6.781 1.00 2.32 C ATOM 652 O LYS A2098 10.700 6.466 5.763 1.00 2.66 O ATOM 653 CB LYS A2098 9.256 6.120 8.796 1.00 3.03 C ATOM 654 CG LYS A2098 9.415 7.633 8.704 1.00 3.48 C ATOM 655 CD LYS A2098 8.080 8.360 8.769 1.00 4.03 C ATOM 656 CE LYS A2098 7.190 8.049 7.578 1.00 4.43 C ATOM 657 NZ LYS A2098 5.882 8.749 7.675 1.00 4.81 N ATOM 0 H LYS A2098 8.857 3.708 8.585 1.00 1.89 H new ATOM 0 HA LYS A2098 8.572 5.690 6.775 1.00 2.37 H new ATOM 0 HB2 LYS A2098 8.284 5.895 9.236 1.00 3.03 H new ATOM 0 HB3 LYS A2098 10.012 5.728 9.476 1.00 3.03 H new ATOM 0 HG2 LYS A2098 10.054 7.979 9.516 1.00 3.48 H new ATOM 0 HG3 LYS A2098 9.919 7.887 7.772 1.00 3.48 H new ATOM 0 HD2 LYS A2098 7.563 8.082 9.687 1.00 4.03 H new ATOM 0 HD3 LYS A2098 8.257 9.435 8.816 1.00 4.03 H new ATOM 0 HE2 LYS A2098 7.695 8.346 6.659 1.00 4.43 H new ATOM 0 HE3 LYS A2098 7.024 6.973 7.518 1.00 4.43 H new ATOM 0 HZ1 LYS A2098 5.300 8.514 6.846 1.00 4.81 H new ATOM 0 HZ2 LYS A2098 5.390 8.447 8.540 1.00 4.81 H new ATOM 0 HZ3 LYS A2098 6.040 9.776 7.707 1.00 4.81 H new ATOM 671 N GLN A2099 11.799 5.323 7.354 1.00 2.03 N ATOM 672 CA GLN A2099 13.112 5.767 6.910 1.00 2.09 C ATOM 673 C GLN A2099 13.981 4.601 6.451 1.00 1.67 C ATOM 674 O GLN A2099 15.190 4.591 6.692 1.00 1.81 O ATOM 675 CB GLN A2099 13.809 6.531 8.038 1.00 2.41 C ATOM 676 CG GLN A2099 13.045 7.760 8.499 1.00 2.99 C ATOM 677 CD GLN A2099 13.638 8.388 9.743 1.00 3.86 C ATOM 678 OE1 GLN A2099 14.222 7.702 10.586 1.00 4.40 O ATOM 679 NE2 GLN A2099 13.486 9.694 9.872 1.00 4.42 N ATOM 0 H GLN A2099 11.815 4.654 8.124 1.00 2.03 H new ATOM 0 HA GLN A2099 12.970 6.426 6.054 1.00 2.09 H new ATOM 0 HB2 GLN A2099 13.950 5.861 8.886 1.00 2.41 H new ATOM 0 HB3 GLN A2099 14.801 6.834 7.702 1.00 2.41 H new ATOM 0 HG2 GLN A2099 13.033 8.497 7.696 1.00 2.99 H new ATOM 0 HG3 GLN A2099 12.009 7.485 8.695 1.00 2.99 H new ATOM 0 HE21 GLN A2099 12.996 10.224 9.151 1.00 4.42 H new ATOM 0 HE22 GLN A2099 13.858 10.172 10.692 1.00 4.42 H new ATOM 688 N PHE A2100 13.376 3.621 5.798 1.00 1.40 N ATOM 689 CA PHE A2100 14.130 2.488 5.282 1.00 1.20 C ATOM 690 C PHE A2100 14.841 2.871 3.989 1.00 1.31 C ATOM 691 O PHE A2100 14.338 2.647 2.888 1.00 1.72 O ATOM 692 CB PHE A2100 13.222 1.277 5.060 1.00 1.32 C ATOM 693 CG PHE A2100 13.950 0.056 4.568 1.00 1.46 C ATOM 694 CD1 PHE A2100 14.926 -0.544 5.347 1.00 1.93 C ATOM 695 CD2 PHE A2100 13.655 -0.494 3.330 1.00 2.04 C ATOM 696 CE1 PHE A2100 15.594 -1.669 4.901 1.00 2.23 C ATOM 697 CE2 PHE A2100 14.320 -1.618 2.880 1.00 2.36 C ATOM 698 CZ PHE A2100 15.290 -2.206 3.666 1.00 2.18 C ATOM 0 H PHE A2100 12.373 3.586 5.614 1.00 1.40 H new ATOM 0 HA PHE A2100 14.879 2.212 6.024 1.00 1.20 H new ATOM 0 HB2 PHE A2100 12.718 1.036 5.996 1.00 1.32 H new ATOM 0 HB3 PHE A2100 12.448 1.542 4.340 1.00 1.32 H new ATOM 0 HD1 PHE A2100 15.168 -0.128 6.314 1.00 1.93 H new ATOM 0 HD2 PHE A2100 12.897 -0.038 2.710 1.00 2.04 H new ATOM 0 HE1 PHE A2100 16.353 -2.127 5.518 1.00 2.23 H new ATOM 0 HE2 PHE A2100 14.081 -2.036 1.913 1.00 