USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 953 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 21 GLN : amide:sc= 0.0412 X(o=0.052,f=0.43) USER MOD Set 1.2: A 90 TYR OH : rot 78:sc= 0.0105 USER MOD Single : A 10 GLN : amide:sc= -1.74 X(o=-1.7,f=-1.7) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.785 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -79:sc= 0.282 USER MOD Single : A 29 SER OG : rot 98:sc= -0.0235 USER MOD Single : A 37 LYS NZ :NH3+ -168:sc= -0.0244 (180deg=-0.231) USER MOD Single : A 38 TYR OH : rot -130:sc= -2.33! USER MOD Single : A 39 ASN : amide:sc= -0.894 K(o=-0.89,f=-0.19) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0403 K(o=-0.04,f=-1.4!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.538 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 103:sc= -1.32 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.0174 X(o=-0.017,f=-0.087) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0352) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= -0.0601 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0.0368 USER MOD Single : A 87 MET CE :methyl 155:sc= -0.57 (180deg=-1.53) USER MOD Single : A 88 THR OG1 : rot 105:sc= 1.23 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= -0.321 X(o=-0.32,f=-0.087) USER MOD Single : A 94 LYS NZ :NH3+ -108:sc= -0.719 (180deg=-3.78!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.0466 X(o=-0.047,f=-0.34) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.315 X(o=-0.32,f=-0.29) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.0396 K(o=-0.04,f=-1.6!) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 4 2.027 -3.132 -9.942 1.00 41.22 N ATOM 58 CA GLY A 4 2.211 -4.056 -11.045 1.00 60.35 C ATOM 59 C GLY A 4 0.896 -4.568 -11.599 1.00 12.40 C ATOM 60 O GLY A 4 0.854 -5.605 -12.263 1.00 12.55 O ATOM 0 HA2 GLY A 4 2.768 -3.561 -11.840 1.00 60.35 H new ATOM 0 HA3 GLY A 4 2.814 -4.900 -10.711 1.00 60.35 H new ATOM 64 N LEU A 5 -0.182 -3.841 -11.325 1.00 42.53 N ATOM 65 CA LEU A 5 -1.506 -4.227 -11.799 1.00 72.13 C ATOM 66 C LEU A 5 -2.261 -3.021 -12.349 1.00 34.22 C ATOM 67 O LEU A 5 -1.938 -1.877 -12.031 1.00 31.43 O ATOM 68 CB LEU A 5 -2.307 -4.872 -10.666 1.00 41.35 C ATOM 69 CG LEU A 5 -2.247 -6.398 -10.586 1.00 54.44 C ATOM 70 CD1 LEU A 5 -2.751 -7.020 -11.879 1.00 64.05 C ATOM 71 CD2 LEU A 5 -0.830 -6.861 -10.286 1.00 5.04 C ATOM 0 H LEU A 5 -0.165 -2.981 -10.777 1.00 42.53 H new ATOM 0 HA LEU A 5 -1.380 -4.951 -12.604 1.00 72.13 H