USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 559 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: B 20 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 24 LYS NZ :NH3+ -147:sc= 0.823 (180deg=0.378) USER MOD Set 2.1: A2085 GLN : amide:sc= 0.774 K(o=1.6,f=-0.13) USER MOD Set 2.2: A2089 ASN : amide:sc= 0.794 K(o=1.6,f=-0.54) USER MOD Set 3.1: A2080 SER OG : rot 180:sc= 0.33 USER MOD Set 3.2: A2082 GLN : amide:sc= -0.562 K(o=-0.23,f=-2.3!) USER MOD Single : A2064 SER OG : rot 180:sc= 0 USER MOD Single : A2066 SER OG : rot 180:sc= 0 USER MOD Single : A2069 GLN : amide:sc= -0.06 X(o=-0.06,f=-0.14) USER MOD Single : A2074 THR OG1 : rot 79:sc= 1.16 USER MOD Single : A2076 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2077 SER OG : rot 180:sc= 0 USER MOD Single : A2079 SER OG : rot 180:sc= 0 USER MOD Single : A2083 GLN : amide:sc= 0.749 K(o=0.75,f=-0.73) USER MOD Single : A2084 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2086 GLN : amide:sc= -0.0807 X(o=-0.081,f=-0.081) USER MOD Single : A2092 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2093 SER OG : rot 79:sc= 1.23 USER MOD Single : A2094 ASN : amide:sc= 0.545 K(o=0.54,f=-2.7!) USER MOD Single : A2096 GLN : amide:sc= -2.02 K(o=-2,f=-0.97) USER MOD Single : A2098 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A2103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2104 GLN : amide:sc= -0.0997 X(o=-0.1,f=-0.1) USER MOD Single : A2106 THR OG1 : rot 180:sc= 0 USER MOD Single : A2108 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0144) USER MOD Single : B 18 THR OG1 : rot -33:sc= 0.019 USER MOD Single : B 44 MET CE :methyl 168:sc= -0.0135 (180deg=-0.113) USER MOD Single : B 46 SER OG : rot -62:sc= 1.27 USER MOD Single : B 52 GLN : amide:sc= 1.38 K(o=1.4,f=-7.1!) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 64 N ILE A2063 5.577 -5.006 -15.157 1.00 0.00 N ATOM 65 CA ILE A2063 6.450 -6.086 -15.651 1.00 0.00 C ATOM 66 C ILE A2063 5.939 -6.651 -16.989 1.00 0.00 C ATOM 67 O ILE A2063 4.755 -6.512 -17.311 1.00 0.00 O ATOM 68 CB ILE A2063 6.596 -7.222 -14.604 1.00 0.00 C ATOM 69 CG1 ILE A2063 5.265 -7.960 -14.318 1.00 0.00 C ATOM 70 CG2 ILE A2063 7.203 -6.663 -13.307 1.00 0.00 C ATOM 71 CD1 ILE A2063 5.412 -9.191 -13.414 1.00 0.00 C ATOM 0 HA ILE A2063 7.435 -5.651 -15.818 1.00 0.00 H new ATOM 0 HB ILE A2063 7.268 -7.967 -15.030 1.00 0.00 H new ATOM 0 HG12 ILE A2063 4.568 -7.263 -13.853 1.00 0.00 H new ATOM 0 HG13 ILE A2063 4.823 -8.269 -15.265 1.00 0.00 H new ATOM 0 HG21 ILE A2063 7.303 -7.466 -12.576 1.00 0.00 H new ATOM 0 HG22 ILE A2063 8.185 -6.240 -13.518 1.00 0.00 H new ATOM 0 HG23 ILE A2063 6.552 -5.886 -12.906 1.00 0.00 H new ATOM 0 HD11 ILE A2063 4.435 -9.650 -13.263 1.00 0.00 H new ATOM 0 HD12 ILE A2063 6.082 -9.910 -13.885 1.00 0.00 H new ATOM 0 HD13 ILE A2063 5.823 -8.888 -12.451 1.00 0.00 H new ATOM 83 N SER A2064 6.814 -7.321 -17.744 1.00 0.00 N ATOM 84 CA SER A2064 6.485 -7.952 -19.036 1.00 0.00 C ATOM 85 C SER A2064 7.138 -9.340 -19.170 1.00 0.00 C ATOM 86 O SER A2064 8.310 -9.491 -18.813 1.00 0.00 O ATOM 87 CB SER A2064 6.960 -7.070 -20.203 1.00 0.00 C ATOM 88 OG SER A2064 6.298 -5.813 -20.200 1.00 0.00 O ATOM 0 H SER A2064 7.790 -7.445 -17.474 1.00 0.00 H new ATOM 0 HA SER A2064 5.401 -8.065 -19.070 1.00 0.00 H new ATOM 0 HB2 SER A2064 8.037 -6.917 -20.132 1.00 0.00 H new ATOM 0 HB3 SER A2064 6.773 -7.580 -21.148 1.00 0.00 H new ATOM 0 HG SER A2064 6.620 -5.272 -20.951 1.00 0.00 H new ATOM 94 N PRO A2065 6.432 -10.364 -19.696 1.00 0.00 N ATOM 95 CA PRO A2065 6.980 -11.716 -19.858 1.00 0.00 C ATOM 96 C PRO A2065 8.093 -11.791 -20.915 1.00 0.00 C ATOM 97 O PRO A2065 8.938 -12.678 -20.835 1.00 0.00 O ATOM 98 CB PRO A2065 5.784 -12.601 -20.225 1.00 0.00 C ATOM 99 CG PRO A2065 4.821 -11.636 -20.914 1.00 0.00 C ATOM 100 CD PRO A2065 5.053 -10.322 -20.169 1.00 0.00 C ATOM 0 HA PRO A2065 7.463 -12.048 -18.939 1.00 0.00 H new ATOM 0 HB2 PRO A2065 6.077 -13.416 -20.887 1.00 0.00 H new ATOM 0 HB3 PRO A2065 5.334 -13.054 -19.341 1.00 0.00 H new ATOM 0 HG2 PRO A2065 5.039 -11.540 -21.978 1.00 0.00 H new ATOM 0 HG3 PRO A2065 3.787 -11.970 -20.830 1.00 0.00 H new ATOM 0 HD2 PRO A2065 4.892 -9.468 -20.826 1.00 0.00 H new ATOM 0 HD3 PRO A2065 4.358 -10.218 -19.336 1.00 0.00 H new ATOM 108 N SER A2066 8.154 -10.853 -21.866 1.00 0.00 N ATOM 109 CA SER A2066 9.213 -10.775 -22.890 1.00 0.00 C ATOM 110 C SER A2066 10.625 -10.704 -22.286 1.00 0.00 C ATOM 111 O SER A2066 11.575 -11.255 -22.846 1.00 0.00 O ATOM 112 CB SER A2066 8.967 -9.564 -23.795 1.00 0.00 C ATOM 113 OG SER A2066 8.794 -8.386 -23.018 1.00 0.00 O ATOM 0 H SER A2066 7.459 -10.112 -21.951 1.00 0.00 H new ATOM 0 HA SER A2066 9.166 -11.695 -23.472 1.00 0.00 H new ATOM 0 HB2 SER A2066 9.808 -9.436 -24.477 1.00 0.00 H new ATOM 0 HB3 SER A2066 8.082 -9.735 -24.408 1.00 0.00 H new ATOM 0 HG SER A2066 8.640 -7.622 -23.612 1.00 0.00 H new ATOM 119 N ALA A2067 10.760 -10.077 -21.112 1.00 0.00 N ATOM 120 CA ALA A2067 12.010 -9.966 -20.364 1.00 0.00 C ATOM 121 C ALA A2067 12.594 -11.333 -19.967 1.00 0.00 C ATOM 122 O ALA A2067 13.811 -11.506 -19.938 1.00 0.00 O ATOM 123 CB ALA A2067 11.719 -9.124 -19.118 1.00 0.00 C ATOM 0 H ALA A2067 9.977 -9.620 -20.645 1.00 0.00 H new ATOM 0 HA ALA A2067 12.763 -9.497 -20.997 1.00 0.00 H new ATOM 0 HB1 ALA A2067 12.631 -9.017 -18.530 1.00 0.00 H new ATOM 0 HB2 ALA A2067 11.364 -8.139 -19.420 1.00 0.00 H new ATOM 0 HB3 ALA A2067 10.955 -9.616 -18.516 1.00 0.00 H new ATOM 129 N LEU A2068 11.733 -12.319 -19.691 1.00 0.00 N ATOM 130 CA LEU A2068 12.126 -13.677 -19.312 1.00 0.00 C ATOM 131 C LEU A2068 12.825 -14.373 -20.494 1.00 0.00 C ATOM 132 O LEU A2068 13.893 -14.962 -20.321 1.00 0.00 O ATOM 133 CB LEU A2068 10.879 -14.453 -18.834 1.00 0.00 C ATOM 134 CG LEU A2068 10.318 -14.086 -17.442 1.00 0.00 C ATOM 135 CD1 LEU A2068 10.008 -12.605 -17.207 1.00 0.00 C ATOM 136 CD2 LEU A2068 9.035 -14.880 -17.207 1.00 0.00 C ATOM 0 H LEU A2068 10.722 -12.190 -19.726 1.00 0.00 H new ATOM 0 HA LEU A2068 12.840 -13.646 -18.489 1.00 0.00 H new ATOM 0 HB2 LEU A2068 10.087 -14.307 -19.568 1.00 0.00 H new ATOM 0 HB3 LEU A2068 11.121 -15.516 -18.833 1.00 0.00 H new ATOM 0 HG LEU A2068 11.118 -14.333 -16.744 1.00 0.00 H new ATOM 0 HD11 LEU A2068 9.621 -12.470 -16.197 1.00 0.00 H new ATOM 0 HD12 LEU A2068 10.919 -12.019 -17.328 1.00 0.00 H new ATOM 0 HD13 LEU A2068 9.263 -12.270 -17.929 1.00 0.00 H new ATOM 0 HD21 LEU A2068 8.627 -14.631 -16.227 1.00 0.00 H new ATOM 0 HD22 LEU A2068 8.306 -14.630 -17.978 1.00 0.00 H new ATOM 0 HD23 LEU A2068 9.255 -15.947 -17.248 1.00 0.00 H new ATOM 148 N GLN A2069 12.268 -14.259 -21.707 1.00 0.00 N ATOM 149 CA GLN A2069 12.878 -14.811 -22.926 1.00 0.00 C ATOM 150 C GLN A2069 14.192 -14.088 -23.275 1.00 0.00 C ATOM 151 O GLN A2069 15.176 -14.729 -23.648 1.00 0.00 O ATOM 152 CB GLN A2069 11.910 -14.729 -24.122 1.00 0.00 C ATOM 153 CG GLN A2069 10.718 -15.699 -24.048 1.00 0.00 C ATOM 154 CD GLN A2069 9.575 -15.188 -23.174 1.00 0.00 C ATOM 155 OE1 GLN A2069 8.823 -14.300 -23.552 1.00 0.00 O ATOM 156 NE2 GLN A2069 9.383 -15.734 -21.992 1.00 0.00 N ATOM 0 H GLN A2069 11.382 -13.782 -21.872 1.00 0.00 H new ATOM 0 HA GLN A2069 13.099 -15.859 -22.723 1.00 0.00 H new ATOM 0 HB2 GLN A2069 11.529 -13.710 -24.195 1.00 0.00 H new ATOM 0 HB3 GLN A2069 12.467 -14.927 -25.038 1.00 0.00 H new ATOM 0 HG2 GLN A2069 10.343 -15.880 -25.055 1.00 0.00 H new ATOM 0 HG3 GLN A2069 11.062 -16.657 -23.660 1.00 0.00 H new ATOM 0 HE21 GLN A2069 10.003 -16.475 -21.666 1.00 0.00 H new ATOM 0 HE22 GLN A2069 8.614 -15.416 -21.402 1.00 0.00 H new ATOM 165 N ASP A2070 14.231 -12.757 -23.141 1.00 0.00 N ATOM 166 CA ASP A2070 15.427 -11.954 -23.426 1.00 0.00 C ATOM 167 C ASP A2070 16.572 -12.258 -22.439 1.00 0.00 C ATOM 168 O ASP A2070 17.736 -12.348 -22.836 1.00 0.00 O ATOM 169 CB ASP A2070 15.030 -10.464 -23.419 1.00 0.00 C ATOM 170 CG ASP A2070 16.005 -9.516 -24.145 1.00 0.00 C ATOM 171 OD1 ASP A2070 16.897 -9.983 -24.892 1.00 0.00 O ATOM 172 OD2 ASP A2070 15.824 -8.283 -24.052 1.00 0.00 O ATOM 0 H ASP A2070 13.432 -12.204 -22.831 1.00 0.00 H new ATOM 0 HA ASP A2070 