2.36 H new ATOM 0 HZ PHE A2100 15.811 -3.085 3.316 1.00 2.18 H new ATOM 708 N VAL A2101 16.011 3.464 4.135 1.00 1.55 N ATOM 709 CA VAL A2101 16.800 3.882 2.992 1.00 1.92 C ATOM 710 C VAL A2101 17.800 2.797 2.620 1.00 2.31 C ATOM 711 O VAL A2101 18.719 2.498 3.384 1.00 2.68 O ATOM 712 CB VAL A2101 17.554 5.191 3.281 1.00 2.35 C ATOM 713 CG1 VAL A2101 18.240 5.701 2.024 1.00 2.67 C ATOM 714 CG2 VAL A2101 16.608 6.240 3.849 1.00 2.45 C ATOM 0 H VAL A2101 16.438 3.668 5.039 1.00 1.55 H new ATOM 0 HA VAL A2101 16.115 4.052 2.162 1.00 1.92 H new ATOM 0 HB VAL A2101 18.322 4.989 4.028 1.00 2.35 H new ATOM 0 HG11 VAL A2101 18.768 6.628 2.248 1.00 2.67 H new ATOM 0 HG12 VAL A2101 18.951 4.955 1.669 1.00 2.67 H new ATOM 0 HG13 VAL A2101 17.493 5.887 1.252 1.00 2.67 H new ATOM 0 HG21 VAL A2101 17.160 7.159 4.047 1.00 2.45 H new ATOM 0 HG22 VAL A2101 15.814 6.441 3.130 1.00 2.45 H new ATOM 0 HG23 VAL A2101 16.172 5.872 4.777 1.00 2.45 H new ATOM 724 N GLY A2102 17.605 2.201 1.455 1.00 2.55 N ATOM 725 CA GLY A2102 18.485 1.147 0.997 1.00 3.15 C ATOM 726 C GLY A2102 18.057 0.614 -0.350 1.00 3.22 C ATOM 727 O GLY A2102 18.161 1.309 -1.359 1.00 3.84 O ATOM 0 H GLY A2102 16.846 2.431 0.813 1.00 2.55 H new ATOM 0 HA2 GLY A2102 19.505 1.526 0.932 1.00 3.15 H new ATOM 0 HA3 GLY A2102 18.492 0.336 1.725 1.00 3.15 H new ATOM 731 N LYS A2103 17.559 -0.611 -0.370 1.00 2.91 N ATOM 732 CA LYS A2103 17.047 -1.200 -1.599 1.00 3.06 C ATOM 733 C LYS A2103 15.707 -1.900 -1.355 1.00 2.39 C ATOM 734 O LYS A2103 15.623 -3.131 -1.335 1.00 2.33 O ATOM 735 CB LYS A2103 18.072 -2.166 -2.208 1.00 3.80 C ATOM 736 CG LYS A2103 18.639 -3.180 -1.224 1.00 4.59 C ATOM 737 CD LYS A2103 19.568 -4.166 -1.914 1.00 5.33 C ATOM 738 CE LYS A2103 20.769 -3.471 -2.537 1.00 6.21 C ATOM 739 NZ LYS A2103 21.617 -4.421 -3.301 1.00 6.78 N ATOM 0 H LYS A2103 17.498 -1.217 0.448 1.00 2.91 H new ATOM 0 HA LYS A2103 16.876 -0.396 -2.314 1.00 3.06 H new ATOM 0 HB2 LYS A2103 17.603 -2.701 -3.034 1.00 3.80 H new ATOM 0 HB3 LYS A2103 18.894 -1.587 -2.629 1.00 3.80 H new ATOM 0 HG2 LYS A2103 19.181 -2.659 -0.435 1.00 4.59 H new ATOM 0 HG3 LYS A2103 17.822 -3.721 -0.746 1.00 4.59 H new ATOM 0 HD2 LYS A2103 19.911 -4.908 -1.193 1.00 5.33 H new ATOM 0 HD3 LYS A2103 19.018 -4.704 -2.687 1.00 5.33 H new ATOM 0 HE2 LYS A2103 20.426 -2.675 -3.199 1.00 6.21 H new ATOM 0 HE3 LYS A2103 21.364 -3.000 -1.754 1.00 6.21 H new ATOM 0 HZ1 LYS A2103 22.426 -3.912 -3.711 1.00 6.78 H new ATOM 0 HZ2 LYS A2103 21.964 -5.166 -2.664 1.00 6.78 H new ATOM 0 HZ3 LYS A2103 21.056 -4.851 -4.064 1.00 6.78 H new ATOM 753 N PRO A2104 14.639 -1.111 -1.157 1.00 2.06 N ATOM 754 CA PRO A2104 13.287 -1.638 -0.956 1.00 1.50 C ATOM 755 C PRO A2104 12.775 -2.359 -2.199 1.00 1.35 C ATOM 756 O PRO A2104 13.088 -1.972 -3.328 1.00 1.62 O ATOM 757 CB PRO A2104 12.439 -0.387 -0.684 1.00 1.62 C ATOM 758 CG PRO A2104 13.417 0.685 -0.346 1.00 2.21 C ATOM 759 CD PRO A2104 14.660 0.358 -1.113 1.00 2.43 C ATOM 0 HA PRO A2104 13.250 -2.369 -0.149 1.00 1.50 H