USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 840 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: A 122 GLN : amide:sc= 1.81 K(o=3.1,f=1.2) USER MOD Set 1.2: A 123 TYR OH : rot 130:sc= 1.29 USER MOD Set 2.1: A 102 LYS NZ :NH3+ -161:sc= 0.0439 (180deg=-0.304) USER MOD Set 2.2: A 104 TYR OH : rot 15:sc= 0.086 USER MOD Set 3.1: A 77 SER OG : rot 180:sc= 0.161 USER MOD Set 3.2: A 97 LYS NZ :NH3+ 172:sc= 0.166 (180deg=0) USER MOD Set 4.1: A 26 SER OG : rot -63:sc= 1.79 USER MOD Set 4.2: A 93 TYR OH : rot 47:sc= 1.18 USER MOD Set 5.1: A 19 SER OG : rot 93:sc= 1.3 USER MOD Set 5.2: A 21 ASN : amide:sc= 1.05 K(o=2.3,f=-1.4) USER MOD Single : A 17 LYS NZ :NH3+ 165:sc= -2.65 (180deg=-4.06!) USER MOD Single : A 20 SER OG : rot 43:sc= 0.13 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -137:sc= -0.127 (180deg=-1.17) USER MOD Single : A 38 TYR OH : rot 100:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0307) USER MOD Single : A 46 TYR OH : rot 180:sc= 0.542 USER MOD Single : A 48 CYS SG : rot -75:sc= 0.851 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 CYS SG : rot -65:sc= -1.27 USER MOD Single : A 65 THR OG1 : rot 64:sc= 0.165 USER MOD Single : A 68 THR OG1 : rot 30:sc= 0.906 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= -2.54 K(o=-2.5,f=-0.81) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 43:sc= 0.0118 USER MOD Single : A 100 GLN : amide:sc= 0.926 K(o=0.93,f=0) USER MOD Single : A 105 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0242) USER MOD Single : A 107 MET CE :methyl -176:sc= 0 (180deg=-0.0115) USER MOD Single : A 112 SER OG : rot 25:sc= 1.32 USER MOD Single : A 115 GLN : amide:sc= -3.78! C(o=-3.8!,f=-4.5!) USER MOD Single : A 117 ASN : amide:sc= -0.237 K(o=-0.24,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 62 N GLY A 11 -12.560 8.288 -2.417 1.00 0.00 N ATOM 63 CA GLY A 11 -12.279 7.382 -3.519 1.00 0.00 C ATOM 64 C GLY A 11 -10.795 7.335 -3.773 1.00 0.00 C ATOM 65 O GLY A 11 -10.355 7.250 -4.916 1.00 0.00 O ATOM 0 HA2 GLY A 11 -12.649 6.384 -3.285 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -12.801 7.713 -4.417 1.00 0.00 H new ATOM 69 N LEU A 12 -9.963 7.358 -2.692 1.00 0.00 N ATOM 70 CA LEU A 12 -8.498 7.241 -2.737 1.00 0.00 C ATOM 71 C LEU A 12 -8.112 5.757 -2.475 1.00 0.00 C ATOM 72 O LEU A 12 -8.914 4.906 -2.072 1.00 0.00 O ATOM 73 CB LEU A 12 -7.784 8.408 -1.928 1.00 0.00 C ATOM 74 CG LEU A 12 -6.314 8.310 -1.463 1.00 0.00 C ATOM 75 CD1 LEU A 12 -6.366 7.477 -0.171 1.00 0.00 C ATOM 76 CD2 LEU A 12 -5.248 8.113 -2.559 1.00 0.00 C ATOM 0 H LEU A 12 -10.317 7.462 -1.741 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.081 7.437 -3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.859 9.306 -2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.384 8.582 -1.035 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.853 9.260 -1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.358 7.359 0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.989 7.985 0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.787 6.495 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.260 8.060 -2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.448 7.187 -3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.281 8.952 -3.254 1.00 0.00 H new ATOM 88 N ARG A 13 -6.827 5.421 -2.752 1.00 0.00 N ATOM 89 CA ARG A 13 -6.174 4.117 -2.676 1.00 0.00 C ATOM 90 C ARG A 13 -5.223 4.259 -1.518 1.00 0.00 C ATOM 91 O ARG A 13 -4.411 5.181 -1.495 1.00 0.00 O ATOM 92 CB ARG A 13 -5.413 3.811 -4.008 1.00 0.00 C ATOM 93 CG ARG A 13 -4.338 2.692 -3.990 1.00 0.00 C ATOM 94 CD ARG A 13 -4.846 1.274 -3.668 1.00 0.00 C ATOM 95 NE ARG A 13 -5.588 0.706 -4.852 1.00 0.00 N ATOM 96 CZ ARG A 13 -4.984 0.017 -5.872 1.00 0.00 C ATOM 97 NH1 ARG A 13 -3.633 -0.177 -5.889 1.00 0.00 N ATOM 98 NH2 ARG A 13 -5.747 -0.483 -6.888 1.00 0.00 N ATOM 0 H ARG A 13 -6.170 6.136 -3.063 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.873 3.292 -2.536 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.154 3.551 -4.764 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.932 4.732 -4.337 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.849 2.669 -4.964 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.576 2.959 -3.257 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.006 0.628 -3.412 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.502 1.304 -2.798 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.598 0.842 -4.896 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.055 0.193 -5.134 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.201 -0.692 -6.656 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.757 -0.343 -6.884 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.307 -0.997 -7.651 1.00 0.00 H new ATOM 112 N VAL A 14 -5.303 3.394 -0.476 1.00 0.00 N ATOM 113 CA VAL A 14 -4.463 3.537 0.708 1.00 0.00 C ATOM 114 C VAL A 14 -3.390 2.485 0.787 1.00 0.00 C ATOM 115 O VAL A 14 -3.313 1.498 0.057 1.00 0.00 O ATOM 116 CB VAL A 14 -5.162 3.806 2.063 1.00 0.00 C ATOM 117 CG1 VAL A 14 -6.125 4.981 1.924 1.00 0.00 C ATOM 118 CG2 VAL A 14 -5.939 2.637 2.657 1.00 0.00 C ATOM 0 H VAL A 14 -5.941 2.599 -0.445 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.979 4.497 0.529 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.340 4.009 2.750 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.614 5.166 2.880 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.572 5.870 1.621 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -6.878 4.748 1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.385 2.940 3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.725 2.334 1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.263 1.799 2.827 1.00 0.00 H new ATOM 128 N VAL A 15 -2.463 2.722 1.718 1.00 0.00 N ATOM 129 CA VAL A 15 -1.311 1.917 2.047 1.00 0.00 C ATOM 130 C VAL A 15 -1.502 1.673 3.511 1.00 0.00 C ATOM 131 O VAL A 15 -1.706 2.633 4.248 1.00 0.00 O ATOM 132 CB VAL A 15 -0.047 2.657 1.674 1.00 0.00 C ATOM 133 CG1 VAL A 15 0.269 3.884 2.552 1.00 0.00 C ATOM 134 CG2 VAL A 15 1.088 1.631 1.560 1.00 0.00 C ATOM 0 H VAL A 15 -2.514 3.555 2.304 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.216 0.973 1.510 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.189 3.131 0.703 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.193 4.349 2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.547 4.603 2.480 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.385 3.569 3.589 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.013 2.140 1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.218 1.124 2.516 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.841 0.899 0.792 1.00 0.00 H new ATOM 144 N ALA A 16 -1.559 0.387 3.924 1.00 0.00 N ATOM 145 CA ALA A 16 -2.037 -0.032 5.210 1.00 0.00 C ATOM 146 C ALA A 16 -0.926 -0.559 6.096 1.00 0.00 C ATOM 147 O ALA A 16 -0.403 -1.626 5.824 1.00 0.00 O ATOM 148 CB ALA A 16 -3.096 -1.112 4.886 1.00 0.00 C ATOM 0 H ALA A 16 -1.259 -0.391 3.336 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.456 0.796 5.782 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.521 -1.495 5.814 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.888 -0.674 4.278 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.627 -1.929 4.338 1.00 0.00 H new ATOM 154 N LYS A 17 -0.501 0.181 7.158 1.00 0.00 N ATOM 155 CA LYS A 17 0.627 -0.118 8.046 1.00 0.00 C ATOM 156 C LYS A 17 0.177 0.170 9.477 1.00 0.00 C ATOM 157 O LYS A 17 0.314 1.297 9.937 1.00 0.00 O ATOM 158 CB LYS A 17 1.817 0.864 7.725 1.00 0.00 C ATOM 159 CG LYS A 17 2.131 0.994 6.228 1.00 0.00 C ATOM 160 CD LYS A 17 1.425 2.163 5.570 1.00 0.00 C ATOM 161 CE LYS A 17 1.986 3.478 6.067 1.00 0.00 C ATOM 162 NZ LYS A 17 1.068 4.599 5.778 1.00 0.00 N ATOM 0 H LYS A 17 -0.971 1.047 7.420 1.00 0.00 H new ATOM 0 HA LYS A 17 0.942 -1.153 7.916 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.578 1.850 8.123 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.711 0.518 8.245 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.207 1.107 6.097 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.844 0.072 5.722 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.538 2.100 4.488 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.357 2.115 5.782 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.162 3.418 7.141 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.951 3.665 5.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.345 5.429 6.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.116 4.835 4.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.096 4.324 6.024 1.00 0.00 H new ATOM 176 N TRP A 18 -0.402 -0.773 10.264 1.00 0.00 N ATOM 177 CA TRP A 18 -0.985 -0.420 11.573 1.00 0.00 C ATOM 178 C TRP A 18 -0.025 -0.235 12.755 1.00 0.00 C ATOM 179 O TRP A 18 -0.209 0.660 13.579 1.00 0.00 O ATOM 180 CB TRP A 18 -2.142 -1.392 11.893 1.00 0.00 C ATOM 181 CG TRP A 18 -3.150 -1.116 13.006 1.00 0.00 C ATOM 182 CD1 TRP A 18 -3.877 -2.109 13.589 1.00 0.00 C ATOM 183 CD2 TRP A 18 -3.715 0.134 13.488 1.00 0.00 C ATOM 184 NE1 TRP A 18 -4.873 -1.577 14.357 1.00 0.00 N ATOM 185 CE2 TRP A 18 -4.806 -0.209 14.296 1.00 0.00 C ATOM 186 CE3 TRP A 18 -3.399 1.456 13.267 1.00 0.00 C ATOM 187 CZ2 TRP A 18 -5.621 0.737 14.845 1.00 0.00 C ATOM 188 CZ3 TRP A 18 -4.229 2.406 13.828 1.00 0.00 C ATOM 189 CH2 TRP A 18 -5.336 2.056 14.579 1.00 0.00 C ATOM 0 H TRP A 18 -0.475 -1.760 10.018 1.00 0.00 H new ATOM 0 HA TRP A 18 -1.355 0.598 11.449 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.715 -1.511 10.973 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -1.688 -2.358 12.113 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.692 -3.166 13.462 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.558 -2.112 14.891 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.538 1.738 12.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -6.460 0.460 15.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -4.007 3.452 13.676 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -5.986 2.829 14.962 1.00 0.00 H new ATOM 200 N SER A 19 1.040 -1.067 12.874 1.00 0.00 N ATOM 201 CA SER A 19 2.063 -0.929 13.910 1.00 0.00 C ATOM 202 C SER A 19 3.272 -0.358 13.207 1.00 0.00 C ATOM 203 O SER A 19 3.573 -0.765 12.082 1.00 0.00 O ATOM 204 CB SER A 19 2.409 -2.265 14.650 1.00 0.00 C ATOM 205 OG SER A 19 2.822 -3.331 13.787 1.00 0.00 O ATOM 0 H SER A 19 1.203 -1.853 12.244 1.00 0.00 H new ATOM 0 HA SER A 19 1.697 -0.282 14.707 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.202 -2.071 15.372 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.535 -2.590 15.215 1.00 0.00 H new ATOM 0 HG SER A 19 3.799 -3.327 13.706 1.00 0.00 H new ATOM 211 N SER A 20 4.030 0.608 13.807 1.00 0.00 N ATOM 212 CA SER A 20 5.170 1.160 13.072 1.00 0.00 C ATOM 213 C SER A 20 6.407 0.260 13.190 1.00 0.00 C ATOM 214 O SER A 20 7.090 0.211 14.209 1.00 0.00 O ATOM 215 CB SER A 20 5.476 2.591 13.613 1.00 0.00 C ATOM 216 OG SER A 20 5.597 2.616 15.037 1.00 0.00 O ATOM 0 H SER A 20 3.874 0.990 14.740 1.00 0.00 H new ATOM 0 HA SER A 20 4.914 1.213 12.014 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.400 2.957 13.165 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.682 3.271 13.306 1.00 0.00 H new ATOM 0 HG SER A 20 6.127 1.847 15.334 1.00 0.00 H new ATOM 222 N ASN A 21 6.697 -0.423 12.066 1.00 0.00 N ATOM 223 CA ASN A 21 7.760 -1.395 11.883 1.00 0.00 C ATOM 224 C ASN A 21 8.578 -1.070 10.672 1.00 0.00 C ATOM 225 O ASN A 21 9.728 -1.474 10.535 1.00 0.00 O ATOM 226 CB ASN A 21 7.127 -2.783 11.553 1.00 0.00 C ATOM 227 CG ASN A 21 6.477 -3.434 12.772 1.00 0.00 C ATOM 228 OD1 ASN A 21 5.349 -3.110 13.156 1.00 0.00 O ATOM 229 ND2 ASN A 21 7.190 -4.432 13.352 1.00 0.00 N ATOM 0 H ASN A 21 6.152 -0.292 11.214 1.00 0.00 H new ATOM 0 HA ASN A 21 8.361 -1.392 12.792 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.380 -2.661 10.769 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.897 -3.446 11.159 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.797 -4.949 14.139 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.119 -4.666 13.001 1.00 0.00 H new ATOM 236 N GLY A 22 7.920 -0.450 9.671 1.00 0.00 N ATOM 237 CA GLY A 22 8.436 -0.383 8.320 1.00 0.00 C ATOM 238 C GLY A 22 7.847 -1.441 7.425 1.00 0.00 C ATOM 239 O GLY A 22 8.558 -2.003 6.595 1.00 0.00 O ATOM 0 H GLY A 22 7.019 0.012 9.793 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.224 0.601 7.902 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.520 -0.493 8.343 1.00 0.00 H new ATOM 243 N TYR A 23 6.527 -1.724 7.554 1.00 0.00 N ATOM 244 CA TYR A 23 5.778 -2.726 6.803 1.00 0.00 C ATOM 245 C TYR A 23 4.459 -2.148 