15.814 -12.215 -24.411 1.00 0.00 H new ATOM 0 HB2 ASP A2070 14.046 -10.366 -23.877 1.00 0.00 H new ATOM 0 HB3 ASP A2070 14.934 -10.136 -22.384 1.00 0.00 H new ATOM 177 N LEU A2071 16.270 -12.478 -21.151 1.00 0.00 N ATOM 178 CA LEU A2071 17.294 -12.853 -20.170 1.00 0.00 C ATOM 179 C LEU A2071 17.792 -14.286 -20.422 1.00 0.00 C ATOM 180 O LEU A2071 18.993 -14.534 -20.323 1.00 0.00 O ATOM 181 CB LEU A2071 16.777 -12.603 -18.742 1.00 0.00 C ATOM 182 CG LEU A2071 17.821 -12.779 -17.615 1.00 0.00 C ATOM 183 CD1 LEU A2071 19.192 -12.170 -17.920 1.00 0.00 C ATOM 184 CD2 LEU A2071 17.296 -12.140 -16.326 1.00 0.00 C ATOM 0 H LEU A2071 15.328 -12.403 -20.767 1.00 0.00 H new ATOM 0 HA LEU A2071 18.172 -12.218 -20.288 1.00 0.00 H new ATOM 0 HB2 LEU A2071 16.380 -11.589 -18.690 1.00 0.00 H new ATOM 0 HB3 LEU A2071 15.945 -13.281 -18.552 1.00 0.00 H new ATOM 0 HG LEU A2071 17.963 -13.855 -17.515 1.00 0.00 H new ATOM 0 HD11 LEU A2071 19.861 -12.340 -17.077 1.00 0.00 H new ATOM 0 HD12 LEU A2071 19.607 -12.638 -18.813 1.00 0.00 H new ATOM 0 HD13 LEU A2071 19.085 -11.098 -18.088 1.00 0.00 H new ATOM 0 HD21 LEU A2071 18.032 -12.264 -15.532 1.00 0.00 H new ATOM 0 HD22 LEU A2071 17.118 -11.078 -16.493 1.00 0.00 H new ATOM 0 HD23 LEU A2071 16.363 -12.623 -16.034 1.00 0.00 H new ATOM 196 N LEU A2072 16.917 -15.218 -20.833 1.00 0.00 N ATOM 197 CA LEU A2072 17.342 -16.569 -21.223 1.00 0.00 C ATOM 198 C LEU A2072 18.293 -16.513 -22.429 1.00 0.00 C ATOM 199 O LEU A2072 19.369 -17.109 -22.374 1.00 0.00 O ATOM 200 CB LEU A2072 16.130 -17.461 -21.551 1.00 0.00 C ATOM 201 CG LEU A2072 15.387 -18.043 -20.337 1.00 0.00 C ATOM 202 CD1 LEU A2072 14.137 -18.770 -20.839 1.00 0.00 C ATOM 203 CD2 LEU A2072 16.232 -19.052 -19.552 1.00 0.00 C ATOM 0 H LEU A2072 15.912 -15.059 -20.903 1.00 0.00 H new ATOM 0 HA LEU A2072 17.871 -17.005 -20.376 1.00 0.00 H new ATOM 0 HB2 LEU A2072 15.423 -16.880 -22.143 1.00 0.00 H new ATOM 0 HB3 LEU A2072 16.468 -18.286 -22.178 1.00 0.00 H new ATOM 0 HG LEU A2072 15.147 -17.213 -19.672 1.00 0.00 H new ATOM 0 HD11 LEU A2072 13.596 -19.190 -19.992 1.00 0.00 H new ATOM 0 HD12 LEU A2072 13.494 -18.066 -21.367 1.00 0.00 H new ATOM 0 HD13 LEU A2072 14.430 -19.572 -21.516 1.00 0.00 H new ATOM 0 HD21 LEU A2072 15.656 -19.429 -18.707 1.00 0.00 H new ATOM 0 HD22 LEU A2072 16.506 -19.882 -20.203 1.00 0.00 H new ATOM 0 HD23 LEU A2072 17.135 -18.564 -19.187 1.00 0.00 H new ATOM 215 N ARG A2073 17.950 -15.777 -23.501 1.00 0.00 N ATOM 216 CA ARG A2073 18.836 -15.654 -24.677 1.00 0.00 C ATOM 217 C ARG A2073 20.165 -14.962 -24.337 1.00 0.00 C ATOM 218 O ARG A2073 21.201 -15.337 -24.882 1.00 0.00 O ATOM 219 CB ARG A2073 18.102 -15.067 -25.900 1.00 0.00 C ATOM 220 CG ARG A2073 18.081 -13.541 -25.983 1.00 0.00 C ATOM 221 CD ARG A2073 17.325 -13.050 -27.220 1.00 0.00 C ATOM 222 NE ARG A2073 17.096 -11.604 -27.109 1.00 0.00 N ATOM 223 CZ ARG A2073 16.701 -10.749 -28.026 1.00 0.00 C ATOM 224 NH1 ARG A2073 16.476 -11.084 -29.265 1.00 0.00 N ATOM 225 NH2 ARG A2073 16.524 -9.516 -27.663 1.00 0.00 N ATOM 0 H ARG A2073 17.073 -15.261 -23.580 1.00 0.00 H new ATOM 0 HA ARG A2073 19.120 -16.662 -24.979 1.00 0.00 H new ATOM 0 HB2 ARG A2073 18.570 -15.457 -26.804 1.00 0.00 H new ATOM 0 HB3 ARG A2073 17.073 -15.428 -25.892 1.00 0.00 H new ATOM 0 HG2 ARG A2073 17.614 -13.134 -25.086 1.00 0.00 H new ATOM 0 HG3 ARG A2073 19.103 -13.164 -26.008 1.00 0.00 H new ATOM 0 HD2 ARG A2073 17.897 -13.271 -28.121 1.00 0.00 H new ATOM 0 HD3 ARG A2073 16.374 -13.574 -27.310 1.00 0.00 H new ATOM 0 HE ARG A2073 17.268 -11.205 -26.186 1.00 0.00 H new ATOM 0 HH11 ARG A2073 16.605 -12.051 -29.563 1.00 0.00 H new ATOM 0 HH12 ARG A2073 16.171 -10.379 -29.936 1.00 0.00 H new ATOM 0 HH21 ARG A2073 16.691 -9.240 -26.695 1.00 0.00 H new ATOM 0 HH22 ARG A2073 16.218 -8.822 -28.345 1.00 0.00 H new ATOM 239 N THR A2074 20.149 -14.005 -23.402 1.00 0.00 N ATOM 240 CA THR A2074 21.352 -13.311 -22.901 1.00 0.00 C ATOM 241 C THR A2074 22.256 -14.284 -22.126 1.00 0.00 C ATOM 242 O THR A2074 23.458 -14.349 -22.388 1.00 0.00 O ATOM 243 CB THR A2074 20.958 -12.107 -22.027 1.00 0.00 C ATOM 244 OG1 THR A2074 20.237 -11.166 -22.797 1.00 0.00 O ATOM 245 CG2 THR A2074 22.155 -11.355 -21.453 1.00 0.00 C ATOM 0 H THR A2074 19.287 -13.682 -22.962 1.00 0.00 H new ATOM 0 HA THR A2074 21.916 -12.937 -23.756 1.00 0.00 H new ATOM 0 HB THR A2074 20.369 -12.524 -21.210 1.00 0.00 H new ATOM 0 HG1 THR A2074 19.309 -11.466 -22.895 1.00 0.00 H new ATOM 0 HG21 THR A2074 21.804 -10.519 -20.848 1.00 0.00 H new ATOM 0 HG22 THR A2074 22.745 -12.030 -20.832 1.00 0.00 H new ATOM 0 HG23 THR A2074 22.773 -10.978 -22.268 1.00 0.00 H new ATOM 253 N LEU A2075 21.691 -15.090 -21.214 1.00 0.00 N ATOM 254 CA LEU A2075 22.413 -16.126 -20.454 1.00 0.00 C ATOM 255 C LEU A2075 23.030 -17.184 -21.386 1.00 0.00 C ATOM 256 O LEU A2075 24.150 -17.646 -21.162 1.00 0.00 O ATOM 257 CB LEU A2075 21.429 -16.783 -19.461 1.00 0.00 C ATOM 258 CG LEU A2075 21.995 -17.989 -18.679 1.00 0.00 C ATOM 259 CD1 LEU A2075 23.132 -17.590 -17.738 1.00 0.00 C ATOM 260 CD2 LEU A2075 20.888 -18.658 -17.867 1.00 0.00 C ATOM 0 H LEU A2075 20.700 -15.040 -20.978 1.00 0.00 H new ATOM 0 HA LEU A2075 23.236 -15.661 -19.912 1.00 0.00 H new ATOM 0 HB2 LEU A2075 21.100 -16.028 -18.746 1.00 0.00 H new ATOM 0 HB3 LEU A2075 20.546 -17.108 -20.010 1.00 0.00 H new ATOM 0 HG LEU A2075 22.395 -18.684 -19.417 1.00 0.00 H new ATOM 0 HD11 LEU A2075 23.495 -18.473 -17.212 1.00 0.00 H new ATOM 0 HD12 LEU A2075 23.946 -17.151 -18.316 1.00 0.00 H new ATOM 0 HD13 LEU A2075 22.767 -16.861 -17.015 1.00 0.00 H new ATOM 0 HD21 LEU A2075 21.300 -19.506 -17.320 1.00 0.00 H new ATOM 0 HD22 LEU A2075 20.470 -17.940 -17.161 1.00 0.00 H new ATOM 0 HD23 LEU A2075 20.103 -19.006 -18.539 1.00 0.00 H new ATOM 272 N LYS A2076 22.291 -17.568 -22.433 1.00 0.00 N ATOM 273 CA LYS A2076 22.676 -18.580 -23.440 1.00 0.00 C ATOM 274 C LYS A2076 23.754 -18.131 -24.456 1.00 0.00 C ATOM 275 O LYS A2076 23.999 -18.835 -25.439 1.00 0.00 O ATOM 276 CB LYS A2076 21.402 -19.108 -24.136 1.00 0.00 C ATOM 277 CG LYS A2076 20.553 -20.030 -23.240 1.00 0.00 C ATOM 278 CD LYS A2076 21.199 -21.410 -23.035 1.00 0.00 C ATOM 279 CE LYS A2076 20.290 -22.309 -22.188 1.00 0.00 C ATOM 280 NZ LYS A2076 20.878 -23.665 -22.017 1.00 0.00 N ATOM 0 H LYS A2076 21.370 -17.170 -22.615 1.00 0.00 H new ATOM 0 HA LYS A2076 23.171 -19.386 -22.898 1.00 0.00 H new ATOM 0 HB2 LYS A2076 20.793 -18.262 -24.454 1.00 0.00 H new ATOM 0 HB3 LYS A2076 21.688 -19.651 -25.037 1.00 0.00 H new ATOM 0 HG2 LYS A2076 20.406 -19.554 -22.271 1.00 0.00 H new ATOM 0 HG3 LYS A2076 19.567 -20.157 -23.686 1.00 0.00 H new ATOM 0 HD2 LYS A2076 21.385 -21.878 -24.002 1.00 0.00 H new ATOM 0 HD3 LYS A2076 22.166 -21.296 -22.545 1.00 0.00 H new ATOM 0 HE2 LYS A2076 20.132 -21.853 -21.211 1.00 0.00 H new ATOM 0 HE3 LYS A2076 19.312 -22.392 -22.663 1.00 0.00 H new ATOM 0 HZ1 LYS A2076 20.240 -24.250 -21.440 1.00 0.00 H new ATOM 0 HZ2 LYS A2076 21.005 -24.108 -22.949 1.00 0.00 H new ATOM 0 HZ3 LYS A2076 21.800 -23.586 -21.542 1.00 0.00 H new ATOM 294 N SER A2077 24.430 -17.009 -24.210 1.00 0.00 N ATOM 295 CA SER A2077 25.518 -16.454 -25.037 1.00 0.00 C ATOM 296 C SER A2077 26.798 -16.252 -24.198 1.00 0.00 C ATOM 297 O SER A2077 26.709 -16.169 -22.968 1.00 0.00 O ATOM 298 CB SER A2077 25.046 -15.142 -25.676 1.00 0.00 C ATOM 299 OG SER A2077 24.115 -15.411 -26.711 1.00 0.00 O ATOM 0 H SER A2077 24.230 -16.431 -23.394 1.00 0.00 H new ATOM 0 HA SER A2077 25.768 -17.158 -25.831 1.00 0.00 H new ATOM 0 HB2 SER A2077 24.587 -14.505 -24.920 1.00 0.00 H new ATOM 0 HB3 SER A2077 25.900 -14.596 -26.077 1.00 0.00 H new ATOM 0 HG SER A2077 23.818 -14.567 -27.112 1.00 0.00 H new ATOM 305 N PRO A2078 28.000 -16.195 -24.813 1.00 0.00 N ATOM 306 CA PRO A2078 29.267 -16.084 -24.082 1.00 0.00 C ATOM 307 C PRO A2078 29.399 -14.787 -23.270 1.00 0.00 C ATOM 308 O PRO A2078 28.847 -13.742 -23.623 1.00 0.00 O ATOM 309 CB PRO A2078 30.375 -16.220 -25.132 1.00 0.00 C ATOM 310 CG PRO A2078 29.694 -15.765 -26.418 1.00 0.00 C ATOM 311 CD PRO A2078 28.265 -16.278 -26.244 1.00 0.00 C ATOM 0 HA PRO A2078 29.330 -16.868 -23.327 1.00 0.00 H new ATOM 0 HB2 PRO A2078 31.237 -15.598 -24.891 1.00 0.00 H new ATOM 0 HB3 PRO A2078 30.734 -17.246 -25.208 1.00 0.00 H new ATOM 0 HG2 PRO A2078 29.724 -14.681 -26.530 1.00 0.00 H new ATOM 0 HG3 PRO A2078 30.172 -16.190 -27.301 1.00 0.00 H new ATOM 0 HD2 PRO A2078 27.558 -15.673 -26.811 1.00 0.00 H new ATOM 0 HD3 PRO A2078 28.168 -17.302 -26.604 1.00 0.00 H new ATOM 319 N SER A2079 30.156 -14.867 -22.175 1.00 0.00 N ATOM 320 CA SER A2079 30.404 -13.749 -21.255 1.00 0.00 C ATOM 321 C SER A2079 31.177 -12.606 -21.925 1.00 0.00 C ATOM 322 O SER A2079 32.225 -12.820 -22.543 1.00 0.00 O ATOM 323 CB SER A2079 31.165 -14.244 -20.022 1.00 0.00 C ATOM 324 OG SER A2079 31.216 -13.218 -19.044 1.00 0.00 O ATOM 0 H SER A2079 30.625 -15.728 -21.894 1.00 0.00 H new ATOM 0 HA SER A2079 29.434 -13.353 -20.954 1.00 0.00 H new ATOM 0 HB2 SER A2079 30.675 -15.127 -19.611 1.00 0.00 H new ATOM 0 HB3 SER A2079 32.175 -14.542 -20.302 1.00 0.00 H new ATOM 0 HG SER A2079 31.702 -13.540 -18.257 1.00 0.00 H new ATOM 330 N SER A2080 30.658 -11.385 -21.793 1.00 0.00 N ATOM 331 CA SER A2080 31.230 -10.143 -22.329 1.00 0.00 C ATOM 332 C SER A2080 30.627 -8.921 -21.620 1.00 0.00 C ATOM 333 O SER A2080 29.535 -9.036 -21.046 1.00 0.00 O ATOM 334 CB SER A2080 30.951 -10.040 -23.840 1.00 0.00 C ATOM 335 OG SER A2080 29.573 -9.837 -24.107 1.00 0.00 O ATOM 0 H SER A2080 29.787 -11.224 -21.287 1.00 0.00 H new ATOM 0 HA SER A2080 32.306 -10.162 -22.156 1.00 0.00 H new ATOM 0 HB2 SER A2080 31.528 -9.217 -24.261 1.00 0.00 H new ATOM 0 HB3 SER A2080 31.287 -10.951 -24.335 1.00 0.00 H new ATOM 0 HG SER A2080 29.433 -9.775 -25.075 1.00 0.00 H new ATOM 341 N PRO A2081 31.272 -7.735 -21.676 1.00 0.00 N ATOM 342 CA PRO A2081 30.699 -6.498 -21.139 1.00 0.00 C ATOM 343 C PRO A2081 29.297 -6.227 -21.707 1.00 0.00 C ATOM 344 O PRO A2081 28.412 -5.751 -20.999 1.00 0.00 O ATOM 345 CB PRO A2081 31.674 -5.380 -21.530 1.00 0.00 C ATOM 346 CG PRO A2081 32.996 -6.107 -21.754 1.00 0.00 C ATOM 347 CD PRO A2081 32.566 -7.470 -22.290 1.00 0.00 C ATOM 0 HA PRO A2081 30.574 -6.564 -20.058 1.00 0.00 H new ATOM 0 HB2 PRO A2081 31.346 -4.861 -22.431 1.00 0.00 H new ATOM 0 HB3 PRO A2081 31.759 -4.631 -20.743 1.00 0.00 H new ATOM 0 HG2 PRO A2081 33.630 -5.578 -22.465 1.00 0.00 H new ATOM 0 HG3 PRO A2081 33.565 -6.201 -20.829 1.00 0.00 H new ATOM 0 HD2 PRO A2081 32.490 -7.459 -23.377 1.00 0.00 H new ATOM 0 HD3 PRO A2081 33.290 -8.241 -22.029 1.00 0.00 H new ATOM 355 N GLN A2082 29.080 -6.581 -22.980 1.00 0.00 N ATOM 356 CA GLN A2082 27.798 -6.456 -23.679 1.00 0.00 C ATOM 357 C GLN A2082 26.743 -7.398 -23.077 1.00 0.00 C ATOM 358 O GLN A2082 25.610 -6.977 -22.841 1.00 0.00 O ATOM 359 CB GLN A2082 27.987 -6.748 -25.181 1.00 0.00 C ATOM 360 CG GLN A2082 28.804 -5.680 -25.931 1.00 0.00 C ATOM 361 CD GLN A2082 30.293 -5.658 -25.576 1.00 0.00 C ATOM 362 OE1 GLN A2082 30.924 -6.674 -25.319 1.00 0.00 O ATOM 363 NE2 GLN A2082 30.917 -4.500 -25.517 1.00 0.00 N ATOM 0 H GLN A2082 29.815 -6.974 -23.568 1.00 0.00 H new ATOM 0 HA GLN A2082 27.440 -5.434 -23.557 1.00 0.00 H new ATOM 0 HB2 GLN A2082 28.481 -7.713 -25.293 1.00 0.00 H new ATOM 0 HB3 GLN A2082 27.007 -6.835 -25.649 1.00 0.00 H new ATOM 0 HG2 GLN A2082 28.701 -5.848 -27.003 1.00 0.00 H new ATOM 0 HG3 GLN A2082 28.378 -4.699 -25.719 1.00 0.00 H new ATOM 0 HE21 GLN A2082 30.413 -3.638 -25.727 1.00 0.00 H new ATOM 0 HE22 GLN A2082 31.904 -4.465 -25.262 1.00 0.00 H new ATOM 372 N GLN A2083 27.111 -8.651 -22.775 1.00 0.00 N ATOM 373 CA GLN A2083 26.222 -9.624 -22.129 1.00 0.00 C ATOM 374 C GLN A2083 25.803 -9.133 -20.737 1.00 0.00 C ATOM 375 O GLN A2083 24.616 -9.092 -20.418 1.00 0.00 O ATOM 376 CB GLN A2083 26.920 -10.998 -22.034 1.00 0.00 C ATOM 377 CG GLN A2083 25.992 -12.135 -22.467 1.00 0.00 C ATOM 378 CD GLN A2083 25.688 -12.060 -23.963 1.00 0.00 C ATOM 379 OE1 GLN A2083 24.607 -11.685 -24.395 1.00 0.00 O ATOM 380 NE2 GLN A2083 26.639 -12.391 -24.810 1.00 0.00 N ATOM 0 H GLN A2083 28.041 -9.019 -22.974 1.00 0.00 H new ATOM 0 HA GLN A2083 25.322 -9.731 -22.735 1.00 0.00 H new ATOM 0 HB2 GLN A2083 27.812 -10.997 -22.661 1.00 0.00 H new ATOM 0 HB3 GLN A2083 27.251 -11.168 -21.009 1.00 0.00 H new ATOM 0 HG2 GLN A2083 26.455 -13.094 -22.235 1.00 0.00 H new ATOM 0 HG3 GLN A2083 25.062 -12.084 -21.901 1.00 0.00 H new ATOM 0 HE21 GLN A2083 27.545 -12.705 -24.462 1.00 0.00 H new ATOM 0 HE22 GLN A2083 26.470 -12.333 -25.814 1.00 0.00 H new ATOM 389 N GLN A2084 26.777 -8.704 -19.930 1.00 0.00 N ATOM 390 CA GLN A2084 26.546 -8.143 -18.594 1.00 0.00 C ATOM 391 C GLN A2084 25.625 -6.911 -18.659 1.00 0.00 C ATOM 392 O GLN A2084 24.669 -6.815 -17.889 1.00 0.00 O ATOM 393 CB GLN A2084 27.895 -7.799 -17.940 1.00 0.00 C ATOM 394 CG GLN A2084 28.699 -9.057 -17.575 1.00 0.00 C ATOM 395 CD GLN A2084 30.092 -8.705 -17.058 1.00 0.00 C ATOM 396 OE1 GLN A2084 31.070 -8.658 -17.794 1.00 0.00 O ATOM 397 NE2 GLN A2084 30.243 -8.431 -15.778 1.00 0.00 N ATOM 0 H GLN A2084 27.763 -8.737 -20.189 1.00 0.00 H new ATOM 0 HA GLN A2084 26.039 -8.888 -17.981 1.00 0.00 H new ATOM 0 HB2 GLN A2084 28.480 -7.180 -18.621 1.00 0.00 H new ATOM 0 HB3 GLN A2084 27.721 -7.207 -17.041 1.00 0.00 H new ATOM 0 HG2 GLN A2084 28.162 -9.625 -16.816 1.00 0.00 H new ATOM 0 HG3 GLN A2084 28.787 -9.700 -18.451 1.00 0.00 H new ATOM 0 HE21 GLN A2084 29.439 -8.465 -15.151 1.00 0.00 H new ATOM 0 HE22 GLN A2084 31.164 -8.185 -15.414 1.00 0.00 H new ATOM 406 N GLN A2085 25.862 -5.991 -19.601 1.00 0.00 N ATOM 407 CA GLN A2085 25.012 -4.814 -19.797 1.00 0.00 C ATOM 408 C GLN A2085 23.578 -5.209 -20.193 1.00 0.00 C ATOM 409 O GLN A2085 22.630 -4.624 -19.675 1.00 0.00 O ATOM 410 CB GLN A2085 25.657 -3.873 -20.829 1.00 0.00 C ATOM 411 CG GLN A2085 24.966 -2.502 -20.908 1.00 0.00 C ATOM 412 CD GLN A2085 25.043 -1.727 -19.590 1.00 0.00 C ATOM 413 OE1 GLN A2085 26.111 -1.406 -19.084 1.00 0.00 O ATOM 414 NE2 GLN A2085 23.927 -1.400 -18.975 1.00 0.00 N ATOM 0 H GLN A2085 26.649 -6.043 -20.248 1.00 0.00 H new ATOM 0 HA GLN A2085 24.931 -4.280 -18.850 1.00 0.00 H new ATOM 0 HB2 GLN A2085 26.707 -3.730 -20.575 1.00 0.00 H new ATOM 0 HB3 GLN A2085 25.628 -4.345 -21.811 1.00 0.00 H new ATOM 0 HG2 GLN A2085 25.427 -1.912 -21.700 1.00 0.00 H new ATOM 0 HG3 GLN A2085 23.920 -2.642 -21.183 1.00 0.00 H new ATOM 0 HE21 GLN A2085 23.027 -1.658 -19.380 1.00 0.00 H new ATOM 0 HE22 GLN A2085 23.962 -0.888 -18.093 1.00 0.00 H new ATOM 423 N GLN A2086 23.398 -6.219 -21.054 1.00 0.00 N ATOM 424 CA GLN A2086 22.074 -6.729 -21.437 1.00 0.00 C ATOM 425 C GLN A2086 21.278 -7.216 -20.216 1.00 0.00 C ATOM 426 O GLN A2086 20.111 -6.854 -20.073 1.00 0.00 O ATOM 427 CB GLN A2086 22.207 -7.860 -22.477 1.00 0.00 C ATOM 428 CG GLN A2086 21.986 -7.387 -23.917 1.00 0.00 C ATOM 429 CD GLN A2086 20.527 -7.005 -24.172 1.00 0.00 C ATOM 430 OE1 GLN A2086 20.183 -5.840 -24.343 1.00 0.00 O ATOM 431 NE2 GLN A2086 19.617 -7.956 -24.178 1.00 0.00 N ATOM 0 H GLN A2086 24.170 -6.708 -21.507 1.00 0.00 H new ATOM 0 HA GLN A2086 21.522 -5.902 -21.885 1.00 0.00 H new ATOM 0 HB2 GLN A2086 23.199 -8.304 -22.396 1.00 0.00 H new ATOM 0 HB3 GLN A2086 21.487 -8.644 -22.245 1.00 0.00 H new ATOM 0 HG2 GLN A2086 22.627 -6.529 -24.120 1.00 0.00 H new ATOM 0 HG3 GLN A2086 22.281 -8.176 -24.608 1.00 0.00 H new ATOM 0 HE21 GLN A2086 19.894 -8.928 -24.037 1.00 0.00 H new ATOM 0 HE22 GLN A2086 18.635 -7.721 -24.324 1.00 0.00 H new ATOM 440 N VAL A2087 21.903 -7.982 -19.312 1.00 0.00 N ATOM 441 CA VAL A2087 21.261 -8.466 -18.072 1.00 0.00 C ATOM 442 C VAL A2087 20.714 -7.293 -17.256 1.00 0.00 C ATOM 443 O VAL A2087 19.536 -7.277 -16.896 1.00 0.00 O ATOM 444 CB VAL A2087 22.249 -9.280 -17.212 1.00 0.00 C ATOM 445 CG1 VAL A2087 21.647 -9.692 -15.862 1.00 0.00 C ATOM 446 CG2 VAL A2087 22.711 -10.544 -17.941 1.00 0.00 C ATOM 0 H VAL A2087 22.871 -8.287 -19.416 1.00 0.00 H new ATOM 0 HA VAL A2087 20.436 -9.117 -18.362 1.00 0.00 H new ATOM 0 HB VAL A2087 23.099 -8.621 -17.033 1.00 0.00 H new ATOM 0 HG11 VAL A2087 22.382 -10.263 -15.295 1.00 0.00 H new ATOM 0 HG12 VAL A2087 21.368 -8.800 -15.301 1.00 0.00 H new ATOM 0 HG13 VAL A2087 20.762 -10.306 -16.030 1.00 0.00 H new