new ATOM 0 HB2 LEU A 5 -1.952 -4.464 -9.719 1.00 41.35 H new ATOM 0 HB3 LEU A 5 -3.350 -4.574 -10.770 1.00 41.35 H new ATOM 0 HG LEU A 5 -2.894 -6.726 -9.773 1.00 54.44 H new ATOM 0 HD11 LEU A 5 -2.701 -8.106 -11.804 1.00 64.05 H new ATOM 0 HD12 LEU A 5 -3.783 -6.715 -12.051 1.00 64.05 H new ATOM 0 HD13 LEU A 5 -2.130 -6.685 -12.710 1.00 64.05 H new ATOM 0 HD21 LEU A 5 -0.806 -7.949 -10.233 1.00 5.04 H new ATOM 0 HD22 LEU A 5 -0.161 -6.522 -11.077 1.00 5.04 H new ATOM 0 HD23 LEU A 5 -0.505 -6.444 -9.333 1.00 5.04 H new ATOM 83 N GLU A 6 -3.270 -3.286 -13.174 1.00 22.35 N ATOM 84 CA GLU A 6 -4.072 -2.222 -13.766 1.00 5.14 C ATOM 85 C GLU A 6 -5.403 -2.073 -13.035 1.00 2.33 C ATOM 86 O GLU A 6 -6.099 -3.057 -12.784 1.00 60.04 O ATOM 87 CB GLU A 6 -4.320 -2.505 -15.249 1.00 33.24 C ATOM 88 CG GLU A 6 -3.176 -3.237 -15.929 1.00 22.33 C ATOM 89 CD GLU A 6 -3.284 -4.744 -15.792 1.00 5.32 C ATOM 90 OE1 GLU A 6 -4.150 -5.210 -15.023 1.00 4.45 O ATOM 91 OE2 GLU A 6 -2.501 -5.456 -16.455 1.00 31.42 O ATOM 0 H GLU A 6 -3.551 -4.228 -13.447 1.00 22.35 H new ATOM 0 HA GLU A 6 -3.518 -1.288 -13.670 1.00 5.14 H new ATOM 0 HB2 GLU A 6 -5.230 -3.097 -15.350 1.00 33.24 H new ATOM 0 HB3 GLU A 6 -4.495 -1.561 -15.766 1.00 33.24 H new ATOM 0 HG2 GLU A 6 -3.158 -2.972 -16.986 1.00 22.33 H new ATOM 0 HG3 GLU A 6 -2.231 -2.904 -15.501 1.00 22.33 H new ATOM 98 N ILE A 7 -5.749 -0.836 -12.695 1.00 50.31 N ATOM 99 CA ILE A 7 -6.996 -0.557 -11.994 1.00 31.33 C ATOM 100 C ILE A 7 -7.624 0.743 -12.483 1.00 43.42 C ATOM 101 O ILE A 7 -6.920 1.690 -12.836 1.00 33.35 O ATOM 102 CB ILE A 7 -6.778 -0.468 -10.472 1.00 31.03 C ATOM 103 CG1 ILE A 7 -5.369 0.043 -10.165 1.00 41.24 C ATOM 104 CG2 ILE A 7 -7.008 -1.825 -9.823 1.00 63.03 C ATOM 105 CD1 ILE A 7 -4.342 -1.059 -10.030 1.00 34.45 C ATOM 0 H ILE A 7 -5.183 -0.011 -12.894 1.00 50.31 H new ATOM 0 HA ILE A 7 -7.670 -1.386 -12.209 1.00 31.33 H new ATOM 0 HB ILE A 7 -7.498 0.238 -10.058 1.00 31.03 H new ATOM 0 HG12 ILE A 7 -5.058 0.724 -10.957 1.00 41.24 H new ATOM 0 HG13 ILE A 7 -5.394 0.620 -9.241 1.00 41.24 H new ATOM 0 HG21 ILE A 7 -6.850 -1.745 -8.747 1.00 63.03 H new ATOM 0 HG22 ILE A 7 -8.029 -2.152 -10.017 1.00 63.03 H new ATOM 0 HG23 ILE A 7 -6.309 -2.551 -10.240 1.00 63.03 H new ATOM 0 HD11 ILE A 7 -3.367 -0.623 -9.813 1.00 34.45 H new ATOM 0 HD12 ILE A 7 -4.630 -1.727 -9.218 1.00 34.45 H new ATOM 0 HD13 ILE A 7 -4.288 -1.622 -10.962 1.00 34.45 H new ATOM 117 N ALA A 8 -8.952 0.783 -12.501 1.00 1.23 N ATOM 118 CA ALA A 