new ATOM 0 HB2 PRO A2104 11.845 -0.117 -1.557 1.00 1.62 H new ATOM 0 HB3 PRO A2104 11.741 -0.556 0.136 1.00 1.62 H new ATOM 0 HG2 PRO A2104 13.033 1.667 -0.623 1.00 2.21 H new ATOM 0 HG3 PRO A2104 13.614 0.711 0.726 1.00 2.21 H new ATOM 0 HD2 PRO A2104 14.645 0.793 -2.112 1.00 2.43 H new ATOM 0 HD3 PRO A2104 15.553 0.735 -0.615 1.00 2.43 H new ATOM 767 N ASP A2105 12.007 -3.416 -1.992 1.00 1.04 N ATOM 768 CA ASP A2105 11.416 -4.146 -3.103 1.00 0.98 C ATOM 769 C ASP A2105 10.226 -3.383 -3.669 1.00 0.79 C ATOM 770 O ASP A2105 9.476 -2.738 -2.925 1.00 0.78 O ATOM 771 CB ASP A2105 10.992 -5.552 -2.678 1.00 1.06 C ATOM 772 CG ASP A2105 12.162 -6.502 -2.554 1.00 1.66 C ATOM 773 OD1 ASP A2105 12.453 -7.215 -3.537 1.00 2.16 O ATOM 774 OD2 ASP A2105 12.803 -6.542 -1.484 1.00 2.33 O ATOM 0 H ASP A2105 11.779 -3.787 -1.070 1.00 1.04 H new ATOM 0 HA ASP A2105 12.174 -4.243 -3.881 1.00 0.98 H new ATOM 0 HB2 ASP A2105 10.471 -5.497 -1.722 1.00 1.06 H new ATOM 0 HB3 ASP A2105 10.283 -5.948 -3.405 1.00 1.06 H new ATOM 779 N PRO A2106 10.058 -3.429 -5.002 1.00 0.77 N ATOM 780 CA PRO A2106 9.004 -2.695 -5.699 1.00 0.73 C ATOM 781 C PRO A2106 7.642 -3.384 -5.639 1.00 0.61 C ATOM 782 O PRO A2106 7.527 -4.589 -5.880 1.00 0.74 O ATOM 783 CB PRO A2106 9.516 -2.645 -7.138 1.00 0.87 C ATOM 784 CG PRO A2106 10.337 -3.878 -7.296 1.00 1.03 C ATOM 785 CD PRO A2106 10.908 -4.193 -5.937 1.00 0.93 C ATOM 0 HA PRO A2106 8.829 -1.718 -5.248 1.00 0.73 H new ATOM 0 HB2 PRO A2106 8.691 -2.626 -7.850 1.00 0.87 H new ATOM 0 HB3 PRO A2106 10.111 -1.749 -7.315 1.00 0.87 H new ATOM 0 HG2 PRO A2106 9.728 -4.705 -7.661 1.00 1.03 H new ATOM 0 HG3 PRO A2106 11.133 -3.723 -8.024 1.00 1.03 H new ATOM 0 HD2 PRO A2106 10.870 -5.262 -5.727 1.00 0.93 H new ATOM 0 HD3 PRO A2106 11.953 -3.890 -5.864 1.00 0.93 H new ATOM 793 N VAL A2107 6.618 -2.608 -5.309 1.00 0.48 N ATOM 794 CA VAL A2107 5.248 -3.102 -5.265 1.00 0.37 C ATOM 795 C VAL A2107 4.265 -1.929 -5.312 1.00 0.35 C ATOM 796 O VAL A2107 4.550 -0.855 -4.776 1.00 0.60 O ATOM 797 CB VAL A2107 4.992 -3.960 -4.000 1.00 0.41 C ATOM 798 CG1 VAL A2107 5.223 -3.150 -2.731 1.00 0.54 C ATOM 799 CG2 VAL A2107 3.586 -4.548 -4.014 1.00 0.46 C ATOM 0 H VAL A2107 6.713 -1.622 -5.065 1.00 0.48 H new ATOM 0 HA VAL A2107 5.094 -3.738 -6.137 1.00 0.37 H new ATOM 0 HB VAL A2107 5.705 -4.784 -4.009 1.00 0.41 H new ATOM 0 HG11 VAL A2107 5.036 -3.778 -1.860 1.00 0.54 H new ATOM 0 HG12 VAL A2107 6.253 -2.795 -2.708 1.00 0.54 H new ATOM 0 HG13 VAL A2107 4.545 -2.297 -2.716 1.00 0.54 H new ATOM 0 HG21 VAL A2107 3.433 -5.146 -3.115 1.00 0.46 H new ATOM 0 HG22 VAL A2107 2.854 -3.741 -4.042 1.00 0.46 H new ATOM 0 HG23 VAL A2107 3.464 -5.179 -4.894 1.00 0.46 H new ATOM 809 N THR A2108 3.134 -2.121 -5.980 1.00 0.32 N ATOM 810 CA THR A2108 2.087 -1.113 -6.001 1.00 0.30 C ATOM 811 C THR A2108 0.832 -1.631 -5.306 1.00 0.30 C ATOM 812 O THR A2108 0.326 -2.710 -5.618 1.00 0.33 O ATOM 813 CB THR A2108 1.739 -0.671 -7.437 1.00 0.33 C ATOM 814 OG1 THR A2108 2.917 -0.180 -8.090 1.00 