ATOM 0 HG21 VAL A2087 23.406 -11.095 -17.308 1.00 0.00 H new ATOM 0 HG22 VAL A2087 21.848 -11.171 -18.164 1.00 0.00 H new ATOM 0 HG23 VAL A2087 23.208 -10.267 -18.871 1.00 0.00 H new ATOM 456 N LEU A2088 21.560 -6.292 -16.994 1.00 0.00 N ATOM 457 CA LEU A2088 21.183 -5.093 -16.244 1.00 0.00 C ATOM 458 C LEU A2088 20.087 -4.301 -16.970 1.00 0.00 C ATOM 459 O LEU A2088 19.131 -3.887 -16.324 1.00 0.00 O ATOM 460 CB LEU A2088 22.436 -4.242 -15.963 1.00 0.00 C ATOM 461 CG LEU A2088 23.522 -4.967 -15.141 1.00 0.00 C ATOM 462 CD1 LEU A2088 24.725 -4.049 -14.937 1.00 0.00 C ATOM 463 CD2 LEU A2088 23.029 -5.433 -13.768 1.00 0.00 C ATOM 0 H LEU A2088 22.533 -6.292 -17.300 1.00 0.00 H new ATOM 0 HA LEU A2088 20.757 -5.390 -15.286 1.00 0.00 H new ATOM 0 HB2 LEU A2088 22.866 -3.925 -16.913 1.00 0.00 H new ATOM 0 HB3 LEU A2088 22.136 -3.339 -15.431 1.00 0.00 H new ATOM 0 HG LEU A2088 23.797 -5.852 -15.715 1.00 0.00 H new ATOM 0 HD11 LEU A2088 25.486 -4.570 -14.356 1.00 0.00 H new ATOM 0 HD12 LEU A2088 25.137 -3.769 -15.906 1.00 0.00 H new ATOM 0 HD13 LEU A2088 24.412 -3.152 -14.403 1.00 0.00 H new ATOM 0 HD21 LEU A2088 23.841 -5.935 -13.241 1.00 0.00 H new ATOM 0 HD22 LEU A2088 22.698 -4.571 -13.188 1.00 0.00 H new ATOM 0 HD23 LEU A2088 22.197 -6.125 -13.896 1.00 0.00 H new ATOM 475 N ASN A2089 20.168 -4.130 -18.295 1.00 0.00 N ATOM 476 CA ASN A2089 19.143 -3.436 -19.083 1.00 0.00 C ATOM 477 C ASN A2089 17.763 -4.105 -18.935 1.00 0.00 C ATOM 478 O ASN A2089 16.771 -3.422 -18.676 1.00 0.00 O ATOM 479 CB ASN A2089 19.556 -3.380 -20.569 1.00 0.00 C ATOM 480 CG ASN A2089 20.729 -2.465 -20.889 1.00 0.00 C ATOM 481 OD1 ASN A2089 21.281 -1.760 -20.056 1.00 0.00 O ATOM 482 ND2 ASN A2089 21.144 -2.438 -22.136 1.00 0.00 N ATOM 0 H ASN A2089 20.951 -4.471 -18.853 1.00 0.00 H new ATOM 0 HA ASN A2089 19.061 -2.420 -18.698 1.00 0.00 H new ATOM 0 HB2 ASN A2089 19.805 -4.389 -20.897 1.00 0.00 H new ATOM 0 HB3 ASN A2089 18.696 -3.057 -21.155 1.00 0.00 H new ATOM 0 HD21 ASN A2089 21.920 -1.832 -22.402 1.00 0.00 H new ATOM 0 HD22 ASN A2089 20.690 -3.023 -22.837 1.00 0.00 H new ATOM 489 N ILE A2090 17.689 -5.435 -19.077 1.00 0.00 N ATOM 490 CA ILE A2090 16.443 -6.211 -18.956 1.00 0.00 C ATOM 491 C ILE A2090 15.860 -6.119 -17.537 1.00 0.00 C ATOM 492 O ILE A2090 14.670 -5.833 -17.369 1.00 0.00 O ATOM 493 CB ILE A2090 16.696 -7.683 -19.363 1.00 0.00 C ATOM 494 CG1 ILE A2090 17.107 -7.794 -20.850 1.00 0.00 C ATOM 495 CG2 ILE A2090 15.435 -8.535 -19.131 1.00 0.00 C ATOM 496 CD1 ILE A2090 17.830 -9.109 -21.161 1.00 0.00 C ATOM 0 H ILE A2090 18.504 -6.013 -19.282 1.00 0.00 H new ATOM 0 HA ILE A2090 15.704 -5.784 -19.634 1.00 0.00 H new ATOM 0 HB ILE A2090 17.511 -8.053 -18.741 1.00 0.00 H new ATOM 0 HG12 ILE A2090 16.219 -7.714 -21.476 1.00 0.00 H new ATOM 0 HG13 ILE A2090 17.755 -6.957 -21.108 1.00 0.00 H new ATOM 0 HG21 ILE A2090 15.634 -9.566 -19.423 1.00 0.00 H new ATOM 0 HG22 ILE A2090 15.163 -8.503 -18.076 1.00 0.00 H new ATOM 0 HG23 ILE A2090 14.614 -8.140 -19.729 1.00 0.00 H new ATOM 0 HD11 ILE A2090 18.097 -9.137 -22.218 1.00 0.00 H new ATOM 0 HD12 ILE A2090 18.734 -9.179 -20.557 1.00 0.00 H new ATOM 0 HD13 ILE A2090 17.174 -9.948 -20.930 1.00 0.00 H new ATOM 508 N LEU A2091 16.688 -6.337 -16.508 1.00 0.00 N ATOM 509 CA LEU A2091 16.262 -6.274 -15.104 1.00 0.00 C ATOM 510 C LEU A2091 15.825 -4.852 -14.699 1.00 0.00 C ATOM 511 O LEU A2091 14.776 -4.690 -14.075 1.00 0.00 O ATOM 512 CB LEU A2091 17.392 -6.824 -14.210 1.00 0.00 C ATOM 513 CG LEU A2091 17.655 -8.345 -14.336 1.00 0.00 C ATOM 514 CD1 LEU A2091 18.870 -8.702 -13.478 1.00 0.00 C ATOM 515 CD2 LEU A2091 16.482 -9.200 -13.851 1.00 0.00 C ATOM 0 H LEU A2091 17.676 -6.563 -16.626 1.00 0.00 H new ATOM 0 HA LEU A2091 15.379 -6.898 -14.968 1.00 0.00 H new ATOM 0 HB2 LEU A2091 18.313 -6.292 -14.448 1.00 0.00 H new ATOM 0 HB3 LEU A2091 17.153 -6.598 -13.171 1.00 0.00 H new ATOM 0 HG LEU A2091 17.812 -8.555 -15.394 1.00 0.00 H new ATOM 0 HD11 LEU A2091 19.069 -9.771 -13.556 1.00 0.00 H new ATOM 0 HD12 LEU A2091 19.739 -8.145 -13.828 1.00 0.00 H new ATOM 0 HD13 LEU A2091 18.669 -8.445 -12.438 1.00 0.00 H new ATOM 0 HD21 LEU A2091 16.729 -10.255 -13.966 1.00 0.00 H new ATOM 0 HD22 LEU A2091 16.285 -8.985 -12.801 1.00 0.00 H new ATOM 0 HD23 LEU A2091 15.595 -8.969 -14.441 1.00 0.00 H new ATOM 527 N LYS A2092 16.566 -3.806 -15.097 1.00 0.00 N ATOM 528 CA LYS A2092 16.215 -2.390 -14.843 1.00 0.00 C ATOM 529 C LYS A2092 14.967 -1.936 -15.616 1.00 0.00 C ATOM 530 O LYS A2092 14.334 -0.959 -15.220 1.00 0.00 O ATOM 531 CB LYS A2092 17.417 -1.468 -15.135 1.00 0.00 C ATOM 532 CG LYS A2092 18.592 -1.662 -14.153 1.00 0.00 C ATOM 533 CD LYS A2092 18.380 -1.018 -12.770 1.00 0.00 C ATOM 534 CE LYS A2092 18.529 0.513 -12.768 1.00 0.00 C ATOM 535 NZ LYS A2092 19.951 0.943 -12.883 1.00 0.00 N ATOM 0 H LYS A2092 17.439 -3.916 -15.612 1.00 0.00 H new ATOM 0 HA LYS A2092 15.965 -2.313 -13.785 1.00 0.00 H new ATOM 0 HB2 LYS A2092 17.768 -1.652 -16.150 1.00 0.00 H new ATOM 0 HB3 LYS A2092 17.087 -0.430 -15.095 1.00 0.00 H new ATOM 0 HG2 LYS A2092 18.766 -2.730 -14.020 1.00 0.00 H new ATOM 0 HG3 LYS A2092 19.495 -1.245 -14.599 1.00 0.00 H new ATOM 0 HD2 LYS A2092 17.385 -1.277 -12.408 1.00 0.00 H new ATOM 0 HD3 LYS A2092 19.096 -1.444 -12.068 1.00 0.00 H new ATOM 0 HE2 LYS A2092 17.957 0.933 -13.595 1.00 0.00 H new ATOM 0 HE3 LYS A2092 18.103 0.916 -11.849 1.00 0.00 H new ATOM 0 HZ1 LYS A2092 20.001 1.982 -12.877 1.00 0.00 H new ATOM 0 HZ2 LYS A2092 20.494 0.566 -12.080 1.00 0.00 H new ATOM 0 HZ3 LYS A2092 20.352 0.582 -13.772 1.00 0.00 H new ATOM 549 N SER A2093 14.571 -2.663 -16.666 1.00 0.00 N ATOM 550 CA SER A2093 13.320 -2.432 -17.414 1.00 0.00 C ATOM 551 C SER A2093 12.108 -3.091 -16.729 1.00 0.00 C ATOM 552 O SER A2093 10.975 -2.903 -17.173 1.00 0.00 O ATOM 553 CB SER A2093 13.433 -2.939 -18.859 1.00 0.00 C ATOM 554 OG SER A2093 14.444 -2.237 -19.559 1.00 0.00 O ATOM 0 H SER A2093 15.117 -3.444 -17.030 1.00 0.00 H new ATOM 0 HA SER A2093 13.162 -1.354 -17.426 1.00 0.00 H new ATOM 0 HB2 SER A2093 13.658 -4.006 -18.859 1.00 0.00 H new ATOM 0 HB3 SER A2093 12.478 -2.815 -19.369 1.00 0.00 H new ATOM 0 HG SER A2093 15.322 -2.591 -19.307 1.00 0.00 H new ATOM 560 N ASN A2094 12.322 -3.843 -15.639 1.00 0.00 N ATOM 561 CA ASN A2094 11.301 -4.519 -14.828 1.00 0.00 C ATOM 562 C ASN A2094 11.626 -4.397 -13.309 1.00 0.00 C ATOM 563 O ASN A2094 11.751 -5.422 -12.630 1.00 0.00 O ATOM 564 CB ASN A2094 11.210 -5.990 -15.295 1.00 0.00 C ATOM 565 CG ASN A2094 10.801 -6.155 -16.747 1.00 0.00 C ATOM 566 OD1 ASN A2094 9.631 -6.304 -17.072 1.00 0.00 O ATOM 567 ND2 ASN A2094 11.744 -6.158 -17.663 1.00 0.00 N ATOM 0 H ASN A2094 13.264 -4.004 -15.281 1.00 0.00 H new ATOM 0 HA ASN A2094 10.330 -4.044 -14.967 1.00 0.00 H new ATOM 0 HB2 ASN A2094 12.178 -6.468 -15.145 1.00 0.00 H new ATOM 0 HB3 ASN A2094 10.493 -6.516 -14.665 1.00 0.00 H new ATOM 0 HD21 ASN A2094 11.500 -6.285 -18.645 1.00 0.00 H new ATOM 0 HD22 ASN A2094 12.719 -6.034 -17.391 1.00 0.00 H new ATOM 574 N PRO A2095 11.793 -3.175 -12.744 1.00 0.00 N ATOM 575 CA PRO A2095 12.179 -2.965 -11.339 1.00 0.00 C ATOM 576 C PRO A2095 11.373 -3.750 -10.299 1.00 0.00 C ATOM 577 O PRO A2095 11.936 -4.206 -9.313 1.00 0.00 O ATOM 578 CB PRO A2095 12.030 -1.461 -11.080 1.00 0.00 C ATOM 579 CG PRO A2095 12.232 -0.839 -12.453 1.00 0.00 C ATOM 580 CD PRO A2095 11.628 -1.876 -13.394 1.00 0.00 C ATOM 0 HA PRO A2095 13.195 -3.339 -11.216 1.00 0.00 H new ATOM 0 HB2 PRO A2095 11.049 -1.220 -10.671 1.00 0.00 H new ATOM 0 HB3 PRO A2095 12.770 -1.102 -10.365 1.00 0.00 H new ATOM 0 HG2 PRO A2095 11.728 0.124 -12.537 1.00 0.00 H new ATOM 0 HG3 PRO A2095 13.287 -0.667 -12.666 1.00 0.00 H new ATOM 0 HD2 PRO A2095 10.574 -1.666 -13.578 1.00 0.00 H new ATOM 0 HD3 PRO A2095 12.130 -1.860 -14.362 1.00 0.00 H new ATOM 588 N GLN A2096 10.065 -3.916 -10.506 1.00 0.00 N ATOM 589 CA GLN A2096 9.135 -4.600 -9.593 1.00 0.00 C ATOM 590 C GLN A2096 9.619 -5.999 -9.168 1.00 0.00 C ATOM 591 O GLN A2096 9.658 -6.307 -7.975 1.00 0.00 O ATOM 592 CB GLN A2096 7.762 -4.708 -10.280 1.00 0.00 C ATOM 593 CG GLN A2096 6.934 -3.414 -10.348 1.00 0.00 