6.293 1.00 0.00 C ATOM 246 O TYR A 23 3.603 -1.695 7.059 1.00 0.00 O ATOM 247 CB TYR A 23 5.430 -3.779 7.875 1.00 0.00 C ATOM 248 CG TYR A 23 6.555 -4.752 8.192 1.00 0.00 C ATOM 249 CD1 TYR A 23 7.527 -5.113 7.266 1.00 0.00 C ATOM 250 CD2 TYR A 23 6.575 -5.387 9.425 1.00 0.00 C ATOM 251 CE1 TYR A 23 8.508 -6.036 7.572 1.00 0.00 C ATOM 252 CE2 TYR A 23 7.558 -6.316 9.733 1.00 0.00 C ATOM 253 CZ TYR A 23 8.529 -6.637 8.808 1.00 0.00 C ATOM 254 OH TYR A 23 9.528 -7.588 9.111 1.00 0.00 O ATOM 0 H TYR A 23 5.939 -1.226 8.222 1.00 0.00 H new ATOM 0 HA TYR A 23 6.340 -3.100 5.947 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.143 -3.264 8.792 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.560 -4.345 7.541 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.515 -4.661 6.285 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.814 -5.155 10.156 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.260 -6.286 6.838 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.563 -6.791 10.703 1.00 0.00 H new ATOM 0 HH TYR A 23 9.401 -7.916 10.026 1.00 0.00 H new ATOM 264 N PHE A 24 4.324 -2.163 4.943 1.00 0.00 N ATOM 265 CA PHE A 24 3.278 -1.537 4.157 1.00 0.00 C ATOM 266 C PHE A 24 2.452 -2.414 3.281 1.00 0.00 C ATOM 267 O PHE A 24 2.896 -2.747 2.184 1.00 0.00 O ATOM 268 CB PHE A 24 3.880 -0.432 3.274 1.00 0.00 C ATOM 269 CG PHE A 24 4.585 0.650 4.026 1.00 0.00 C ATOM 270 CD1 PHE A 24 5.723 0.358 4.755 1.00 0.00 C ATOM 271 CD2 PHE A 24 4.293 1.991 3.825 1.00 0.00 C ATOM 272 CE1 PHE A 24 6.283 1.256 5.594 1.00 0.00 C ATOM 273 CE2 PHE A 24 4.988 2.931 4.570 1.00 0.00 C ATOM 274 CZ PHE A 24 5.853 2.536 5.561 1.00 0.00 C ATOM 0 H PHE A 24 4.998 -2.651 4.353 1.00 0.00 H new ATOM 0 HA PHE A 24 2.592 -1.167 4.919 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.581 -0.886 2.574 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.083 0.016 2.681 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.177 -0.616 4.650 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.545 2.294 3.108 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.061 0.956 6.280 1.00 0.00 H new ATOM 0 HE2 PHE A 24 4.848 3.983 4.369 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.186 3.242 6.307 1.00 0.00 H new ATOM 284 N TYR A 25 1.204 -2.706 3.707 1.00 0.00 N ATOM 285 CA TYR A 25 0.210 -3.527 3.072 1.00 0.00 C ATOM 286 C TYR A 25 -0.690 -2.641 2.220 1.00 0.00 C ATOM 287 O TYR A 25 -0.481 -1.444 2.032 1.00 0.00 O ATOM 288 CB TYR A 25 -0.595 -4.372 4.118 1.00 0.00 C ATOM 289 CG TYR A 25 0.294 -5.137 5.092 1.00 0.00 C ATOM 290 CD1 TYR A 25 0.946 -4.506 6.147 1.00 0.00 C ATOM 291 CD2 TYR A 25 0.421 -6.516 5.008 1.00 0.00 C ATOM 292 CE1 TYR A 25 1.683 -5.205 7.076 1.00 0.00 C ATOM 293 CE2 TYR A 25 1.135 -7.224 5.959 1.00 0.00 C ATOM 294 CZ TYR A 25 1.752 -6.572 7.005 1.00 0.00 C ATOM 295 OH TYR A 25 2.425 -7.283 8.017 1.00 0.00 O ATOM 0 H TYR A 25 0.858 -2.326 4.588 1.00 0.00 H new ATOM 0 HA TYR A 25 0.698 -4.253 2.422 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.252 -3.709 4.681 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.234 -5.079 3.589 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.871 -3.433 6.240 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -0.044 -7.044 4.189 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.206 -4.677 7.860 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.210 -8.299 5.881 1.00 0.00 H new ATOM 0 HH TYR A 25 2.385 -8.243 7.824 1.00 0.00 H new ATOM 305 N SER A 26 -1.703 -3.264 1.620 1.00 0.00 N ATOM 306 CA SER A 26 -2.625 -2.674 0.680 1.00 0.00 C ATOM 307 C SER A 26 -3.978 -2.433 1.322 1.00 0.00 C ATOM 308 O SER A 26 -4.540 -3.268 2.037 1.00 0.00 O ATOM 309 CB SER A 26 -2.728 -3.708 -0.448 1.00 0.00 C ATOM 310 OG SER A 26 -3.553 -3.359 -1.569 1.00 0.00 O ATOM 0 H SER A 26 -1.904 -4.249 1.794 1.00 0.00 H new ATOM 0 HA SER A 26 -2.288 -1.701 0.323 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.722 -3.911 -0.816 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.106 -4.638 -0.024 1.00 0.00 H new ATOM 0 HG SER A 26 -4.482 -3.259 -1.273 1.00 0.00 H new ATOM 316 N GLY A 27 -4.513 -1.232 1.052 1.00 0.00 N ATOM 317 CA GLY A 27 -5.731 -0.706 1.619 1.00 0.00 C ATOM 318 C GLY A 27 -6.580 0.006 0.614 1.00 0.00 C ATOM 319 O GLY A 27 -6.155 0.342 -0.490 1.00 0.00 O ATOM 0 H GLY A 27 -4.075 -0.582 0.399 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.304 -1.523 2.058 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.482 -0.020 2.429 1.00 0.00 H new ATOM 323 N LYS A 28 -7.851 0.240 1.008 1.00 0.00 N ATOM 324 CA LYS A 28 -8.857 0.995 0.235 1.00 0.00 C ATOM 325 C LYS A 28 -9.556 2.053 1.097 1.00 0.00 C ATOM 326 O LYS A 28 -9.803 1.799 2.272 1.00 0.00 O ATOM 327 CB LYS A 28 -9.863 0.068 -0.482 1.00 0.00 C ATOM 328 CG LYS A 28 -10.485 -1.016 0.413 1.00 0.00 C ATOM 329 CD LYS A 28 -11.390 -1.968 -0.378 1.00 0.00 C ATOM 330 CE LYS A 28 -12.108 -3.003 0.494 1.00 0.00 C ATOM 331 NZ LYS A 28 -12.927 -3.921 -0.331 1.00 0.00 N ATOM 0 H LYS A 28 -8.214 -0.102 1.898 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.319 1.527 -0.550 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.663 0.678 -0.901 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.359 -0.416 -1.319 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.691 -1.587 0.894 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.063 -0.543 1.206 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.134 -1.383 -0.918 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.790 -2.489 -1.125 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.375 -3.576 1.062 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.745 -2.494 1.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.402 -4.611 0.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.641 -3.374 -0.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.314 -4.423 -1.005 1.00 0.00 H new ATOM 345 N ILE A 29 -9.913 3.293 0.608 1.00 0.00 N ATOM 346 CA ILE A 29 -10.530 4.294 1.487 1.00 0.00 C ATOM 347 C ILE A 29 -12.051 4.428 1.334 1.00 0.00 C ATOM 348 O ILE A 29 -12.629 4.157 0.281 1.00 0.00 O ATOM 349 CB ILE A 29 -9.812 5.627 1.296 1.00 0.00 C ATOM 350 CG1 ILE A 29 -9.710 6.458 2.590 1.00 0.00 C ATOM 351 CG2 ILE A 29 -10.448 6.436 0.162 1.00 0.00 C ATOM 352 CD1 ILE A 29 -8.744 7.635 2.471 1.00 0.00 C ATOM 0 H ILE A 29 -9.781 3.593 -0.358 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.405 3.947 2.513 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.787 5.384 1.016 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.699 6.833 2.853 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -9.387 5.811 3.406 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.917 7.381 0.047 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.387 5.870 -0.768 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -11.494 6.633 0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -8.717 8.180 3.414 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.746 7.264 2.237 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.079 8.302 1.676 1.00 0.00 H new ATOM 364 N THR A 30 -12.726 4.904 2.411 1.00 0.00 N ATOM 365 CA THR A 30 -14.168 5.169 2.442 1.00 0.00 C ATOM 366 C THR A 30 -14.429 6.670 2.547 1.00 0.00 C ATOM 367 O THR A 30 -15.315 7.193 1.873 1.00 0.00 O ATOM 368 CB THR A 30 -14.931 4.422 3.553 1.00 0.00 C ATOM 369 OG1 THR A 30 -14.584 3.043 3.589 1.00 0.00 O ATOM 370 CG2 THR A 30 -16.457 4.482 3.335 1.00 0.00 C ATOM 0 H THR A 30 -12.264 5.115 3.295 1.00 0.00 H new ATOM 0 HA THR A 30 -14.557 4.780 1.501 1.00 0.00 H new ATOM 0 HB THR A 30 -14.653 4.917 4.483 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.084 2.599 4.305 1.00 0.00 H new ATOM 0 HG21 THR A 30 -16.961 3.944 4.138 1.00 0.00 H new ATOM 0 HG22 THR A 30 -16.784 5.522 3.334 1.00 0.00 H new ATOM 0 HG23 THR A 30 -16.706 4.022 2.379 1.00 0.00 H new ATOM 378 N ARG A 31 -13.684 7.413 3.425 1.00 0.00 N ATOM 379 CA ARG A 31 -13.911 8.838 3.646 1.00 0.00 C ATOM 380 C ARG A 31 -12.576 9.371 4.153 1.00 0.00 C ATOM 381 O ARG A 31 -11.691 8.591 4.498 1.00 0.00 O ATOM 382 CB ARG A 31 -14.969 9.148 4.764 1.00 0.00 C ATOM 383 CG ARG A 31 -16.398 8.606 4.558 1.00 0.00 C ATOM 384 CD ARG A 31 -17.334 8.956 5.726 1.00 0.00 C ATOM 385 NE ARG A 31 -17.547 10.446 5.750 1.00 0.00 N ATOM 386 CZ ARG A 31 -18.243 11.088 6.740 1.00 0.00 C ATOM 387 NH1 ARG A 31 -18.802 10.389 7.770 1.00 0.00 N ATOM 388 NH2 ARG A 31 -18.377 12.446 6.694 1.00 0.00 N ATOM 0 H ARG A 31 -12.923 7.025 3.983 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.281 9.282 2.722 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.590 8.750 5.706 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -15.032 10.230 4.877 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -16.808 9.013 3.634 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -16.359 7.523 4.440 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -18.288 8.441 5.612 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -16.901 8.622 6.669 1.00 0.00 H new ATOM 0 HE ARG A 31 -17.154 11.005 4.992 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -18.704 9.374 7.810 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -19.317 10.881 8.500 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -17.961 12.974 5.927 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -18.894 12.933 7.427 1.00 0.00 H new ATOM 402 N ASP A 32 -12.396 10.707 4.296 1.00 0.00 N ATOM 403 CA ASP A 32 -11.223 11.341 4.912 1.00 0.00 C ATOM 404 C ASP A 32 -11.575 11.750 6.355 1.00 0.00 C ATOM 405 O ASP A 32 -12.637 12.329 6.573 1.00 0.00 O ATOM 406 CB ASP A 32 -10.799 12.598 4.087 1.00 0.00 C ATOM 407 CG ASP A 32 -9.450 13.201 4.510 1.00 0.00 C ATOM 408 OD1 ASP A 32 -8.415 12.514 4.320 1.00 0.00 O ATOM 409 OD2 ASP A 32 -9.446 14.352 5.023 1.00 0.00 O ATOM 0 H ASP A 32 -13.087 11.385 3.974 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.390 10.638 4.924 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.749 12.327 3.032 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.572 13.360 4.184 1.00 0.00 H new ATOM 414 N VAL A 33 -10.687 11.475 7.353 1.00 0.00 N ATOM 415 CA VAL A 33 -10.869 11.857 8.755 1.00 0.00 C ATOM 416 C VAL A 33 -9.863 12.969 9.058 1.00 0.00 C ATOM 417 O VAL A 33 -8.672 12.826 8.829 1.00 0.00 O ATOM 418 CB VAL A 33 -10.897 10.695 9.800 1.00 0.00 C ATOM 419 CG1 VAL A 33 -12.362 10.217 9.902 1.00 0.00 C ATOM 420 CG2 VAL A 33 -9.948 9.490 9.538 1.00 0.00 C ATOM 0 H VAL A 33 -9.815 10.973 7.186 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.887 12.227 8.876 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.509 11.107 10.732 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.430 9.403 10.623 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.993 11.044 10.228 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.699 9.866 8.927 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.064 8.755 10.335 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.198 9.031 8.582 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.916 9.839 9.514 1.00 0.00 H new ATOM 430 N GLY A 34 -10.347 14.129 9.579 1.00 0.00 N ATOM 431 CA GLY A 34 -9.661 15.365 10.011 1.00 0.00 C ATOM 432 C GLY A 34 -8.382 15.869 9.353 1.00 0.00 C ATOM 433 O GLY A 34 -8.319 16.118 8.152 1.00 0.00 O ATOM 0 H GLY A 34 -11.353 14.225 9.721 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.391 16.170 9.930 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.438 15.243 11.071 1.00 0.00 H new ATOM 437 N ALA A 35 -7.316 16.060 10.171 1.00 0.00 N ATOM 438 CA ALA A 35 -5.998 16.498 9.744 1.00 0.00 C ATOM 439 C ALA A 35 -5.042 15.335 9.748 1.00 0.00 C ATOM 440 O ALA A 35 -4.634 14.798 10.777 1.00 0.00 O ATOM 441 CB ALA A 35 -5.501 17.611 10.695 1.00 0.00 C ATOM 0 H ALA A 35 -7.371 15.903 11.177 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.053 16.892 8.729 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.512 17.944 10.380 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.194 18.452 10.665 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.446 17.223 11.712 1.00 0.00 H new ATOM 447 N GLY A 36 -4.642 14.949 8.513 1.00 0.00 N ATOM 448 CA GLY A 36 -3.695 13.904 8.196 1.00 0.00 C ATOM 449 C GLY A 36 -4.151 12.498 8.439 1.00 0.00 C ATOM 450 O GLY A 36 -3.310 11.614 8.503 1.00 0.00 O ATOM 0 H GLY A 36 -5.007 15.400 7.674 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.421 13.998 7.145 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.789 14.075 8.778 1.00 0.00 H new ATOM 454 N LYS A 37 -5.471 12.243 8.610 1.00 0.00 N ATOM 455 CA LYS A 37 -6.030 10.922 8.852 1.00 0.00 C ATOM 456 C LYS A 37 -6.893 10.537 7.658 1.00 0.00 C ATOM 457 O LYS A 37 -7.227 11.333 6.779 1.00 0.00 O ATOM 458 CB LYS A 37 -6.644 10.702 10.289 1.00 0.00 C ATOM 459 CG LYS A 37 -6.892 11.910 11.212 1.00 0.00 C ATOM 460 CD LYS A 37 -8.117 11.727 12.113 1.00 0.00 C ATOM 461 CE LYS A 37 -8.119 12.603 13.370 1.00 0.00 C ATOM 462 NZ LYS A 37 -8.132 14.043 13.030 1.00 0.00 N ATOM 0 H LYS A 37 -6.179 12.977 8.580 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.222 10.193 8.908 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.598 10.191 10.159 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.985 10.016 10.822 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.011 12.074 11.833 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.024 12.805 10.604 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.014 11.944 11.533 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.177 10.681 12.414 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.991 12.364 13.979 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.239 12.379 13.