0.37 O ATOM 815 CG2 THR A2108 0.667 0.419 -7.431 1.00 0.35 C ATOM 0 H THR A2108 2.921 -2.964 -6.513 1.00 0.32 H new ATOM 0 HA THR A2108 2.469 -0.244 -5.465 1.00 0.30 H new ATOM 0 HB THR A2108 1.350 -1.535 -7.976 1.00 0.33 H new ATOM 0 HG1 THR A2108 2.693 0.098 -9.003 1.00 0.37 H new ATOM 0 HG21 THR A2108 0.441 0.712 -8.456 1.00 0.35 H new ATOM 0 HG22 THR A2108 -0.236 0.038 -6.954 1.00 0.35 H new ATOM 0 HG23 THR A2108 1.032 1.285 -6.878 1.00 0.35 H new ATOM 823 N VAL A2109 0.352 -0.859 -4.348 1.00 0.38 N ATOM 824 CA VAL A2109 -0.847 -1.208 -3.606 1.00 0.46 C ATOM 825 C VAL A2109 -2.040 -0.451 -4.196 1.00 0.52 C ATOM 826 O VAL A2109 -1.917 0.731 -4.507 1.00 0.61 O ATOM 827 CB VAL A2109 -0.683 -0.859 -2.112 1.00 0.60 C ATOM 828 CG1 VAL A2109 -1.590 -1.736 -1.264 1.00 0.76 C ATOM 829 CG2 VAL A2109 0.779 -0.993 -1.675 1.00 0.61 C ATOM 0 H VAL A2109 0.779 0.023 -4.063 1.00 0.38 H new ATOM 0 HA VAL A2109 -1.017 -2.282 -3.687 1.00 0.46 H new ATOM 0 HB VAL A2109 -0.977 0.181 -1.966 1.00 0.60 H new ATOM 0 HG11 VAL A2109 -1.464 -1.479 -0.212 1.00 0.76 H new ATOM 0 HG12 VAL A2109 -2.628 -1.575 -1.555 1.00 0.76 H new ATOM 0 HG13 VAL A2109 -1.329 -2.783 -1.416 1.00 0.76 H new ATOM 0 HG21 VAL A2109 0.867 -0.741 -0.618 1.00 0.61 H new ATOM 0 HG22 VAL A2109 1.114 -2.018 -1.833 1.00 0.61 H new ATOM 0 HG23 VAL A2109 1.398 -0.315 -2.262 1.00 0.61 H new ATOM 839 N LYS A2110 -3.186 -1.116 -4.348 1.00 0.53 N ATOM 840 CA LYS A2110 -4.288 -0.556 -5.135 1.00 0.63 C ATOM 841 C LYS A2110 -5.635 -0.665 -4.410 1.00 0.70 C ATOM 842 O LYS A2110 -6.198 -1.746 -4.294 1.00 0.99 O ATOM 843 CB LYS A2110 -4.360 -1.304 -6.477 1.00 0.67 C ATOM 844 CG LYS A2110 -5.031 -0.541 -7.619 1.00 0.85 C ATOM 845 CD LYS A2110 -6.515 -0.277 -7.384 1.00 1.03 C ATOM 846 CE LYS A2110 -7.322 -1.562 -7.229 1.00 1.11 C ATOM 847 NZ LYS A2110 -7.241 -2.431 -8.431 1.00 1.63 N ATOM 0 H LYS A2110 -3.376 -2.032 -3.942 1.00 0.53 H new ATOM 0 HA LYS A2110 -4.092 0.505 -5.290 1.00 0.63 H new ATOM 0 HB2 LYS A2110 -3.347 -1.564 -6.783 1.00 0.67 H new ATOM 0 HB3 LYS A2110 -4.897 -2.240 -6.323 1.00 0.67 H new ATOM 0 HG2 LYS A2110 -4.519 0.411 -7.760 1.00 0.85 H new ATOM 0 HG3 LYS A2110 -4.912 -1.107 -8.543 1.00 0.85 H new ATOM 0 HD2 LYS A2110 -6.634 0.333 -6.489 1.00 1.03 H new ATOM 0 HD3 LYS A2110 -6.914 0.300 -8.218 1.00 1.03 H new ATOM 0 HE2 LYS A2110 -6.960 -2.113 -6.361 1.00 1.11 H new ATOM 0 HE3 LYS A2110 -8.365 -1.311 -7.035 1.00 1.11 H new ATOM 0 HZ1 LYS A2110 -8.113 -2.991 -8.514 1.00 1.63 H new ATOM 0 HZ2 LYS A2110 -7.127 -1.840 -9.279 1.00 1.63 H new ATOM 0 HZ3 LYS A2110 -6.426 -3.071 -8.342 1.00 1.63 H new ATOM 861 N ARG A2111 -6.176 0.456 -3.962 1.00 0.52 N ATOM 862 CA ARG A2111 -7.525 0.464 -3.406 1.00 0.54 C ATOM 863 C ARG A2111 -8.244 1.753 -3.773 1.00 0.44 C ATOM 864 O ARG A2111 -7.658 2.832 -3.726 1.00 0.47 O ATOM 865 CB ARG A2111 -7.499 0.294 -1.887 1.00 0.62 C ATOM 866 CG ARG A2111 -6.650 1.326 -1.176 1.00 0.62 C ATOM 867 CD ARG A2111 -6.833 1.262 0.325 1.00 0.87 C ATOM 868 NE ARG A2111 -5.869 