USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 453 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 14 ASN : amide:sc= -1.27 K(o=-2.5,f=-3.3) USER MOD Set 1.2: B 17 THR OG1 : rot -107:sc= -1.2 USER MOD Set 2.1: A 10 CYS SG : rot -10:sc= -8.34! USER MOD Set 2.2: B 10 CYS SG : rot 156:sc= -12.9! USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= -0.0148 USER MOD Single : A 14 ASN : amide:sc= -2.88 K(o=-2.9,f=-3.7!) USER MOD Single : A 17 THR OG1 : rot -147:sc= -5.06! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -5.3! C(o=-5.3!,f=-6.5!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : B 1 LYS N :NH3+ 139:sc= 0.0376 (180deg=0) USER MOD Single : B 1 LYS NZ :NH3+ 152:sc= -0.465 (180deg=-1.49!) USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 TYR OH : rot 15:sc= -0.322 USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN :FLIP amide:sc= -3.21! C(o=-5.5!,f=-3.2!) USER MOD Single : B 26 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N LEU A 2 6.725 4.410 -12.529 1.00 0.00 N ATOM 26 CA LEU A 2 8.012 4.251 -11.873 1.00 0.00 C ATOM 27 C LEU A 2 8.883 3.097 -12.438 1.00 0.00 C ATOM 28 O LEU A 2 8.435 2.218 -13.177 1.00 0.00 O ATOM 29 CB LEU A 2 7.814 4.131 -10.357 1.00 0.00 C ATOM 30 CG LEU A 2 7.381 2.780 -9.890 1.00 0.00 C ATOM 31 CD1 LEU A 2 6.893 2.816 -8.494 1.00 0.00 C ATOM 32 CD2 LEU A 2 6.287 2.310 -10.737 1.00 0.00 C ATOM 0 HA LEU A 2 8.586 5.152 -12.092 1.00 0.00 H new ATOM 0 HB2 LEU A 2 8.749 4.390 -9.860 1.00 0.00 H new ATOM 0 HB3 LEU A 2 7.072 4.865 -10.042 1.00 0.00 H new ATOM 0 HG LEU A 2 8.244 2.116 -9.946 1.00 0.00 H new ATOM 0 HD11 LEU A 2 6.587 1.815 -8.190 1.00 0.00 H new ATOM 0 HD12 LEU A 2 7.690 3.167 -7.839 1.00 0.00 H new ATOM 0 HD13 LEU A 2 6.042 3.493 -8.424 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.965 1.324 -10.402 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.451 3.006 -10.671 1.00 0.00 H new ATOM 0 HD23 LEU A 2 6.628 2.249 -11.771 1.00 0.00 H new ATOM 44 N PRO A 3 10.159 3.163 -12.055 1.00 0.00 N ATOM 45 CA PRO A 3 11.256 2.247 -12.422 1.00 0.00 C ATOM 46 C PRO A 3 10.972 0.775 -12.247 1.00 0.00 C ATOM 47 O PRO A 3 10.061 0.370 -11.532 1.00 0.00 O ATOM 48 CB PRO A 3 12.374 2.632 -11.476 1.00 0.00 C ATOM 49 CG PRO A 3 12.083 4.032 -11.093 1.00 0.00 C ATOM 50 CD PRO A 3 10.605 4.208 -11.180 1.00 0.00 C ATOM 0 HA PRO A 3 11.464 2.355 -13.487 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.395 1.980 -10.603 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.347 2.549 -11.960 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.437 4.237 -10.083 1.00 0.00 H new ATOM 0 HG3 PRO A 3 12.594 4.728 -11.758 1.00 0.00 H new ATOM 0 HD2 PRO A 3 10.139 4.127 -10.198 1.00 0.00 H new ATOM 0 HD3 PRO A 3 10.347 5.191 -11.575 1.00 0.00 H new ATOM 58 N PRO A 4 11.805 -0.040 -12.900 1.00 0.00 N ATOM 59 CA PRO A 4 11.748 -1.490 -12.849 1.00 0.00 C ATOM 60 C PRO A 4 11.771 -2.030 -11.462 1.00 0.00 C ATOM 61 O PRO A 4 12.302 -1.414 -10.538 1.00 0.00 O ATOM 62 CB PRO A 4 12.975 -1.876 -13.599 1.00 0.00 C ATOM 63 CG PRO A 4 13.086 -0.807 -14.568 1.00 0.00 C ATOM 64 CD PRO A 4 12.916 0.376 -13.752 1.00 0.00 C ATOM 0 HA PRO A 4 10.821 -1.887 -13.263 1.00 0.00 H new ATOM 0 HB2 PRO A 4 13.849 -1.931 -12.950 1.00 0.00 H new ATOM 0 HB3 PRO A 4 12.871 -2.850 -14.077 1.00 0.00 H new ATOM 0 HG2 PRO A 4 14.052 -0.816 -15.073 1.00 0.00 H new ATOM 0 HG3 PRO A 4 12.321 -0.880 -15.341 1.00 0.00 H new ATOM 0 HD2 PRO A 4 13.811 0.615 -13.178 1.00 0.00 H new ATOM 0 HD3 PRO A 4 12.674 1.257 -14.346 1.00 0.00 H new ATOM 72 N GLY A 5 11.169 -3.184 -11.328 1.00 0.00 N ATOM 73 CA GLY A 5 11.086 -3.818 -10.052 1.00 0.00 C ATOM 74 C GLY A 5 10.043 -3.185 -9.137 1.00 0.00 C ATOM 75 O GLY A 5 9.545 -3.843 -8.225 1.00 0.00 O ATOM 0 H GLY A 5 10.731 -3.698 -12.092 1.00 0.00 H new ATOM 0 HA2 GLY A 5 10.847 -4.872 -10.191 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.061 -3.774 -9.567 1.00 0.00 H new ATOM 79 N TRP A 6 9.706 -1.905 -9.376 1.00 0.00 N ATOM 80 CA TRP A 6 8.730 -1.210 -8.567 1.00 0.00 C ATOM 81 C TRP A 6 7.334 -1.683 -8.884 1.00 0.00 C ATOM 82 O TRP A 6 7.022 -2.038 -10.023 1.00 0.00 O ATOM 83 CB TRP A 6 8.755 0.291 -8.836 1.00 0.00 C ATOM 84 CG TRP A 6 9.718 1.088 -8.051 1.00 0.00 C ATOM 85 CD1 TRP A 6 10.663 1.862 -8.576 1.00 0.00 C ATOM 86 CD2 TRP A 6 9.796 1.258 -6.653 1.00 0.00 C ATOM 87 NE1 TRP A 6 11.431 2.418 -7.596 1.00 0.00 N ATOM 88 CE2 TRP A 6 10.900 2.070 -6.389 1.00 0.00 C ATOM 89 CE3 TRP A 6 9.070 0.783 -5.606 1.00 0.00 C ATOM 90 CZ2 TRP A 6 11.272 2.403 -5.097 1.00 0.00 C ATOM 91 CZ3 TRP A 6 9.426 1.116 -4.342 1.00 0.00 C ATOM 92 CH2 TRP A 6 10.506 1.902 -4.090 1.00 0.00 C ATOM 0 H TRP A 6 10.105 -1.343 -10.128 1.00 0.00 H new ATOM 0 HA TRP A 6 8.987 -1.418 -7.528 1.00 0.00 H new ATOM 0 HB2 TRP A 6 8.969 0.444 -9.894 1.00 0.00 H new ATOM 0 HB3 TRP A 6 7.756 0.687 -8.652 1.00 0.00 H new ATOM 0 HD1 TRP A 6 10.803 2.028 -9.634 1.00 0.00 H new ATOM 0 HE1 TRP A 6 12.260 2.995 -7.741 1.00 0.00 H new ATOM 0 HE3 TRP A 6 8.216 0.145 -5.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 12.129 3.030 -4.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 8.837 0.748 -3.515 1.00 0.00 H new ATOM 0 HH2 TRP A 6 10.762 2.134 -3.067 1.00 0.00 H new ATOM 103 N GLU A 7 6.485 -1.620 -7.885 1.00 0.00 N ATOM 104 CA GLU A 7 5.095 -1.973 -8.058 1.00 0.00 C ATOM 105 C GLU A 7 4.263 -1.385 -6.947 1.00 0.00 C ATOM 106 O GLU A 7 4.282 -1.862 -5.809 1.00 0.00 O ATOM 107 CB GLU A 7 4.872 -3.479 -8.145 1.00 0.00 C ATOM 108 CG GLU A 7 5.566 -4.291 -7.056 1.00 0.00 C ATOM 109 CD GLU A 7 4.949 -5.663 -6.871 1.00 0.00 C ATOM 110 OE1 GLU A 7 5.386 -6.609 -7.560 1.00 0.00 O ATOM 111 OE2 GLU A 7 4.030 -5.793 -6.035 1.00 0.00 O ATOM 0 H GLU A 7 6.734 -1.326 -6.940 1.00 0.00 H new ATOM 0 HA GLU A 7 4.780 -1.551 -9.013 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.801 -3.677 -8.100 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.220 -3.828 -9.117 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.621 -4.402 -7.307 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.518 -3.745 -6.114 1.00 0.00 H new ATOM 118 N LYS A 8 3.539 -0.337 -7.297 1.00 0.00 N ATOM 119 CA LYS A 8 2.680 0.352 -6.343 1.00 0.00 C ATOM 120 C LYS A 8 1.839 -0.687 -5.582 1.00 0.00 C ATOM 121 O LYS A 8 1.181 -1.525 -6.203 1.00 0.00 O ATOM 122 CB LYS A 8 1.725 1.337 -7.071 1.00 0.00 C ATOM 123 CG LYS A 8 1.073 2.351 -6.137 1.00 0.00 C ATOM 124 CD LYS A 8 0.185 3.325 -6.895 1.00 0.00 C ATOM 125 CE LYS A 8 0.190 4.702 -6.247 1.00 0.00 C ATOM 126 NZ LYS A 8 -1.111 5.408 -6.420 1.00 0.00 N ATOM 0 H LYS A 8 3.527 0.059 -8.237 1.00 0.00 H new ATOM 0 HA LYS A 8 3.308 0.916 -5.653 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.283 1.870 -7.841 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.946 0.768 -7.578 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.481 1.827 -5.387 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.846 2.904 -5.603 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.528 3.406 -7.926 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.834 2.940 -6.928 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.409 4.601 -5.184 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.989 5.303 -6.