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.465 14.551 13.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.851 14.168 12.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.090 14.424 13.169 1.00 0.00 H new ATOM 476 N TYR A 38 -7.245 9.232 7.576 1.00 0.00 N ATOM 477 CA TYR A 38 -7.959 8.590 6.482 1.00 0.00 C ATOM 478 C TYR A 38 -8.903 7.559 7.128 1.00 0.00 C ATOM 479 O TYR A 38 -8.541 6.977 8.160 1.00 0.00 O ATOM 480 CB TYR A 38 -6.891 7.949 5.536 1.00 0.00 C ATOM 481 CG TYR A 38 -6.018 9.037 4.904 1.00 0.00 C ATOM 482 CD1 TYR A 38 -6.502 9.929 3.962 1.00 0.00 C ATOM 483 CD2 TYR A 38 -4.733 9.260 5.375 1.00 0.00 C ATOM 484 CE1 TYR A 38 -5.750 11.019 3.558 1.00 0.00 C ATOM 485 CE2 TYR A 38 -3.950 10.323 4.946 1.00 0.00 C ATOM 486 CZ TYR A 38 -4.489 11.247 4.069 1.00 0.00 C ATOM 487 OH TYR A 38 -3.784 12.428 3.708 1.00 0.00 O ATOM 0 H TYR A 38 -7.018 8.574 8.322 1.00 0.00 H new ATOM 0 HA TYR A 38 -8.557 9.272 5.877 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -6.267 7.254 6.099 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.387 7.372 4.755 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -7.482 9.772 3.536 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.324 8.578 6.106 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.158 11.704 2.829 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.932 10.427 5.293 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.866 13.090 4.426 1.00 0.00 H new ATOM 497 N LYS A 39 -10.163 7.336 6.599 1.00 0.00 N ATOM 498 CA LYS A 39 -11.171 6.388 7.132 1.00 0.00 C ATOM 499 C LYS A 39 -11.191 5.346 6.069 1.00 0.00 C ATOM 500 O LYS A 39 -11.535 5.548 4.898 1.00 0.00 O ATOM 501 CB LYS A 39 -12.560 7.047 7.389 1.00 0.00 C ATOM 502 CG LYS A 39 -13.824 6.182 7.179 1.00 0.00 C ATOM 503 CD LYS A 39 -13.989 4.955 8.093 1.00 0.00 C ATOM 504 CE LYS A 39 -15.179 4.086 7.657 1.00 0.00 C ATOM 505 NZ LYS A 39 -16.465 4.802 7.825 1.00 0.00 N ATOM 0 H LYS A 39 -10.494 7.832 5.771 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.927 5.995 8.119 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.572 7.411 8.416 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.641 7.919 6.740 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.697 6.821 7.308 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.831 5.838 6.145 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.076 4.360 8.074 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.134 5.283 9.122 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.056 3.797 6.613 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.194 3.167 8.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.252 4.159 7.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.554 5.130 8.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.494 5.620 7.183 1.00 0.00 H new ATOM 519 N LEU A 40 -10.645 4.204 6.494 1.00 0.00 N ATOM 520 CA LEU A 40 -10.214 3.205 5.553 1.00 0.00 C ATOM 521 C LEU A 40 -10.599 1.810 5.867 1.00 0.00 C ATOM 522 O LEU A 40 -10.951 1.471 6.985 1.00 0.00 O ATOM 523 CB LEU A 40 -8.684 3.343 5.438 1.00 0.00 C ATOM 524 CG LEU A 40 -7.852 2.778 6.622 1.00 0.00 C ATOM 525 CD1 LEU A 40 -8.422 2.924 8.043 1.00 0.00 C ATOM 526 CD2 LEU A 40 -7.388 1.336 6.311 1.00 0.00 C ATOM 0 H LEU A 40 -10.498 3.963 7.474 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.730 3.393 4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.363 2.843 4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.443 4.400 5.324 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.994 3.448 6.678 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.730 2.483 8.760 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.559 3.981 8.273 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.382 2.412 8.104 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.806 0.952 7.149 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.259 0.700 6.152 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.772 1.338 5.412 1.00 0.00 H new ATOM 538 N LEU A 41 -10.471 0.895 4.901 1.00 0.00 N ATOM 539 CA LEU A 41 -10.518 -0.515 5.171 1.00 0.00 C ATOM 540 C LEU A 41 -9.304 -1.136 4.527 1.00 0.00 C ATOM 541 O LEU A 41 -8.947 -0.746 3.430 1.00 0.00 O ATOM 542 CB LEU A 41 -11.941 -0.884 4.776 1.00 0.00 C ATOM 543 CG LEU A 41 -12.479 -2.279 5.118 1.00 0.00 C ATOM 544 CD1 LEU A 41 -14.016 -2.270 5.092 1.00 0.00 C ATOM 545 CD2 LEU A 41 -11.977 -3.321 4.138 1.00 0.00 C ATOM 0 H LEU A 41 -10.333 1.127 3.917 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.405 -0.895 6.186 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -12.608 -0.154 5.236 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.024 -0.757 3.697 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.121 -2.536 6.115 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -14.390 -3.264 5.336 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -14.388 -1.553 5.824 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -14.361 -1.986 4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -12.377 -4.298 4.409 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.305 -3.061 3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.888 -3.354 4.168 1.00 0.00 H new ATOM 557 N PHE A 42 -8.574 -2.141 5.096 1.00 0.00 N ATOM 558 CA PHE A 42 -7.447 -2.821 4.371 1.00 0.00 C ATOM 559 C PHE A 42 -8.056 -3.697 3.273 1.00 0.00 C ATOM 560 O PHE A 42 -9.217 -4.061 3.387 1.00 0.00 O ATOM 561 CB PHE A 42 -6.578 -3.844 5.221 1.00 0.00 C ATOM 562 CG PHE A 42 -5.685 -3.243 6.287 1.00 0.00 C ATOM 563 CD1 PHE A 42 -6.015 -2.145 7.080 1.00 0.00 C ATOM 564 CD2 PHE A 42 -4.495 -3.905 6.568 1.00 0.00 C ATOM 565 CE1 PHE A 42 -5.168 -1.725 8.085 1.00 0.00 C ATOM 566 CE2 PHE A 42 -3.644 -3.479 7.569 1.00 0.00 C ATOM 567 CZ PHE A 42 -3.975 -2.371 8.315 1.00 0.00 C ATOM 0 H PHE A 42 -8.739 -2.496 6.038 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.803 -2.003 4.049 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.255 -4.551 5.701 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.954 -4.416 4.534 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.942 -1.618 6.906 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.229 -4.776 5.988 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.444 -0.880 8.698 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.725 -4.012 7.765 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.301 -2.010 9.078 1.00 0.00 H new ATOM 577 N ASP A 43 -7.372 -4.144 2.186 1.00 0.00 N ATOM 578 CA ASP A 43 -8.081 -4.954 1.160 1.00 0.00 C ATOM 579 C ASP A 43 -8.517 -6.368 1.620 1.00 0.00 C ATOM 580 O ASP A 43 -9.260 -7.069 0.948 1.00 0.00 O ATOM 581 CB ASP A 43 -7.272 -5.027 -0.161 1.00 0.00 C ATOM 582 CG ASP A 43 -7.389 -3.704 -0.921 1.00 0.00 C ATOM 583 OD1 ASP A 43 -8.508 -3.411 -1.418 1.00 0.00 O ATOM 584 OD2 ASP A 43 -6.366 -2.984 -1.038 1.00 0.00 O ATOM 0 H ASP A 43 -6.384 -3.970 2.002 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.012 -4.415 0.985 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.225 -5.240 0.055 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.642 -5.845 -0.779 1.00 0.00 H new ATOM 589 N ASP A 44 -8.054 -6.746 2.836 1.00 0.00 N ATOM 590 CA ASP A 44 -8.316 -7.953 3.602 1.00 0.00 C ATOM 591 C ASP A 44 -9.419 -7.778 4.669 1.00 0.00 C ATOM 592 O ASP A 44 -9.796 -8.764 5.297 1.00 0.00 O ATOM 593 CB ASP A 44 -6.992 -8.556 4.189 1.00 0.00 C ATOM 594 CG ASP A 44 -6.164 -7.549 5.006 1.00 0.00 C ATOM 595 OD1 ASP A 44 -6.577 -7.215 6.148 1.00 0.00 O ATOM 596 OD2 ASP A 44 -5.099 -7.113 4.491 1.00 0.00 O ATOM 0 H ASP A 44 -7.419 -6.132 3.346 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.720 -8.683 2.900 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.240 -9.408 4.822 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.381 -8.935 3.370 1.00 0.00 H new ATOM 601 N GLY A 45 -10.006 -6.555 4.890 1.00 0.00 N ATOM 602 CA GLY A 45 -11.189 -6.367 5.746 1.00 0.00 C ATOM 603 C GLY A 45 -11.022 -5.757 7.110 1.00 0.00 C ATOM 604 O GLY A 45 -11.978 -5.760 7.877 1.00 0.00 O ATOM 0 H GLY A 45 -9.661 -5.689 4.475 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.897 -5.748 5.195 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.655 -7.343 5.879 1.00 0.00 H new ATOM 608 N TYR A 46 -9.841 -5.187 7.472 1.00 0.00 N ATOM 609 CA TYR A 46 -9.626 -4.487 8.744 1.00 0.00 C ATOM 610 C TYR A 46 -9.931 -3.007 8.520 1.00 0.00 C ATOM 611 O TYR A 46 -9.145 -2.297 7.901 1.00 0.00 O ATOM 612 CB TYR A 46 -8.161 -4.681 9.281 1.00 0.00 C ATOM 613 CG TYR A 46 -7.949 -4.243 10.729 1.00 0.00 C ATOM 614 CD1 TYR A 46 -7.628 -2.931 11.072 1.00 0.00 C ATOM 615 CD2 TYR A 46 -8.041 -5.176 11.752 1.00 0.00 C ATOM 616 CE1 TYR A 46 -7.427 -2.573 12.393 1.00 0.00 C ATOM 617 CE2 TYR A 46 -7.817 -4.821 13.071 1.00 0.00 C ATOM 618 CZ TYR A 46 -7.505 -3.516 13.396 1.00 0.00 C ATOM 619 OH TYR A 46 -7.241 -3.138 14.737 1.00 0.00 O ATOM 0 H TYR A 46 -9.013 -5.207 6.877 1.00 0.00 H new ATOM 0 HA TYR A 46 -10.288 -4.904 9.503 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -7.892 -5.733 9.191 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -7.477 -4.121 8.643 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -7.535 -2.185 10.297 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.292 -6.199 11.514 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.207 -1.545 12.641 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.887 -5.567 13.848 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.339 -3.918 15.322 1.00 0.00 H new ATOM 629 N GLU A 47 -11.087 -2.494 9.021 1.00 0.00 N ATOM 630 CA GLU A 47 -11.468 -1.081 8.934 1.00 0.00 C ATOM 631 C GLU A 47 -11.369 -0.387 10.263 1.00 0.00 C ATOM 632 O GLU A 47 -11.552 -0.977 11.330 1.00 0.00 O ATOM 633 CB GLU A 47 -12.888 -0.846 8.331 1.00 0.00 C ATOM 634 CG GLU A 47 -13.503 0.584 8.328 1.00 0.00 C ATOM 635 CD GLU A 47 -14.416 0.807 9.536 1.00 0.00 C ATOM 636 OE1 GLU A 47 -15.363 -0.004 9.718 1.00 0.00 O ATOM 637 OE2 GLU A 47 -14.190 1.796 10.283 1.00 0.00 O ATOM 0 H GLU A 47 -11.781 -3.068 9.500 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.745 -0.646 8.244 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.863 -1.191 7.297 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.580 -1.496 8.867 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.703 1.325 8.334 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -14.070 0.735 7.410 1.00 0.00 H new ATOM 644 N CYS A 48 -11.081 0.940 10.182 1.00 0.00 N ATOM 645 CA CYS A 48 -10.954 1.773 11.360 1.00 0.00 C ATOM 646 C CYS A 48 -10.888 3.152 10.771 1.00 0.00 C ATOM 647 O CYS A 48 -10.843 3.306 9.550 1.00 0.00 O ATOM 648 CB CYS A 48 -9.647 1.447 12.172 1.00 0.00 C ATOM 649 SG CYS A 48 -9.524 2.132 13.867 1.00 0.00 S ATOM 0 H CYS A 48 -10.936 1.435 9.302 1.00 0.00 H new ATOM 0 HA CYS A 48 -11.767 1.632 12.072 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -9.551 0.363 12.237 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -8.794 1.808 11.598 1.00 0.00 H new ATOM 0 HG CYS A 48 -9.269 3.405 13.803 1.00 0.00 H new ATOM 655 N ASP A 49 -10.796 4.203 11.613 1.00 0.00 N ATOM 656 CA ASP A 49 -10.317 5.508 11.164 1.00 0.00 C ATOM 657 C ASP A 49 -9.003 5.556 11.932 1.00 0.00 C ATOM 658 O ASP A 49 -8.926 5.116 13.087 1.00 0.00 O ATOM 659 CB ASP A 49 -11.118 6.784 11.581 1.00 0.00 C ATOM 660 CG ASP A 49 -12.267 6.490 12.548 1.00 0.00 C ATOM 661 OD1 ASP A 49 -13.302 5.935 12.090 1.00 0.00 O ATOM 662 OD2 ASP A 49 -12.127 6.826 13.755 1.00 0.00 O ATOM 0 H ASP A 49 -11.048 4.164 12.601 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.340 5.554 10.075 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.436 7.497 12.044 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.519 7.261 10.687 1.00 0.00 H new ATOM 667 N VAL A 50 -7.930 6.038 