2.107 1.022 1.00 1.86 N ATOM 869 CZ ARG A2111 -5.884 2.327 2.332 1.00 2.47 C ATOM 870 NH1 ARG A2111 -6.884 1.867 3.072 1.00 2.41 N ATOM 871 NH2 ARG A2111 -4.915 3.034 2.897 1.00 3.47 N ATOM 0 H ARG A2111 -5.711 1.364 -3.970 1.00 0.52 H new ATOM 0 HA ARG A2111 -8.066 -0.380 -3.835 1.00 0.54 H new ATOM 0 HB2 ARG A2111 -8.519 0.350 -1.506 1.00 0.62 H new ATOM 0 HB3 ARG A2111 -7.123 -0.701 -1.648 1.00 0.62 H new ATOM 0 HG2 ARG A2111 -5.600 1.166 -1.422 1.00 0.62 H new ATOM 0 HG3 ARG A2111 -6.913 2.322 -1.533 1.00 0.62 H new ATOM 0 HD2 ARG A2111 -7.845 1.576 0.582 1.00 0.87 H new ATOM 0 HD3 ARG A2111 -6.724 0.231 0.661 1.00 0.87 H new ATOM 0 HE ARG A2111 -5.139 2.556 0.469 1.00 1.86 H new ATOM 0 HH11 ARG A2111 -7.643 1.344 2.635 1.00 2.41 H new ATOM 0 HH12 ARG A2111 -6.894 2.037 4.078 1.00 2.41 H new ATOM 0 HH21 ARG A2111 -4.158 3.409 2.326 1.00 3.47 H new ATOM 0 HH22 ARG A2111 -4.927 3.203 3.903 1.00 3.47 H new ATOM 885 N VAL A2112 -9.506 1.636 -4.153 1.00 0.35 N ATOM 886 CA VAL A2112 -10.300 2.803 -4.514 1.00 0.28 C ATOM 887 C VAL A2112 -11.240 3.193 -3.379 1.00 0.25 C ATOM 888 O VAL A2112 -11.550 2.379 -2.509 1.00 0.29 O ATOM 889 CB VAL A2112 -11.116 2.564 -5.804 1.00 0.31 C ATOM 890 CG1 VAL A2112 -10.191 2.319 -6.987 1.00 0.40 C ATOM 891 CG2 VAL A2112 -12.084 1.404 -5.633 1.00 0.32 C ATOM 0 H VAL A2112 -10.003 0.748 -4.220 1.00 0.35 H new ATOM 0 HA VAL A2112 -9.601 3.619 -4.697 1.00 0.28 H new ATOM 0 HB VAL A2112 -11.700 3.463 -6.003 1.00 0.31 H new ATOM 0 HG11 VAL A2112 -10.785 2.153 -7.885 1.00 0.40 H new ATOM 0 HG12 VAL A2112 -9.548 3.187 -7.132 1.00 0.40 H new ATOM 0 HG13 VAL A2112 -9.575 1.441 -6.792 1.00 0.40 H new ATOM 0 HG21 VAL A2112 -12.645 1.259 -6.556 1.00 0.32 H new ATOM 0 HG22 VAL A2112 -11.527 0.496 -5.400 1.00 0.32 H new ATOM 0 HG23 VAL A2112 -12.775 1.624 -4.820 1.00 0.32 H new ATOM 901 N ASP A2113 -11.663 4.448 -3.380 1.00 0.26 N ATOM 902 CA ASP A2113 -12.605 4.947 -2.386 1.00 0.31 C ATOM 903 C ASP A2113 -14.026 4.943 -2.945 1.00 0.33 C ATOM 904 O ASP A2113 -14.284 4.348 -3.994 1.00 0.34 O ATOM 905 CB ASP A2113 -12.216 6.356 -1.909 1.00 0.40 C ATOM 906 CG ASP A2113 -12.212 7.401 -3.014 1.00 0.55 C ATOM 907 OD1 ASP A2113 -12.861 7.184 -4.057 1.00 0.85 O ATOM 908 OD2 ASP A2113 -11.571 8.455 -2.834 1.00 1.46 O ATOM 0 H ASP A2113 -11.367 5.145 -4.063 1.00 0.26 H new ATOM 0 HA ASP A2113 -12.568 4.280 -1.525 1.00 0.31 H new ATOM 0 HB2 ASP A2113 -12.910 6.669 -1.129 1.00 0.40 H new ATOM 0 HB3 ASP A2113 -11.225 6.315 -1.457 1.00 0.40 H new ATOM 913 N LYS A2114 -14.941 5.600 -2.237 1.00 0.40 N ATOM 914 CA LYS A2114 -16.352 5.631 -2.621 1.00 0.46 C ATOM 915 C LYS A2114 -16.554 6.134 -4.053 1.00 0.52 C ATOM 916 O LYS A2114 -17.365 5.582 -4.798 1.00 0.65 O ATOM 917 CB LYS A2114 -17.146 6.513 -1.659 1.00 0.55 C ATOM 918 CG LYS A2114 -17.087 6.051 -0.215 1.00 0.58 C ATOM 919 CD LYS A2114 -17.934 6.938 0.679 1.00 0.69 C ATOM 920 CE LYS A2114 -17.806 6.543 2.140 1.00 0.83 C ATOM 921 NZ LYS A2114 -18.591 7.442 3.024 1.00 1.72 N ATOM 0 H LYS