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.063 6.341 -5.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.309 5.528 -7.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.871 4.848 -5.983 1.00 0.00 H new ATOM 140 N ARG A 9 1.868 -0.643 -4.252 1.00 0.00 N ATOM 141 CA ARG A 9 1.112 -1.600 -3.440 1.00 0.00 C ATOM 142 C ARG A 9 0.199 -0.884 -2.449 1.00 0.00 C ATOM 143 O ARG A 9 0.674 -0.293 -1.481 1.00 0.00 O ATOM 144 CB ARG A 9 2.074 -2.528 -2.692 1.00 0.00 C ATOM 145 CG ARG A 9 1.467 -3.874 -2.325 1.00 0.00 C ATOM 146 CD ARG A 9 2.070 -5.006 -3.143 1.00 0.00 C ATOM 147 NE ARG A 9 3.495 -5.030 -3.091 1.00 0.00 N ATOM 148 CZ ARG A 9 4.185 -5.603 -2.129 1.00 0.00 C ATOM 149 NH1 ARG A 9 3.618 -5.998 -0.991 1.00 0.00 N ATOM 150 NH2 ARG A 9 5.451 -5.764 -2.335 1.00 0.00 N ATOM 0 H ARG A 9 2.402 0.039 -3.714 1.00 0.00 H new ATOM 0 HA ARG A 9 0.487 -2.192 -4.109 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.957 -2.694 -3.309 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.410 -2.031 -1.782 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.626 -4.067 -1.264 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.389 -3.843 -2.486 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.682 -5.957 -2.779 1.00 0.00 H new ATOM 0 HD3 ARG A 9 1.751 -4.908 -4.181 1.00 0.00 H new ATOM 0 HE ARG A 9 4.010 -4.576 -3.845 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.618 -5.859 -0.844 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.183 -6.439 -0.266 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.869 -5.452 -3.212 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.032 -6.203 -1.621 1.00 0.00 H new ATOM 164 N CYS A 10 -1.112 -0.936 -2.700 1.00 0.00 N ATOM 165 CA CYS A 10 -2.083 -0.277 -1.823 1.00 0.00 C ATOM 166 C CYS A 10 -2.865 -1.278 -0.978 1.00 0.00 C ATOM 167 O CYS A 10 -3.759 -1.967 -1.475 1.00 0.00 O ATOM 168 CB CYS A 10 -3.044 0.599 -2.635 1.00 0.00 C ATOM 169 SG CYS A 10 -2.272 1.410 -4.075 1.00 0.00 S ATOM 0 H CYS A 10 -1.523 -1.423 -3.496 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.517 0.358 -1.141 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -3.876 -0.015 -2.980 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.462 1.364 -1.981 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.983 1.251 -4.023 1.00 0.00 H new ATOM 174 N PHE A 11 -2.532 -1.329 0.314 1.00 0.00 N ATOM 175 CA PHE A 11 -3.212 -2.216 1.252 1.00 0.00 C ATOM 176 C PHE A 11 -4.009 -1.402 2.269 1.00 0.00 C ATOM 177 O PHE A 11 -3.534 -0.375 2.761 1.00 0.00 O ATOM 178 CB PHE A 11 -2.210 -3.126 1.996 1.00 0.00 C ATOM 179 CG PHE A 11 -1.339 -2.413 2.999 1.00 0.00 C ATOM 180 CD1 PHE A 11 -1.827 -2.086 4.259 1.00 0.00 C ATOM 181 CD2 PHE A 11 -0.028 -2.086 2.691 1.00 0.00 C ATOM 182 CE1 PHE A 11 -1.025 -1.448 5.183 1.00 0.00 C ATOM 183 CE2 PHE A 11 0.775 -1.445 3.615 1.00 0.00 C ATOM 184 CZ PHE A 11 0.277 -1.127 4.861 1.00 0.00 C ATOM 0 H PHE A 11 -1.793 -0.764 0.732 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.889 -2.846 0.675 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.765 -3.911 2.510 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.570 -3.616 1.262 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.846 -2.334 4.518 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.370 -2.335 1.718 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.417 -1.200 6.158 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.794 -1.193 3.361 1.00 0.00 H new ATOM 0 HZ PHE A 11 0.905 -0.627 5.583 1.00 0.00 H new ATOM 194 N TYR A 12 -5.196 -1.884 2.620 1.00 0.00 N ATOM 195 CA TYR A 12 -6.012 -1.223 3.621 1.00 0.00 C ATOM 196 C TYR A 12 -5.533 -1.685 4.980 1.00 0.00 C ATOM 197 O TYR A 12 -5.274 -2.877 5.162 1.00 0.00 O ATOM 198 CB TYR A 12 -7.500 -1.563 3.454 1.00 0.00 C ATOM 199 CG TYR A 12 -8.197 -0.582 2.541 1.00 0.00 C ATOM 200 CD1 TYR A 12 -8.243 -0.795 1.169 1.00 0.00 C ATOM 201 CD2 TYR A 12 -8.787 0.573 3.033 1.00 0.00 C ATOM 202 CE1 TYR A 12 -8.842 0.086 0.326 1.00 0.00 C ATOM 203 CE2 TYR A 12 -9.390 1.454 2.201 1.00 0.00 C ATOM 204 CZ TYR A 12 -9.424 1.223 0.839 1.00 0.00 C ATOM 205 OH TYR A 12 -10.033 2.126 -0.004 1.00 0.00 O ATOM 0 H TYR A 12 -5.610 -2.728 2.225 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.913 -0.143 3.512 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.600 -2.571 3.050 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.986 -1.561 4.430 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.790 -1.686 0.761 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.765 0.772 4.094 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -8.861 -0.104 -0.737 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -9.848 2.345 2.605 1.00 0.00 H new ATOM 0 HH TYR A 12 -10.394 2.871 0.520 1.00 0.00 H new ATOM 215 N PHE A 13 -5.421 -0.777 5.935 1.00 0.00 N ATOM 216 CA PHE A 13 -4.996 -1.173 7.271 1.00 0.00 C ATOM 217 C PHE A 13 -6.117 -0.926 8.226 1.00 0.00 C ATOM 218 O PHE A 13 -6.590 0.200 8.372 1.00 0.00 O ATOM 219 CB PHE A 13 -3.754 -0.437 7.743 1.00 0.00 C ATOM 220 CG PHE A 13 -3.068 -1.154 8.874 1.00 0.00 C ATOM 221 CD1 PHE A 13 -2.264 -2.240 8.609 1.00 0.00 C ATOM 222 CD2 PHE A 13 -3.222 -0.745 10.195 1.00 0.00 C ATOM 223 CE1 PHE A 13 -1.615 -2.903 9.622 1.00 0.00 C ATOM 224 CE2 PHE A 13 -2.579 -1.400 11.217 1.00 0.00 C ATOM 225 CZ PHE A 13 -1.765 -2.481 10.933 1.00 0.00 C ATOM 0 H PHE A 13 -5.613 0.218 5.818 1.00 0.00 H new ATOM 0 HA PHE A 13 -4.738 -2.231 7.233 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -3.060 -0.327 6.910 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.028 0.568 8.064 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.142 -2.575 7.590 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.856 0.100 10.420 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.988 -3.753 9.397 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.709 -1.072 12.238 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.248 -2.994 11.730 1.00 0.00 H new ATOM 235 N ASN A 14 -6.544 -1.987 8.869 1.00 0.00 N ATOM 236 CA ASN A 14 -7.622 -1.887 9.801 1.00 0.00 C ATOM 237 C ASN A 14 -7.036 -1.786 11.188 1.00 0.00 C ATOM 238 O ASN A 14 -7.061 -2.752 11.928 1.00 0.00 O ATOM 239 CB ASN A 14 -8.556 -3.099 9.694 1.00 0.00 C ATOM 240 CG ASN A 14 -9.970 -2.795 10.163 1.00 0.00 C ATOM 241 OD1 ASN A 14 -10.258 -1.694 10.633 1.00 0.00 O ATOM 242 ND2 ASN A 14 -10.862 -3.773 10.039 1.00 0.00 N ATOM 0 H ASN A 14 -6.157 -2.924 8.759 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.218 -1.001 9.581 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.586 -3.438 8.659 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.150 -3.919 10.286 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -11.826 -3.625 10.339 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -10.583 -4.671 9.644 1.00 0.00 H new ATOM 249 N ARG A 15 -6.458 -0.628 11.506 1.00 0.00 N ATOM 250 CA ARG A 15 -5.796 -0.409 12.794 1.00 0.00 C ATOM 251 C ARG A 15 -6.571 -0.991 13.987 1.00 0.00 C ATOM 252 O ARG A 15 -5.955 -1.283 15.015 1.00 0.00 O ATOM 253 CB ARG A 15 -5.435 1.071 12.994 1.00 0.00 C ATOM 254 CG ARG A 15 -5.631 1.584 14.412 1.00 0.00 C ATOM 255 CD ARG A 15 -4.784 2.823 14.678 1.00 0.00 C ATOM 256 NE ARG A 15 -3.364 2.495 14.824 1.00 0.00 N ATOM 257 CZ ARG A 15 -2.803 2.074 15.962 1.00 0.00 C ATOM 258 NH1 ARG A 15 -3.534 1.926 17.065 1.00 0.00 N ATOM 259 NH2 ARG A 15 -1.504 1.798 15.996 1.00 0.00 N ATOM 0 H ARG A 15 -6.435 0.180 10.884 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.863 -0.972 12.759 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.393 1.219 12.709 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.040 1.674 12.317 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.683 1.819 14.573 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.367 0.801 15.123 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.910 3.531 13.859 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.137 3.316 15.584 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.765 2.594 14.005 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.532 2.134 17.047 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.096 1.604 17.928 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.937 1.908 15.155 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.073 1.477 16.863 1.00 0.00 H new ATOM 273 N ILE A 16 -7.884 -1.252 13.853 1.00 0.00 N ATOM 274 CA ILE A 16 -8.612 -1.874 14.899 1.00 0.00 C ATOM 275 C ILE A 16 -8.082 -3.272 15.071 1.00 0.00 C ATOM 276 O ILE A 16 -7.680 -3.703 16.153 1.00 0.00 O ATOM 277 CB ILE A 16 -10.058 -1.952 14.533 1.00 0.00 C ATOM 278 CG1 ILE A 16 -10.712 -0.585 14.669 1.00 0.00 C ATOM 279 CG2 ILE A 16 -10.672 -2.975 15.429 1.00 0.00 C ATOM 280 CD1 ILE A 16 -9.842 0.531 15.225 1.00 0.00 C ATOM 0 H ILE A 16 -8.433 -1.031 13.022 1.00 0.00 H new ATOM 0 HA ILE A 16 -8.503 -1.299 15.819 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.199 -2.247 13.493 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.072 -0.280 13.686 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.587 -0.688 15.311 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.733 -3.069 15.200 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.181 -3.936 15.275 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.551 -2.668 16.468 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.420 1.454 15.273 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.502 0.263 16.225 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.979 0.677 14.575 1.00 0.00 H new ATOM 292 N THR A 17 -8.054 -3.936 13.935 1.00 0.00 N ATOM 293 CA THR A 17 -7.548 -5.264 13.806 1.00 0.00 C ATOM 294 C THR A 17 -6.094 -5.208 13.418 1.00 0.00 C ATOM 295 O THR A 17 -5.485 -6.231 13.100 1.00 0.00 O ATOM 296 CB THR A 17 -8.394 -5.981 12.779 1.00 0.00 C ATOM 297 OG1 THR A 17 -8.084 -5.560 11.461 1.00 0.00 O ATOM 298 CG2 THR A 17 -9.843 -5.705 13.061 1.00 0.00 C ATOM 0 H THR A 17 -8.395 -3.545 13.057 1.00 0.00 H new ATOM 0 HA THR A 17 -7.605 -5.812 14.746 1.00 0.00 H new ATOM 0 HB THR A 17 -8.186 -7.049 12.849 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.894 -5.589 10.909 1.00 0.00 H new ATOM 0 HG21 THR A 17 -10.461 -6.219 12.325 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.094 -6.064 14.059 1.00 0.00 H new ATOM 0 HG23 THR A 17 -10.027 -4.632 13.004 1.00 0.00 H new ATOM 306 N GLY A 18 -5.581 -3.960 13.402 1.00 0.00 N ATOM 307 CA GLY A 18 -4.234 -3.659 12.965 1.00 0.00 C ATOM 308 C GLY A 18 -3.786 -4.636 11.913 1.00 0.00 C ATOM 309 O GLY A 18 -2.615 -5.011 11.841 1.00 0.00 O ATOM 0 H GLY A 18 -6.108 -3.138 13.698 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.193 -2.645 12.568 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.554 -3.695 13.816 1.00 0.00 H new ATOM 313 N LYS A 19 -4.761 -5.075 11.114 1.00 0.00 N ATOM 314 CA LYS A 19 -4.521 -6.034 10.076 1.00 0.00 C ATOM 315 C LYS A 19 -4.591 -5.376 8.715 1.00 0.00 C ATOM 316 O LYS A 19 -5.115 -4.272 8.568 1.00 0.00 O ATOM 317 CB LYS A 19 -5.491 -7.201 10.208 1.00 0.00 C ATOM 318 CG LYS A 19 -6.686 -7.085 9.306 1.00 0.00 C ATOM 319 CD LYS A 19 -7.193 -8.446 8.854 1.00 0.00 C ATOM 320 CE LYS A 19 -6.701 -8.790 7.457 1.00 0.00 C ATOM 321 NZ LYS A 19 -6.725 -10.257 7.201 1.00 0.00 N ATOM 0 H LYS A 19 -5.731 -4.766 11.182 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.513 -6.434 10.181 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.965 -8.129 9.985 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.830 -7.268 11.242 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.484 -6.556 9.827 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.425 -6.487 8.433 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.860 -9.211 9.556 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.283 -8.452 8.869 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.323 -8.283 6.719 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.685 -8.416 7.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.382 -10.447 6.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.112 -10.739 7.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.698 -10.610 7.298 1.00 0.00 H new ATOM 335 N ARG A 20 -4.013 -6.041 7.735 1.00 0.00 N ATOM 336 CA ARG A 20 -3.960 -5.499 6.392 1.00 0.00 C ATOM 337 C ARG A 20 -4.565 -6.394 5.336 1.00 0.00 C ATOM 338 O ARG A 20 -4.486 -7.623 5.399 1.00 0.00 O ATOM 339 CB ARG A 20 -2.511 -5.211 6.017 1.00 0.00 C ATOM 340 CG ARG A 20 -1.699 -6.457 5.690 1.00 0.00 C ATOM 341 CD ARG A 20 -0.213 -6.234 5.932 1.00 0.00 C ATOM 342 NE ARG A 20 0.084 -5.988 7.344 1.00 0.00 N ATOM 343 CZ ARG A 20 0.172 -6.947 8.271 1.00 0.00 C ATOM 344 NH1 ARG A 20 -0.010 -8.224 7.944 1.00 0.00 N ATOM 345 NH2 ARG A 20 0.444 -6.625 9.531 1.00 0.00 N ATOM 0 H ARG A 20 -3.574 -6.956 7.843 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.561 -4.590 6.413 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.495 -4.542 5.156 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.031 -4.682 6.840 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.047 -7.290 6.301 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.861 -6.735 4.649 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.344 -7.107 5.591 