11.284 1.00 0.00 N ATOM 668 CA VAL A 50 -6.599 5.984 11.850 1.00 0.00 C ATOM 669 C VAL A 50 -5.854 7.190 11.376 1.00 0.00 C ATOM 670 O VAL A 50 -6.280 7.794 10.388 1.00 0.00 O ATOM 671 CB VAL A 50 -5.836 4.766 11.302 1.00 0.00 C ATOM 672 CG1 VAL A 50 -6.538 3.471 11.719 1.00 0.00 C ATOM 673 CG2 VAL A 50 -5.804 4.790 9.759 1.00 0.00 C ATOM 0 H VAL A 50 -7.974 6.470 10.361 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.675 5.931 12.936 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.824 4.808 11.704 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.988 2.616 11.325 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.573 3.410 12.807 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.553 3.464 11.322 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.260 3.920 9.393 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.823 4.769 9.374 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.306 5.698 9.419 1.00 0.00 H new ATOM 683 N LEU A 51 -4.672 7.527 11.986 1.00 0.00 N ATOM 684 CA LEU A 51 -3.788 8.563 11.448 1.00 0.00 C ATOM 685 C LEU A 51 -2.952 8.070 10.306 1.00 0.00 C ATOM 686 O LEU A 51 -2.738 6.877 10.087 1.00 0.00 O ATOM 687 CB LEU A 51 -2.928 9.347 12.481 1.00 0.00 C ATOM 688 CG LEU A 51 -3.464 10.675 13.044 1.00 0.00 C ATOM 689 CD1 LEU A 51 -3.483 11.724 11.912 1.00 0.00 C ATOM 690 CD2 LEU A 51 -4.769 10.507 13.835 1.00 0.00 C ATOM 0 H LEU A 51 -4.331 7.089 12.841 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.494 9.304 11.073 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.742 8.683 13.325 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.963 9.552 12.018 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.790 11.059 13.810 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.861 12.670 12.299 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.472 11.866 11.531 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.129 11.377 11.106 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.097 11.478 14.206 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.537 10.089 13.185 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.601 9.835 14.676 1.00 0.00 H new ATOM 702 N GLY A 52 -2.625 9.046 9.419 1.00 0.00 N ATOM 703 CA GLY A 52 -2.328 8.786 8.026 1.00 0.00 C ATOM 704 C GLY A 52 -1.019 8.106 7.772 1.00 0.00 C ATOM 705 O GLY A 52 -0.939 7.160 7.015 1.00 0.00 O ATOM 0 H GLY A 52 -2.566 10.032 9.673 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.126 8.171 7.609 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.339 9.732 7.485 1.00 0.00 H new ATOM 709 N LYS A 53 0.070 8.500 8.468 1.00 0.00 N ATOM 710 CA LYS A 53 1.432 7.931 8.412 1.00 0.00 C ATOM 711 C LYS A 53 1.560 6.414 8.833 1.00 0.00 C ATOM 712 O LYS A 53 2.649 5.843 8.889 1.00 0.00 O ATOM 713 CB LYS A 53 2.368 8.792 9.322 1.00 0.00 C ATOM 714 CG LYS A 53 2.268 8.622 10.865 1.00 0.00 C ATOM 715 CD LYS A 53 0.877 8.806 11.516 1.00 0.00 C ATOM 716 CE LYS A 53 0.824 8.353 12.983 1.00 0.00 C ATOM 717 NZ LYS A 53 1.645 9.226 13.851 1.00 0.00 N ATOM 0 H LYS A 53 0.016 9.276 9.128 1.00 0.00 H new ATOM 0 HA LYS A 53 1.720 7.960 7.361 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.397 8.581 9.032 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.180 9.841 9.092 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.628 7.625 11.117 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.952 9.334 11.327 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.593 9.857 11.458 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.139 8.244 10.943 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.209 8.361 13.330 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.178 7.325 13.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.587 8.892 14.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.635 9.198 13.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.291 10.202 13.796 1.00 0.00 H new ATOM 731 N ASP A 54 0.383 5.782 9.119 1.00 0.00 N ATOM 732 CA ASP A 54 0.019 4.409 9.407 1.00 0.00 C ATOM 733 C ASP A 54 -0.907 3.929 8.281 1.00 0.00 C ATOM 734 O ASP A 54 -0.631 2.935 7.632 1.00 0.00 O ATOM 735 CB ASP A 54 -0.705 4.207 10.773 1.00 0.00 C ATOM 736 CG ASP A 54 0.220 4.532 11.946 1.00 0.00 C ATOM 737 OD1 ASP A 54 1.378 4.036 11.953 1.00 0.00 O ATOM 738 OD2 ASP A 54 -0.236 5.263 12.865 1.00 0.00 O ATOM 0 H ASP A 54 -0.462 6.353 9.151 1.00 0.00 H new ATOM 0 HA ASP A 54 0.944 3.837 9.471 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.588 4.844 10.816 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.051 3.177 10.855 1.00 0.00 H new ATOM 743 N ILE A 55 -2.075 4.556 7.985 1.00 0.00 N ATOM 744 CA ILE A 55 -2.913 4.177 6.820 1.00 0.00 C ATOM 745 C ILE A 55 -3.344 5.401 5.942 1.00 0.00 C ATOM 746 O ILE A 55 -4.219 6.168 6.341 1.00 0.00 O ATOM 747 CB ILE A 55 -4.059 3.208 7.116 1.00 0.00 C ATOM 748 CG1 ILE A 55 -3.760 1.909 7.946 1.00 0.00 C ATOM 749 CG2 ILE A 55 -4.597 2.770 5.739 1.00 0.00 C ATOM 750 CD1 ILE A 55 -3.313 1.998 9.412 1.00 0.00 C ATOM 0 H ILE A 55 -2.456 5.325 8.537 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.236 3.584 6.205 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.742 3.761 7.761 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.663 1.299 7.923 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.989 1.356 7.409 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.423 2.072 5.876 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.948 3.644 5.191 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.801 2.283 5.175 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.158 0.994 9.807 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.382 2.561 9.475 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.082 2.503 9.997 1.00 0.00 H new ATOM 762 N LEU A 56 -2.678 5.615 4.755 1.00 0.00 N ATOM 763 CA LEU A 56 -2.727 6.804 3.860 1.00 0.00 C ATOM 764 C LEU A 56 -2.863 6.743 2.364 1.00 0.00 C ATOM 765 O LEU A 56 -2.556 5.705 1.804 1.00 0.00 O ATOM 766 CB LEU A 56 -1.762 7.936 4.222 1.00 0.00 C ATOM 767 CG LEU A 56 -0.267 7.623 4.057 1.00 0.00 C ATOM 768 CD1 LEU A 56 0.210 7.391 2.607 1.00 0.00 C ATOM 769 CD2 LEU A 56 0.515 8.759 4.714 1.00 0.00 C ATOM 0 H LEU A 56 -2.051 4.902 4.382 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.763 6.984 4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.002 8.803 3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.941 8.222 5.258 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.084 6.663 4.541 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.279 7.178 2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.329 6.546 2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.017 8.284 2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.584 8.569 4.616 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.267 9.701 4.226 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.253 8.818 5.770 1.00 0.00 H new ATOM 781 N LEU A 57 -3.258 7.885 1.692 1.00 0.00 N ATOM 782 CA LEU A 57 -3.299 8.191 0.260 1.00 0.00 C ATOM 783 C LEU A 57 -2.036 7.938 -0.541 1.00 0.00 C ATOM 784 O LEU A 57 -1.021 8.610 -0.562 1.00 0.00 O ATOM 785 CB LEU A 57 -3.736 9.707 0.130 1.00 0.00 C ATOM 786 CG LEU A 57 -2.852 10.926 0.514 1.00 0.00 C ATOM 787 CD1 LEU A 57 -1.868 10.664 1.642 1.00 0.00 C ATOM 788 CD2 LEU A 57 -2.157 11.585 -0.696 1.00 0.00 C ATOM 0 H LEU A 57 -3.588 8.687 2.229 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.005 7.489 -0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.007 9.852 -0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.651 9.806 0.713 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.571 11.646 0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.294 11.569 1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.413 10.374 2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.190 9.861 1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.557 12.429 -0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.513 10.856 -1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.910 11.937 -1.401 1.00 0.00 H new ATOM 800 N CYS A 58 -2.103 6.800 -1.211 1.00 0.00 N ATOM 801 CA CYS A 58 -1.091 6.177 -1.941 1.00 0.00 C ATOM 802 C CYS A 58 -1.481 5.849 -3.359 1.00 0.00 C ATOM 803 O CYS A 58 -2.613 5.965 -3.817 1.00 0.00 O ATOM 804 CB CYS A 58 -0.613 5.039 -1.020 1.00 0.00 C ATOM 805 SG CYS A 58 1.161 5.264 -0.628 1.00 0.00 S ATOM 0 H CYS A 58 -2.969 6.262 -1.239 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.241 6.820 -2.168 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.200 5.031 -0.102 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.768 4.076 -1.506 1.00 0.00 H new ATOM 0 HG CYS A 58 1.864 5.147 -1.715 1.00 0.00 H new ATOM 811 N ASP A 59 -0.458 5.345 -4.040 1.00 0.00 N ATOM 812 CA ASP A 59 -0.470 4.654 -5.332 1.00 0.00 C ATOM 813 C ASP A 59 -0.530 3.121 -5.125 1.00 0.00 C ATOM 814 O ASP A 59 -1.325 2.522 -5.840 1.00 0.00 O ATOM 815 CB ASP A 59 0.668 5.042 -6.359 1.00 0.00 C ATOM 816 CG ASP A 59 0.036 5.394 -7.712 1.00 0.00 C ATOM 817 OD1 ASP A 59 -0.794 4.589 -8.211 1.00 0.00 O ATOM 818 OD2 ASP A 59 0.363 6.486 -8.253 1.00 0.00 O ATOM 0 H ASP A 59 0.490 5.414 -3.671 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.379 5.014 -5.815 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.240 5.889 -5.981 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.366 4.213 -6.476 1.00 0.00 H new ATOM 823 N PRO A 60 0.190 2.390 -4.217 1.00 0.00 N ATOM 824 CA PRO A 60 1.099 2.848 -3.166 1.00 0.00 C ATOM 825 C PRO A 60 2.338 3.524 -3.625 1.00 0.00 C ATOM 826 O PRO A 60 2.407 4.740 -3.494 1.00 0.00 O ATOM 827 CB PRO A 60 1.401 1.614 -2.273 1.00 0.00 C ATOM 828 CG PRO A 60 0.323 0.597 -2.661 1.00 0.00 C ATOM 829 CD PRO A 60 -0.016 0.946 -4.116 1.00 0.00 C ATOM 0 HA PRO A 60 0.601 3.645 -2.613 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.402 1.224 -2.458 1.00 0.00 H new ATOM 0 HB3 PRO A 60 1.348 1.866 -1.214 1.00 0.00 H new ATOM 0 HG2 PRO A 60 0.689 -0.426 -2.572 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.553 0.679 -2.017 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.627 0.406 -4.811 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -1.044 0.676 -4.357 1.00 0.00 H new ATOM 837 N ILE A 61 3.354 2.804 -4.094 1.00 0.00 N ATOM 838 CA ILE A 61 4.653 3.378 -4.327 1.00 0.00 C ATOM 839 C ILE A 61 4.992 3.407 -5.792 1.00 0.00 C ATOM 840 O ILE A 61 4.377 2.629 -6.517 1.00 0.00 O ATOM 841 CB ILE A 61 5.596 2.711 -3.337 1.00 0.00 C ATOM 842 CG1 ILE A 61 5.804 3.757 -2.236 1.00 0.00 C ATOM 843 CG2 ILE A 61 6.937 2.219 -3.905 1.00 0.00 C ATOM 844 CD1 ILE A 61 7.016 3.514 -1.401 1.00 0.00 C ATOM 0 H ILE A 61 3.289 1.811 -4.319 1.00 0.00 H new ATOM 0 HA ILE A 61 4.728 4.445 -4.117 1.00 0.00 H new ATOM 0 HB ILE A 61 5.146 1.782 -2.987 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.880 4.743 -2.694 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.926 3.772 -1.591 1.00 0.00 H new ATOM 0 HG21 ILE A 61 7.524 1.762 -3.108 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.753 1.483 -4.688 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.487 3.063 -4.323 1.00 0.00 H new ATOM 0 HD11 ILE A 61 7.098 4.293 -0.644 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.934 2.542 -0.914 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.903 3.528 -2.034 1.00 0.00 H new ATOM 856 N PRO A 62 5.940 4.238 -6.315 1.00 0.00 N ATOM 857 CA PRO A 62 6.059 4.628 -7.715 1.00 0.00 C ATOM 858 C PRO A 62 6.114 3.504 -8.754 1.00 0.00 C ATOM 859 O PRO A 62 7.088 2.770 -8.798 1.00 0.00 O ATOM 860 CB PRO A 62 7.430 5.399 -7.680 1.00 0.00 C ATOM 861 CG PRO A 62 7.783 5.691 -6.215 1.00 0.00 C ATOM 862 CD PRO A 62 6.514 5.311 -5.513 1.00 0.00 C ATOM 0 HA PRO A 62 5.175 5.176 -8.041 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.213 4.802 -8.147 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.357 6.328 -8.245 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.632 5.099 -5.873 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.040 6.738 -6.057 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.712 4.978 -4.494 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.833 6.159 -5.445 1.00 0.00 H new ATOM 870 N LEU A 63 5.071 3.398 -9.616 1.00 0.00 N ATOM 871 CA LEU A 63 4.690 2.440 -10.656 1.00 0.00 C ATOM 872 C LEU A 63 5.674 1.759 -11.598 1.00 0.00 C ATOM 873 O LEU A 63 5.276 1.197 -12.613 1.00 0.00 O ATOM 874 CB LEU A 63 3.473 3.045 -11.392 1.00 0.00 C ATOM 875 CG LEU A 63 2.190 2.865 -10.560 1.00 0.00 C ATOM 876 CD1 LEU A 63 1.270 4.091 -10.661 1.00 0.00 C ATOM 877 CD2 LEU A 63 1.499 1.567 -10.997 1.00 0.00 C ATOM 0 H LEU A 63 4.357 4.125 -9.576 1.00 0.00 H new ATOM 0 HA LEU A 63 4.510 1.536 -10.075 