8 -9.675 1.969 -12.943 1.00 41.10 C ATOM 119 C ALA A 8 -10.539 2.535 -11.822 1.00 14.14 C ATOM 120 O ALA A 8 -11.073 1.790 -11.000 1.00 14.24 O ATOM 121 CB ALA A 8 -10.530 1.643 -14.158 1.00 53.03 C ATOM 0 H ALA A 8 -9.549 0.007 -12.214 1.00 1.23 H new ATOM 0 HA ALA A 8 -8.943 2.728 -13.220 1.00 41.10 H new ATOM 0 HB1 ALA A 8 -11.064 2.538 -14.477 1.00 53.03 H new ATOM 0 HB2 ALA A 8 -9.891 1.293 -14.969 1.00 53.03 H new ATOM 0 HB3 ALA A 8 -11.248 0.865 -13.899 1.00 53.03 H new ATOM 127 N PHE A 9 -10.673 3.857 -11.793 1.00 42.04 N ATOM 128 CA PHE A 9 -11.472 4.523 -10.771 1.00 44.12 C ATOM 129 C PHE A 9 -12.413 5.547 -11.398 1.00 41.43 C ATOM 130 O PHE A 9 -12.028 6.284 -12.306 1.00 75.33 O ATOM 131 CB PHE A 9 -10.562 5.208 -9.749 1.00 50.22 C ATOM 132 CG PHE A 9 -11.181 5.337 -8.387 1.00 14.01 C ATOM 133 CD1 PHE A 9 -11.751 4.238 -7.764 1.00 12.42 C ATOM 134 CD2 PHE A 9 -11.193 6.556 -7.729 1.00 53.43 C ATOM 135 CE1 PHE A 9 -12.322 4.355 -6.511 1.00 34.53 C ATOM 136 CE2 PHE A 9 -11.763 6.679 -6.476 1.00 22.43 C ATOM 137 CZ PHE A 9 -12.327 5.576 -5.865 1.00 72.23 C ATOM 0 H PHE A 9 -10.238 4.488 -12.466 1.00 42.04 H new ATOM 0 HA PHE A 9 -12.072 3.767 -10.264 1.00 44.12 H new ATOM 0 HB2 PHE A 9 -9.633 4.643 -9.665 1.00 50.22 H new ATOM 0 HB3 PHE A 9 -10.300 6.200 -10.116 1.00 50.22 H new ATOM 0 HD1 PHE A 9 -11.749 3.280 -8.263 1.00 12.42 H new ATOM 0 HD2 PHE A 9 -10.751 7.421 -8.201 1.00 53.43 H new ATOM 0 HE1 PHE A 9 -12.764 3.492 -6.037 1.00 34.53 H new ATOM 0 HE2 PHE A 9 -11.767 7.636 -5.975 1.00 22.43 H new ATOM 0 HZ PHE A 9 -12.771 5.668 -4.885 1.00 72.23 H new ATOM 147 N GLN A 10 -13.647 5.587 -10.907 1.00 32.41 N ATOM 148 CA GLN A 10 -14.644 6.519 -11.420 1.00 2.12 C ATOM 149 C GLN A 10 -14.930 7.622 -10.406 1.00 41.11 C ATOM 150 O GLN A 10 -14.974 7.376 -9.200 1.00 52.21 O ATOM 151 CB GLN A 10 -15.937 5.778 -11.764 1.00 11.23 C ATOM 152 CG GLN A 10 -16.055 5.410 -13.234 1.00 1.01 C ATOM 153 CD GLN A 10 -17.371 5.852 -13.843 1.00 0.24 C ATOM 154 OE1 GLN A 10 -18.299 5.056 -13.989 1.00 41.13 O ATOM 155 NE2 GLN A 10 -17.459 7.128 -14.201 1.00 20.13 N ATOM 0 H GLN A 10 -13.981 4.985 -10.154 1.00 32.41 H new ATOM 0 HA GLN A 10 -14.245 6.977 -12.325 1.00 2.12 H new ATOM 0 HB2 GLN A 10 -15.996 4.869 -11.165 1.00 11.23 H new ATOM 0 HB3 GLN A 10 -16.788 6.400 -11.484 1.00 11.23 H new ATOM 0 HG2 GLN A 10 -15.233 5.866 -13.786 1.00 1.01 H new ATOM 0 HG3 GLN A 10 -15.953 4.330 -13.344 1.00 1.01 H new ATOM 0 HE21 GLN A 10 -16.665 7.753 -14.062 1.00 