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.128 -5.386 5.337 1.00 0.00 H new ATOM 0 HE ARG A 20 0.233 -5.023 7.639 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.219 -8.478 6.979 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.059 -8.948 8.659 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.585 -5.648 9.789 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.512 -7.355 10.241 1.00 0.00 H new ATOM 359 N GLN A 21 -5.128 -5.733 4.337 1.00 0.00 N ATOM 360 CA GLN A 21 -5.715 -6.396 3.201 1.00 0.00 C ATOM 361 C GLN A 21 -5.507 -5.531 1.975 1.00 0.00 C ATOM 362 O GLN A 21 -5.551 -4.309 2.076 1.00 0.00 O ATOM 363 CB GLN A 21 -7.198 -6.616 3.387 1.00 0.00 C ATOM 364 CG GLN A 21 -7.762 -5.987 4.622 1.00 0.00 C ATOM 365 CD GLN A 21 -9.181 -6.409 4.902 1.00 0.00 C ATOM 366 OE1 GLN A 21 -9.427 -7.263 5.753 1.00 0.00 O ATOM 367 NE2 GLN A 21 -10.126 -5.822 4.196 1.00 0.00 N ATOM 0 H GLN A 21 -5.187 -4.715 4.299 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.235 -7.368 3.089 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.724 -6.220 2.518 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -7.394 -7.688 3.417 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.136 -6.249 5.475 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -7.725 -4.902 4.520 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.880 -5.118 3.500 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.104 -6.071 4.346 1.00 0.00 H new ATOM 376 N PHE A 22 -5.336 -6.134 0.814 1.00 0.00 N ATOM 377 CA PHE A 22 -5.188 -5.352 -0.413 1.00 0.00 C ATOM 378 C PHE A 22 -6.580 -5.001 -0.941 1.00 0.00 C ATOM 379 O PHE A 22 -6.862 -5.117 -2.136 1.00 0.00 O ATOM 380 CB PHE A 22 -4.423 -6.155 -1.455 1.00 0.00 C ATOM 381 CG PHE A 22 -2.970 -6.350 -1.122 1.00 0.00 C ATOM 382 CD1 PHE A 22 -2.134 -5.262 -0.930 1.00 0.00 C ATOM 383 CD2 PHE A 22 -2.439 -7.622 -0.994 1.00 0.00 C ATOM 384 CE1 PHE A 22 -0.809 -5.440 -0.620 1.00 0.00 C ATOM 385 CE2 PHE A 22 -1.113 -7.803 -0.685 1.00 0.00 C ATOM 386 CZ PHE A 22 -0.301 -6.711 -0.499 1.00 0.00 C ATOM 0 H PHE A 22 -5.296 -7.145 0.688 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.631 -4.439 -0.204 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.895 -7.131 -1.567 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.501 -5.651 -2.418 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.530 -4.262 -1.025 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.075 -8.483 -1.139 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.168 -4.584 -0.472 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.710 -8.800 -0.589 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.742 -6.852 -0.256 1.00 0.00 H new ATOM 396 N GLU A 23 -7.463 -4.643 -0.011 1.00 0.00 N ATOM 397 CA GLU A 23 -8.845 -4.354 -0.311 1.00 0.00 C ATOM 398 C GLU A 23 -9.434 -3.257 0.500 1.00 0.00 C ATOM 399 O GLU A 23 -9.159 -3.124 1.688 1.00 0.00 O ATOM 400 CB GLU A 23 -9.672 -5.586 0.023 1.00 0.00 C ATOM 401 CG GLU A 23 -10.887 -5.280 0.900 1.00 0.00 C ATOM 402 CD GLU A 23 -11.697 -6.513 1.256 1.00 0.00 C ATOM 403 OE1 GLU A 23 -11.118 -7.464 1.824 1.00 0.00 O ATOM 404 OE2 GLU A 23 -12.913 -6.525 0.971 1.00 0.00 O ATOM 0 H GLU A 23 -7.228 -4.547 0.977 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.864 -4.061 -1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.009 -6.051 -0.904 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.039 -6.313 0.532 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.551 -4.797 1.818 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.530 -4.568 0.382 1.00 0.00 H new ATOM 411 N ARG A 24 -10.400 -2.620 -0.135 1.00 0.00 N ATOM 412 CA ARG A 24 -11.234 -1.661 0.510 1.00 0.00 C ATOM 413 C ARG A 24 -12.325 -2.512 1.123 1.00 0.00 C ATOM 414 O ARG A 24 -13.147 -3.109 0.424 1.00 0.00 O ATOM 415 CB ARG A 24 -11.747 -0.651 -0.485 1.00 0.00 C ATOM 416 CG ARG A 24 -12.700 0.320 0.124 1.00 0.00 C ATOM 417 CD ARG A 24 -12.971 1.476 -0.812 1.00 0.00 C ATOM 418 NE ARG A 24 -13.279 2.703 -0.088 1.00 0.00 N ATOM 419 CZ ARG A 24 -14.407 2.911 0.599 1.00 0.00 C ATOM 420 NH1 ARG A 24 -15.364 1.986 0.628 1.00 0.00 N ATOM 421 NH2 ARG A 24 -14.579 4.052 1.254 1.00 0.00 N ATOM 0 H ARG A 24 -10.618 -2.765 -1.121 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.727 -1.059 1.264 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.905 -0.108 -0.913 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.240 -1.173 -1.305 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.636 -0.185 0.363 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.292 0.696 1.062 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.101 1.639 -1.448 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -13.804 1.224 -1.469 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.588 3.453 -0.107 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -15.241 1.108 0.123 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -16.221 2.155 1.155 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.852 4.767 1.232 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.438 4.214 1.779 1.00 0.00 H new ATOM 435 N PRO A 25 -12.266 -2.647 2.440 1.00 0.00 N ATOM 436 CA PRO A 25 -13.162 -3.515 3.201 1.00 0.00 C ATOM 437 C PRO A 25 -14.628 -3.245 2.983 1.00 0.00 C ATOM 438 O PRO A 25 -15.066 -2.110 2.781 1.00 0.00 O ATOM 439 CB PRO A 25 -12.732 -3.332 4.627 1.00 0.00 C ATOM 440 CG PRO A 25 -11.356 -2.771 4.551 1.00 0.00 C ATOM 441 CD PRO A 25 -11.271 -1.990 3.287 1.00 0.00 C ATOM 0 HA PRO A 25 -13.077 -4.551 2.872 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.404 -2.657 5.157 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.742 -4.279 5.166 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.152 -2.134 5.412 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.614 -3.569 4.561 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.504 -0.937 3.444 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.274 -2.034 2.850 1.00 0.00 H new ATOM 449 N SER A 26 -15.358 -4.350 3.007 1.00 0.00 N ATOM 450 CA SER A 26 -16.798 -4.387 2.803 1.00 0.00 C ATOM 451 C SER A 26 -17.475 -3.254 3.472 1.00 0.00 C ATOM 452 O SER A 26 -18.374 -2.614 2.921 1.00 0.00 O ATOM 453 CB SER A 26 -17.349 -5.678 3.339 1.00 0.00 C ATOM 454 OG SER A 26 -18.765 -5.717 3.262 1.00 0.00 O ATOM 0 H SER A 26 -14.953 -5.271 3.174 1.00 0.00 H new ATOM 0 HA SER A 26 -16.985 -4.310 1.732 1.00 0.00 H new ATOM 0 HB2 SER A 26 -16.931 -6.513 2.777 1.00 0.00 H new ATOM 0 HB3 SER A 26 -17.037 -5.804 4.376 1.00 0.00 H new ATOM 0 HG SER A 26 -19.089 -6.571 3.618 1.00 0.00 H new ATOM 460 N ASP A 27 -16.982 -2.999 4.646 1.00 0.00 N ATOM 461 CA ASP A 27 -17.446 -1.908 5.449 1.00 0.00 C ATOM 462 C ASP A 27 -18.871 -2.112 5.988 1.00 0.00 C ATOM 463 O ASP A 27 -19.689 -2.765 5.305 1.00 0.00 O ATOM 464 CB ASP A 