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.645 4.105 -11.580 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.353 2.565 -12.363 1.00 0.00 H new ATOM 0 HG LEU A 63 2.446 2.783 -9.504 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.376 3.925 -10.060 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.796 4.972 -10.293 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.985 4.247 -11.701 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.588 1.426 -10.416 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.248 1.627 -12.056 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.170 0.724 -10.830 1.00 0.00 H new ATOM 889 N ASP A 64 6.978 1.813 -11.281 1.00 0.00 N ATOM 890 CA ASP A 64 8.066 1.086 -11.916 1.00 0.00 C ATOM 891 C ASP A 64 9.196 1.090 -10.905 1.00 0.00 C ATOM 892 O ASP A 64 10.313 1.542 -11.144 1.00 0.00 O ATOM 893 CB ASP A 64 8.337 1.700 -13.284 1.00 0.00 C ATOM 894 CG ASP A 64 9.305 0.905 -14.160 1.00 0.00 C ATOM 895 OD1 ASP A 64 9.017 -0.293 -14.427 1.00 0.00 O ATOM 896 OD2 ASP A 64 10.342 1.488 -14.576 1.00 0.00 O ATOM 0 H ASP A 64 7.312 2.408 -10.523 1.00 0.00 H new ATOM 0 HA ASP A 64 7.864 0.041 -12.153 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.390 1.804 -13.814 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.736 2.704 -13.144 1.00 0.00 H new ATOM 901 N THR A 65 8.822 0.650 -9.677 1.00 0.00 N ATOM 902 CA THR A 65 9.609 0.639 -8.464 1.00 0.00 C ATOM 903 C THR A 65 9.845 -0.710 -8.020 1.00 0.00 C ATOM 904 O THR A 65 8.931 -1.466 -7.758 1.00 0.00 O ATOM 905 CB THR A 65 9.077 1.408 -7.234 1.00 0.00 C ATOM 906 OG1 THR A 65 9.291 2.775 -7.460 1.00 0.00 O ATOM 907 CG2 THR A 65 9.727 1.159 -5.862 1.00 0.00 C ATOM 0 H THR A 65 7.889 0.269 -9.521 1.00 0.00 H new ATOM 0 HA THR A 65 10.502 1.171 -8.791 1.00 0.00 H new ATOM 0 HB THR A 65 8.048 1.055 -7.161 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.766 3.064 -8.235 1.00 0.00 H new ATOM 0 HG21 THR A 65 9.236 1.776 -5.110 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.621 0.108 -5.594 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.785 1.416 -5.909 1.00 0.00 H new ATOM 915 N GLU A 66 11.110 -0.967 -7.728 1.00 0.00 N ATOM 916 CA GLU A 66 11.612 -2.107 -6.979 1.00 0.00 C ATOM 917 C GLU A 66 11.059 -2.127 -5.529 1.00 0.00 C ATOM 918 O GLU A 66 11.622 -1.502 -4.643 1.00 0.00 O ATOM 919 CB GLU A 66 13.165 -1.992 -6.962 1.00 0.00 C ATOM 920 CG GLU A 66 13.947 -3.136 -6.278 1.00 0.00 C ATOM 921 CD GLU A 66 14.000 -4.412 -7.125 1.00 0.00 C ATOM 922 OE1 GLU A 66 13.366 -4.464 -8.211 1.00 0.00 O ATOM 923 OE2 GLU A 66 14.712 -5.358 -6.691 1.00 0.00 O ATOM 0 H GLU A 66 11.861 -0.345 -8.027 1.00 0.00 H new ATOM 0 HA GLU A 66 11.288 -3.035 -7.451 1.00 0.00 H new ATOM 0 HB2 GLU A 66 13.510 -1.915 -7.993 1.00 0.00 H new ATOM 0 HB3 GLU A 66 13.430 -1.058 -6.467 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.963 -2.801 -6.071 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.484 -3.362 -5.318 1.00 0.00 H new ATOM 930 N VAL A 67 9.948 -2.885 -5.338 1.00 0.00 N ATOM 931 CA VAL A 67 9.076 -3.211 -4.196 1.00 0.00 C ATOM 932 C VAL A 67 9.237 -4.653 -3.950 1.00 0.00 C ATOM 933 O VAL A 67 9.909 -5.360 -4.688 1.00 0.00 O ATOM 934 CB VAL A 67 7.568 -2.935 -4.249 1.00 0.00 C ATOM 935 CG1 VAL A 67 7.325 -1.676 -3.419 1.00 0.00 C ATOM 936 CG2 VAL A 67 7.043 -2.785 -5.667 1.00 0.00 C ATOM 0 H VAL A 67 9.582 -3.373 -6.155 1.00 0.00 H new ATOM 0 HA VAL A 67 9.414 -2.517 -3.426 1.00 0.00 H new ATOM 0 HB VAL A 67 7.020 -3.785 -3.842 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.262 -1.436 -3.425 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.653 -1.847 -2.394 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.887 -0.845 -3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.971 -2.591 -5.639 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.550 -1.953 -6.156 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.232 -3.703 -6.224 1.00 0.00 H new ATOM 946 N THR A 68 8.640 -5.141 -2.837 1.00 0.00 N ATOM 947 CA THR A 68 8.847 -6.529 -2.439 1.00 0.00 C ATOM 948 C THR A 68 7.628 -7.366 -2.686 1.00 0.00 C ATOM 949 O THR A 68 6.500 -6.884 -2.606 1.00 0.00 O ATOM 950 CB THR A 68 9.527 -6.649 -1.075 1.00 0.00 C ATOM 951 OG1 THR A 68 10.007 -7.950 -0.719 1.00 0.00 O ATOM 952 CG2 THR A 68 8.518 -6.173 -0.047 1.00 0.00 C ATOM 0 H THR A 68 8.030 -4.602 -2.222 1.00 0.00 H new ATOM 0 HA THR A 68 9.586 -6.985 -3.098 1.00 0.00 H new ATOM 0 HB THR A 68 10.433 -6.045 -1.115 1.00 0.00 H new ATOM 0 HG1 THR A 68 10.251 -8.442 -1.531 1.00 0.00 H new ATOM 0 HG21 THR A 68 8.955 -6.239 0.949 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.246 -5.139 -0.256 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.627 -6.799 -0.094 1.00 0.00 H new ATOM 960 N ALA A 69 7.854 -8.661 -2.997 1.00 0.00 N ATOM 961 CA ALA A 69 6.817 -9.638 -3.204 1.00 0.00 C ATOM 962 C ALA A 69 6.953 -10.613 -2.056 1.00 0.00 C ATOM 963 O ALA A 69 8.034 -11.147 -1.788 1.00 0.00 O ATOM 964 CB ALA A 69 7.052 -10.313 -4.560 1.00 0.00 C ATOM 0 H ALA A 69 8.793 -9.043 -3.109 1.00 0.00 H new ATOM 0 HA ALA A 69 5.813 -9.214 -3.223 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.275 -11.058 -4.735 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.020 -9.563 -5.350 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.028 -10.799 -4.560 1.00 0.00 H new ATOM 970 N LEU A 70 5.843 -10.794 -1.309 1.00 0.00 N ATOM 971 CA LEU A 70 5.833 -11.507 -0.046 1.00 0.00 C ATOM 972 C LEU A 70 5.693 -13.018 -0.134 1.00 0.00 C ATOM 973 O LEU A 70 4.718 -13.589 -0.613 1.00 0.00 O ATOM 974 CB LEU A 70 4.827 -10.851 0.910 1.00 0.00 C ATOM 975 CG LEU A 70 5.190 -10.789 2.418 1.00 0.00 C ATOM 976 CD1 LEU A 70 4.858 -12.098 3.128 1.00 0.00 C ATOM 977 CD2 LEU A 70 6.631 -10.374 2.786 1.00 0.00 C ATOM 0 H LEU A 70 4.927 -10.439 -1.583 1.00 0.00 H new ATOM 0 HA LEU A 70 6.836 -11.405 0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.655 -9.831 0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.881 -11.383 0.816 1.00 0.00 H new ATOM 0 HG LEU A 70 4.562 -9.969 2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.125 -12.018 4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.791 -12.300 3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.421 -12.912 2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.744 -10.373 3.870 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.336 -11.081 2.348 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.832 -9.375 2.400 1.00 0.00 H new ATOM 989 N SER A 71 6.786 -13.617 0.353 1.00 0.00 N ATOM 990 CA SER A 71 7.227 -14.972 0.551 1.00 0.00 C ATOM 991 C SER A 71 7.854 -14.899 1.931 1.00 0.00 C ATOM 992 O SER A 71 8.013 -13.813 2.474 1.00 0.00 O ATOM 993 CB SER A 71 8.233 -15.477 -0.522 1.00 0.00 C ATOM 994 OG SER A 71 7.553 -15.840 -1.721 1.00 0.00 O ATOM 0 H SER A 71 7.530 -13.003 0.683 1.00 0.00 H new ATOM 0 HA SER A 71 6.413 -15.691 0.463 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.966 -14.699 -0.735 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.783 -16.335 -0.136 1.00 0.00 H new ATOM 0 HG SER A 71 8.203 -16.153 -2.384 1.00 0.00 H new ATOM 1063 N PHE A 76 11.871 -14.140 0.921 1.00 0.00 N ATOM 1064 CA PHE A 76 11.309 -12.953 0.216 1.00 0.00 C ATOM 1065 C PHE A 76 12.294 -11.992 -0.503 1.00 0.00 C ATOM 1066 O PHE A 76 13.445 -11.800 -0.114 1.00 0.00 O ATOM 1067 CB PHE A 76 10.323 -12.107 1.093 1.00 0.00 C ATOM 1068 CG PHE A 76 10.882 -11.098 2.075 1.00 0.00 C ATOM 1069 CD1 PHE A 76 11.841 -11.429 3.015 1.00 0.00 C ATOM 1070 CD2 PHE A 76 10.391 -9.808 2.052 1.00 0.00 C ATOM 1071 CE1 PHE A 76 12.312 -10.480 3.902 1.00 0.00 C ATOM 1072 CE2 PHE A 76 10.852 -8.859 2.939 1.00 0.00 C ATOM 1073 CZ PHE A 76 11.820 -9.192 3.864 1.00 0.00 C ATOM 0 HA PHE A 76 10.772 -13.462 -0.584 1.00 0.00 H new ATOM 0 HB2 PHE A 76 9.659 -11.571 0.415 1.00 0.00 H new ATOM 0 HB3 PHE A 76 9.705 -12.806 1.657 1.00 0.00 H new ATOM 0 HD1 PHE A 76 12.225 -12.438 3.056 1.00 0.00 H new ATOM 0 HD2 PHE A 76 9.635 -9.539 1.329 1.00 0.00 H new ATOM 0 HE1 PHE A 76 13.067 -10.747 4.627 1.00 0.00 H new ATOM 0 HE2 PHE A 76 10.456 -7.855 2.910 1.00 0.00 H new ATOM 0 HZ PHE A 76 12.190 -8.449 4.554 1.00 0.00 H new ATOM 1083 N SER A 77 11.825 -11.447 -1.645 1.00 0.00 N ATOM 1084 CA SER A 77 12.651 -10.729 -2.613 1.00 0.00 C ATOM 1085 C SER A 77 11.950 -9.519 -3.185 1.00 0.00 C ATOM 1086 O SER A 77 10.726 -9.394 -3.071 1.00 0.00 O ATOM 1087 CB SER A 77 13.156 -11.666 -3.755 1.00 0.00 C ATOM 1088 OG SER A 77 12.087 -12.374 -4.384 1.00 0.00 O ATOM 0 H SER A 77 10.843 -11.500 -1.916 1.00 0.00 H new ATOM 0 HA SER A 77 13.520 -10.371 -2.062 1.00 0.00 H new ATOM 0 HB2 SER A 77 13.686 -11.074 -4.501 1.00 0.00 H new ATOM 0 HB3 SER A 77 13.872 -12.380 -3.347 1.00 0.00 H new ATOM 0 HG SER A 77 12.447 -12.947 -5.093 1.00 0.00 H new ATOM 1094 N ALA A 78 12.729 -8.577 -3.799 1.00 0.00 N ATOM 1095 CA ALA A 78 12.210 -7.415 -4.516 1.00 0.00 C ATOM 1096 C ALA A 78 12.124 -7.620 -6.020 1.00 0.00 C ATOM 1097 O ALA A 78 12.904 -8.336 -6.646 1.00 0.00 O ATOM 1098 CB ALA A 78 12.791 -6.041 -4.069 1.00 0.00 C ATOM 0 H ALA A 78 13.748 -8.623 -3.798 1.00 0.00 H new ATOM 0 HA ALA A 78 11.173 -7.341 -4.190 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.341 -5.245 -4.663 1.00 0.00 H new ATOM 0 HB2 ALA A 78 12.568 -5.877 -3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.871 -6.037 -4.217 1.00 0.00 H new ATOM 1104 N GLY A 79 11.080 -6.990 -6.596 1.00 0.00 N ATOM 1105 CA GLY A 79 10.695 -7.019 -7.990 1.00 0.00 C ATOM 1106 C GLY A 79 10.067 -5.711 -8.201 1.00 0.00 C ATOM 1107 O GLY A 79 10.191 -4.820 -7.386 1.00 0.00 O ATOM 0 H GLY A 79 10.449 -6.410 -6.044 1.00 0.00 H new ATOM 0 HA2 GLY A 79 11.558 -7.159 -8.641 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.002 -7.835 -8.198 1.00 0.00 H new ATOM 1111 N VAL A 80 9.380 -5.494 -9.313 1.00 0.00 N ATOM 1112 CA VAL A 80 8.921 -4.168 -9.651 1.00 0.00 C ATOM 1113 C VAL A 80 7.452 -4.068 -9.578 1.00 0.00 C ATOM 1114 O VAL A 80 6.764 -4.913 -10.121 1.00 0.00 O ATOM 1115 CB VAL A 80 9.501 -3.888 -11.038 1.00 0.00 C ATOM 1116 CG1 VAL A 80 8.789 -2.823 -11.897 1.00 0.00 C ATOM 1117 CG2 VAL A 80 10.938 -3.437 -10.764 1.00 0.00 C ATOM 0 H VAL A 80 9.133 -6.218 -9.988 1.00 0.00 H new ATOM 0 HA VAL A 80 9.260 -3.411 -8.944 1.00 0.00 H new ATOM 0 HB VAL A 80 9.391 -4.793 -11.635 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.302 -2.724 -12.853 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.756 -3.125 -12.069 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.805 -1.866 -11.376 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.435 -3.213 -11.708 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.926 -2.544 -10.139 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.477 -4.233 -10.250 1.00 0.00 H new ATOM 1127 N VAL A 81 6.897 -2.971 -8.985 1.00 0.00 N ATOM 1128 CA VAL A 81 5.490 -2.596 -9.171 1.00 0.00 C ATOM 1129 C VAL A 81 5.400 -1.955 -10.539 1.00 0.00 C ATOM 1130 O VAL A 81 6.270 -1.133 -10.846 1.00 0.00 O ATOM 1131 CB VAL A 81 4.954 -1.547 -8.152 1.00 0.00 C ATOM 1132 CG1 VAL A 81 5.703 -0.192 -8.138 1.00 0.00 C ATOM 1133 CG2 VAL A 81 3.484 -1.167 -8.382 1.00 0.00 C ATOM 0 H VAL A 81 7.416 -2.339 -8.376 1.00 0.00 H new ATOM 0 HA VAL A 81 4.894 -3.499 -9.039 1.00 0.00 H new ATOM 0 HB VAL A 81 5.107 -2.078 -7.212 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.252 0.466 -7.395 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.751 -0.358 -7.887 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.635 0.272 -9.122 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.177 -0.433 -7.637 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.370 -0.742 -9.379 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.860 -2.056 -8.294 1.00 0.00 H new ATOM 1143 N LYS A 82 4.399 -2.370 -11.362 1.00 0.00 N ATOM 1144 CA LYS A 82 4.235 -1.846 -12.704 1.00 0.00 C ATOM 1145 C LYS A 82 2.850 -1.252 -12.942 1.00 0.00 C ATOM 1146 O LYS A 82 2.678 -0.294 -13.691 1.00 0.00 O ATOM 1147 CB LYS A 82 4.540 -2.972 -13.712 1.00 0.00 C ATOM 1148 CG LYS A 82 5.071 -2.488 -15.068 1.00 0.00 C ATOM 1149 CD LYS A 82 5.529 -3.662 -15.949 1.00 0.00 C ATOM 1150 CE LYS A 82 6.216 -3.224 -17.252 1.00 0.00 C ATOM 1151 NZ LYS A 82 5.290 -2.465 -18.124 1.00 0.00 N ATOM 0 H LYS A 82 3.703 -3.068 -11.099 1.00 0.00 H new ATOM 0 HA LYS A 82 4.935 -1.022 -12.840 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.272 -3.649 -13.271 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.631 -3.550 -13.878 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.292 -1.927 -15.585 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.905 -1.804 -14.910 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.216 -4.287 -15.378 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.665 -4.280 -16.194 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.084 -2.608 -17.018 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.582 -4.102 -17.