20.13 H new ATOM 0 HE22 GLN A 10 -18.321 7.483 -14.615 1.00 20.13 H new ATOM 164 N THR A 11 -15.123 8.840 -10.903 1.00 14.13 N ATOM 165 CA THR A 11 -15.404 9.981 -10.041 1.00 4.33 C ATOM 166 C THR A 11 -16.246 11.024 -10.766 1.00 15.22 C ATOM 167 O THR A 11 -16.199 11.131 -11.992 1.00 33.43 O ATOM 168 CB THR A 11 -14.104 10.643 -9.544 1.00 71.13 C ATOM 169 OG1 THR A 11 -14.394 11.923 -8.971 1.00 61.23 O ATOM 170 CG2 THR A 11 -13.110 10.805 -10.684 1.00 41.32 C ATOM 0 H THR A 11 -15.090 9.061 -11.898 1.00 14.13 H new ATOM 0 HA THR A 11 -15.960 9.600 -9.185 1.00 4.33 H new ATOM 0 HB THR A 11 -13.661 9.998 -8.785 1.00 71.13 H new ATOM 0 HG1 THR A 11 -13.563 12.336 -8.656 1.00 61.23 H new ATOM 0 HG21 THR A 11 -12.200 11.274 -10.310 1.00 41.32 H new ATOM 0 HG22 THR A 11 -12.869 9.826 -11.099 1.00 41.32 H new ATOM 0 HG23 THR A 11 -13.547 11.431 -11.462 1.00 41.32 H new ATOM 178 N ILE A 12 -17.016 11.792 -10.001 1.00 60.34 N ATOM 179 CA ILE A 12 -17.868 12.828 -10.572 1.00 61.42 C ATOM 180 C ILE A 12 -18.201 13.897 -9.538 1.00 10.23 C ATOM 181 O ILE A 12 -18.278 15.082 -9.858 1.00 42.42 O ATOM 182 CB ILE A 12 -19.179 12.237 -11.124 1.00 41.33 C ATOM 183 CG1 ILE A 12 -19.683 11.117 -10.213 1.00 30.24 C ATOM 184 CG2 ILE A 12 -18.973 11.723 -12.541 1.00 62.40 C ATOM 185 CD1 ILE A 12 -20.548 11.608 -9.073 1.00 5.13 C ATOM 0 H ILE A 12 -17.067 11.716 -8.985 1.00 60.34 H new ATOM 0 HA ILE A 12 -17.309 13.280 -11.391 1.00 61.42 H new ATOM 0 HB ILE A 12 -19.932 13.024 -11.150 1.00 41.33 H new ATOM 0 HG12 ILE A 12 -20.252 10.403 -10.809 1.00 30.24 H new ATOM 0 HG13 ILE A 12 -18.827 10.580 -9.804 1.00 30.24 H new ATOM 0 HG21 ILE A 12 -19.908 11.308 -12.917 1.00 62.40 H new ATOM 0 HG22 ILE A 12 -18.656 12.544 -13.183 1.00 62.40 H new ATOM 0 HG23 ILE A 12 -18.207 10.947 -12.539 1.00 62.40 H new ATOM 0 HD11 ILE A 12 -20.869 10.760 -8.469 1.00 5.13 H new ATOM 0 HD12 ILE A 12 -19.976 12.299 -8.454 1.00 5.13 H new ATOM 0 HD13 ILE A 12 -21.423 12.120 -9.474 1.00 5.13 H new ATOM 237 N ASP A 16 -14.394 13.328 -4.157 1.00 71.12 N ATOM 238 CA ASP A 16 -13.639 12.318 -4.890 1.00 2.31 C ATOM 239 C ASP A 16 -12.302 12.879 -5.365 1.00 62.52 C ATOM 240 O ASP A 16 -11.275 12.205 -5.291 1.00 62.11 O ATOM 241 CB ASP A 16 -14.448 11.813 -6.085 1.00 71.12 C ATOM 242 CG ASP A 16 -15.611 10.935 -5.667 1.00 53.03 C ATOM 243 OD1 ASP A 16 -16.399 11.368 -4.801 1.00 33.21 O ATOM 244 OD2 ASP A 16 -15.733 9.815 -6.206 1.00 71.31 O ATOM 0 HA ASP A 16 -13.444 11.484 -4.216 1.00 2.31 H new