27 -17.319 -0.685 4.582 1.00 0.00 C ATOM 465 CG ASP A 27 -18.529 0.233 4.598 1.00 0.00 C ATOM 466 OD1 ASP A 27 -18.573 1.140 5.456 1.00 0.00 O ATOM 467 OD2 ASP A 27 -19.430 0.045 3.754 1.00 0.00 O ATOM 468 OXT ASP A 27 -19.153 -1.611 7.097 1.00 0.00 O ATOM 0 H ASP A 27 -16.239 -3.548 5.078 1.00 0.00 H new ATOM 0 HA ASP A 27 -16.848 -1.814 6.356 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -16.445 -0.118 4.903 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -17.134 -1.002 3.556 1.00 0.00 H new ATOM 474 N LYS B 1 -17.705 6.223 3.898 1.00 0.00 N ATOM 475 CA LYS B 1 -16.229 6.018 3.914 1.00 0.00 C ATOM 476 C LYS B 1 -15.852 4.706 4.594 1.00 0.00 C ATOM 477 O LYS B 1 -16.717 3.953 5.049 1.00 0.00 O ATOM 478 CB LYS B 1 -15.570 7.192 4.659 1.00 0.00 C ATOM 479 CG LYS B 1 -15.104 8.339 3.770 1.00 0.00 C ATOM 480 CD LYS B 1 -13.929 7.943 2.882 1.00 0.00 C ATOM 481 CE LYS B 1 -14.382 7.400 1.536 1.00 0.00 C ATOM 482 NZ LYS B 1 -15.440 8.243 0.907 1.00 0.00 N ATOM 0 H1 LYS B 1 -17.920 7.219 4.108 1.00 0.00 H new ATOM 0 H2 LYS B 1 -18.079 5.979 2.959 1.00 0.00 H new ATOM 0 H3 LYS B 1 -18.148 5.614 4.616 1.00 0.00 H new ATOM 0 HA LYS B 1 -15.876 5.973 2.884 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -16.279 7.583 5.389 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -14.714 6.814 5.217 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -15.933 8.671 3.145 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -14.816 9.185 4.394 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -13.287 8.810 2.724 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -13.328 7.190 3.392 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -13.525 7.338 0.866 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -14.759 6.386 1.665 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -15.387 8.152 -0.128 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -16.375 7.928 1.235 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -15.296 9.238 1.175 1.00 0.00 H new ATOM 498 N LEU B 2 -14.547 4.448 4.654 1.00 0.00 N ATOM 499 CA LEU B 2 -14.015 3.243 5.269 1.00 0.00 C ATOM 500 C LEU B 2 -14.536 2.991 6.674 1.00 0.00 C ATOM 501 O LEU B 2 -14.824 3.916 7.437 1.00 0.00 O ATOM 502 CB LEU B 2 -12.523 3.352 5.390 1.00 0.00 C ATOM 503 CG LEU B 2 -11.720 3.099 4.136 1.00 0.00 C ATOM 504 CD1 LEU B 2 -10.287 3.430 4.423 1.00 0.00 C ATOM 505 CD2 LEU B 2 -11.827 1.657 3.703 1.00 0.00 C ATOM 0 H LEU B 2 -13.833 5.071 4.277 1.00 0.00 H new ATOM 0 HA LEU B 2 -14.332 2.425 4.622 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -12.283 4.352 5.752 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -12.191 2.649 6.154 1.00 0.00 H new ATOM 0 HG LEU B 2 -12.108 3.721 3.330 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -9.687 3.255 3.530 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -10.207 4.477 4.714 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -9.923 2.799 5.234 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -11.239 1.504 2.798 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -11.449 1.010 4.495 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -12.871 1.414 3.503 1.00 0.00 H new ATOM 517 N PRO B 3 -14.577 1.706 7.036 1.00 0.00 N ATOM 518 CA PRO B 3 -14.968 1.240 8.367 1.00 0.00 C ATOM 519 C PRO B 3 -13.952 1.656 9.395 1.00 0.00 C ATOM 520 O PRO B 3 -12.804 1.956 9.066 1.00 0.00 O ATOM 521 CB PRO B 3 -14.976 -0.271 8.257 1.00 0.00 C ATOM 522 CG PRO B 3 -14.934 -0.530 6.798 1.00 0.00 C ATOM 523 CD PRO B 3 -14.182 0.597 6.181 1.00 0.00 C ATOM 0 HA PRO B 3 -15.929 1.653 8.673 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -14.118 -0.712 8.765 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -15.870 -0.699 8.712 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -14.445 -1.481 6.588 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -15.942 -0.593 6.388 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -13.105 0.430 6.196 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -14.465 0.759 5.141 1.00 0.00 H new ATOM 531 N PRO B 4 -14.356 1.683 10.651 1.00 0.00 N ATOM 532 CA PRO B 4 -13.500 2.058 11.750 1.00 0.00 C ATOM 533 C PRO B 4 -12.171 1.374 11.746 1.00 0.00 C ATOM 534 O PRO B 4 -12.039 0.202 11.386 1.00 0.00 O ATOM 535 CB PRO B 4 -14.326 1.684 12.920 1.00 0.00 C ATOM 536 CG PRO B 4 -15.665 1.992 12.446 1.00 0.00 C ATOM 537 CD PRO B 4 -15.694 1.360 11.141 1.00 0.00 C ATOM 0 HA PRO B 4 -13.216 3.110 11.722 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -14.216 0.631 13.179 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -14.063 2.260 13.807 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -16.432 1.589 13.108 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -15.834 3.067 12.379 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -15.862 0.285 11.206 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -16.478 1.767 10.502 1.00 0.00 H new ATOM 545 N GLY B 5 -11.191 2.146 12.148 1.00 0.00 N ATOM 546 CA GLY B 5 -9.841 1.672 12.201 1.00 0.00 C ATOM 547 C GLY B 5 -9.187 1.466 10.832 1.00 0.00 C ATOM 548 O GLY B 5 -7.974 1.289 10.765 1.00 0.00 O ATOM 0 H GLY B 5 -11.312 3.114 12.445 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -9.242 2.381 12.773 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -9.822 0.727 12.745 1.00 0.00 H new ATOM 552 N TRP B 6 -9.967 1.479 9.736 1.00 0.00 N ATOM 553 CA TRP B 6 -9.403 1.273 8.407 1.00 0.00 C ATOM 554 C TRP B 6 -8.832 2.550 7.828 1.00 0.00 C ATOM 555 O TRP B 6 -9.332 3.650 8.074 1.00 0.00 O ATOM 556 CB TRP B 6 -10.464 0.783 7.427 1.00 0.00 C ATOM 557 CG TRP B 6 -10.691 -0.673 7.371 1.00 0.00 C ATOM 558 CD1 TRP B 6 -11.875 -1.252 7.539 1.00 0.00 C ATOM 559 CD2 TRP B 6 -9.781 -1.708 7.076 1.00 0.00 C ATOM 560 NE1 TRP B 6 -11.778 -2.600 7.454 1.00 0.00 N ATOM 561 CE2 TRP B 6 -10.490 -2.916 7.157 1.00 0.00 C ATOM 562 CE3 TRP B 6 -8.442 -1.748 6.772 1.00 0.00 C ATOM 563 CZ2 TRP B 6 -9.883 -4.140 6.936 1.00 0.00 C ATOM 564 CZ3 TRP B 6 -7.842 -2.955 6.551 1.00 0.00 C ATOM 565 CH2 TRP B 6 -8.544 -4.127 6.633 1.00 0.00 C ATOM 0 H TRP B 6 -10.976 1.629 9.752 1.00 0.00 H new ATOM 0 HA TRP B 6 -8.615 0.531 8.534 1.00 0.00 H new ATOM 0 HB2 TRP B 6 -11.409 1.265 7.679 1.00 0.00 H new ATOM 0 HB3 TRP B 6 -10.188 1.123 6.429 1.00 0.00 H new ATOM 0 HD1 TRP B 6 -12.796 -0.717 7.720 1.00 0.00 H new ATOM 0 HE1 TRP B 6 -12.540 -3.264 7.590 1.00 0.00 H new ATOM 0 HE3 TRP B 6 -7.870 -0.834 6.708 1.00 0.00 H new ATOM 0 HZ2 TRP B 6 -10.438 -5.064 6.999 1.00 0.00 H new ATOM 0 HZ3 TRP B 6 -6.791 -2.985 6.306 1.00 0.00 H new ATOM 0 HH2 TRP B 6 -8.033 -5.062 6.455 1.00 0.00 H new ATOM 576 N GLU B 7 -7.824 2.372 7.001 1.00 0.00 N ATOM 577 CA GLU B 7 -7.197 3.472 6.292 1.00 0.00 C ATOM 578 C GLU B 7 -6.491 2.931 5.063 1.00 0.00 C ATOM 579 O GLU B 7 -5.646 2.038 5.162 1.00 0.00 