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.785 -2.184 -18.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.474 -3.062 -18.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.960 -1.615 -17.624 1.00 0.00 H new ATOM 1165 N GLY A 83 1.795 -1.833 -12.314 1.00 0.00 N ATOM 1166 CA GLY A 83 0.404 -1.430 -12.532 1.00 0.00 C ATOM 1167 C GLY A 83 -0.530 -2.106 -11.558 1.00 0.00 C ATOM 1168 O GLY A 83 -0.257 -3.203 -11.065 1.00 0.00 O ATOM 0 H GLY A 83 1.898 -2.594 -11.643 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.318 -0.348 -12.429 1.00 0.00 H new ATOM 0 HA3 GLY A 83 0.109 -1.677 -13.552 1.00 0.00 H new ATOM 1172 N HIS A 84 -1.699 -1.484 -11.245 1.00 0.00 N ATOM 1173 CA HIS A 84 -2.663 -2.082 -10.325 1.00 0.00 C ATOM 1174 C HIS A 84 -4.124 -1.762 -10.524 1.00 0.00 C ATOM 1175 O HIS A 84 -4.508 -0.739 -11.097 1.00 0.00 O ATOM 1176 CB HIS A 84 -2.235 -1.989 -8.829 1.00 0.00 C ATOM 1177 CG HIS A 84 -1.374 -0.810 -8.432 1.00 0.00 C ATOM 1178 ND1 HIS A 84 -1.635 0.543 -8.574 1.00 0.00 N ATOM 1179 CD2 HIS A 84 -0.134 -0.885 -7.879 1.00 0.00 C ATOM 1180 CE1 HIS A 84 -0.536 1.204 -8.117 1.00 0.00 C ATOM 1181 NE2 HIS A 84 0.387 0.377 -7.672 1.00 0.00 N ATOM 0 H HIS A 84 -1.980 -0.578 -11.620 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.611 -3.128 -10.629 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -3.138 -1.969 -8.219 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -1.698 -2.902 -8.573 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.374 -1.806 -7.635 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -0.433 2.279 -8.119 1.00 0.00 H new ATOM 0 HE2 HIS A 84 1.290 0.616 -7.263 1.00 0.00 H new ATOM 1302 N TYR A 92 -5.511 -7.082 -7.630 1.00 0.00 N ATOM 1303 CA TYR A 92 -4.267 -7.614 -8.165 1.00 0.00 C ATOM 1304 C TYR A 92 -3.345 -6.527 -8.634 1.00 0.00 C ATOM 1305 O TYR A 92 -3.738 -5.617 -9.366 1.00 0.00 O ATOM 1306 CB TYR A 92 -4.393 -8.873 -9.096 1.00 0.00 C ATOM 1307 CG TYR A 92 -5.594 -8.896 -10.013 1.00 0.00 C ATOM 1308 CD1 TYR A 92 -5.500 -8.329 -11.262 1.00 0.00 C ATOM 1309 CD2 TYR A 92 -6.774 -9.548 -9.680 1.00 0.00 C ATOM 1310 CE1 TYR A 92 -6.490 -8.478 -12.204 1.00 0.00 C ATOM 1311 CE2 TYR A 92 -7.815 -9.624 -10.589 1.00 0.00 C ATOM 1312 CZ TYR A 92 -7.655 -9.121 -11.861 1.00 0.00 C ATOM 1313 OH TYR A 92 -8.693 -9.225 -12.802 1.00 0.00 O ATOM 0 HA TYR A 92 -3.760 -8.070 -7.315 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -3.492 -8.942 -9.706 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -4.422 -9.764 -8.469 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -4.623 -7.750 -11.510 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.880 -9.999 -8.704 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -6.354 -8.093 -13.204 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -8.752 -10.077 -10.301 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.447 -9.708 -12.405 1.00 0.00 H new ATOM 1323 N TYR A 93 -2.058 -6.629 -8.215 1.00 0.00 N ATOM 1324 CA TYR A 93 -0.962 -5.783 -8.636 1.00 0.00 C ATOM 1325 C TYR A 93 -0.156 -6.674 -9.587 1.00 0.00 C ATOM 1326 O TYR A 93 0.063 -7.854 -9.295 1.00 0.00 O ATOM 1327 CB TYR A 93 -0.028 -5.214 -7.498 1.00 0.00 C ATOM 1328 CG TYR A 93 -0.557 -4.259 -6.420 1.00 0.00 C ATOM 1329 CD1 TYR A 93 -1.899 -4.080 -6.124 1.00 0.00 C ATOM 1330 CD2 TYR A 93 0.354 -3.531 -5.645 1.00 0.00 C ATOM 1331 CE1 TYR A 93 -2.314 -3.262 -5.087 1.00 0.00 C ATOM 1332 CE2 TYR A 93 -0.067 -2.759 -4.571 1.00 0.00 C ATOM 1333 CZ TYR A 93 -1.408 -2.642 -4.266 1.00 0.00 C ATOM 1334 OH TYR A 93 -1.862 -1.869 -3.167 1.00 0.00 O ATOM 0 H TYR A 93 -1.765 -7.341 -7.546 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.369 -4.873 -9.078 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.395 -6.074 -6.978 1.00 0.00 H new ATOM 0 HB3 TYR A 93 0.798 -4.704 -7.994 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.641 -4.592 -6.718 1.00 0.00 H new ATOM 0 HD2 TYR A 93 1.406 -3.571 -5.888 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.370 -3.110 -4.922 1.00 0.00 H new ATOM 0 HE2 TYR A 93 0.664 -2.243 -3.966 1.00 0.00 H new ATOM 0 HH TYR A 93 -2.545 -2.370 -2.674 1.00 0.00 H new ATOM 1344 N SER A 94 0.315 -6.129 -10.752 1.00 0.00 N ATOM 1345 CA SER A 94 1.178 -6.808 -11.724 1.00 0.00 C ATOM 1346 C SER A 94 2.599 -6.456 -11.342 1.00 0.00 C ATOM 1347 O SER A 94 3.087 -5.342 -11.596 1.00 0.00 O ATOM 1348 CB SER A 94 0.895 -6.463 -13.222 1.00 0.00 C ATOM 1349 OG SER A 94 0.693 -5.068 -13.466 1.00 0.00 O ATOM 0 H SER A 94 0.087 -5.175 -11.032 1.00 0.00 H new ATOM 0 HA SER A 94 0.980 -7.879 -11.674 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.731 -6.811 -13.829 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.012 -7.011 -13.551 1.00 0.00 H new ATOM 0 HG SER A 94 1.355 -4.549 -12.964 1.00 0.00 H new ATOM 1355 N ILE A 95 3.218 -7.425 -10.617 1.00 0.00 N ATOM 1356 CA ILE A 95 4.520 -7.305 -9.982 1.00 0.00 C ATOM 1357 C ILE A 95 5.501 -8.030 -10.835 1.00 0.00 C ATOM 1358 O ILE A 95 5.372 -9.231 -11.080 1.00 0.00 O ATOM 1359 CB ILE A 95 4.437 -7.823 -8.564 1.00 0.00 C ATOM 1360 CG1 ILE A 95 3.276 -7.098 -7.875 1.00 0.00 C ATOM 1361 CG2 ILE A 95 5.703 -7.576 -7.717 1.00 0.00 C ATOM 1362 CD1 ILE A 95 3.370 -5.561 -7.874 1.00 0.00 C ATOM 0 H ILE A 95 2.792 -8.339 -10.464 1.00 0.00 H new ATOM 0 HA ILE A 95 4.851 -6.270 -9.900 1.00 0.00 H new ATOM 0 HB ILE A 95 4.307 -8.903 -8.631 1.00 0.00 H new ATOM 0 HG12 ILE A 95 2.346 -7.389 -8.364 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.215 -7.443 -6.843 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.555 -7.980 -6.715 1.00 0.00 H new ATOM 0 HG22 ILE A 95 6.555 -8.069 -8.185 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.894 -6.505 -7.652 1.00 0.00 H new ATOM 0 HD11 ILE A 95 2.502 -5.144 -7.363 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.278 -5.252 -7.357 1.00 0.00 H new ATOM 0 HD13 ILE A 95 3.396 -5.197 -8.901 1.00 0.00 H new ATOM 1374 N GLU A 96 6.510 -7.291 -11.363 1.00 0.00 N ATOM 1375 CA GLU A 96 7.462 -7.849 -12.333 1.00 0.00 C ATOM 1376 C GLU A 96 8.610 -8.490 -11.607 1.00 0.00 C ATOM 1377 O GLU A 96 9.443 -7.815 -11.005 1.00 0.00 O ATOM 1378 CB GLU A 96 7.931 -6.795 -13.364 1.00 0.00 C ATOM 1379 CG GLU A 96 8.911 -7.304 -14.446 1.00 0.00 C ATOM 1380 CD GLU A 96 9.405 -6.126 -15.286 1.00 0.00 C ATOM 1381 OE1 GLU A 96 8.555 -5.436 -15.906 1.00 0.00 O ATOM 1382 OE2 GLU A 96 10.645 -5.901 -15.315 1.00 0.00 O ATOM 0 H GLU A 96 6.677 -6.312 -11.129 1.00 0.00 H new ATOM 0 HA GLU A 96 6.953 -8.619 -12.912 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.052 -6.384 -13.861 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.407 -5.975 -12.826 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.756 -7.809 -13.977 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.416 -8.036 -15.084 1.00 0.00 H new ATOM 1389 N LYS A 97 8.589 -9.838 -11.575 1.00 0.00 N ATOM 1390 CA LYS A 97 9.492 -10.555 -10.680 1.00 0.00 C ATOM 1391 C LYS A 97 9.966 -11.821 -11.316 1.00 0.00 C ATOM 1392 O LYS A 97 9.176 -12.601 -11.847 1.00 0.00 O ATOM 1393 CB LYS A 97 8.727 -10.889 -9.388 1.00 0.00 C ATOM 1394 CG LYS A 97 9.464 -11.724 -8.325 1.00 0.00 C ATOM 1395 CD LYS A 97 8.800 -11.752 -6.950 1.00 0.00 C ATOM 1396 CE LYS A 97 8.602 -13.177 -6.409 1.00 0.00 C ATOM 1397 NZ LYS A 97 9.895 -13.861 -6.179 1.00 0.00 N ATOM 0 H LYS A 97 7.977 -10.426 -12.140 1.00 0.00 H new ATOM 0 HA LYS A 97 10.360 -9.932 -10.464 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.420 -9.951 -8.926 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.817 -11.422 -9.663 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.555 -12.748 -8.688 1.00 0.00 H new ATOM 0 HG3 LYS A 97 10.476 -11.333 -8.215 1.00 0.00 H new ATOM 0 HD2 LYS A 97 9.409 -11.183 -6.247 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.832 -11.254 -7.009 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.041 -13.137 -5.476 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.006 -13.755 -7.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 9.728 -14.763 -5.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.359 -14.043 -7.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 10.507 -13.258 -5.594 1.00 0.00 H new ATOM 1411 N GLU A 98 11.315 -12.021 -11.326 1.00 0.00 N ATOM 1412 CA GLU A 98 12.065 -13.114 -11.957 1.00 0.00 C ATOM 1413 C GLU A 98 12.152 -12.891 -13.469 1.00 0.00 C ATOM 1414 O GLU A 98 12.705 -13.676 -14.231 1.00 0.00 O ATOM 1415 CB GLU A 98 11.554 -14.538 -11.575 1.00 0.00 C ATOM 1416 CG GLU A 98 11.775 -14.864 -10.090 1.00 0.00 C ATOM 1417 CD GLU A 98 11.148 -16.215 -9.751 1.00 0.00 C ATOM 1418 OE1 GLU A 98 9.899 -16.336 -9.870 1.00 0.00 O ATOM 1419 OE2 GLU A 98 11.909 -17.145 -9.366 1.00 0.00 O ATOM 0 H GLU A 98 11.940 -11.367 -10.855 1.00 0.00 H new ATOM 0 HA GLU A 98 13.076 -13.085 -11.552 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.491 -14.613 -11.806 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.066 -15.281 -12.187 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.842 -14.884 -9.869 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.335 -14.084 -9.469 1.00 0.00 H new ATOM 1426 N GLY A 99 11.605 -11.719 -13.879 1.00 0.00 N ATOM 1427 CA GLY A 99 11.549 -11.175 -15.232 1.00 0.00 C ATOM 1428 C GLY A 99 10.153 -11.205 -15.790 1.00 0.00 C ATOM 1429 O GLY A 99 9.864 -10.576 -16.802 1.00 0.00 O ATOM 0 H GLY A 99 11.161 -11.091 -13.209 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.916 -10.149 -15.226 1.00 0.00 H new ATOM 0 HA3 GLY A 99 12.212 -11.747 -15.881 1.00 0.00 H new ATOM 1433 N GLN A 100 9.240 -11.966 -15.138 1.00 0.00 N ATOM 1434 CA GLN A 100 7.857 -12.151 -15.547 1.00 0.00 C ATOM 1435 C GLN A 100 6.893 -11.560 -14.564 1.00 0.00 C ATOM 1436 O GLN A 100 7.240 -11.218 -13.440 1.00 0.00 O ATOM 1437 CB GLN A 100 7.550 -13.627 -15.960 1.00 0.00 C ATOM 1438 CG GLN A 100 7.950 -14.765 -14.979 1.00 0.00 C ATOM 1439 CD GLN A 100 6.919 -15.032 -13.876 1.00 0.00 C ATOM 1440 OE1 GLN A 100 5.931 -15.753 -14.052 1.00 0.00 O ATOM 1441 NE2 GLN A 100 7.158 -14.432 -12.681 1.00 0.00 N ATOM 0 H GLN A 100 9.470 -12.478 -14.286 1.00 0.00 H new ATOM 0 HA GLN A 100 7.706 -11.577 -16.461 1.00 0.00 H new ATOM 0 HB2 GLN A 100 6.478 -13.706 -16.141 1.00 0.00 H new ATOM 0 HB3 GLN A 100 8.049 -13.817 -16.911 1.00 0.00 H new ATOM 0 HG2 GLN A 100 8.104 -15.682 -15.547 1.00 0.00 H new ATOM 0 HG3 GLN A 100 8.904 -14.513 -14.516 1.00 0.00 H new ATOM 0 HE21 GLN A 100 7.981 -13.842 -12.562 1.00 0.00 H new ATOM 0 HE22 GLN A 100 6.514 -14.572 -11.902 1.00 0.00 H new ATOM 1450 N ARG A 101 5.621 -11.357 -14.975 1.00 0.00 N ATOM 1451 CA ARG A 101 4.628 -10.675 -14.169 1.00 0.00 C ATOM 1452 C ARG A 101 3.851 -11.612 -13.289 1.00 0.00 C ATOM 1453 O ARG A 101 3.232 -12.560 -13.760 1.00 0.00 O ATOM 1454 CB ARG A 101 3.628 -9.846 -15.035 1.00 0.00 C ATOM 1455 CG ARG A 101 4.261 -9.029 -16.177 1.00 0.00 C ATOM 1456 CD ARG A 101 5.332 -8.036 -15.703 1.00 0.00 C ATOM 1457 NE ARG A 101 5.811 -7.210 -16.868 1.00 0.00 N ATOM 1458 CZ ARG A 101 6.732 -7.641 -17.788 1.00 0.00 C ATOM 1459 NH1 ARG A 101 7.299 -8.878 -17.694 1.00 0.00 N ATOM 1460 NH2 ARG A 101 7.097 -6.810 -18.808 1.00 0.00 N ATOM 0 H ARG A 101 5.270 -11.669 -15.881 1.00 0.00 H new ATOM 0 HA ARG A 101 5.198 -9.995 -13.536 1.00 0.00 H new ATOM 0 HB2 ARG A 101 2.893 -10.528 -15.463 1.00 0.00 H new ATOM 0 HB3 ARG A 101 3.086 -9.164 -14.380 1.00 0.00 H new ATOM 0 HG2 ARG A 101 4.707 -9.714 -16.899 1.00 0.00 H new ATOM 0 HG3 ARG A 101 3.476 -8.482 -16.699 1.00 0.00 H new ATOM 0 HD2 ARG A 101 4.923 -7.387 -14.929 1.00 0.00 H new ATOM 0 HD3 ARG A 101 6.169 -8.574 -15.258 1.00 0.00 H new ATOM 0 HE ARG A 101 5.426 -6.272 -16.979 1.00 0.00 H new ATOM 0 HH11 ARG A 101 7.040 -9.501 -16.929 1.00 0.00 H new ATOM 0 HH12 ARG A 101 7.982 -9.180 -18.389 1.00 0.00 H new ATOM 0 HH21 ARG A 101 6.686 -5.879 -18.880 1.00 0.00 H new ATOM 0 HH22 ARG A 101 7.781 -7.120 -19.498 1.00 0.00 H new ATOM 1474 N LYS A 102 3.874 -11.326 -11.972 1.00 0.00 N ATOM 1475 CA LYS A 102 3.111 -12.051 -10.963 1.00 0.00 C ATOM 1476 C LYS A 102 1.931 -11.185 -10.640 1.00 0.00 C ATOM 1477 O LYS A 102 2.090 -10.055 -10.178 1.00 0.00 O ATOM 1478 CB LYS A 102 3.930 -12.391 -9.678 1.00 0.00 C ATOM 1479 CG LYS A 102 4.632 -13.753 -9.858 1.00 0.00 C ATOM 1480 CD LYS A 102 6.075 -13.836 -9.336 1.00 0.00 C ATOM 1481 CE LYS A 102 6.601 -15.275 -9.203 1.00 0.00 C ATOM 1482 NZ LYS A 102 5.847 -16.042 -8.183 1.00 0.00 N ATOM 0 H LYS A 102 4.437 -10.569 -11.583 1.00 0.00 H new ATOM 0 HA LYS A 102 2.815 -13.024 -11.356 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.668 -11.612 -9.488 1.00 0.00 H new ATOM 0 HB3 LYS A 102 3.270 -12.422 -8.811 1.00 0.00 H new ATOM 0 HG2 LYS A 102 4.039 -14.516 -9.353 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.635 -14.002 -10.919 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.728 -13.280 -10.009 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.129 -13.347 -8.363 1.00 0.00 H new ATOM 0 HE2 LYS A 102 6.527 -15.780 -10.166 1.00 0.00 H new ATOM 0 HE3 LYS A 102 7.657 -15.253 -8.