A2114 -14.729 6.123 -1.387 1.00 0.40 H new ATOM 0 HA LYS A2114 -16.715 4.605 -2.571 1.00 0.46 H new ATOM 0 HB2 LYS A2114 -16.768 7.533 -1.720 1.00 0.55 H new ATOM 0 HB3 LYS A2114 -18.187 6.539 -1.980 1.00 0.55 H new ATOM 0 HG2 LYS A2114 -17.436 5.021 -0.145 1.00 0.58 H new ATOM 0 HG3 LYS A2114 -16.054 6.062 0.131 1.00 0.58 H new ATOM 0 HD2 LYS A2114 -17.630 7.977 0.554 1.00 0.69 H new ATOM 0 HD3 LYS A2114 -18.978 6.872 0.374 1.00 0.69 H new ATOM 0 HE2 LYS A2114 -18.147 5.516 2.270 1.00 0.83 H new ATOM 0 HE3 LYS A2114 -16.757 6.570 2.433 1.00 0.83 H new ATOM 0 HZ1 LYS A2114 -18.479 7.141 4.013 1.00 1.72 H new ATOM 0 HZ2 LYS A2114 -18.249 8.418 2.918 1.00 1.72 H new ATOM 0 HZ3 LYS A2114 -19.596 7.397 2.760 1.00 1.72 H new ATOM 935 N ASN A2115 -15.816 7.168 -4.447 1.00 0.52 N ATOM 936 CA ASN A2115 -16.001 7.757 -5.772 1.00 0.60 C ATOM 937 C ASN A2115 -15.160 7.026 -6.807 1.00 0.54 C ATOM 938 O ASN A2115 -15.488 7.018 -7.994 1.00 0.70 O ATOM 939 CB ASN A2115 -15.660 9.254 -5.783 1.00 0.72 C ATOM 940 CG ASN A2115 -14.215 9.543 -5.442 1.00 0.99 C ATOM 941 OD1 ASN A2115 -13.960 9.837 -4.179 1.00 1.84 O flip ATOM 942 ND2 ASN A2115 -13.341 9.526 -6.310 1.00 1.11 N flip ATOM 0 H ASN A2115 -15.094 7.611 -3.878 1.00 0.52 H new ATOM 0 HA ASN A2115 -17.055 7.650 -6.028 1.00 0.60 H new ATOM 0 HB2 ASN A2115 -15.882 9.662 -6.769 1.00 0.72 H new ATOM 0 HB3 ASN A2115 -16.304 9.771 -5.072 1.00 0.72 H new ATOM 0 HD21 ASN A2115 -13.583 9.293 -7.273 1.00 1.11 H new ATOM 0 HD22 ASN A2115 -12.375 9.745 -6.066 1.00 1.11 H new ATOM 949 N GLY A2116 -14.081 6.408 -6.356 1.00 0.38 N ATOM 950 CA GLY A2116 -13.233 5.654 -7.254 1.00 0.39 C ATOM 951 C GLY A2116 -11.820 6.192 -7.299 1.00 0.38 C ATOM 952 O GLY A2116 -11.057 5.871 -8.212 1.00 0.44 O ATOM 0 H GLY A2116 -13.776 6.415 -5.383 1.00 0.38 H new ATOM 0 HA2 GLY A2116 -13.212 4.611 -6.939 1.00 0.39 H new ATOM 0 HA3 GLY A2116 -13.660 5.676 -8.257 1.00 0.39 H new ATOM 956 N THR A2117 -11.470 7.024 -6.329 1.00 0.36 N ATOM 957 CA THR A2117 -10.109 7.520 -6.207 1.00 0.38 C ATOM 958 C THR A2117 -9.209 6.448 -5.599 1.00 0.33 C ATOM 959 O THR A2117 -9.412 6.027 -4.459 1.00 0.33 O ATOM 960 CB THR A2117 -10.047 8.799 -5.350 1.00 0.44 C ATOM 961 OG1 THR A2117 -10.725 9.869 -6.025 1.00 0.57 O ATOM 962 CG2 THR A2117 -8.607 9.204 -5.060 1.00 0.54 C ATOM 0 H THR A2117 -12.111 7.369 -5.615 1.00 0.36 H new ATOM 0 HA THR A2117 -9.757 7.766 -7.209 1.00 0.38 H new ATOM 0 HB THR A2117 -10.539 8.593 -4.399 1.00 0.44 H new ATOM 0 HG1 THR A2117 -10.685 10.680 -5.476 1.00 0.57 H new ATOM 0 HG21 THR A2117 -8.599 10.110 -4.454 1.00 0.54 H new ATOM 0 HG22 THR A2117 -8.105 8.401 -4.520 1.00 0.54 H new ATOM 0 HG23 THR A2117 -8.086 9.391 -5.999 1.00 0.54 H new ATOM 970 N PRO A2118 -8.221 5.965 -6.363 1.00 0.38 N ATOM 971 CA PRO A2118 -7.308 4.940 -5.897 1.00 0.40 C ATOM 972 C PRO A2118 -6.169 5.507 -5.057 1.00 0.35 C ATOM 973 O PRO A2118 -5.238 6.114 -5.588 1.00 0.39 O ATOM 974 CB PRO A2118 -6.757 4.314 -7.187 1.00 0.53 C ATOM 975 CG PRO A2118 -7.285 