C ATOM 594 CD GLN A2096 7.687 -2.216 -10.923 1.00 0.00 C ATOM 595 OE1 GLN A2096 7.935 -1.227 -10.250 1.00 0.00 O ATOM 596 NE2 GLN A2096 8.108 -2.258 -12.170 1.00 0.00 N ATOM 0 H GLN A2096 9.603 -3.566 -11.345 1.00 0.00 H new ATOM 0 HA GLN A2096 9.073 -4.007 -8.680 1.00 0.00 H new ATOM 0 HB2 GLN A2096 7.915 -5.071 -11.296 1.00 0.00 H new ATOM 0 HB3 GLN A2096 7.175 -5.463 -9.757 1.00 0.00 H new ATOM 0 HG2 GLN A2096 6.047 -3.596 -10.954 1.00 0.00 H new ATOM 0 HG3 GLN A2096 6.589 -3.164 -9.345 1.00 0.00 H new ATOM 0 HE21 GLN A2096 7.911 -3.075 -12.748 1.00 0.00 H new ATOM 0 HE22 GLN A2096 8.631 -1.473 -12.558 1.00 0.00 H new ATOM 605 N LEU A2097 10.002 -6.840 -10.135 1.00 0.00 N ATOM 606 CA LEU A2097 10.488 -8.207 -9.896 1.00 0.00 C ATOM 607 C LEU A2097 11.987 -8.288 -9.544 1.00 0.00 C ATOM 608 O LEU A2097 12.409 -9.201 -8.835 1.00 0.00 O ATOM 609 CB LEU A2097 10.039 -9.134 -11.046 1.00 0.00 C ATOM 610 CG LEU A2097 10.350 -8.731 -12.507 1.00 0.00 C ATOM 611 CD1 LEU A2097 11.828 -8.846 -12.889 1.00 0.00 C ATOM 612 CD2 LEU A2097 9.582 -9.658 -13.452 1.00 0.00 C ATOM 0 H LEU A2097 9.983 -6.587 -11.123 1.00 0.00 H new ATOM 0 HA LEU A2097 10.018 -8.578 -8.985 1.00 0.00 H new ATOM 0 HB2 LEU A2097 10.488 -10.112 -10.873 1.00 0.00 H new ATOM 0 HB3 LEU A2097 8.959 -9.260 -10.963 1.00 0.00 H new ATOM 0 HG LEU A2097 10.058 -7.684 -12.593 1.00 0.00 H new ATOM 0 HD11 LEU A2097 11.960 -8.545 -13.928 1.00 0.00 H new ATOM 0 HD12 LEU A2097 12.422 -8.197 -12.245 1.00 0.00 H new ATOM 0 HD13 LEU A2097 12.156 -9.878 -12.766 1.00 0.00 H new ATOM 0 HD21 LEU A2097 9.795 -9.382 -14.485 1.00 0.00 H new ATOM 0 HD22 LEU A2097 9.891 -10.689 -13.281 1.00 0.00 H new ATOM 0 HD23 LEU A2097 8.512 -9.564 -13.264 1.00 0.00 H new ATOM 624 N MET A2098 12.788 -7.324 -10.008 1.00 0.00 N ATOM 625 CA MET A2098 14.239 -7.250 -9.779 1.00 0.00 C ATOM 626 C MET A2098 14.573 -6.703 -8.376 1.00 0.00 C ATOM 627 O MET A2098 15.361 -7.304 -7.641 1.00 0.00 O ATOM 628 CB MET A2098 14.856 -6.476 -10.968 1.00 0.00 C ATOM 629 CG MET A2098 15.852 -5.362 -10.651 1.00 0.00 C ATOM 630 SD MET A2098 17.394 -5.890 -9.867 1.00 0.00 S ATOM 631 CE MET A2098 17.897 -4.255 -9.295 1.00 0.00 C ATOM 0 H MET A2098 12.437 -6.549 -10.571 1.00 0.00 H new ATOM 0 HA MET A2098 14.696 -8.240 -9.761 1.00 0.00 H new ATOM 0 HB2 MET A2098 15.355 -7.198 -11.615 1.00 0.00 H new ATOM 0 HB3 MET A2098 14.040 -6.042 -11.545 1.00 0.00 H new ATOM 0 HG2 MET A2098 16.096 -4.843 -11.578 1.00 0.00 H new ATOM 0 HG3 MET A2098 15.364 -4.638 -9.999 1.00 0.00 H new ATOM 0 HE1 MET A2098 18.848 -4.331 -8.768 1.00 0.00 H new ATOM 0 HE2 MET A2098 18.008 -3.589 -10.150 1.00 0.00 H new ATOM 0 HE3 MET A2098 17.139 -3.856 -8.621 1.00 0.00 H new ATOM 641 N ALA A2099 13.936 -5.603 -7.960 1.00 0.00 N ATOM 642 CA ALA A2099 14.127 -4.992 -6.644 1.00 0.00 C ATOM 643 C ALA A2099 13.685 -5.919 -5.496 1.00 0.00 C ATOM 644 O ALA A2099 14.302 -5.924 -4.426 1.00 0.00 O ATOM 645 CB ALA A2099 13.402 -3.645 -6.606 1.00 0.00 C ATOM 0 H ALA A2099 13.261 -5.105 -8.541 1.00 0.00 H new ATOM 0 HA ALA A2099 15.193 -4.826 -6.490 1.00 0.00 H new ATOM 0 HB1 ALA A2099 13.541 -3.185 -5.628 1.00 0.00 H new ATOM 0 HB2 ALA A2099 13.810 -2.990 -7.376 1.00 0.00 H new ATOM 0 HB3 ALA A2099 12.338 -3.799 -6.787 1.00 0.00 H new ATOM 651 N ALA A2100 12.652 -6.742 -5.721 1.00 0.00 N ATOM 652 CA ALA A2100 12.182 -7.722 -4.741 1.00 0.00 C ATOM 653 C ALA A2100 13.258 -8.780 -4.422 1.00 0.00 C ATOM 654 O ALA A2100 13.382 -9.203 -3.274 1.00 0.00 O ATOM 655 CB ALA A2100 10.894 -8.367 -5.269 1.00 0.00 C ATOM 0 H ALA A2100 12.120 -6.744 -6.591 1.00 0.00 H new ATOM 0 HA ALA A2100 11.973 -7.213 -3.800 1.00 0.00 H new ATOM 0 HB1 ALA A2100 10.532 -9.100 -4.548 1.00 0.00 H new ATOM 0 HB2 ALA A2100 10.136 -7.598 -5.416 1.00 0.00 H new ATOM 0 HB3 ALA A2100 11.098 -8.862 -6.219 1.00 0.00 H new ATOM 661 N PHE A2101 14.052 -9.194 -5.419 1.00 0.00 N ATOM 662 CA PHE A2101 15.149 -10.153 -5.252 1.00 0.00 C ATOM 663 C PHE A2101 16.403 -9.538 -4.603 1.00 0.00 C ATOM 664 O PHE A2101 16.911 -10.068 -3.610 1.00 0.00 O ATOM 665 CB PHE A2101 15.500 -10.741 -6.628 1.00 0.00 C ATOM 666 CG PHE A2101 16.737 -11.618 -6.622 1.00 0.00 C ATOM 667 CD1 PHE A2101 16.694 -12.901 -6.041 1.00 0.00 C ATOM 668 CD2 PHE A2101 17.938 -11.137 -7.175 1.00 0.00 C ATOM 669 CE1 PHE A2101 17.846 -13.707 -6.029 1.00 0.00 C ATOM 670 CE2 PHE A2101 19.089 -11.945 -7.163 1.00 0.00 C ATOM 671 CZ PHE A2101 19.039 -13.230 -6.599 1.00 0.00 C ATOM 0 H PHE A2101 13.947 -8.866 -6.379 1.00 0.00 H new ATOM 0 HA PHE A2101 14.807 -10.931 -4.570 1.00 0.00 H new ATOM 0 HB2 PHE A2101 14.654 -11.325 -6.990 1.00 0.00 H new ATOM 0 HB3 PHE A2101 15.649 -9.924 -7.334 1.00 0.00 H new ATOM 0 HD1 PHE A2101 15.776 -13.265 -5.605 1.00 0.00 H new ATOM 0 HD2 PHE A2101 17.976 -10.148 -7.608 1.00 0.00 H new ATOM 0 HE1 PHE A2101 17.814 -14.690 -5.583 1.00 0.00 H new ATOM 0 HE2 PHE A2101 20.011 -11.577 -7.588 1.00 0.00 H new ATOM 0 HZ PHE A2101 19.920 -13.854 -6.603 1.00 0.00 H new ATOM 681 N ILE A2102 16.918 -8.427 -5.151 1.00 0.00 N ATOM 682 CA ILE A2102 18.164 -7.792 -4.675 1.00 0.00 C ATOM 683 C ILE A2102 18.109 -7.433 -3.185 1.00 0.00 C ATOM 684 O ILE A2102 19.057 -7.711 -2.449 1.00 0.00 O ATOM 685 CB ILE A2102 18.550 -6.600 -5.583 1.00 0.00 C ATOM 686 CG1 ILE A2102 20.051 -6.235 -5.562 1.00 0.00 C ATOM 687 CG2 ILE A2102 17.691 -5.351 -5.337 1.00 0.00 C ATOM 688 CD1 ILE A2102 20.675 -5.829 -4.217 1.00 0.00 C ATOM 0 H ILE A2102 16.485 -7.941 -5.936 1.00 0.00 H new ATOM 0 HA ILE A2102 18.967 -8.525 -4.755 1.00 0.00 H new ATOM 0 HB ILE A2102 18.335 -6.968 -6.586 1.00 0.00 H new ATOM 0 HG12 ILE A2102 20.608 -7.090 -5.944 1.00 0.00 H new ATOM 0 HG13 ILE A2102 20.205 -5.415 -6.263 1.00 0.00 H new ATOM 0 HG21 ILE A2102 18.012 -4.551 -6.005 1.00 0.00 H new ATOM 0 HG22 ILE A2102 16.644 -5.586 -5.529 1.00 0.00 H new ATOM 0 HG23 ILE A2102 17.807 -5.028 -4.302 1.00 0.00 H new ATOM 0 HD11 ILE A2102 21.732 -5.602 -4.360 1.00 0.00 H new ATOM 0 HD12 ILE A2102 20.164 -4.948 -3.830 1.00 0.00 H new ATOM 0 HD13 ILE A2102 20.573 -6.649 -3.506 1.00 0.00 H new ATOM 700 N LYS A2103 16.991 -6.878 -2.700 1.00 0.00 N ATOM 701 CA LYS A2103 16.829 -6.510 -1.284 1.00 0.00 C ATOM 702 C LYS A2103 16.927 -7.694 -0.306 1.00 0.00 C ATOM 703 O LYS A2103 17.159 -7.473 0.882 1.00 0.00 O ATOM 704 CB LYS A2103 15.531 -5.713 -1.090 1.00 0.00 C ATOM 705 CG LYS A2103 15.681 -4.275 -1.620 1.00 0.00 C ATOM 706 CD LYS A2103 14.420 -3.420 -1.412 1.00 0.00 C ATOM 707 CE LYS A2103 13.944 -3.349 0.047 1.00 0.00 C ATOM 708 NZ LYS A2103 14.921 -2.674 0.945 1.00 0.00 N ATOM 0 H LYS A2103 16.174 -6.671 -3.275 1.00 0.00 H new ATOM 0 HA LYS A2103 17.679 -5.877 -1.031 1.00 0.00 H new ATOM 0 HB2 LYS A2103 14.713 -6.212 -1.609 1.00 0.00 H new ATOM 0 HB3 LYS A2103 15.270 -5.689 -0.032 1.00 0.00 H new ATOM 0 HG2 LYS A2103 16.523 -3.796 -1.121 1.00 0.00 H new ATOM 0 HG3 LYS A2103 15.918 -4.309 -2.683 1.00 0.00 H new ATOM 0 HD2 LYS A2103 14.617 -2.409 -1.768 1.00 0.00 H new ATOM 0 HD3 LYS A2103 13.615 -3.823 -2.026 1.00 0.00 H new ATOM 0 HE2 LYS A2103 12.993 -2.817 0.088 1.00 0.00 H new ATOM 0 HE3 LYS A2103 13.760 -4.359 0.413 1.00 0.00 H new ATOM 0 HZ1 LYS A2103 14.546 -2.656 1.915 1.00 0.00 H new ATOM 0 HZ2 LYS A2103 15.822 -3.194 0.932 1.00 0.00 H new ATOM 0 HZ3 LYS A2103 15.079 -1.700 0.617 1.00 0.00 H new ATOM 722 N GLN A2104 16.835 -8.934 -0.798 1.00 0.00 N ATOM 723 CA GLN A2104 17.056 -10.148 -0.004 1.00 0.00 C ATOM 724 C GLN A2104 18.489 -10.656 -0.220 1.00 0.00 C ATOM 725 O GLN A2104 19.187 -10.964 0.746 1.00 0.00 O ATOM 726 CB GLN A2104 16.027 -11.239 -0.360 1.00 0.00 C ATOM 727 CG GLN A2104 14.565 -10.768 -0.288 1.00 0.00 C ATOM 728 CD GLN A2104 14.268 -9.917 0.942 1.00 0.00 C ATOM 729 OE1 GLN A2104 14.059 -8.714 0.861 1.00 0.00 O ATOM 730 NE2 GLN A2104 14.280 -10.494 2.124 1.00 0.00 N ATOM 0 H GLN A2104 16.602 -9.126 -1.772 1.00 0.00 H new ATOM 0 HA GLN A2104 16.923 -9.904 1.050 1.00 0.00 H new ATOM 0 HB2 GLN A2104 16.232 -11.602 -1.367 1.00 0.00 H new ATOM 0 HB3 GLN A2104 16.160 -12.083 0.316 1.00 0.00 H new ATOM 0 HG2 GLN A2104 14.330 -10.194 -1.184 1.00 0.00 H new ATOM 0 HG3 GLN A2104 13.909 -11.639 -0.286 1.00 0.00 H new ATOM 0 HE21 GLN A2104 14.453 -11.496 2.201 1.00 0.00 H new ATOM 0 HE22 GLN A2104 14.116 -9.939 2.964 1.00 0.00 H new ATOM 739 N ARG A2105 18.962 -10.692 -1.475 1.00 0.00 N ATOM 740 CA ARG A2105 20.327 -11.114 -1.840 1.00 0.00 C ATOM 741 C ARG A2105 21.416 -10.256 -1.188 1.00 0.00 C ATOM 742 O ARG A2105 22.449 -10.795 -0.801 1.00 0.00 O ATOM 743 CB ARG A2105 20.430 -11.171 -3.378 1.00 0.00 C ATOM 744 CG ARG A2105 21.748 -11.723 -3.958 1.00 0.00 C ATOM 745 CD ARG A2105 22.268 -13.036 -3.344 1.00 0.00 C ATOM 746 NE ARG A2105 21.219 -14.063 -3.186 1.00 0.00 N ATOM 747 CZ ARG A2105 20.925 -15.053 -4.006 1.00 0.00 C ATOM 748 NH1 ARG A2105 21.506 -15.247 -5.152 1.00 0.00 N ATOM 749 NH2 ARG A2105 19.997 -15.905 -3.688 1.00 0.00 N ATOM 0 H ARG A2105 18.398 -10.424 -2.281 1.00 0.00 H new ATOM 0 HA ARG A2105 20.510 -12.112 -1.441 1.00 0.00 H new ATOM 0 HB2 ARG A2105 19.609 -11.783 -3.753 1.00 0.00 H new ATOM 0 HB3 ARG A2105 20.281 -10.164 -3.768 1.00 0.00 H new ATOM 0 HG2 ARG A2105 21.613 -11.876 -5.029 1.00 0.00 H new ATOM 0 HG3 ARG A2105 22.519 -10.962 -3.840 1.00 0.00 H new ATOM 0 HD2 ARG A2105 23.064 -13.433 -3.974 1.00 0.00 H new ATOM 0 HD3 ARG A2105 22.709 -12.824 -2.370 1.00 0.00 H new ATOM 0 HE ARG A2105 20.653 -13.999 -2.340 1.00 0.00 H new ATOM 0 HH11 ARG A2105 22.239 -14.611 -5.466 1.00 0.00 H new ATOM 0 HH12 ARG A2105 21.229 -16.035 -5.738 1.00 0.00 H new ATOM 0 HH21 ARG A2105 19.496 -15.808 -2.805 1.00 0.00 H new ATOM 0 HH22 ARG A2105 19.769 -16.671 -4.322 1.00 0.00 H new ATOM 763 N THR A2106 21.190 -8.955 -0.992 1.00 0.00 N ATOM 764 CA THR A2106 22.135 -8.041 -0.313 1.00 0.00 C ATOM 765 C THR A2106 22.513 -8.499 1.110 1.00 0.00 C ATOM 766 O THR A2106 23.632 -8.260 1.562 1.00 0.00 O ATOM 767 CB THR A2106 21.602 -6.596 -0.331 1.00 0.00 C ATOM 768 OG1 THR A2106 22.616 -5.691 0.040 1.00 0.00 O ATOM 769 CG2 THR A2106 20.413 -6.357 0.598 1.00 0.00 C ATOM 0 H THR A2106 20.336 -8.492 -1.302 1.00 0.00 H new ATOM 0 HA THR A2106 23.065 -8.070 -0.881 1.00 0.00 H new ATOM 0 HB THR A2106 21.268 -6.434 -1.356 1.00 0.00 H new ATOM 0 HG1 THR A2106 22.262 -4.777 0.022 1.00 0.00 H new ATOM 0 HG21 THR A2106 20.099 -5.316 0.526 1.00 0.00 H new ATOM 0 HG22 THR A2106 19.587 -7.006 0.307 1.00 0.00 H new ATOM 0 HG23 THR A2106 20.704 -6.578 1.625 1.00 0.00 H new ATOM 777 N ALA A2107 21.627 -9.231 1.806 1.00 0.00 N ATOM 778 CA ALA A2107 21.892 -9.794 3.138 1.00 0.00 C ATOM 779 C ALA A2107 22.946 -10.929 3.134 1.00 0.00 C ATOM 780 O ALA A2107 23.495 -11.272 4.186 1.00 0.00 O ATOM 781 CB ALA A2107 20.565 -10.305 3.720 1.00 0.00 C ATOM 0 H ALA A2107 20.695 -9.450 1.454 1.00 0.00 H new ATOM 0 HA ALA A2107 22.315 -9.000 3.754 1.00 0.00 H new ATOM 0 HB1 ALA A2107 20.740 -10.727 4.709 1.00 0.00 H new ATOM 0 HB2 ALA A2107 19.859 -9.478 3.798 1.00 0.00 H new ATOM 0 HB3 ALA A2107 20.153 -11.073 3.066 1.00 0.00 H new ATOM 787 N LYS A2108 23.226 -11.509 1.958 1.00 0.00 N ATOM 788 CA LYS A2108 24.174 -12.614 1.716 1.00 0.00 C ATOM 789 C LYS A2108 25.383 -12.162 0.883 1.00 0.00 C ATOM 790 O LYS A2108 26.503 -12.618 1.110 1.00 0.00 O ATOM 791 CB LYS A2108 23.373 -13.736 1.024 1.00 0.00 C ATOM 792 CG LYS A2108 24.130 -15.044 0.741 1.00 0.00 C ATOM 793 CD LYS A2108 24.617 -15.747 2.018 1.00 0.00 C ATOM 794 CE LYS A2108 25.150 -17.160 1.732 1.00 0.00 C ATOM 795 NZ LYS A2108 24.060 -18.126 1.425 1.00 0.00 N ATOM 0 H LYS A2108 22.772 -11.204 1.097 1.00 0.00 H new ATOM 0 HA LYS A2108 24.599 -12.972 2.654 1.00 0.00 H new ATOM 0 HB2 LYS A2108 22.508 -13.970 1.644 1.00 0.00 H new ATOM 0 HB3 LYS A2108 22.993 -13.350 0.078 1.00 0.00 H new ATOM 0 HG2 LYS A2108 23.480 -15.721 0.186 1.00 0.00 H new ATOM 0 HG3 LYS A2108 24.987 -14.830 0.102 1.00 0.00 H new ATOM 0 HD2 LYS A2108 25.402 -15.151 2.483 1.00 0.00 H new ATOM 0 HD3 LYS A2108 23.797 -15.807 2.734 1.00 0.00 H new ATOM 0 HE2 LYS A2108 25.844 -17.121 0.892 1.00 0.00 H new ATOM 0 HE3 LYS A2108 25.714 -17.514 2.595 1.00 0.00 H new ATOM 0 HZ1 LYS A2108 24.458 -19.083 1.340 1.00 0.00 H new ATOM 0 HZ2 LYS A2108 23.357 -18.111 2.191 1.00 0.00 H new ATOM 0 HZ3 LYS A2108 23.603 -17.860 0.530 1.00 0.00 H new ATOM 1019 N THR B 18 8.472 -23.059 -13.557 1.00 0.00 N ATOM 1020 CA THR B 18 9.842 -22.554 -13.788 1.00 0.00 C ATOM 1021 C THR B 18 10.093 -21.161 -13.187 1.00 0.00 C ATOM 1022 O THR B 18 9.279 -20.645 -12.420 1.00 0.00 O ATOM 1023 CB THR B 18 10.147 -22.546 -15.299 1.00 0.00 C ATOM 1024 OG1 THR B 18 9.329 -21.612 -15.970 1.00 0.00 O ATOM 1025 CG2 THR B 18 9.961 -23.917 -15.945 1.00 0.00 C ATOM 0 HA THR B 18 10.518 -23.235 -13.270 1.00 0.00 H new ATOM 0 HB THR B 18 11.196 -22.265 -15.394 1.00 0.00 H new ATOM 0 HG1 THR B 18 8.456 -21.564 -15.527 1.00 0.00 H new ATOM 0 HG21 THR B 18 10.189 -23.852 -17.009 1.00 0.00 H new ATOM 0 HG22 THR B 18 10.631 -24.635 -15.473 1.00 0.00 H new ATOM 0 HG23 THR B 18 8.929 -24.244 -15.815 1.00 0.00 H new ATOM 1033 N PHE B 19 11.230 -20.532 -13.529 1.00 0.00 N ATOM 1034 CA PHE B 19 11.656 -19.195 -13.081 1.00 0.00 C ATOM 1035 C PHE B 19 10.584 -18.093 -13.159 1.00 0.00 C ATOM 1036 O PHE B 19 10.606 -17.169 -12.347 1.00 0.00 O ATOM 1037 CB PHE B 19 12.944 -18.778 -13.809 1.00 0.00 C ATOM 1038 CG PHE B 19 12.815 -18.268 -15.236 1.00 0.00 C ATOM 1039 CD1 PHE B 19 12.228 -19.058 -16.246 1.00 0.00 C ATOM 1040 CD2 PHE B 19 13.367 -17.015 -15.567 1.00 0.00 C ATOM 1041 CE1 PHE B 19 12.196 -18.599 -17.572 1.00 0.00 C ATOM 1042 CE2 PHE B 19 13.353 -16.565 -16.899 1.00 0.00 C ATOM 1043 CZ PHE B 19 12.775 -17.363 -17.901 1.00 0.00 C ATOM 0 H PHE B 19 11.910 -20.963 -14.156 1.00 0.00 H new ATOM 0 HA PHE B 19 11.846 -19.298 -12.013 1.00 0.00 H new ATOM 0 HB2 PHE B 19 13.427 -18.001 -13.217 1.00 0.00 H new ATOM 0 HB3 PHE B 19 13.617 -19.636 -13.819 1.00 0.00 H new ATOM 0 HD1 PHE B 19 11.802 -20.019 -15.998 1.00 0.00 H new ATOM 0 HD2 PHE B 19 13.802 -16.398 -14.795 1.00 0.00 H new ATOM 0 HE1 PHE B 19 11.726 -19.197 -18.339 1.00 0.00 H new ATOM 0 HE2 PHE B 19 13.786 -15.608 -17.152 1.00 0.00 H new ATOM 0 HZ PHE B 19 12.776 -17.025 -18.927 1.00 0.00 H new ATOM 1053 N SER B 20 9.613 -18.210 -14.072 1.00 0.00 N ATOM 1054 CA SER B 20 8.481 -17.277 -14.179 1.00 0.00 C ATOM 1055 C SER B 20 7.667 -17.184 -12.879 1.00 0.00 C ATOM 1056 O SER B 20 7.144 -16.122 -12.538 1.00 0.00 O ATOM 1057 CB SER B 20 7.580 -17.707 -15.343 1.00 0.00 C ATOM 1058 OG SER B 20 6.507 -16.797 -15.522 1.00 0.00 O ATOM 0 H SER B 20 9.589 -18.960 -14.763 1.00 0.00 H new ATOM 0 HA SER B 20 8.886 -16.282 -14.365 1.00 0.00 H new ATOM 0 HB2 SER B 20 8.168 -17.766 -16.259 1.00 0.00 H new ATOM 0 HB3 SER B 20 7.186 -18.705 -15.152 1.00 0.00 H new ATOM 0 HG SER B 20 5.949 -17.093 -16.271 1.00 0.00 H new ATOM 1064 N ASP B 21 7.575 -18.281 -12.122 1.00 0.00 N ATOM 1065 CA ASP B 21 6.864 -18.345 -10.843 1.00 0.00 C ATOM 1066 C ASP B 21 7.698 -17.834 -9.660 1.00 0.00 C ATOM 1067 O ASP B 21 7.144 -17.344 -8.677 1.00 0.00 O ATOM 1068 CB ASP B 21 6.425 -19.795 -10.614 1.00 0.00 C ATOM 1069 CG ASP B 21 5.479 -19.948 -9.410 1.00 0.00 C ATOM 1070 OD1 ASP B 21 4.378 -19.347 -9.427 1.00 0.00 O ATOM 1071 OD2 ASP B 21 5.817 -20.705 -8.470 1.00 0.00 O ATOM 0 H ASP B 21 8.002 -19.168 -12.388 1.00 0.00 H new ATOM 0 HA ASP B 21 6.000 -17.682 -10.898 1.00 0.00 H new ATOM 0 HB2 ASP B 21 5.928 -20.165 -11.510 1.00 0.00 H new ATOM 0 HB3 ASP B 21 7.307 -20.417 -10.459 1.00 0.00 H new ATOM 1076 N LEU B 22 9.031 -17.870 -9.761 1.00 0.00 N ATOM 1077 CA LEU B 22 9.919 -17.325 -8.727 1.00 0.00 C ATOM 1078 C LEU B 22 9.711 -15.807 -8.589 1.00 0.00 C ATOM 1079 O LEU B 22 9.698 -15.291 -7.469 1.00 0.00 O ATOM 1080 CB LEU B 22 11.388 -17.695 -9.012 1.00 0.00 C ATOM 1081 CG LEU B 22 11.685 -19.209 -8.957 1.00 0.00 C ATOM 1082 CD1 LEU B 22 13.141 -19.473 -9.339 1.00 0.00 C ATOM 1083 CD2 LEU B 22 11.461 -19.803 -7.563 1.00 0.00 C ATOM 0 H LEU B 22 9.523 -18.275 -10.557 1.00 0.00 H new ATOM 0 HA LEU B 22 9.664 -17.775 -7.768 1.00 0.00 H new ATOM 0 HB2 LEU B 22 11.660 -17.319 -9.998 1.00 0.00 H new ATOM 0 HB3 LEU B 22 12.025 -17.185 -8.289 1.00 0.00 H new ATOM 0 HG LEU B 22 10.996 -19.680 -9.658 1.00 0.00 H new ATOM 0 HD11 LEU B 22 13.340 -20.544 -9.297 1.00 0.00 H new ATOM 