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 6.405 -16.868 -7.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 5.663 -15.435 -7.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.943 -16.361 -8.587 1.00 0.00 H new ATOM 1496 N TRP A 103 0.683 -11.692 -10.861 1.00 0.00 N ATOM 1497 CA TRP A 103 -0.513 -10.961 -10.487 1.00 0.00 C ATOM 1498 C TRP A 103 -0.813 -11.437 -9.064 1.00 0.00 C ATOM 1499 O TRP A 103 -1.252 -12.552 -8.778 1.00 0.00 O ATOM 1500 CB TRP A 103 -1.697 -11.205 -11.464 1.00 0.00 C ATOM 1501 CG TRP A 103 -1.607 -10.491 -12.816 1.00 0.00 C ATOM 1502 CD1 TRP A 103 -1.407 -11.020 -14.061 1.00 0.00 C ATOM 1503 CD2 TRP A 103 -1.932 -9.101 -13.024 1.00 0.00 C ATOM 1504 NE1 TRP A 103 -1.637 -10.058 -15.027 1.00 0.00 N ATOM 1505 CE2 TRP A 103 -1.995 -8.884 -14.397 1.00 0.00 C ATOM 1506 CE3 TRP A 103 -2.198 -8.092 -12.145 1.00 0.00 C ATOM 1507 CZ2 TRP A 103 -2.382 -7.673 -14.903 1.00 0.00 C ATOM 1508 CZ3 TRP A 103 -2.579 -6.862 -12.653 1.00 0.00 C ATOM 1509 CH2 TRP A 103 -2.692 -6.664 -14.013 1.00 0.00 C ATOM 0 H TRP A 103 0.505 -12.598 -11.294 1.00 0.00 H new ATOM 0 HA TRP A 103 -0.365 -9.882 -10.535 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -1.778 -12.277 -11.646 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -2.619 -10.895 -10.972 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -1.113 -12.040 -14.260 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -1.556 -10.193 -16.035 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -2.113 -8.249 -11.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -2.443 -7.511 -15.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -2.790 -6.048 -11.976 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -3.027 -5.708 -14.387 1.00 0.00 H new ATOM 1520 N TYR A 104 -0.470 -10.517 -8.153 1.00 0.00 N ATOM 1521 CA TYR A 104 -0.446 -10.718 -6.724 1.00 0.00 C ATOM 1522 C TYR A 104 -1.360 -9.714 -6.134 1.00 0.00 C ATOM 1523 O TYR A 104 -1.147 -8.517 -6.285 1.00 0.00 O ATOM 1524 CB TYR A 104 0.966 -10.398 -6.137 1.00 0.00 C ATOM 1525 CG TYR A 104 2.021 -11.474 -6.178 1.00 0.00 C ATOM 1526 CD1 TYR A 104 1.782 -12.780 -5.780 1.00 0.00 C ATOM 1527 CD2 TYR A 104 3.333 -11.094 -6.410 1.00 0.00 C ATOM 1528 CE1 TYR A 104 2.833 -13.660 -5.582 1.00 0.00 C ATOM 1529 CE2 TYR A 104 4.373 -11.992 -6.286 1.00 0.00 C ATOM 1530 CZ TYR A 104 4.134 -13.267 -5.822 1.00 0.00 C ATOM 1531 OH TYR A 104 5.210 -14.156 -5.580 1.00 0.00 O ATOM 0 H TYR A 104 -0.191 -9.573 -8.419 1.00 0.00 H new ATOM 0 HA TYR A 104 -0.718 -11.751 -6.506 1.00 0.00 H new ATOM 0 HB2 TYR A 104 1.357 -9.530 -6.667 1.00 0.00 H new ATOM 0 HB3 TYR A 104 0.834 -10.103 -5.096 1.00 0.00 H new ATOM 0 HD1 TYR A 104 0.767 -13.114 -5.623 1.00 0.00 H new ATOM 0 HD2 TYR A 104 3.546 -10.074 -6.694 1.00 0.00 H new ATOM 0 HE1 TYR A 104 2.633 -14.663 -5.236 1.00 0.00 H new ATOM 0 HE2 TYR A 104 5.376 -11.695 -6.553 1.00 0.00 H new ATOM 0 HH TYR A 104 4.865 -15.067 -5.477 1.00 0.00 H new ATOM 1541 N LYS A 105 -2.346 -10.157 -5.322 1.00 0.00 N ATOM 1542 CA LYS A 105 -3.181 -9.354 -4.490 1.00 0.00 C ATOM 1543 C LYS A 105 -2.433 -8.612 -3.402 1.00 0.00 C ATOM 1544 O LYS A 105 -1.249 -8.824 -3.148 1.00 0.00 O ATOM 1545 CB LYS A 105 -4.248 -10.307 -3.867 1.00 0.00 C ATOM 1546 CG LYS A 105 -3.688 -11.453 -3.003 1.00 0.00 C ATOM 1547 CD LYS A 105 -4.794 -12.384 -2.481 1.00 0.00 C ATOM 1548 CE LYS A 105 -4.274 -13.514 -1.581 1.00 0.00 C ATOM 1549 NZ LYS A 105 -3.363 -14.420 -2.319 1.00 0.00 N ATOM 0 H LYS A 105 -2.569 -11.149 -5.247 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.633 -8.572 -5.101 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.928 -9.713 -3.256 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -4.840 -10.739 -4.674 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -2.975 -12.033 -3.590 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.140 -11.034 -2.159 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.521 -11.793 -1.924 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -5.320 -12.820 -3.330 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -3.750 -13.087 -0.725 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -5.116 -14.084 -1.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -3.111 -15.227 -1.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -3.838 -14.766 -3.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -2.500 -13.904 -2.585 1.00 0.00 H new ATOM 1563 N ARG A 106 -3.175 -7.742 -2.715 1.00 0.00 N ATOM 1564 CA ARG A 106 -2.815 -6.817 -1.653 1.00 0.00 C ATOM 1565 C ARG A 106 -1.669 -7.172 -0.693 1.00 0.00 C ATOM 1566 O ARG A 106 -0.584 -6.599 -0.657 1.00 0.00 O ATOM 1567 CB ARG A 106 -4.125 -6.837 -0.784 1.00 0.00 C ATOM 1568 CG ARG A 106 -4.933 -8.170 -0.830 1.00 0.00 C ATOM 1569 CD ARG A 106 -5.814 -8.425 0.391 1.00 0.00 C ATOM 1570 NE ARG A 106 -6.533 -9.744 0.255 1.00 0.00 N ATOM 1571 CZ ARG A 106 -7.626 -9.960 -0.544 1.00 0.00 C ATOM 1572 NH1 ARG A 106 -8.162 -8.962 -1.304 1.00 0.00 N ATOM 1573 NH2 ARG A 106 -8.185 -11.206 -0.584 1.00 0.00 N ATOM 0 H ARG A 106 -4.171 -7.665 -2.922 1.00 0.00 H new ATOM 0 HA ARG A 106 -2.465 -5.897 -2.120 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -3.858 -6.629 0.252 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -4.774 -6.026 -1.115 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -5.562 -8.167 -1.720 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.234 -8.999 -0.936 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -5.203 -8.428 1.294 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -6.539 -7.618 0.499 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.180 -10.533 0.797 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -7.749 -8.029 -1.286 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -8.976 -9.148 -1.890 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -7.789 -11.961 -0.024 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -8.998 -11.381 -1.174 1.00 0.00 H new ATOM 1587 N MET A 107 -1.912 -8.252 0.048 1.00 0.00 N ATOM 1588 CA MET A 107 -1.086 -8.863 1.044 1.00 0.00 C ATOM 1589 C MET A 107 0.119 -9.642 0.470 1.00 0.00 C ATOM 1590 O MET A 107 1.005 -10.035 1.226 1.00 0.00 O ATOM 1591 CB MET A 107 -2.100 -9.635 1.924 1.00 0.00 C ATOM 1592 CG MET A 107 -2.707 -10.833 1.157 1.00 0.00 C ATOM 1593 SD MET A 107 -4.172 -11.560 1.942 1.00 0.00 S ATOM 1594 CE MET A 107 -3.279 -12.429 3.260 1.00 0.00 C ATOM 0 H MET A 107 -2.789 -8.761 -0.060 1.00 0.00 H new ATOM 0 HA MET A 107 -0.530 -8.155 1.658 1.00 0.00 H new ATOM 0 HB2 MET A 107 -1.605 -9.991 2.827 1.00 0.00 H new ATOM 0 HB3 MET A 107 -2.896 -8.962 2.242 1.00 0.00 H new ATOM 0 HG2 MET A 107 -2.972 -10.508 0.151 1.00 0.00 H new ATOM 0 HG3 MET A 107 -1.945 -11.605 1.052 1.00 0.00 H new ATOM 0 HE1 MET A 107 -3.982 -13.021 3.847 1.00 0.00 H new ATOM 0 HE2 MET A 107 -2.530 -13.087 2.819 1.00 0.00 H new ATOM 0 HE3 MET A 107 -2.788 -11.702 3.907 1.00 0.00 H new ATOM 1604 N ALA A 108 0.237 -9.821 -0.902 1.00 0.00 N ATOM 1605 CA ALA A 108 1.416 -10.400 -1.545 1.00 0.00 C ATOM 1606 C ALA A 108 2.402 -9.386 -2.064 1.00 0.00 C ATOM 1607 O ALA A 108 3.533 -9.720 -2.404 1.00 0.00 O ATOM 1608 CB ALA A 108 1.055 -11.414 -2.684 1.00 0.00 C ATOM 0 H ALA A 108 -0.497 -9.559 -1.560 1.00 0.00 H new ATOM 0 HA ALA A 108 1.906 -10.941 -0.735 1.00 0.00 H new ATOM 0 HB1 ALA A 108 1.971 -11.810 -3.123 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.468 -12.233 -2.269 1.00 0.00 H new ATOM 0 HB3 ALA A 108 0.474 -10.905 -3.454 1.00 0.00 H new ATOM 1614 N VAL A 109 1.966 -8.126 -2.179 1.00 0.00 N ATOM 1615 CA VAL A 109 2.708 -6.960 -2.630 1.00 0.00 C ATOM 1616 C VAL A 109 2.685 -5.805 -1.689 1.00 0.00 C ATOM 1617 O VAL A 109 1.674 -5.133 -1.467 1.00 0.00 O ATOM 1618 CB VAL A 109 2.672 -6.548 -4.090 1.00 0.00 C ATOM 1619 CG1 VAL A 109 4.147 -6.490 -4.535 1.00 0.00 C ATOM 1620 CG2 VAL A 109 1.768 -7.528 -4.836 1.00 0.00 C ATOM 0 H VAL A 109 1.005 -7.884 -1.937 1.00 0.00 H new ATOM 0 HA VAL A 109 3.703 -7.403 -2.593 1.00 0.00 H new ATOM 0 HB VAL A 109 2.238 -5.570 -4.297 1.00 0.00 H new ATOM 0 HG11 VAL A 109 4.199 -6.198 -5.584 1.00 0.00 H new ATOM 0 HG12 VAL A 109 4.682 -5.760 -3.928 1.00 0.00 H new ATOM 0 HG13 VAL A 109 4.604 -7.471 -4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.725 -7.253 -5.890 1.00 0.00 H new ATOM 0 HG22 VAL A 109 2.168 -8.537 -4.740 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.765 -7.493 -4.411 1.00 0.00 H new ATOM 1630 N ILE A 110 3.881 -5.571 -1.151 1.00 0.00 N ATOM 1631 CA ILE A 110 4.187 -4.527 -0.187 1.00 0.00 C ATOM 1632 C ILE A 110 5.437 -3.716 -0.502 1.00 0.00 C ATOM 1633 O ILE A 110 6.185 -3.967 -1.445 1.00 0.00 O ATOM 1634 CB ILE A 110 4.327 -5.072 1.241 1.00 0.00 C ATOM 1635 CG1 ILE A 110 5.450 -6.094 1.513 1.00 0.00 C ATOM 1636 CG2 ILE A 110 2.978 -5.690 1.687 1.00 0.00 C ATOM 1637 CD1 ILE A 110 5.443 -7.355 0.656 1.00 0.00 C ATOM 0 H ILE A 110 4.698 -6.133 -1.390 1.00 0.00 H new ATOM 0 HA ILE A 110 3.326 -3.863 -0.261 1.00 0.00 H new ATOM 0 HB ILE A 110 4.617 -4.195 1.820 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.408 -5.593 1.375 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.394 -6.392 2.560 1.00 0.00 H new ATOM 0 HG21 ILE A 110 3.073 -6.078 2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.202 -4.925 1.663 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.709 -6.502 1.011 1.00 0.00 H new ATOM 0 HD11 ILE A 110 6.279 -7.993 0.941 1.00 0.00 H new ATOM 0 HD12 ILE A 110 4.507 -7.893 0.808 1.00 0.00 H new ATOM 0 HD13 ILE A 110 5.537 -7.081 -0.395 1.00 0.00 H new ATOM 1649 N LEU A 111 5.714 -2.735 0.392 1.00 0.00 N ATOM 1650 CA LEU A 111 6.912 -1.885 0.412 1.00 0.00 C ATOM 1651 C LEU A 111 7.434 -1.756 1.870 1.00 0.00 C ATOM 1652 O LEU A 111 6.734 -2.162 2.802 1.00 0.00 O ATOM 1653 CB LEU A 111 6.594 -0.514 -0.272 1.00 0.00 C ATOM 1654 CG LEU A 111 5.518 0.292 0.457 1.00 0.00 C ATOM 1655 CD1 LEU A 111 6.126 1.192 1.503 1.00 0.00 C ATOM 1656 CD2 LEU A 111 4.540 1.133 -0.338 1.00 0.00 C ATOM 0 H LEU A 111 5.072 -2.511 1.152 1.00 0.00 H new ATOM 0 HA LEU A 111 7.720 -2.335 -0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 111 7.508 0.078 -0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 111 6.271 -0.694 -1.297 1.00 0.00 H new ATOM 0 HG LEU A 111 4.916 -0.523 0.858 1.00 0.00 H new ATOM 0 HD11 LEU A 111 5.337 1.752 2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 111 6.663 0.588 2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 111 6.818 1.887 1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 111 3.852 1.633 0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.087 1.880 -0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 111 3.977 0.492 -1.017 1.00 0.00 H new ATOM 1668 N SER A 112 8.651 -1.168 2.127 1.00 0.00 N ATOM 1669 CA SER A 112 9.154 -0.833 3.494 1.00 0.00 C ATOM 1670 C SER A 112 9.226 0.709 3.731 1.00 0.00 C ATOM 1671 O SER A 112 8.963 1.479 2.817 1.00 0.00 O ATOM 1672 CB SER A 112 10.484 -1.568 3.844 1.00 0.00 C ATOM 1673 OG SER A 112 10.772 -1.548 5.247 1.00 0.00 O ATOM 0 H SER A 112 9.306 -0.916 1.387 1.00 0.00 H new ATOM 0 HA SER A 112 8.417 -1.216 4.200 1.00 0.00 H new ATOM 0 HB2 SER A 112 10.424 -2.602 3.504 1.00 0.00 H new ATOM 0 HB3 SER A 112 11.306 -1.101 3.301 1.00 0.00 H new ATOM 0 HG SER A 112 9.938 -1.443 5.751 1.00 0.00 H new ATOM 1679 N LEU A 113 9.570 1.254 4.948 1.00 0.00 N ATOM 1680 CA LEU A 113 9.542 2.718 5.268 1.00 0.00 C ATOM 1681 C LEU A 113 10.660 3.543 4.815 1.00 0.00 C ATOM 1682 O LEU A 113 10.623 4.755 4.861 1.00 0.00 O ATOM 1683 CB LEU A 113 9.234 3.107 6.708 1.00 0.00 C ATOM 1684 CG LEU A 113 10.309 3.233 7.827 1.00 0.00 C ATOM 1685 CD1 LEU A 113 9.602 3.572 9.151 1.00 0.00 C ATOM 1686 CD2 LEU A 113 11.223 2.009 8.050 1.00 0.00 C ATOM 0 H LEU A 113 9.875 0.681 5.735 1.00 0.00 H new ATOM 0 HA LEU A 113 8.680 2.950 4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.730 4.072 6.661 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.503 2.383 7.069 1.00 0.00 H new ATOM 0 HG LEU A 113 10.981 4.020 7.483 1.00 0.00 H new ATOM 0 HD11 LEU A 113 10.342 3.664 9.946 1.00 0.00 H new ATOM 0 HD12 LEU A 113 9.064 4.514 9.045 1.00 0.00 H new ATOM 0 HD13 