O ATOM 580 CB GLU B 7 -6.230 4.262 7.187 1.00 0.00 C ATOM 581 CG GLU B 7 -5.204 3.406 7.927 1.00 0.00 C ATOM 582 CD GLU B 7 -5.646 3.006 9.328 1.00 0.00 C ATOM 583 OE1 GLU B 7 -6.554 3.661 9.887 1.00 0.00 O ATOM 584 OE2 GLU B 7 -5.076 2.037 9.871 1.00 0.00 O ATOM 0 H GLU B 7 -7.414 1.460 6.800 1.00 0.00 H new ATOM 0 HA GLU B 7 -7.972 4.175 5.987 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -5.700 4.990 6.573 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -6.810 4.824 7.919 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -5.007 2.505 7.346 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -4.265 3.955 7.994 1.00 0.00 H new ATOM 591 N LYS B 8 -6.861 3.456 3.902 1.00 0.00 N ATOM 592 CA LYS B 8 -6.279 3.002 2.655 1.00 0.00 C ATOM 593 C LYS B 8 -4.860 3.554 2.510 1.00 0.00 C ATOM 594 O LYS B 8 -4.666 4.758 2.328 1.00 0.00 O ATOM 595 CB LYS B 8 -7.139 3.451 1.447 1.00 0.00 C ATOM 596 CG LYS B 8 -6.795 2.711 0.160 1.00 0.00 C ATOM 597 CD LYS B 8 -7.436 3.369 -1.053 1.00 0.00 C ATOM 598 CE LYS B 8 -6.393 3.995 -1.967 1.00 0.00 C ATOM 599 NZ LYS B 8 -5.841 5.260 -1.402 1.00 0.00 N ATOM 0 H LYS B 8 -7.559 4.193 3.802 1.00 0.00 H new ATOM 0 HA LYS B 8 -6.246 1.913 2.671 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -8.192 3.293 1.680 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -7.004 4.521 1.291 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -5.713 2.686 0.032 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -7.131 1.677 0.233 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -8.010 2.628 -1.609 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -8.139 4.135 -0.724 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -5.581 3.286 -2.129 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -6.839 4.197 -2.941 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -5.134 5.653 -2.056 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -6.611 5.947 -1.271 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -5.392 5.064 -0.485 1.00 0.00 H new ATOM 613 N ARG B 9 -3.880 2.665 2.593 1.00 0.00 N ATOM 614 CA ARG B 9 -2.471 3.045 2.472 1.00 0.00 C ATOM 615 C ARG B 9 -1.850 2.399 1.237 1.00 0.00 C ATOM 616 O ARG B 9 -2.368 1.402 0.733 1.00 0.00 O ATOM 617 CB ARG B 9 -1.696 2.626 3.726 1.00 0.00 C ATOM 618 CG ARG B 9 -1.352 3.787 4.647 1.00 0.00 C ATOM 619 CD ARG B 9 -0.194 3.442 5.572 1.00 0.00 C ATOM 620 NE ARG B 9 -0.386 2.209 6.258 1.00 0.00 N ATOM 621 CZ ARG B 9 -0.821 2.117 7.497 1.00 0.00 C ATOM 622 NH1 ARG B 9 -1.345 3.157 8.142 1.00 0.00 N ATOM 623 NH2 ARG B 9 -0.725 0.960 8.064 1.00 0.00 N ATOM 0 H ARG B 9 -4.032 1.668 2.745 1.00 0.00 H new ATOM 0 HA ARG B 9 -2.415 4.129 2.368 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -2.286 1.896 4.280 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -0.775 2.128 3.424 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -1.094 4.662 4.050 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -2.226 4.053 5.241 1.00 0.00 H new ATOM 0 HD2 ARG B 9 0.727 3.390 4.991 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -0.066 4.242 6.301 1.00 0.00 H new ATOM 0 HE ARG B 9 -0.174 1.345 5.759 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -1.419 4.061 7.676 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -1.672 3.050 9.102 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -0.327 0.173 7.552 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -1.047 0.834 9.023 1.00 0.00 H new ATOM 637 N CYS B 10 -0.746 2.966 0.741 1.00 0.00 N ATOM 638 CA CYS B 10 -0.097 2.408 -0.446 1.00 0.00 C ATOM 639 C CYS B 10 1.394 2.709 -0.515 1.00 0.00 C ATOM 640 O CYS B 10 1.801 3.845 -0.771 1.00 0.00 O ATOM 641 CB CYS B 10 -0.781 2.923 -1.720 1.00 0.00 C ATOM 642 SG CYS B 10 -0.074 2.276 -3.267 1.00 0.00 S ATOM 0 H CYS B 10 -0.293 3.791 1.133 1.00 0.00 H new ATOM 0 HA CYS B 10 -0.204 1.326 -0.370 1.00 0.00 H new ATOM 0 HB2 CYS B 10 -1.839 2.662 -1.681 1.00 0.00 H new ATOM 0 HB3 CYS B 10 -0.722 4.011 -1.735 1.00 0.00 H new ATOM 0 HG CYS B 10 -0.969 2.329 -4.208 1.00 0.00 H new ATOM 647 N PHE B 11 2.201 1.662 -0.338 1.00 0.00 N ATOM 648 CA PHE B 11 3.647 1.786 -0.434 1.00 0.00 C ATOM 649 C PHE B 11 4.130 1.114 -1.717 1.00 0.00 C ATOM 650 O PHE B 11 3.745 -0.017 -2.020 1.00 0.00 O ATOM 651 CB PHE B 11 4.367 1.156 0.778 1.00 0.00 C ATOM 652 CG PHE B 11 4.325 -0.347 0.805 1.00 0.00 C ATOM 653 CD1 PHE B 11 5.201 -1.092 0.015 1.00 0.00 C ATOM 654 CD2 PHE B 11 3.421 -1.019 1.619 1.00 0.00 C ATOM 655 CE1 PHE B 11 5.172 -2.480 0.039 1.00 0.00 C ATOM 656 CE2 PHE B 11 3.388 -2.408 1.649 1.00 0.00 C ATOM 657 CZ PHE B 11 4.265 -3.139 0.858 1.00 0.00 C ATOM 0 H PHE B 11 1.872 0.720 -0.127 1.00 0.00 H new ATOM 0 HA PHE B 11 3.888 2.849 -0.446 1.00 0.00 H new ATOM 0 HB2 PHE B 11 5.408 1.480 0.777 1.00 0.00 H new ATOM 0 HB3 PHE B 11 3.916 1.538 1.694 1.00 0.00 H new ATOM 0 HD1 PHE B 11 5.909 -0.584 -0.622 1.00 0.00 H new ATOM 0 HD2 PHE B 11 2.736 -0.455 2.235 1.00 0.00 H new ATOM 0 HE1 PHE B 11 5.854 -3.046 -0.578 1.00 0.00 H new ATOM 0 HE2 PHE B 11 2.681 -2.918 2.287 1.00 0.00 H new ATOM 0 HZ PHE B 11 4.241 -4.219 0.880 1.00 0.00 H new ATOM 667 N TYR B 12 4.997 1.793 -2.445 1.00 0.00 N ATOM 668 CA TYR B 12 5.572 1.243 -3.658 1.00 0.00 C ATOM 669 C TYR B 12 6.646 0.255 -3.252 1.00 0.00 C ATOM 670 O TYR B 12 7.369 0.507 -2.289 1.00 0.00 O ATOM 671 CB TYR B 12 6.189 2.342 -4.522 1.00 0.00 C ATOM 672 CG TYR B 12 5.223 2.855 -5.565 1.00 0.00 C ATOM 673 CD1 TYR B 12 5.117 2.232 -6.793 1.00 0.00 C ATOM 674 CD2 TYR B 12 4.433 3.983 -5.340 1.00 0.00 C ATOM 675 CE1 TYR B 12 4.283 2.699 -7.770 1.00 0.00 C ATOM 676 CE2 TYR B 12 3.578 4.465 -6.303 1.00 0.00 C ATOM 677 CZ TYR B 12 3.501 3.822 -7.533 1.00 0.00 C ATOM 678 OH TYR B 12 2.660 4.303 -8.513 1.00 0.00 O ATOM 0 H TYR B 12 5.320 2.733 -2.215 1.00 0.00 H new ATOM 0 HA TYR B 12 4.792 0.757 -4.245 1.00 0.00 H new ATOM 0 HB2 TYR B 12 6.506 3.168 -3.885 1.00 0.00 H new ATOM 0 HB3 TYR B 12 7.082 1.957 -5.014 1.00 0.00 H new ATOM 0 HD1 TYR B 12 5.710 1.351 -6.987 1.00 0.00 H new ATOM 0 HD2 TYR B 12 4.495 4.489 -4.388 1.00 0.00 H new ATOM 0 HE1 TYR B 12 4.232 2.196 -8.724 1.00 0.00 H new ATOM 0 HE2 TYR B 12 2.971 5.336 -6.105 1.00 0.00 H new ATOM 0 HH TYR B 12 2.549 3.624 -9.211 1.00 0.00 H new ATOM 688 N PHE B 13 6.775 -0.849 -3.969 1.00 0.00 N ATOM 689 CA PHE B 13 7.815 -1.816 -3.637 1.00 0.00 C ATOM 690 C PHE B 13 8.712 -2.016 -4.824 1.00 0.00 C ATOM 691 O PHE B 13 8.275 -2.466 -5.883 1.00 0.00 O ATOM 692 CB PHE B 13 7.251 -3.152 -3.187 1.00 0.00 C ATOM 693 CG PHE B 13 8.272 -3.979 -2.458 1.00 0.00 C ATOM 694 CD1 PHE B 13 8.549 -3.715 -1.129 1.00 0.00 C ATOM 695 CD2 PHE B 13 8.945 -5.027 -3.088 1.00 0.00 C ATOM 696 CE1 PHE B 13 9.473 -4.468 -0.432 1.00 0.00 C ATOM 697 CE2 PHE B 13 9.867 -5.796 -2.400 1.00 0.00 C ATOM 698 CZ PHE B 13 10.135 -5.517 -1.064 1.00 0.00 C ATOM 0 H PHE B 13 6.190 -1.097 -4.767 1.00 0.00 H new ATOM 0 HA PHE B 13 8.381 -1.409 -2.799 1.00 0.00 H new ATOM 0 HB2 PHE B 13 6.392 -2.982 -2.538 1.00 0.00 H new ATOM 0 HB3 PHE B 13 6.891 -3.704 -4.055 1.00 0.00 H new ATOM 0 HD1 PHE B 13 8.035 -2.908 -0.629 1.00 0.00 H new ATOM 0 HD2 PHE B 13 8.743 -5.241 -4.127 1.00 0.00 H new ATOM 0 HE1 PHE B 13 9.682 -4.243 0.603 1.00 0.00 H new ATOM 0 HE2 PHE B 13 10.376 -6.608 -2.898 1.00 0.00 H new ATOM 0 HZ PHE B 13 10.853 -6.112 -0.519 1.00 0.00 H new ATOM 708 N ASN B 14 9.972 -1.677 -4.635 1.00 0.00 N ATOM 709 CA ASN B 14 10.941 -1.811 -5.688 1.00 0.00 C ATOM 710 C ASN B 14 11.591 -3.170 -5.562 1.00 0.00 C ATOM 711 O ASN B 14 12.731 -3.265 -5.141 1.00 0.00 O ATOM 712 CB ASN B 14 11.994 -0.690 -5.620 1.00 0.00 C ATOM 713 CG ASN B 14 12.855 -0.584 -6.864 1.00 0.00 C ATOM 714 OD1 ASN B 14 14.063 -0.374 -6.782 1.00 0.00 O ATOM 715 ND2 ASN B 14 12.237 -0.720 -8.016 1.00 0.00 N ATOM 0 H ASN B 14 10.342 -1.307 -3.759 1.00 0.00 H new ATOM 0 HA ASN B 14 10.446 -1.724 -6.655 1.00 0.00 H new ATOM 0 HB2 ASN B 14 11.488 0.262 -5.457 1.00 0.00 H new ATOM 0 HB3 ASN B 14 12.638 -0.861 -4.757 1.00 0.00 H new ATOM 0 HD21 ASN B 14 12.762 -0.652 -8.888 1.00 0.00 H new ATOM 0 HD22 ASN B 14 11.232 -0.894 -8.038 1.00 0.00 H new ATOM 722 N ARG B 15 10.826 -4.218 -5.870 1.00 0.00 N ATOM 723 CA ARG B 15 11.295 -5.602 -5.734 1.00 0.00 C ATOM 724 C ARG B 15 12.749 -5.807 -6.179 1.00 0.00 C ATOM 725 O ARG B 15 13.399 -6.735 -5.691 1.00 0.00 O ATOM 726 CB ARG B 15 10.340 -6.598 -6.418 1.00 0.00 C ATOM 727 CG ARG B 15 11.027 -7.650 -7.279 1.00 0.00 C ATOM 728 CD ARG B 15 10.152 -8.886 -7.456 1.00 0.00 C ATOM 729 NE ARG B 15 10.017 -9.645 -6.211 1.00 0.00 N ATOM 730 CZ ARG B 15 10.974 -10.423 -5.697 1.00 0.00 C ATOM 731 NH1 ARG B 15 12.143 -10.562 -6.319 1.00 0.00 N ATOM 732 NH2 ARG B 15 10.760 -11.067 -4.554 1.00 0.00 N ATOM 0 H ARG B 15 9.871 -4.135 -6.218 1.00 0.00 H new ATOM 0 HA ARG B 15 11.285 -5.812 -4.665 1.00 0.00 H new ATOM 0 HB2 ARG B 15 9.753 -7.103 -5.651 1.00 0.00 H new ATOM 0 HB3 ARG B 15 9.640 -6.040 -7.040 1.00 0.00 H new ATOM 0 HG2 ARG B 15 11.261 -7.226 -8.255 1.00 0.00 H new ATOM 0 HG3 ARG B 15 11.974 -7.936 -6.820 1.00 0.00 H new ATOM 0 HD2 ARG B 15 9.165 -8.584 -7.806 1.00 0.00 H new ATOM 0 HD3 ARG B 15 10.581 -9.527 -8.227 1.00 0.00 H new ATOM 0 HE ARG B 15 9.135 -9.575 -5.703 1.00 0.00 H new ATOM 0 HH11 ARG B 15 12.315 -10.072 -7.197 1.00 0.00 H new ATOM 0 HH12 ARG B 15 12.867 -11.158 -5.918 1.00 0.00 H new ATOM 0 HH21 ARG B 15 9.867 -10.967 -4.072 1.00 0.00 H new ATOM 0 HH22 ARG B 15 11.489 -11.662 -4.159 1.00 0.00 H new ATOM 746 N ILE B 16 13.304 -4.932 -7.036 1.00 0.00 N ATOM 747 CA ILE B 16 14.663 -5.051 -7.412 1.00 0.00 C ATOM 748 C ILE B 16 15.519 -4.833 -6.196 1.00 0.00 C ATOM 749 O ILE B 16 16.403 -5.621 -5.858 1.00 0.00 O ATOM 750 CB ILE B 16 15.006 -4.001 -8.421 1.00 0.00 C ATOM 751 CG1 ILE B 16 14.417 -4.346 -9.782 1.00 0.00 C ATOM 752 CG2 ILE B 16 16.495 -3.909 -8.452 1.00 0.00 C ATOM 753 CD1 ILE B 16 13.633 -5.644 -9.879 1.00 0.00 C ATOM 0 H ILE B 16 12.808 -4.149 -7.462 1.00 0.00 H new ATOM 0 HA ILE B 16 14.835 -6.040 -7.837 1.00 0.00 H new ATOM 0 HB ILE B 16 14.580 -3.034 -8.153 1.00 0.00 H new ATOM 0 HG12 ILE B 16 13.762 -3.530 -10.086 1.00 0.00 H new ATOM 0 HG13 ILE B 16 15.232 -4.386 -10.505 1.00 0.00 H new ATOM 0 HG21 ILE B 16 16.798 -3.153 -9.176 1.00 0.00 H new ATOM 0 HG22 ILE B 16 16.863 -3.633 -7.464 1.00 0.00 H new ATOM 0 HG23 ILE B 16 16.913 -4.874 -8.738 1.00 0.00 H new ATOM 0 HD11 ILE B 16 13.267 -5.773 -10.898 1.00 0.00 H new ATOM 0 HD12 ILE B 16 14.281 -6.481 -9.617 1.00 0.00 H new ATOM 0 HD13 ILE B 16 12.788 -5.611 -9.192 1.00 0.00 H new ATOM 765 N THR B 17 15.204 -3.731 -5.551 1.00 0.00 N ATOM 766 CA THR B 17 15.860 -3.306 -4.358 1.00 0.00 C ATOM 767 C THR B 17 14.992 -3.608 -3.163 1.00 0.00 C ATOM 768 O THR B 17 15.172 -3.037 -2.084 1.00 0.00 O ATOM 769 CB THR B 17 16.170 -1.836 -4.515 1.00 0.00 C ATOM 770 OG1 THR B 17 15.017 -1.041 -4.310 1.00 0.00 O ATOM 771 CG2 THR B 17 16.708 -1.593 -5.897 1.00 0.00 C ATOM 0 H THR B 17 14.465 -3.098 -5.858 1.00 0.00 H new ATOM 0 HA THR B 17 16.795 -3.841 -4.192 1.00 0.00 H new ATOM 0 HB THR B 17 16.910 -1.557 -3.765 1.00 0.00 H new ATOM 0 HG1 THR B 17 14.707 -0.686 -5.169 1.00 0.00 H new ATOM 0 HG21 THR B 17 16.934 -0.534 -6.018 1.00 0.00 H new ATOM 0 HG22 THR B 17 17.617 -2.177 -6.042 1.00 0.00 H new ATOM 0 HG23 THR B 17 15.964 -1.892 -6.635 1.00 0.00 H new ATOM 779 N GLY B 18 13.996 -4.476 -3.423 1.00 0.00 N ATOM 780 CA GLY B 18 12.973 -4.831 -2.448 1.00 0.00 C ATOM 781 C GLY B 18 12.619 -3.653 -1.563 1.00 0.00 C ATOM 782 O GLY B 18 12.223 -3.807 -0.407 1.00 0.00 O ATOM 0 H GLY B 18 13.887 -4.947 -4.321 1.00 0.00 H new ATOM 0 HA2 GLY B 18 12.080 -5.180 -2.966 1.00 0.00 H new ATOM 0 HA3 GLY B 18 13.327 -5.657 -1.832 1.00 0.00 H new ATOM 786 N LYS B 19 12.809 -2.467 -2.132 1.00 0.00 N ATOM 787 CA LYS B 19 12.561 -1.210 -1.464 1.00 0.00 C ATOM 788 C LYS B 19 11.096 -0.916 -1.284 1.00 0.00 C ATOM 789 O LYS B 19 10.249 -1.435 -2.001 1.00 0.00 O ATOM 790 CB LYS B 19 13.145 -0.086 -2.274 1.00 0.00 C ATOM 791 CG LYS B 19 14.508 0.323 -1.818 1.00 0.00 C ATOM 792 CD LYS B 19 14.961 1.614 -2.480 1.00 0.00 C ATOM 793 CE LYS B 19 15.880 2.414 -1.570 1.00 0.00 C ATOM 794 NZ LYS B 19 17.216 2.642 -2.187 1.00 0.00 N ATOM 0 H LYS B 19 13.146 -2.359 -3.089 1.00 0.00 H new ATOM 0 HA LYS B 19 13.022 -1.291 -0.480 1.00 0.00 H new ATOM 0 HB2 LYS B 19 13.195 -0.388 -3.320 1.00 0.00 H new ATOM 0 HB3 LYS B 19 12.478 0.775 -2.222 1.00 0.00 H new ATOM 0 HG2 LYS B 19 14.506 0.451 -0.736 1.00 0.00 H new ATOM 0 HG3 LYS B 19 15.220 -0.471 -2.044 1.00 0.00 H new ATOM 0 HD2 LYS B 19 15.479 1.384 -3.411 1.00 0.00 H new ATOM 0 HD3 LYS B 19 14.090 2.216 -2.740 1.00 0.00 H new ATOM 0 HE2 LYS B 19 15.418 3.374 -1.341 1.00 0.00 H new ATOM 0 HE3 LYS B 19 16.003 1.886 -0.624 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 17.811 3.191 -1.534 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 17.669 1.726 -2.382 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 17.102 3.168 -3.077 1.00 0.00 H new ATOM 808 N ARG B 20 10.823 -0.034 -0.343 1.00 0.00 N ATOM 809 CA ARG B 20 9.475 0.401 -0.084 1.00 0.00 C ATOM 810 C ARG B 20 9.403 1.873 0.221 1.00 0.00 C ATOM 811 O ARG B 20 10.199 2.417 0.990 1.00 0.00 O ATOM 812 CB ARG B 20 8.845 -0.368 1.047 1.00 0.00 C ATOM 813 CG ARG B 20 9.408 -0.038 2.424 1.00 0.00 C ATOM 814 CD ARG B 20 8.399 0.720 3.276 1.00 0.00 C ATOM 815 NE ARG B 20 8.291 0.162 4.624 1.00 0.00 N ATOM 816 CZ ARG B 20 7.511 -0.873 4.949 1.00 0.00 C ATOM 817 NH1 ARG B 20 6.755 -1.470 4.028 1.00 0.00 N ATOM 818 NH2 ARG B 20 7.487 -1.314 6.202 1.00 0.00 N ATOM 0 H ARG B 20 11.527 0.396 0.257 1.00 0.00 H new ATOM 0 HA ARG B 20 8.918 