0 HD12 LEU B 22 13.323 -19.110 -10.350 1.00 0.00 H new ATOM 0 HD13 LEU B 22 13.800 -18.954 -8.643 1.00 0.00 H new ATOM 0 HD21 LEU B 22 11.685 -20.870 -7.582 1.00 0.00 H new ATOM 0 HD22 LEU B 22 12.116 -19.307 -6.847 1.00 0.00 H new ATOM 0 HD23 LEU B 22 10.422 -19.655 -7.267 1.00 0.00 H new ATOM 1095 N TRP B 23 9.455 -15.097 -9.698 1.00 0.00 N ATOM 1096 CA TRP B 23 9.129 -13.662 -9.661 1.00 0.00 C ATOM 1097 C TRP B 23 7.812 -13.383 -8.913 1.00 0.00 C ATOM 1098 O TRP B 23 7.669 -12.338 -8.278 1.00 0.00 O ATOM 1099 CB TRP B 23 9.011 -13.105 -11.084 1.00 0.00 C ATOM 1100 CG TRP B 23 10.180 -13.321 -11.993 1.00 0.00 C ATOM 1101 CD1 TRP B 23 10.106 -13.942 -13.189 1.00 0.00 C ATOM 1102 CD2 TRP B 23 11.577 -12.912 -11.840 1.00 0.00 C ATOM 1103 NE1 TRP B 23 11.349 -13.950 -13.791 1.00 0.00 N ATOM 1104 CE2 TRP B 23 12.292 -13.315 -13.011 1.00 0.00 C ATOM 1105 CE3 TRP B 23 12.317 -12.234 -10.842 1.00 0.00 C ATOM 1106 CZ2 TRP B 23 13.658 -13.049 -13.190 1.00 0.00 C ATOM 1107 CZ3 TRP B 23 13.688 -11.961 -11.012 1.00 0.00 C ATOM 1108 CH2 TRP B 23 14.357 -12.362 -12.183 1.00 0.00 C ATOM 0 H TRP B 23 9.468 -15.495 -10.637 1.00 0.00 H new ATOM 0 HA TRP B 23 9.941 -13.170 -9.126 1.00 0.00 H new ATOM 0 HB2 TRP B 23 8.132 -13.549 -11.551 1.00 0.00 H new ATOM 0 HB3 TRP B 23 8.828 -12.033 -11.015 1.00 0.00 H new ATOM 0 HD1 TRP B 23 9.209 -14.369 -13.612 1.00 0.00 H new ATOM 0 HE1 TRP B 23 11.545 -14.373 -14.698 1.00 0.00 H new ATOM 0 HE3 TRP B 23 11.822 -11.921 -9.935 1.00 0.00 H new ATOM 0 HZ2 TRP B 23 14.165 -13.368 -14.089 1.00 0.00 H new ATOM 0 HZ3 TRP B 23 14.230 -11.440 -10.237 1.00 0.00 H new ATOM 0 HH2 TRP B 23 15.407 -12.142 -12.308 1.00 0.00 H new ATOM 1119 N LYS B 24 6.856 -14.322 -8.982 1.00 0.00 N ATOM 1120 CA LYS B 24 5.533 -14.242 -8.335 1.00 0.00 C ATOM 1121 C LYS B 24 5.598 -14.587 -6.843 1.00 0.00 C ATOM 1122 O LYS B 24 4.887 -13.971 -6.049 1.00 0.00 O ATOM 1123 CB LYS B 24 4.531 -15.155 -9.070 1.00 0.00 C ATOM 1124 CG LYS B 24 4.393 -14.788 -10.557 1.00 0.00 C ATOM 1125 CD LYS B 24 3.394 -15.700 -11.286 1.00 0.00 C ATOM 1126 CE LYS B 24 3.295 -15.335 -12.775 1.00 0.00 C ATOM 1127 NZ LYS B 24 4.480 -15.792 -13.550 1.00 0.00 N ATOM 0 H LYS B 24 6.985 -15.187 -9.506 1.00 0.00 H new ATOM 0 HA LYS B 24 5.190 -13.210 -8.404 1.00 0.00 H new ATOM 0 HB2 LYS B 24 4.855 -16.192 -8.982 1.00 0.00 H new ATOM 0 HB3 LYS B 24 3.556 -15.084 -8.588 1.00 0.00 H new ATOM 0 HG2 LYS B 24 4.068 -13.751 -10.646 1.00 0.00 H new ATOM 0 HG3 LYS B 24 5.368 -14.859 -11.040 1.00 0.00 H new ATOM 0 HD2 LYS B 24 3.705 -16.740 -11.183 1.00 0.00 H new ATOM 0 HD3 LYS B 24 2.412 -15.613 -10.821 1.00 0.00 H new ATOM 0 HE2 LYS B 24 2.394 -15.781 -13.197 1.00 0.00 H new ATOM 0 HE3 LYS B 24 3.193 -14.254 -12.876 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 4.673 -15.118 -14.318 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 5.306 -15.846 -12.921 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 4.290 -16.732 -13.953 1.00 0.00 H new ATOM 1141 N LEU B 25 6.457 -15.535 -6.451 1.00 0.00 N ATOM 1142 CA LEU B 25 6.665 -15.923 -5.049 1.00 0.00 C ATOM 1143 C LEU B 25 7.457 -14.873 -4.253 1.00 0.00 C ATOM 1144 O LEU B 25 7.186 -14.678 -3.070 1.00 0.00 O ATOM 1145 CB LEU B 25 7.397 -17.275 -4.967 1.00 0.00 C ATOM 1146 CG LEU B 25 6.556 -18.511 -5.343 1.00 0.00 C ATOM 1147 CD1 LEU B 25 7.429 -19.760 -5.197 1.00 0.00 C ATOM 1148 CD2 LEU B 25 5.334 -18.686 -4.436 1.00 0.00 C ATOM 0 H LEU B 25 7.035 -16.062 -7.106 1.00 0.00 H new ATOM 0 HA LEU B 25 5.674 -16.003 -4.602 1.00 0.00 H new ATOM 0 HB2 LEU B 25 8.267 -17.237 -5.622 1.00 0.00 H new ATOM 0 HB3 LEU B 25 7.768 -17.406 -3.951 1.00 0.00 H new ATOM 0 HG LEU B 25 6.207 -18.370 -6.366 1.00 0.00 H new ATOM 0 HD11 LEU B 25 6.847 -20.643 -5.460 1.00 0.00 H new ATOM 0 HD12 LEU B 25 8.290 -19.682 -5.861 1.00 0.00 H new ATOM 0 HD13 LEU B 25 7.772 -19.845 -4.166 1.00 0.00 H new ATOM 0 HD21 LEU B 25 4.776 -19.571 -4.744 1.00 0.00 H new ATOM 0 HD22 LEU B 25 5.661 -18.804 -3.403 1.00 0.00 H new ATOM 0 HD23 LEU B 25 4.693 -17.808 -4.515 1.00 0.00 H new ATOM 1408 N LEU B 43 28.595 -2.518 -5.577 1.00 0.00 N ATOM 1409 CA LEU B 43 28.183 -3.897 -5.874 1.00 0.00 C ATOM 1410 C LEU B 43 26.947 -3.915 -6.785 1.00 0.00 C ATOM 1411 O LEU B 43 26.103 -3.019 -6.722 1.00 0.00 O ATOM 1412 CB LEU B 43 27.982 -4.688 -4.562 1.00 0.00 C ATOM 1413 CG LEU B 43 26.856 -4.173 -3.639 1.00 0.00 C ATOM 1414 CD1 LEU B 43 25.516 -4.876 -3.873 1.00 0.00 C ATOM 1415 CD2 LEU B 43 27.238 -4.393 -2.174 1.00 0.00 C ATOM 0 HA LEU B 43 28.976 -4.399 -6.429 1.00 0.00 H new ATOM 0 HB2 LEU B 43 27.774 -5.728 -4.814 1.00 0.00 H new ATOM 0 HB3 LEU B 43 28.919 -4.676 -4.004 1.00 0.00 H new ATOM 0 HG LEU B 43 26.739 -3.115 -3.873 1.00 0.00 H new ATOM 0 HD11 LEU B 43 24.768 -4.468 -3.193 1.00 0.00 H new ATOM 0 HD12 LEU B 43 25.196 -4.716 -4.903 1.00 0.00 H new ATOM 0 HD13 LEU B 43 25.629 -5.945 -3.690 1.00 0.00 H new ATOM 0 HD21 LEU B 43 26.438 -4.027 -1.530 1.00 0.00 H new ATOM 0 HD22 LEU B 43 27.390 -5.457 -1.994 1.00 0.00 H new ATOM 0 HD23 LEU B 43 28.158 -3.852 -1.953 1.00 0.00 H new ATOM 1427 N MET B 44 26.853 -4.935 -7.639 1.00 0.00 N ATOM 1428 CA MET B 44 25.785 -5.112 -8.632 1.00 0.00 C ATOM 1429 C MET B 44 25.514 -6.604 -8.901 1.00 0.00 C ATOM 1430 O MET B 44 26.344 -7.446 -8.551 1.00 0.00 O ATOM 1431 CB MET B 44 26.235 -4.385 -9.918 1.00 0.00 C ATOM 1432 CG MET B 44 25.155 -4.211 -10.991 1.00 0.00 C ATOM 1433 SD MET B 44 23.578 -3.488 -10.448 1.00 0.00 S ATOM 1434 CE MET B 44 24.171 -1.977 -9.634 1.00 0.00 C ATOM 0 H MET B 44 27.540 -5.688 -7.662 1.00 0.00 H new ATOM 0 HA MET B 44 24.849 -4.692 -8.264 1.00 0.00 H new ATOM 0 HB2 MET B 44 26.612 -3.400 -9.644 1.00 0.00 H new ATOM 0 HB3 MET B 44 27.069 -4.936 -10.353 1.00 0.00 H new ATOM 0 HG2 MET B 44 25.561 -3.585 -11.785 1.00 0.00 H new ATOM 0 HG3 MET B 44 24.949 -5.188 -11.429 1.00 0.00 H new ATOM 0 HE1 MET B 44 23.327 -1.316 -9.434 1.00 0.00 H new ATOM 0 HE2 MET B 44 24.659 -2.237 -8.695 1.00 0.00 H new ATOM 0 HE3 MET B 44 24.883 -1.469 -10.284 1.00 0.00 H new ATOM 1444 N LEU B 45 24.376 -6.940 -9.524 1.00 0.00 N ATOM 1445 CA LEU B 45 23.988 -8.316 -9.878 1.00 0.00 C ATOM 1446 C LEU B 45 25.109 -9.051 -10.639 1.00 0.00 C ATOM 1447 O LEU B 45 25.825 -8.454 -11.451 1.00 0.00 O ATOM 1448 CB LEU B 45 22.686 -8.296 -10.714 1.00 0.00 C ATOM 1449 CG LEU B 45 21.351 -8.183 -9.951 1.00 0.00 C ATOM 1450 CD1 LEU B 45 21.085 -9.411 -9.079 1.00 0.00 C ATOM 1451 CD2 LEU B 45 21.240 -6.932 -9.077 1.00 0.00 C ATOM 0 H LEU B 45 23.682 -6.247 -9.803 1.00 0.00 H new ATOM 0 HA LEU B 45 23.814 -8.865 -8.952 1.00 0.00 H new ATOM 0 HB2 LEU B 45 22.747 -7.460 -11.411 1.00 0.00 H new ATOM 0 HB3 LEU B 45 22.656 -9.207 -11.311 1.00 0.00 H new ATOM 0 HG LEU B 45 20.599 -8.112 -10.736 1.00 0.00 H new ATOM 0 HD11 LEU B 45 20.135 -9.289 -8.559 1.00 0.00 H new ATOM 0 HD12 LEU B 45 21.044 -10.301 -9.707 1.00 0.00 H new ATOM 0 HD13 LEU B 45 21.887 -9.519 -8.348 1.00 0.00 H new ATOM 0 HD21 LEU B 45 20.273 -6.925 -8.573 1.00 0.00 H new ATOM 0 HD22 LEU B 45 22.037 -6.936 -8.333 1.00 0.00 H new ATOM 0 HD23 LEU B 45 21.331 -6.043 -9.701 1.00 0.00 H new ATOM 1463 N SER B 46 25.249 -10.354 -10.384 1.00 0.00 N ATOM 1464 CA SER B 46 26.298 -11.216 -10.953 1.00 0.00 C ATOM 1465 C SER B 46 25.733 -12.367 -11.806 1.00 0.00 C ATOM 1466 O SER B 46 24.568 -12.738 -11.634 1.00 0.00 O ATOM 1467 CB SER B 46 27.147 -11.759 -9.791 1.00 0.00 C ATOM 1468 OG SER B 46 26.515 -12.845 -9.135 1.00 0.00 O ATOM 0 H SER B 46 24.620 -10.857 -9.758 1.00 0.00 H new ATOM 0 HA SER B 46 26.908 -10.621 -11.633 1.00 0.00 H new ATOM 0 HB2 SER B 46 28.118 -12.079 -10.170 1.00 0.00 H new ATOM 0 HB3 SER B 46 27.333 -10.960 -9.073 1.00 0.00 H new ATOM 0 HG SER B 46 25.667 -12.544 -8.746 1.00 0.00 H new ATOM 1474 N PRO B 47 26.523 -12.979 -12.717 1.00 0.00 N ATOM 1475 CA PRO B 47 26.055 -14.102 -13.535 1.00 0.00 C ATOM 1476 C PRO B 47 25.663 -15.336 -12.700 1.00 0.00 C ATOM 1477 O PRO B 47 24.809 -16.119 -13.118 1.00 0.00 O ATOM 1478 CB PRO B 47 27.177 -14.390 -14.537 1.00 0.00 C ATOM 1479 CG PRO B 47 28.429 -13.847 -13.851 1.00 0.00 C ATOM 1480 CD PRO B 47 27.906 -12.657 -13.048 