LEU A 113 8.898 2.778 9.401 1.00 0.00 H new ATOM 0 HD21 LEU A 113 11.927 2.222 8.854 1.00 0.00 H new ATOM 0 HD22 LEU A 113 10.615 1.145 8.319 1.00 0.00 H new ATOM 0 HD23 LEU A 113 11.773 1.794 7.134 1.00 0.00 H new ATOM 1698 N GLU A 114 11.678 2.910 4.261 1.00 0.00 N ATOM 1699 CA GLU A 114 12.686 3.657 3.459 1.00 0.00 C ATOM 1700 C GLU A 114 12.188 3.984 2.044 1.00 0.00 C ATOM 1701 O GLU A 114 12.524 5.001 1.448 1.00 0.00 O ATOM 1702 CB GLU A 114 14.154 3.209 3.430 1.00 0.00 C ATOM 1703 CG GLU A 114 15.005 4.491 3.243 1.00 0.00 C ATOM 1704 CD GLU A 114 16.482 4.150 3.100 1.00 0.00 C ATOM 1705 OE1 GLU A 114 17.044 3.534 4.045 1.00 0.00 O ATOM 1706 OE2 GLU A 114 17.074 4.503 2.045 1.00 0.00 O ATOM 0 H GLU A 114 11.845 1.907 4.336 1.00 0.00 H new ATOM 0 HA GLU A 114 12.755 4.551 4.078 1.00 0.00 H new ATOM 0 HB2 GLU A 114 14.421 2.698 4.355 1.00 0.00 H new ATOM 0 HB3 GLU A 114 14.328 2.506 2.616 1.00 0.00 H new ATOM 0 HG2 GLU A 114 14.666 5.031 2.359 1.00 0.00 H new ATOM 0 HG3 GLU A 114 14.862 5.154 4.096 1.00 0.00 H new ATOM 1713 N GLN A 115 11.233 3.160 1.540 1.00 0.00 N ATOM 1714 CA GLN A 115 10.434 3.447 0.362 1.00 0.00 C ATOM 1715 C GLN A 115 9.271 4.352 0.809 1.00 0.00 C ATOM 1716 O GLN A 115 8.905 5.311 0.134 1.00 0.00 O ATOM 1717 CB GLN A 115 9.930 2.168 -0.339 1.00 0.00 C ATOM 1718 CG GLN A 115 11.052 1.266 -0.883 1.00 0.00 C ATOM 1719 CD GLN A 115 10.420 -0.045 -1.348 1.00 0.00 C ATOM 1720 OE1 GLN A 115 9.963 -0.804 -0.484 1.00 0.00 O ATOM 1721 NE2 GLN A 115 10.362 -0.310 -2.677 1.00 0.00 N ATOM 0 H GLN A 115 11.007 2.261 1.966 1.00 0.00 H new ATOM 0 HA GLN A 115 11.047 3.953 -0.384 1.00 0.00 H new ATOM 0 HB2 GLN A 115 9.327 1.595 0.365 1.00 0.00 H new ATOM 0 HB3 GLN A 115 9.275 2.452 -1.163 1.00 0.00 H new ATOM 0 HG2 GLN A 115 11.567 1.755 -1.710 1.00 0.00 H new ATOM 0 HG3 GLN A 115 11.797 1.077 -0.110 1.00 0.00 H new ATOM 0 HE21 GLN A 115 10.755 0.351 -3.347 1.00 0.00 H new ATOM 0 HE22 GLN A 115 9.925 -1.171 -3.007 1.00 0.00 H new ATOM 1730 N GLY A 116 8.702 4.152 2.039 1.00 0.00 N ATOM 1731 CA GLY A 116 7.733 5.029 2.705 1.00 0.00 C ATOM 1732 C GLY A 116 8.252 6.435 2.877 1.00 0.00 C ATOM 1733 O GLY A 116 7.652 7.363 2.373 1.00 0.00 O ATOM 0 H GLY A 116 8.929 3.333 2.603 1.00 0.00 H new ATOM 0 HA2 GLY A 116 6.811 5.054 2.125 1.00 0.00 H new ATOM 0 HA3 GLY A 116 7.484 4.615 3.682 1.00 0.00 H new ATOM 1737 N ASN A 117 9.475 6.611 3.437 1.00 0.00 N ATOM 1738 CA ASN A 117 10.198 7.884 3.543 1.00 0.00 C ATOM 1739 C ASN A 117 10.778 8.376 2.219 1.00 0.00 C ATOM 1740 O ASN A 117 11.225 9.516 2.122 1.00 0.00 O ATOM 1741 CB ASN A 117 11.337 7.893 4.599 1.00 0.00 C ATOM 1742 CG ASN A 117 10.723 7.758 5.989 1.00 0.00 C ATOM 1743 OD1 ASN A 117 9.882 8.565 6.377 1.00 0.00 O ATOM 1744 ND2 ASN A 117 11.145 6.739 6.769 1.00 0.00 N ATOM 0 H ASN A 117 9.997 5.833 3.840 1.00 0.00 H new ATOM 0 HA ASN A 117 9.413 8.566 3.871 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.031 7.073 4.412 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.910 8.818 4.528 1.00 0.00 H new ATOM 0 HD21 ASN A 117 10.764 6.624 7.708 1.00 0.00 H new ATOM 0 HD22 ASN A 117 11.845 6.085 6.419 1.00 0.00 H new ATOM 1751 N ARG A 118 10.751 7.542 1.123 1.00 0.00 N ATOM 1752 CA ARG A 118 11.190 7.943 -0.214 1.00 0.00 C ATOM 1753 C ARG A 118 10.129 8.881 -0.823 1.00 0.00 C ATOM 1754 O ARG A 118 10.399 9.949 -1.365 1.00 0.00 O ATOM 1755 CB ARG A 118 11.464 6.823 -1.298 1.00 0.00 C ATOM 1756 CG ARG A 118 10.367 6.351 -2.316 1.00 0.00 C ATOM 1757 CD ARG A 118 10.969 5.812 -3.614 1.00 0.00 C ATOM 1758 NE ARG A 118 11.658 4.501 -3.343 1.00 0.00 N ATOM 1759 CZ ARG A 118 12.149 3.704 -4.343 1.00 0.00 C ATOM 1760 NH1 ARG A 118 12.028 4.071 -5.652 1.00 0.00 N ATOM 1761 NH2 ARG A 118 12.763 2.526 -4.028 1.00 0.00 N ATOM 0 H ARG A 118 10.420 6.578 1.169 1.00 0.00 H new ATOM 0 HA ARG A 118 12.164 8.389 -0.015 1.00 0.00 H new ATOM 0 HB2 ARG A 118 12.314 7.163 -1.890 1.00 0.00 H new ATOM 0 HB3 ARG A 118 11.788 5.935 -0.755 1.00 0.00 H new ATOM 0 HG2 ARG A 118 9.755 5.576 -1.853 1.00 0.00 H new ATOM 0 HG3 ARG A 118 9.705 7.186 -2.545 1.00 0.00 H new ATOM 0 HD2 ARG A 118 10.187 5.676 -4.361 1.00 0.00 H new ATOM 0 HD3 ARG A 118 11.679 6.530 -4.023 1.00 0.00 H new ATOM 0 HE ARG A 118 11.763 4.194 -2.376 1.00 0.00 H new ATOM 0 HH11 ARG A 118 11.568 4.948 -5.895 1.00 0.00 H new ATOM 0 HH12 ARG A 118 12.398 3.468 -6.387 1.00 0.00 H new ATOM 0 HH21 ARG A 118 12.854 2.243 -3.052 1.00 0.00 H new ATOM 0 HH22 ARG A 118 13.131 1.928 -4.768 1.00 0.00 H new ATOM 1775 N LEU A 119 8.858 8.358 -0.745 1.00 0.00 N ATOM 1776 CA LEU A 119 7.586 8.789 -1.302 1.00 0.00 C ATOM 1777 C LEU A 119 6.922 9.766 -0.425 1.00 0.00 C ATOM 1778 O LEU A 119 6.211 10.630 -0.931 1.00 0.00 O ATOM 1779 CB LEU A 119 6.650 7.570 -1.646 1.00 0.00 C ATOM 1780 CG LEU A 119 5.198 7.910 -2.088 1.00 0.00 C ATOM 1781 CD1 LEU A 119 4.509 6.803 -2.872 1.00 0.00 C ATOM 1782 CD2 LEU A 119 4.190 8.155 -0.978 1.00 0.00 C ATOM 0 H LEU A 119 8.717 7.503 -0.206 1.00 0.00 H new ATOM 0 HA LEU A 119 7.798 9.293 -2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 119 7.122 6.992 -2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 119 6.597 6.923 -0.770 1.00 0.00 H new ATOM 0 HG LEU A 119 5.408 8.812 -2.662 1.00 0.00 H new ATOM 0 HD11 LEU A 119 3.502 7.121 -3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 119 5.077 6.591 -3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 119 4.454 5.903 -2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.217 8.382 -1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 119 4.110 7.264 -0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 119 4.519 8.996 -0.367 1.00 0.00 H new ATOM 1794 N ARG A 120 7.087 9.664 0.913 1.00 0.00 N ATOM 1795 CA ARG A 120 6.388 10.415 1.933 1.00 0.00 C ATOM 1796 C ARG A 120 6.173 11.921 1.782 1.00 0.00 C ATOM 1797 O ARG A 120 5.133 12.459 2.144 1.00 0.00 O ATOM 1798 CB ARG A 120 7.138 10.139 3.314 1.00 0.00 C ATOM 1799 CG ARG A 120 6.939 11.137 4.486 1.00 0.00 C ATOM 1800 CD ARG A 120 7.431 10.606 5.843 1.00 0.00 C ATOM 1801 NE ARG A 120 6.782 11.381 6.962 1.00 0.00 N ATOM 1802 CZ ARG A 120 7.190 12.619 7.388 1.00 0.00 C ATOM 1803 NH1 ARG A 120 8.287 13.226 6.850 1.00 0.00 N ATOM 1804 NH2 ARG A 120 6.483 13.251 8.371 1.00 0.00 N ATOM 0 H ARG A 120 7.758 9.009 1.315 1.00 0.00 H new ATOM 0 HA ARG A 120 5.365 10.046 1.855 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.832 9.153 3.664 1.00 0.00 H new ATOM 0 HB3 ARG A 120 8.206 10.085 3.104 1.00 0.00 H new ATOM 0 HG2 ARG A 120 7.466 12.063 4.256 1.00 0.00 H new ATOM 0 HG3 ARG A 120 5.880 11.384 4.565 1.00 0.00 H new ATOM 0 HD2 ARG A 120 7.193 9.546 5.937 1.00 0.00 H new ATOM 0 HD3 ARG A 120 8.515 10.696 5.907 1.00 0.00 H new ATOM 0 HE ARG A 120 5.985 10.955 7.435 1.00 0.00 H new ATOM 0 HH11 ARG A 120 8.820 12.759 6.117 1.00 0.00 H new ATOM 0 HH12 ARG A 120 8.574 14.147 7.181 1.00 0.00 H new ATOM 0 HH21 ARG A 120 5.663 12.802 8.779 1.00 0.00 H new ATOM 0 HH22 ARG A 120 6.775 14.172 8.698 1.00 0.00 H new ATOM 1818 N GLU A 121 7.179 12.601 1.193 1.00 0.00 N ATOM 1819 CA GLU A 121 7.231 14.015 0.903 1.00 0.00 C ATOM 1820 C GLU A 121 6.656 14.375 -0.471 1.00 0.00 C ATOM 1821 O GLU A 121 6.269 15.519 -0.703 1.00 0.00 O ATOM 1822 CB GLU A 121 8.719 14.466 1.016 1.00 0.00 C ATOM 1823 CG GLU A 121 9.723 13.592 0.230 1.00 0.00 C ATOM 1824 CD GLU A 121 11.131 14.169 0.376 1.00 0.00 C ATOM 1825 OE1 GLU A 121 11.639 14.209 1.528 1.00 0.00 O ATOM 1826 OE2 GLU A 121 11.720 14.572 -0.664 1.00 0.00 O ATOM 0 H GLU A 121 8.029 12.124 0.893 1.00 0.00 H new ATOM 0 HA GLU A 121 6.604 14.540 1.623 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.800 15.494 0.663 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.005 14.466 2.068 1.00 0.00 H new ATOM 0 HG2 GLU A 121 9.698 12.568 0.603 1.00 0.00 H new ATOM 0 HG3 GLU A 121 9.442 13.555 -0.822 1.00 0.00 H new ATOM 1833 N GLN A 122 6.624 13.399 -1.423 1.00 0.00 N ATOM 1834 CA GLN A 122 6.218 13.547 -2.807 1.00 0.00 C ATOM 1835 C GLN A 122 4.834 12.990 -3.109 1.00 0.00 C ATOM 1836 O GLN A 122 4.094 13.665 -3.826 1.00 0.00 O ATOM 1837 CB GLN A 122 7.313 13.034 -3.812 1.00 0.00 C ATOM 1838 CG GLN A 122 7.861 11.601 -3.581 1.00 0.00 C ATOM 1839 CD GLN A 122 9.059 11.253 -4.494 1.00 0.00 C ATOM 1840 OE1 GLN A 122 8.979 11.205 -5.727 1.00 0.00 O ATOM 1841 NE2 GLN A 122 10.225 10.978 -3.859 1.00 0.00 N ATOM 0 H GLN A 122 6.901 12.441 -1.208 1.00 0.00 H new ATOM 0 HA GLN A 122 6.127 14.622 -2.965 1.00 0.00 H new ATOM 0 HB2 GLN A 122 6.898 13.080 -4.819 1.00 0.00 H new ATOM 0 HB3 GLN A 122 8.153 13.728 -3.781 1.00 0.00 H new ATOM 0 HG2 GLN A 122 8.165 11.499 -2.539 1.00 0.00 H new ATOM 0 HG3 GLN A 122 7.061 10.881 -3.752 1.00 0.00 H new ATOM 0 HE21 GLN A 122 10.274 11.022 -2.841 1.00 0.00 H new ATOM 0 HE22 GLN A 122 11.053 10.727 -4.399 1.00 0.00 H new ATOM 1850 N TYR A 123 4.417 11.766 -2.627 1.00 0.00 N ATOM 1851 CA TYR A 123 3.085 11.273 -3.065 1.00 0.00 C ATOM 1852 C TYR A 123 2.129 10.777 -1.993 1.00 0.00 C ATOM 1853 O TYR A 123 1.114 10.210 -2.387 1.00 0.00 O ATOM 1854 CB TYR A 123 3.115 10.139 -4.168 1.00 0.00 C ATOM 1855 CG TYR A 123 4.162 10.349 -5.222 1.00 0.00 C ATOM 1856 CD1 TYR A 123 4.180 11.438 -6.075 1.00 0.00 C ATOM 1857 CD2 TYR A 123 5.179 9.430 -5.324 1.00 0.00 C ATOM 1858 CE1 TYR A 123 5.227 11.608 -6.963 1.00 0.00 C ATOM 1859 CE2 TYR A 123 6.243 9.612 -6.159 1.00 0.00 C ATOM 1860 CZ TYR A 123 6.272 10.706 -6.999 1.00 0.00 C ATOM 1861 OH TYR A 123 7.409 10.966 -7.792 1.00 0.00 O ATOM 0 H TYR A 123 4.939 11.160 -1.993 1.00 0.00 H new ATOM 0 HA TYR A 123 2.707 12.214 -3.466 1.00 0.00 H new ATOM 0 HB2 TYR A 123 3.288 9.178 -3.684 1.00 0.00 H new ATOM 0 HB3 TYR A 123 2.137 10.084 -4.646 1.00 0.00 H new ATOM 0 HD1 TYR A 123 3.375 12.157 -6.048 1.00 0.00 H new ATOM 0 HD2 TYR A 123 5.135 8.534 -4.723 1.00 0.00 H new ATOM 0 HE1 TYR A 123 5.227 12.454 -7.634 1.00 0.00 H new ATOM 0 HE2 TYR A 123 7.058 8.903 -6.162 1.00 0.00 H new ATOM 0 HH TYR A 123 8.218 10.850 -7.251 1.00 0.00 H new ATOM 1871 N GLY A 124 2.343 10.869 -0.642 1.00 0.00 N ATOM 1872 CA GLY A 124 1.357 10.223 0.167 1.00 0.00 C ATOM 1873 C GLY A 124 1.933 10.139 1.506 1.00 0.00 C ATOM 1874 O GLY A 124 1.423 10.829 2.376 1.00 0.00 O ATOM 0 H GLY A 124 3.113 11.339 -0.166 1.00 0.00 H new ATOM 0 HA2 GLY A 124 0.426 10.790 0.177 1.00 0.00 H new ATOM 0 HA3 GLY A 124 1.122 9.232 -0.220 1.00 0.00 H new ATOM 1878 N LEU A 125 3.001 9.298 1.705 1.00 0.00 N ATOM 1879 CA LEU A 125 3.547 8.710 2.946 1.00 0.00 C ATOM 1880 C LEU A 125 3.824 9.545 4.189 1.00 0.00 C ATOM 1881 O LEU A 125 4.372 9.064 5.177 1.00 0.00 O ATOM 1882 CB LEU A 125 4.627 7.560 2.739 1.00 0.00 C ATOM 1883 CG LEU A 125 4.135 6.142 2.990 1.00 0.00 C ATOM 1884 CD1 LEU A 125 3.213 6.016 4.204 1.00 0.00 C ATOM 1885 CD2 LEU A 125 3.603 5.480 1.717 1.00 0.00 C ATOM 0 H LEU A 125 3.550 8.991 0.902 1.00 0.00 H new ATOM 0 HA LEU A 125 2.593 8.276 3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 125 5.003 7.619 1.718 1.00 0.00 H new ATOM 0 HB3 LEU A 125 5.471 7.755 3.401 1.00 0.00 H new ATOM 0 HG LEU A 125 5.011 5.559 3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 125 2.903 4.977 4.319 1.00 0.00 H new ATOM 0 HD12 LEU A 125 3.745 6.338 5.100 1.00 0.00 H new ATOM 0 HD13 LEU A 125 2.333 6.643 4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 125 3.264 4.470 1.947 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.769 6.063 1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 125 4.397 5.435 0.971 1.00 0.00 H new ATOM 1897 N GLY A 126 3.305 10.787 4.240 1.00 0.00 N ATOM 1898 CA GLY A 126 3.163 11.441 5.546 1.00 0.00 C ATOM 1899 C GLY A 126 2.646 12.857 5.642 1.00 0.00 C ATOM 1900 O GLY A 126 3.483 13.756 5.602 1.00 0.00 O ATOM 0 H GLY A 126 2.993 11.331 3.435 1.00 0.00 H new ATOM 0 HA2 GLY A 126 2.504 10.816 6.149 1.00 0.00 H new ATOM 0 HA3 GLY A 126 4.143 11.423 6.023 1.00 0.00 H new ATOM 1904 N PRO A 127 1.346 13.215 5.826 1.00 0.00 N ATOM 1905 CA PRO A 127 0.934 14.593 6.138 1.00 0.00 C ATOM 1906 C PRO A 127 1.063 14.925 7.649 1.00 0.00 C ATOM 1907 O PRO A 127 0.880 16.078 8.024 1.00 0.00 O ATOM 1908 CB PRO A 127 -0.548 14.578 5.717 1.00 0.00 C ATOM 1909 CG PRO A 127 -1.033 13.186 6.139 1.00 0.00 C ATOM 1910 CD PRO A 127 0.194 12.301 5.824 1.00 0.00 C ATOM 0 HA PRO A 127 1.547 15.343 5.638 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -1.113 15.366 6.214 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -0.661 14.733 4.644 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -1.299 13.151 7.195 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -1.914 12.875 5.578 1.00 0.00 H new ATOM 0 HD2 PRO A 127 0.314 11.516 6.571 1.00 0.00 H new ATOM 0 HD3 PRO A 127 0.085 11.808 4.858 1.00 0.00 H new