5.133 -8.325 1.00 0.61 C ATOM 976 CD PRO A2118 -7.917 6.365 -7.739 1.00 0.51 C ATOM 0 HA PRO A2118 -7.814 4.226 -5.248 1.00 0.40 H new ATOM 0 HB2 PRO A2118 -5.667 4.316 -7.183 1.00 0.53 H new ATOM 0 HB3 PRO A2118 -7.074 3.275 -7.279 1.00 0.53 H new ATOM 0 HG2 PRO A2118 -6.480 5.403 -9.009 1.00 0.61 H new ATOM 0 HG3 PRO A2118 -8.015 4.564 -8.901 1.00 0.61 H new ATOM 0 HD2 PRO A2118 -7.239 7.218 -7.770 1.00 0.51 H new ATOM 0 HD3 PRO A2118 -8.817 6.653 -8.282 1.00 0.51 H new ATOM 984 N VAL A2119 -6.263 5.327 -3.747 1.00 0.33 N ATOM 985 CA VAL A2119 -5.133 5.583 -2.868 1.00 0.33 C ATOM 986 C VAL A2119 -4.155 4.442 -3.027 1.00 0.36 C ATOM 987 O VAL A2119 -4.419 3.310 -2.618 1.00 0.39 O ATOM 988 CB VAL A2119 -5.544 5.740 -1.384 1.00 0.39 C ATOM 989 CG1 VAL A2119 -5.533 7.204 -0.985 1.00 0.52 C ATOM 990 CG2 VAL A2119 -6.921 5.150 -1.125 1.00 0.60 C ATOM 0 H VAL A2119 -7.107 5.006 -3.272 1.00 0.33 H new ATOM 0 HA VAL A2119 -4.680 6.533 -3.153 1.00 0.33 H new ATOM 0 HB VAL A2119 -4.818 5.195 -0.781 1.00 0.39 H new ATOM 0 HG11 VAL A2119 -5.824 7.298 0.061 1.00 0.52 H new ATOM 0 HG12 VAL A2119 -4.531 7.611 -1.121 1.00 0.52 H new ATOM 0 HG13 VAL A2119 -6.236 7.756 -1.608 1.00 0.52 H new ATOM 0 HG21 VAL A2119 -7.179 5.277 -0.074 1.00 0.60 H new ATOM 0 HG22 VAL A2119 -7.658 5.661 -1.744 1.00 0.60 H new ATOM 0 HG23 VAL A2119 -6.914 4.088 -1.371 1.00 0.60 H new ATOM 1000 N THR A2120 -3.045 4.742 -3.668 1.00 0.39 N ATOM 1001 CA THR A2120 -2.091 3.730 -4.050 1.00 0.44 C ATOM 1002 C THR A2120 -0.711 4.083 -3.539 1.00 0.53 C ATOM 1003 O THR A2120 -0.417 5.247 -3.267 1.00 0.67 O ATOM 1004 CB THR A2120 -2.038 3.573 -5.589 1.00 0.52 C ATOM 1005 OG1 THR A2120 -1.708 4.827 -6.201 1.00 0.61 O ATOM 1006 CG2 THR A2120 -3.374 3.096 -6.135 1.00 0.55 C ATOM 0 H THR A2120 -2.782 5.690 -3.936 1.00 0.39 H new ATOM 0 HA THR A2120 -2.413 2.788 -3.607 1.00 0.44 H new ATOM 0 HB THR A2120 -1.274 2.832 -5.822 1.00 0.52 H new ATOM 0 HG1 THR A2120 -1.675 4.717 -7.174 1.00 0.61 H new ATOM 0 HG21 THR A2120 -3.309 2.994 -7.218 1.00 0.55 H new ATOM 0 HG22 THR A2120 -3.624 2.131 -5.694 1.00 0.55 H new ATOM 0 HG23 THR A2120 -4.149 3.820 -5.885 1.00 0.55 H new ATOM 1014 N ALA A2121 0.121 3.079 -3.389 1.00 0.53 N ATOM 1015 CA ALA A2121 1.510 3.301 -3.071 1.00 0.65 C ATOM 1016 C ALA A2121 2.362 2.526 -4.050 1.00 0.73 C ATOM 1017 O ALA A2121 2.167 1.324 -4.230 1.00 0.69 O ATOM 1018 CB ALA A2121 1.810 2.880 -1.639 1.00 0.70 C ATOM 0 H ALA A2121 -0.142 2.098 -3.483 1.00 0.53 H new ATOM 0 HA ALA A2121 1.738 4.364 -3.153 1.00 0.65 H new ATOM 0 HB1 ALA A2121 2.863 3.056 -1.421 1.00 0.70 H new ATOM 0 HB2 ALA A2121 1.195 3.462 -0.952 1.00 0.70 H new ATOM 0 HB3 ALA A2121 1.587 1.820 -1.517 1.00 0.70 H new ATOM 1024 N THR A2122 3.292 3.209 -4.683 1.00 0.98 N ATOM 1025 CA THR A2122 4.166 2.580 -5.648 1.00 1.15 C ATOM 1026 C THR A2122 5.592 2.636 -5.142 1.00 0.99 C ATOM 1027 O THR A2122 6.262 3.667 -5.228 1.00 1.22 O ATOM 1028 CB THR A2122 4.065 3.254 -7.028 1.00 1.63 C ATOM 1029 OG1 THR A2122 2.698 3.248 -7.466 1.00 2.19 O ATOM 1030 CG2 THR A2122 4.926 2.533 -8.053 1.00 2.08 C ATOM 0 H THR A2122 3.462 4.205 -4.545 1.00 0.98 H new ATOM 0 HA THR A2122 3.856 1.542 -5.768 1.00 1.15 H new ATOM 0 HB THR A2122 4.423 4.279 -6.936 1.00 1.63 H new ATOM 0 HG1 THR A2122 2.634 3.679 -8.344 1.00 2.19 H new ATOM 0 HG21 THR A2122 4.836 3.030 -9.019 1.00 2.08 H new ATOM 0 HG22 THR A2122 5.967 2.552 -7.731 1.00 2.08 H new ATOM 0 HG23 THR A2122 4.593 1.499 -8.145 1.00 2.08 H new ATOM 1038 N TYR A2123 6.036 1.533 -4.584 1.00 0.85 N ATOM 1039 CA TYR A2123 7.342 1.469 -3.976 1.00 0.77 C ATOM 1040 C TYR A2123 8.355 0.844 -4.914 1.00 0.94 C ATOM 1041 O TYR A2123 8.018 -0.023 -5.717 1.00 1.20 O ATOM 1042 CB TYR A2123 7.257 0.719 -2.650 1.00 0.83 C ATOM 1043 CG TYR A2123 7.077 1.664 -1.493 1.00 1.21 C ATOM 1044 CD1 TYR A2123 5.813 2.080 -1.100 1.00 1.93 C ATOM 1045 CD2 TYR A2123 8.177 2.167 -0.816 1.00 1.82 C ATOM 1046 CE1 TYR A2123 5.650 2.972 -0.061 1.00 2.36 C ATOM 1047 CE2 TYR A2123 8.026 3.054 0.226 1.00 2.26 C ATOM 1048 CZ TYR A2123 6.760 3.457 0.599 1.00 2.25 C ATOM 1049 OH TYR A2123 6.604 4.350 1.633 1.00 2.81 O ATOM 0 H TYR A2123 5.506 0.663 -4.540 1.00 0.85 H new ATOM 0 HA TYR A2123 7.688 2.483 -3.774 1.00 0.77 H new ATOM 0 HB2 TYR A2123 6.424 0.017 -2.681 1.00 0.83 H new ATOM 0 HB3 TYR A2123 8.164 0.132 -2.504 1.00 0.83 H new ATOM 0 HD1 TYR A2123 4.944 1.699 -1.616 1.00 1.93 H new ATOM 0 HD2 TYR A2123 9.169 1.858 -1.111 1.00 1.82 H new ATOM 0 HE1 TYR A2123 4.660 3.289 0.234 1.00 2.36 H new ATOM 0 HE2 TYR A2123 8.893 3.432 0.748 1.00 2.26 H new ATOM 0 HH TYR A2123 7.483 4.592 1.991 1.00 2.81 H new ATOM 1059 N SER A2124 9.585 1.327 -4.834 1.00 1.07 N ATOM 1060 CA SER A2124 10.662 0.872 -5.695 1.00 1.29 C ATOM 1061 C SER A2124 12.001 1.063 -4.980 1.00 1.24 C ATOM 1062 O SER A2124 12.032 1.692 -3.920 1.00 1.31 O ATOM 1063 CB SER A2124 10.638 1.662 -7.012 1.00 1.66 C ATOM 1064 OG SER A2124 9.375 1.568 -7.651 1.00 2.06 O ATOM 0 H SER A2124 9.864 2.047 -4.168 1.00 1.07 H new ATOM 0 HA SER A2124 10.531 -0.186 -5.920 1.00 1.29 H new ATOM 0 HB2 SER A2124 10.870 2.708 -6.814 1.00 1.66 H new ATOM 0 HB3 SER A2124 11.413 1.284 -7.678 1.00 1.66 H new ATOM 0 HG SER A2124 9.391 2.082 -8.485 1.00 2.06 H new ATOM 1070 N PRO A2125 13.114 0.508 -5.516 1.00 1.46 N ATOM 1071 CA PRO A2125 14.449 0.678 -4.926 1.00 1.71 C ATOM 1072 C PRO A2125 14.756 2.130 -4.556 1.00 1.73 C ATOM 1073 O PRO A2125 15.150 2.425 -3.426 1.00 2.16 O ATOM 1074 CB PRO A2125 15.385 0.204 -6.035 1.00 2.09 C ATOM 1075 CG PRO A2125 14.594 -0.807 -6.786 1.00 2.09 C ATOM 1076 CD PRO A2125 13.159 -0.357 -6.717 1.00 1.75 C ATOM 0 HA PRO A2125 14.549 0.126 -3.991 1.00 1.71 H new ATOM 0 HB2 PRO A2125 15.687 1.030 -6.679 1.00 2.09 H new ATOM 0 HB3 PRO A2125 16.297 -0.230 -5.626 1.00 2.09 H new ATOM 0 HG2 PRO A2125 14.931 -0.874 -7.820 1.00 2.09 H new ATOM 0 HG3 PRO A2125 14.712 -1.798 -6.347 1.00 2.09 H new ATOM 0 HD2 PRO A2125 12.868 0.190 -7.614 1.00 1.75 H new ATOM 0 HD3 PRO A2125 12.479 -1.204 -6.625 1.00 1.75 H new