ATOM 0 HB2 ASP A 16 -14.825 12.665 -6.651 1.00 71.12 H new ATOM 0 HB3 ASP A 16 -13.794 11.251 -6.752 1.00 71.12 H new ATOM 249 N GLU A 17 -12.324 14.115 -5.854 1.00 70.41 N ATOM 250 CA GLU A 17 -11.113 14.764 -6.343 1.00 74.33 C ATOM 251 C GLU A 17 -9.997 14.687 -5.305 1.00 74.23 C ATOM 252 O GLU A 17 -8.818 14.622 -5.650 1.00 64.13 O ATOM 253 CB GLU A 17 -11.398 16.225 -6.695 1.00 11.43 C ATOM 254 CG GLU A 17 -12.073 16.407 -8.044 1.00 64.31 C ATOM 255 CD GLU A 17 -12.224 17.865 -8.429 1.00 41.54 C ATOM 256 OE1 GLU A 17 -11.241 18.451 -8.931 1.00 73.10 O ATOM 257 OE2 GLU A 17 -13.324 18.422 -8.229 1.00 62.43 O ATOM 0 H GLU A 17 -13.166 14.686 -5.922 1.00 70.41 H new ATOM 0 HA GLU A 17 -10.787 14.239 -7.241 1.00 74.33 H new ATOM 0 HB2 GLU A 17 -12.030 16.660 -5.921 1.00 11.43 H new ATOM 0 HB3 GLU A 17 -10.460 16.781 -6.690 1.00 11.43 H new ATOM 0 HG2 GLU A 17 -11.492 15.891 -8.809 1.00 64.31 H new ATOM 0 HG3 GLU A 17 -13.057 15.938 -8.020 1.00 64.31 H new ATOM 264 N SER A 18 -10.380 14.695 -4.032 1.00 43.23 N ATOM 265 CA SER A 18 -9.412 14.631 -2.943 1.00 53.01 C ATOM 266 C SER A 18 -8.661 13.303 -2.961 1.00 52.13 C ATOM 267 O SER A 18 -7.435 13.269 -2.854 1.00 24.54 O ATOM 268 CB SER A 18 -10.115 14.814 -1.597 1.00 34.12 C ATOM 269 OG SER A 18 -10.776 16.066 -1.532 1.00 60.03 O ATOM 0 H SER A 18 -11.353 14.745 -3.730 1.00 43.23 H new ATOM 0 HA SER A 18 -8.692 15.437 -3.082 1.00 53.01 H new ATOM 0 HB2 SER A 18 -10.836 14.010 -1.448 1.00 34.12 H new ATOM 0 HB3 SER A 18 -9.386 14.742 -0.790 1.00 34.12 H new ATOM 0 HG SER A 18 -11.219 16.157 -0.662 1.00 60.03 H new ATOM 275 N LEU A 19 -9.406 12.212 -3.098 1.00 62.41 N ATOM 276 CA LEU A 19 -8.812 10.879 -3.131 1.00 10.54 C ATOM 277 C LEU A 19 -7.943 10.701 -4.371 1.00 62.13 C ATOM 278 O LEU A 19 -6.854 10.130 -4.303 1.00 10.55 O ATOM 279 CB LEU A 19 -9.906 9.811 -3.103 1.00 33.05 C ATOM 280 CG LEU A 19 -9.507 8.428 -3.618 1.00 73.21 C ATOM 281 CD1 LEU A 19 -8.350 7.868 -2.805 1.00 14.41 C ATOM 282 CD2 LEU A 19 -10.697 7.480 -3.578 1.00 52.11 C ATOM 0 H LEU A 19 -10.422 12.223 -3.188 1.00 62.41 H new ATOM 0 HA LEU A 19 -8.181 10.767 -2.249 1.00 10.54 H new ATOM 0 HB2 LEU A 19 -10.258 9.707 -2.077 1.00 33.05 H new ATOM 0 HB3 LEU A 19 -10.749 10.168 -3.695 1.00 33.05 H new ATOM 0 HG LEU A 19 -9.182 8.528 -4.653 1.00 73.21 H new ATOM 0 HD11 LEU A 19 -8.080 6.883 -3.186 1.00 14.41 H new ATOM 0 HD12 LEU A 19 -7.492 8.536 -2.885 1.00 14.41 H new ATOM 0 HD13 LEU A 19 -8.647 7.783 -1.760 1.00 14.41 H new ATOM 