1.00 0.00 C ATOM 0 HA PRO B 47 25.131 -13.844 -14.052 1.00 0.00 H new ATOM 0 HB2 PRO B 47 27.265 -15.457 -14.743 1.00 0.00 H new ATOM 0 HB3 PRO B 47 26.997 -13.895 -15.491 1.00 0.00 H new ATOM 0 HG2 PRO B 47 28.890 -14.595 -13.206 1.00 0.00 H new ATOM 0 HG3 PRO B 47 29.184 -13.542 -14.576 1.00 0.00 H new ATOM 0 HD2 PRO B 47 28.498 -12.503 -12.146 1.00 0.00 H new ATOM 0 HD3 PRO B 47 27.965 -11.737 -13.629 1.00 0.00 H new ATOM 1488 N ASP B 48 26.227 -15.480 -11.495 1.00 0.00 N ATOM 1489 CA ASP B 48 25.899 -16.551 -10.545 1.00 0.00 C ATOM 1490 C ASP B 48 24.431 -16.471 -10.070 1.00 0.00 C ATOM 1491 O ASP B 48 23.786 -17.494 -9.837 1.00 0.00 O ATOM 1492 CB ASP B 48 26.863 -16.476 -9.356 1.00 0.00 C ATOM 1493 CG ASP B 48 26.721 -17.690 -8.422 1.00 0.00 C ATOM 1494 OD1 ASP B 48 27.130 -18.808 -8.817 1.00 0.00 O ATOM 1495 OD2 ASP B 48 26.236 -17.525 -7.276 1.00 0.00 O ATOM 0 H ASP B 48 26.941 -14.841 -11.145 1.00 0.00 H new ATOM 0 HA ASP B 48 26.012 -17.511 -11.050 1.00 0.00 H new ATOM 0 HB2 ASP B 48 27.888 -16.419 -9.723 1.00 0.00 H new ATOM 0 HB3 ASP B 48 26.674 -15.562 -8.793 1.00 0.00 H new ATOM 1500 N ASP B 49 23.877 -15.256 -9.980 1.00 0.00 N ATOM 1501 CA ASP B 49 22.471 -15.008 -9.639 1.00 0.00 C ATOM 1502 C ASP B 49 21.525 -15.397 -10.798 1.00 0.00 C ATOM 1503 O ASP B 49 20.372 -15.763 -10.570 1.00 0.00 O ATOM 1504 CB ASP B 49 22.252 -13.538 -9.249 1.00 0.00 C ATOM 1505 CG ASP B 49 23.124 -13.091 -8.065 1.00 0.00 C ATOM 1506 OD1 ASP B 49 22.884 -13.572 -6.929 1.00 0.00 O ATOM 1507 OD2 ASP B 49 24.030 -12.247 -8.276 1.00 0.00 O ATOM 0 H ASP B 49 24.405 -14.399 -10.146 1.00 0.00 H new ATOM 0 HA ASP B 49 22.232 -15.638 -8.783 1.00 0.00 H new ATOM 0 HB2 ASP B 49 22.466 -12.904 -10.110 1.00 0.00 H new ATOM 0 HB3 ASP B 49 21.202 -13.388 -8.996 1.00 0.00 H new ATOM 1512 N ILE B 50 22.003 -15.325 -12.047 1.00 0.00 N ATOM 1513 CA ILE B 50 21.229 -15.667 -13.252 1.00 0.00 C ATOM 1514 C ILE B 50 21.141 -17.188 -13.446 1.00 0.00 C ATOM 1515 O ILE B 50 20.063 -17.727 -13.693 1.00 0.00 O ATOM 1516 CB ILE B 50 21.840 -15.031 -14.523 1.00 0.00 C ATOM 1517 CG1 ILE B 50 22.280 -13.564 -14.342 1.00 0.00 C ATOM 1518 CG2 ILE B 50 20.819 -15.124 -15.675 1.00 0.00 C ATOM 1519 CD1 ILE B 50 23.053 -13.048 -15.558 1.00 0.00 C ATOM 0 H ILE B 50 22.955 -15.022 -12.254 1.00 0.00 H new ATOM 0 HA ILE B 50 20.227 -15.264 -13.102 1.00 0.00 H new ATOM 0 HB ILE B 50 22.746 -15.594 -14.748 1.00 0.00 H new ATOM 0 HG12 ILE B 50 21.402 -12.939 -14.177 1.00 0.00 H new ATOM 0 HG13 ILE B 50 22.904 -13.479 -13.452 1.00 0.00 H new ATOM 0 HG21 ILE B 50 21.243 -14.677 -16.574 1.00 0.00 H new ATOM 0 HG22 ILE B 50 20.581 -16.170 -15.867 1.00 0.00 H new ATOM 0 HG23 ILE B 50 19.910 -14.590 -15.399 1.00 0.00 H new ATOM 0 HD11 ILE B 50 23.345 -12.011 -15.391 1.00 0.00 H new ATOM 0 HD12 ILE B 50 23.945 -13.656 -15.707 1.00 0.00 H new ATOM 0 HD13 ILE B 50 22.420 -13.108 -16.444 1.00 0.00 H new ATOM 1531 N GLU B 51 22.264 -17.904 -13.315 1.00 0.00 N ATOM 1532 CA GLU B 51 22.308 -19.372 -13.464 1.00 0.00 C ATOM 1533 C GLU B 51 21.581 -20.136 -12.330 1.00 0.00 C ATOM 1534 O GLU B 51 21.474 -21.362 -12.354 1.00 0.00 O ATOM 1535 CB GLU B 51 23.756 -19.855 -13.653 1.00 0.00 C ATOM 1536 CG GLU B 51 24.626 -19.755 -12.397 1.00 0.00 C ATOM 1537 CD GLU B 51 26.042 -20.301 -12.667 1.00 0.00 C ATOM 1538 OE1 GLU B 51 26.925 -19.530 -13.115 1.00 0.00 O ATOM 1539 OE2 GLU B 51 26.282 -21.513 -12.440 1.00 0.00 O ATOM 0 H GLU B 51 23.170 -17.487 -13.103 1.00 0.00 H new ATOM 0 HA GLU B 51 21.746 -19.610 -14.367 1.00 0.00 H new ATOM 0 HB2 GLU B 51 23.739 -20.893 -13.987 1.00 0.00 H new ATOM 0 HB3 GLU B 51 24.220 -19.272 -14.449 1.00 0.00 H new ATOM 0 HG2 GLU B 51 24.688 -18.716 -12.074 1.00 0.00 H new ATOM 0 HG3 GLU B 51 24.164 -20.315 -11.584 1.00 0.00 H new ATOM 1546 N GLN B 52 21.074 -19.413 -11.330 1.00 0.00 N ATOM 1547 CA GLN B 52 20.344 -19.941 -10.182 1.00 0.00 C ATOM 1548 C GLN B 52 18.858 -20.191 -10.484 1.00 0.00 C ATOM 1549 O GLN B 52 18.388 -21.319 -10.340 1.00 0.00 O ATOM 1550 CB GLN B 52 20.525 -18.905 -9.050 1.00 0.00 C ATOM 1551 CG GLN B 52 19.521 -18.908 -7.879 1.00 0.00 C ATOM 1552 CD GLN B 52 19.399 -17.525 -7.238 1.00 0.00 C ATOM 1553 OE1 GLN B 52 19.720 -17.326 -6.075 1.00 0.00 O ATOM 1554 NE2 GLN B 52 18.976 -16.505 -7.959 1.00 0.00 N ATOM 0 H GLN B 52 21.167 -18.398 -11.299 1.00 0.00 H new ATOM 0 HA GLN B 52 20.737 -20.918 -9.900 1.00 0.00 H new ATOM 0 HB2 GLN B 52 21.522 -19.043 -8.632 1.00 0.00 H new ATOM 0 HB3 GLN B 52 20.503 -17.913 -9.502 1.00 0.00 H new ATOM 0 HG2 GLN B 52 18.544 -19.231 -8.238 1.00 0.00 H new ATOM 0 HG3 GLN B 52 19.839 -19.631 -7.128 1.00 0.00 H new ATOM 0 HE21 GLN B 52 18.703 -16.646 -8.931 1.00 0.00 H new ATOM 0 HE22 GLN B 52 18.922 -15.575 -7.544 1.00 0.00 H new ATOM 1563 N TRP B 53 18.094 -19.161 -10.867 1.00 0.00 N ATOM 1564 CA TRP B 53 16.634 -19.277 -11.029 1.00 0.00 C ATOM 1565 C TRP B 53 16.166 -20.149 -12.203 1.00 0.00 C ATOM 1566 O TRP B 53 15.085 -20.734 -12.136 1.00 0.00 O ATOM 1567 CB TRP B 53 15.987 -17.879 -11.004 1.00 0.00 C ATOM 1568 CG TRP B 53 16.626 -16.790 -11.810 1.00 0.00 C ATOM 1569 CD1 TRP B 53 16.973 -16.883 -13.111 1.00 0.00 C ATOM 1570 CD2 TRP B 53 16.990 -15.430 -11.401 1.00 0.00 C ATOM 1571 NE1 TRP B 53 17.550 -15.703 -13.525 1.00 0.00 N ATOM 1572 CE2 TRP B 53 17.591 -14.769 -12.515 1.00 0.00 C ATOM 1573 CE3 TRP B 53 16.874 -14.683 -10.208 1.00 0.00 C ATOM 1574 CZ2 TRP B 53 18.081 -13.455 -12.449 1.00 0.00 C ATOM 1575 CZ3 TRP B 53 17.347 -13.357 -10.137 1.00 0.00 C ATOM 1576 CH2 TRP B 53 17.960 -12.746 -11.244 1.00 0.00 C ATOM 0 H TRP B 53 18.462 -18.232 -11.072 1.00 0.00 H new ATOM 0 HA TRP B 53 16.275 -19.841 -10.168 1.00 0.00 H new ATOM 0 HB2 TRP B 53 14.956 -17.983 -11.342 1.00 0.00 H new ATOM 0 HB3 TRP B 53 15.950 -17.548 -9.966 1.00 0.00 H new ATOM 0 HD1 TRP B 53 16.821 -17.752 -13.734 1.00 0.00 H new ATOM 0 HE1 TRP B 53 17.905 -15.541 -14.468 1.00 0.00 H new ATOM 0 HE3 TRP B 53 16.417 -15.133 -9.339 1.00 0.00 H new ATOM 0 HZ2 TRP B 53 18.543 -12.997 -13.311 1.00 0.00 H new ATOM 0 HZ3 TRP B 53 17.237 -12.802 -9.217 1.00 0.00 H new ATOM 0 HH2 TRP B 53 18.336 -11.736 -11.168 1.00 0.00 H new ATOM 1587 N PHE B 54 16.970 -20.282 -13.261 1.00 0.00 N ATOM 1588 CA PHE B 54 16.625 -21.076 -14.455 1.00 0.00 C ATOM 1589 C PHE B 54 16.878 -22.595 -14.311 1.00 0.00 C ATOM 1590 O PHE B 54 16.473 -23.375 -15.175 1.00 0.00 O ATOM 1591 CB PHE B 54 17.329 -20.493 -15.697 1.00 0.00 C ATOM 1592 CG PHE B 54 18.639 -21.161 -16.088 1.00 0.00 C ATOM 1593 CD1 PHE B 54 19.671 -21.317 -15.144 1.00 0.00 C ATOM 1594 CD2 PHE B 54 18.800 -21.686 -17.385 1.00 0.00 C ATOM 1595 CE1 PHE B 54 20.846 -22.010 -15.486 1.00 0.00 C ATOM 1596 CE2 PHE B 54 19.982 -22.367 -17.731 1.00 0.00 C ATOM 1597 CZ PHE B 54 21.005 -22.531 -16.780 1.00 0.00 C ATOM 0 H PHE B 54 17.887 -19.840 -13.319 1.00 0.00 H new ATOM 0 HA PHE B 54 15.545 -20.993 -14.578 1.00 0.00 H new ATOM 0 HB2 PHE B 54 16.644 -20.555 -16.543 1.00 0.00 H new ATOM 0 HB3 PHE B 54 17.521 -19.435 -15.520 1.00 0.00 H new ATOM 0 HD1 PHE B 54 19.560 -20.903 -14.153 1.00 0.00 H new ATOM 0 HD2 PHE B 54 18.014 -21.566 -18.116 1.00 0.00 H new ATOM 0 HE1 PHE B 54 21.627 -22.142 -14.752 1.00 0.00 H new ATOM 0 HE2 PHE B 54 20.104 -22.764 -18.728 1.00 0.00 H new ATOM 0 HZ PHE B 54 21.911 -23.056 -17.044 1.00 0.00 H new ATOM 1607 N THR B 55 17.560 -23.022 -13.238 1.00 0.00 N ATOM 1608 CA THR B 55 17.948 -24.426 -12.971 1.00 0.00 C ATOM 1609 C THR B 55 16.780 -25.429 -12.914 1.00 0.00 C ATOM 1610 O THR B 55 16.978 -26.637 -13.046 1.00 0.00 O ATOM 1611 CB THR B 55 18.804 -24.482 -11.691 1.00 0.00 C ATOM 1612 OG1 THR B 55 19.642 -25.620 -11.677 1.00 0.00 O ATOM 1613 CG2 THR B 55 17.987 -24.485 -10.399 1.00 0.00 C ATOM 0 H THR B 55 17.869 -22.384 -12.505 1.00 0.00 H new ATOM 0 HA THR B 55 18.530 -24.753 -13.833 1.00 0.00 H new ATOM 0 HB THR B 55 19.395 -23.566 -11.720 1.00 0.00 H new ATOM 0 HG1 THR B 55 20.173 -25.625 -10.853 1.00 0.00 H new ATOM 0 HG21 THR B 55 18.660 -24.526 -9.543 1.00 0.00 H new ATOM 0 HG22 THR B 55 17.387 -23.577 -10.346 1.00 0.00 H new ATOM 0 HG23 THR B 55 17.330 -25.355 -10.386 1.00 0.00 H new