0.205 -1.001 1.00 0.00 H new ATOM 0 HB2 ARG B 20 7.773 -0.172 1.050 1.00 0.00 H new ATOM 0 HB3 ARG B 20 8.974 -1.434 0.861 1.00 0.00 H new ATOM 0 HG2 ARG B 20 9.694 -0.960 2.931 1.00 0.00 H new ATOM 0 HG3 ARG B 20 10.313 0.559 2.314 1.00 0.00 H new ATOM 0 HD2 ARG B 20 8.693 1.768 3.340 1.00 0.00 H new ATOM 0 HD3 ARG B 20 7.422 0.692 2.793 1.00 0.00 H new ATOM 0 HE ARG B 20 8.847 0.591 5.364 1.00 0.00 H new ATOM 0 HH11 ARG B 20 6.768 -1.138 3.064 1.00 0.00 H new ATOM 0 HH12 ARG B 20 6.163 -2.259 4.287 1.00 0.00 H new ATOM 0 HH21 ARG B 20 8.063 -0.863 6.913 1.00 0.00 H new ATOM 0 HH22 ARG B 20 6.893 -2.104 6.453 1.00 0.00 H new ATOM 832 N GLN B 21 8.428 2.504 -0.392 1.00 0.00 N ATOM 833 CA GLN B 21 8.200 3.913 -0.211 1.00 0.00 C ATOM 834 C GLN B 21 6.749 4.221 -0.490 1.00 0.00 C ATOM 835 O GLN B 21 6.175 3.653 -1.407 1.00 0.00 O ATOM 836 CB GLN B 21 9.060 4.716 -1.158 1.00 0.00 C ATOM 837 CG GLN B 21 9.866 3.873 -2.104 1.00 0.00 C ATOM 838 CD GLN B 21 10.917 4.651 -2.847 1.00 0.00 C ATOM 839 OE1 GLN B 21 10.486 5.508 -3.746 1.00 0.00 O flip ATOM 840 NE2 GLN B 21 12.113 4.482 -2.611 1.00 0.00 N flip ATOM 0 H GLN B 21 7.772 2.052 -1.029 1.00 0.00 H new ATOM 0 HA GLN B 21 8.455 4.179 0.815 1.00 0.00 H new ATOM 0 HB2 GLN B 21 8.422 5.385 -1.735 1.00 0.00 H new ATOM 0 HB3 GLN B 21 9.737 5.343 -0.577 1.00 0.00 H new ATOM 0 HG2 GLN B 21 10.346 3.070 -1.545 1.00 0.00 H new ATOM 0 HG3 GLN B 21 9.195 3.404 -2.823 1.00 0.00 H new ATOM 0 HE21 GLN B 21 12.403 3.806 -1.904 1.00 0.00 H new ATOM 0 HE22 GLN B 21 12.814 5.018 -3.122 1.00 0.00 H new ATOM 849 N PHE B 22 6.161 5.149 0.239 1.00 0.00 N ATOM 850 CA PHE B 22 4.771 5.525 -0.025 1.00 0.00 C ATOM 851 C PHE B 22 4.732 6.495 -1.219 1.00 0.00 C ATOM 852 O PHE B 22 4.032 7.510 -1.200 1.00 0.00 O ATOM 853 CB PHE B 22 4.167 6.193 1.204 1.00 0.00 C ATOM 854 CG PHE B 22 3.897 5.244 2.340 1.00 0.00 C ATOM 855 CD1 PHE B 22 2.898 4.279 2.239 1.00 0.00 C ATOM 856 CD2 PHE B 22 4.642 5.309 3.515 1.00 0.00 C ATOM 857 CE1 PHE B 22 2.649 3.405 3.279 1.00 0.00 C ATOM 858 CE2 PHE B 22 4.395 4.436 4.558 1.00 0.00 C ATOM 859 CZ PHE B 22 3.400 3.486 4.437 1.00 0.00 C ATOM 0 H PHE B 22 6.607 5.653 1.006 1.00 0.00 H new ATOM 0 HA PHE B 22 4.191 4.632 -0.257 1.00 0.00 H new ATOM 0 HB2 PHE B 22 4.842 6.976 1.549 1.00 0.00 H new ATOM 0 HB3 PHE B 22 3.234 6.680 0.920 1.00 0.00 H new ATOM 0 HD1 PHE B 22 2.310 4.213 1.335 1.00 0.00 H new ATOM 0 HD2 PHE B 22 5.422 6.050 3.612 1.00 0.00 H new ATOM 0 HE1 PHE B 22 1.871 2.661 3.188 1.00 0.00 H new ATOM 0 HE2 PHE B 22 4.978 4.497 5.465 1.00 0.00 H new ATOM 0 HZ PHE B 22 3.208 2.803 5.251 1.00 0.00 H new ATOM 869 N GLU B 23 5.560 6.195 -2.221 1.00 0.00 N ATOM 870 CA GLU B 23 5.734 7.022 -3.398 1.00 0.00 C ATOM 871 C GLU B 23 5.997 6.243 -4.641 1.00 0.00 C ATOM 872 O GLU B 23 6.593 5.176 -4.596 1.00 0.00 O ATOM 873 CB GLU B 23 6.987 7.867 -3.191 1.00 0.00 C ATOM 874 CG GLU B 23 7.989 7.778 -4.349 1.00 0.00 C ATOM 875 CD GLU B 23 9.280 8.532 -4.085 1.00 0.00 C ATOM 876 OE1 GLU B 23 9.895 8.309 -3.020 1.00 0.00 O ATOM 877 OE2 GLU B 23 9.679 9.343 -4.947 1.00 0.00 O ATOM 0 H GLU B 23 6.135 5.353 -2.229 1.00 0.00 H new ATOM 0 HA GLU B 23 4.811 7.589 -3.518 1.00 0.00 H new ATOM 0 HB2 GLU B 23 6.694 8.908 -3.055 1.00 0.00 H new ATOM 0 HB3 GLU B 23 7.479 7.552 -2.271 1.00 0.00 H new ATOM 0 HG2 GLU B 23 8.221 6.730 -4.540 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.525 8.172 -5.253 1.00 0.00 H new ATOM 884 N ARG B 24 5.696 6.905 -5.748 1.00 0.00 N ATOM 885 CA ARG B 24 6.037 6.421 -7.045 1.00 0.00 C ATOM 886 C ARG B 24 7.349 7.137 -7.370 1.00 0.00 C ATOM 887 O ARG B 24 7.391 8.338 -7.643 1.00 0.00 O ATOM 888 CB ARG B 24 4.931 6.690 -8.030 1.00 0.00 C ATOM 889 CG ARG B 24 5.257 6.173 -9.392 1.00 0.00 C ATOM 890 CD ARG B 24 4.330 6.760 -10.429 1.00 0.00 C ATOM 891 NE ARG B 24 4.936 6.788 -11.748 1.00 0.00 N ATOM 892 CZ ARG B 24 5.771 7.743 -12.173 1.00 0.00 C ATOM 893 NH1 ARG B 24 6.107 8.752 -11.372 1.00 0.00 N ATOM 894 NH2 ARG B 24 6.278 7.689 -13.401 1.00 0.00 N ATOM 0 H ARG B 24 5.204 7.799 -5.754 1.00 0.00 H new ATOM 0 HA ARG B 24 6.164 5.339 -7.092 1.00 0.00 H new ATOM 0 HB2 ARG B 24 4.010 6.226 -7.677 1.00 0.00 H new ATOM 0 HB3 ARG B 24 4.747 7.763 -8.084 1.00 0.00 H new ATOM 0 HG2 ARG B 24 6.289 6.419 -9.641 1.00 0.00 H new ATOM 0 HG3 ARG B 24 5.177 5.086 -9.401 1.00 0.00 H new ATOM 0 HD2 ARG B 24 3.410 6.176 -10.465 1.00 0.00 H new ATOM 0 HD3 ARG B 24 4.053 7.773 -10.136 1.00 0.00 H new ATOM 0 HE ARG B 24 4.710 6.030 -12.393 1.00 0.00 H new ATOM 0 HH11 ARG B 24 5.727 8.801 -10.427 1.00 0.00 H new ATOM 0 HH12 ARG B 24 6.744 9.476 -11.704 1.00 0.00 H new ATOM 0 HH21 ARG B 24 6.031 6.918 -14.021 1.00 0.00 H new ATOM 0 HH22 ARG B 24 6.914 8.418 -13.723 1.00 0.00 H new ATOM 908 N PRO B 25 8.435 6.378 -7.229 1.00 0.00 N ATOM 909 CA PRO B 25 9.822 6.838 -7.373 1.00 0.00 C ATOM 910 C PRO B 25 10.104 7.659 -8.610 1.00 0.00 C ATOM 911 O PRO B 25 9.436 7.544 -9.640 1.00 0.00 O ATOM 912 CB PRO B 25 10.642 5.575 -7.305 1.00 0.00 C ATOM 913 CG PRO B 25 9.759 4.570 -6.655 1.00 0.00 C ATOM 914 CD PRO B 25 8.353 4.982 -6.857 1.00 0.00 C ATOM 0 HA PRO B 25 10.072 7.548 -6.584 1.00 0.00 H new ATOM 0 HB2 PRO B 25 10.945 5.248 -8.300 1.00 0.00 H new ATOM 0 HB3 PRO B 25 11.554 5.729 -6.729 1.00 0.00 H new ATOM 0 HG2 PRO B 25 9.930 3.582 -7.083 1.00 0.00 H new ATOM 0 HG3 PRO B 25 9.984 4.499 -5.591 1.00 0.00 H new ATOM 0 HD2 PRO B 25 7.874 4.391 -7.637 1.00 0.00 H new ATOM 0 HD3 PRO B 25 7.765 4.847 -5.949 1.00 0.00 H new ATOM 922 N SER B 26 11.105 8.516 -8.437 1.00 0.00 N ATOM 923 CA SER B 26 11.583 9.460 -9.444 1.00 0.00 C ATOM 924 C SER B 26 11.415 8.969 -10.836 1.00 0.00 C ATOM 925 O SER B 26 10.978 9.700 -11.728 1.00 0.00 O ATOM 926 CB SER B 26 13.039 9.753 -9.203 1.00 0.00 C ATOM 927 OG SER B 26 13.576 10.608 -10.200 1.00 0.00 O ATOM 0 H SER B 26 11.625 8.575 -7.561 1.00 0.00 H new ATOM 0 HA SER B 26 10.976 10.360 -9.343 1.00 0.00 H new ATOM 0 HB2 SER B 26 13.159 10.216 -8.224 1.00 0.00 H new ATOM 0 HB3 SER B 26 13.600 8.819 -9.185 1.00 0.00 H new ATOM 0 HG SER B 26 14.522 10.778 -10.010 1.00 0.00 H new ATOM 933 N ASP B 27 11.738 7.721 -10.988 1.00 0.00 N ATOM 934 CA ASP B 27 11.611 7.046 -12.252 1.00 0.00 C ATOM 935 C ASP B 27 12.640 7.513 -13.291 1.00 0.00 C ATOM 936 O ASP B 27 12.966 8.720 -13.321 1.00 0.00 O ATOM 937 CB ASP B 27 10.192 7.265 -12.700 1.00 0.00 C ATOM 938 CG ASP B 27 10.047 7.720 -14.142 1.00 0.00 C ATOM 939 OD1 ASP B 27 10.011 6.849 -15.037 1.00 0.00 O ATOM 940 OD2 ASP B 27 9.969 8.944 -14.375 1.00 0.00 O ATOM 941 OXT ASP B 27 13.111 6.659 -14.071 1.00 0.00 O ATOM 0 H ASP B 27 12.100 7.135 -10.236 1.00 0.00 H new ATOM 0 HA ASP B 27 11.825 5.983 -12.141 1.00 0.00 H new ATOM 0 HB2 ASP B 27 9.636 6.337 -12.568 1.00 0.00 H new ATOM 0 HB3 ASP B 27 9.730 8.008 -12.050 1.00 0.00 H new