0 HD21 LEU A 19 -10.394 6.500 -3.948 1.00 52.11 H new ATOM 0 HD22 LEU A 19 -11.053 7.386 -2.552 1.00 52.11 H new ATOM 0 HD23 LEU A 19 -11.497 7.874 -4.205 1.00 52.11 H new ATOM 294 N VAL A 20 -8.430 11.194 -5.505 1.00 54.32 N ATOM 295 CA VAL A 20 -7.697 11.092 -6.761 1.00 42.51 C ATOM 296 C VAL A 20 -6.395 11.884 -6.703 1.00 53.32 C ATOM 297 O VAL A 20 -5.331 11.373 -7.050 1.00 51.14 O ATOM 298 CB VAL A 20 -8.540 11.598 -7.946 1.00 54.34 C ATOM 299 CG1 VAL A 20 -7.909 11.183 -9.267 1.00 13.43 C ATOM 300 CG2 VAL A 20 -9.968 11.082 -7.843 1.00 4.23 C ATOM 0 H VAL A 20 -9.330 11.668 -5.580 1.00 54.32 H new ATOM 0 HA VAL A 20 -7.471 10.036 -6.911 1.00 42.51 H new ATOM 0 HB VAL A 20 -8.568 12.687 -7.910 1.00 54.34 H new ATOM 0 HG11 VAL A 20 -8.519 11.550 -10.093 1.00 13.43 H new ATOM 0 HG12 VAL A 20 -6.907 11.606 -9.340 1.00 13.43 H new ATOM 0 HG13 VAL A 20 -7.848 10.096 -9.316 1.00 13.43 H new ATOM 0 HG21 VAL A 20 -10.550 11.449 -8.689 1.00 4.23 H new ATOM 0 HG22 VAL A 20 -9.963 9.992 -7.853 1.00 4.23 H new ATOM 0 HG23 VAL A 20 -10.416 11.434 -6.914 1.00 4.23 H new ATOM 310 N GLN A 21 -6.489 13.134 -6.262 1.00 2.43 N ATOM 311 CA GLN A 21 -5.318 13.997 -6.159 1.00 1.14 C ATOM 312 C GLN A 21 -4.385 13.518 -5.052 1.00 4.04 C ATOM 313 O GLN A 21 -3.174 13.731 -5.112 1.00 30.13 O ATOM 314 CB GLN A 21 -5.744 15.442 -5.893 1.00 35.25 C ATOM 315 CG GLN A 21 -6.202 15.688 -4.464 1.00 24.12 C ATOM 316 CD GLN A 21 -6.614 17.127 -4.223 1.00 23.35 C ATOM 317 OE1 GLN A 21 -5.902 17.887 -3.566 1.00 24.23 O ATOM 318 NE2 GLN A 21 -7.769 17.509 -4.754 1.00 30.00 N ATOM 0 H GLN A 21 -7.363 13.572 -5.970 1.00 2.43 H new ATOM 0 HA GLN A 21 -4.781 13.953 -7.107 1.00 1.14 H new ATOM 0 HB2 GLN A 21 -4.909 16.105 -6.117 1.00 35.25 H new ATOM 0 HB3 GLN A 21 -6.552 15.705 -6.575 1.00 35.25 H new ATOM 0 HG2 GLN A 21 -7.042 15.031 -4.237 1.00 24.12 H new ATOM 0 HG3 GLN A 21 -5.397 15.425 -3.778 1.00 24.12 H new ATOM 0 HE21 GLN A 21 -8.327 16.846 -5.291 1.00 30.00 H new ATOM 0 HE22 GLN A 21 -8.098 18.466 -4.625 1.00 30.00 H new ATOM 327 N ALA A 22 -4.956 12.870 -4.042 1.00 11.55 N ATOM 328 CA ALA A 22 -4.175 12.360 -2.922 1.00 20.22 C ATOM 329 C ALA A 22 -3.398 11.109 -3.320 1.00 1.55 C ATOM 330 O ALA A 22 -2.183 11.034 -3.128 1.00 74.23 O ATOM 331 CB ALA A 22 -5.082 12.065 -1.736 1.00 51.04 C ATOM 0 H ALA A 22 -5.957 12.686 -3.977 1.00 11.55 H new ATOM 0 HA ALA A 22 -3.456 13.127 -2.633 1.00 20.22 H new ATOM 0 HB1 ALA A 22 -4.485 11.685 -0.907 1.00 51.04 H new ATOM 0 HB2 ALA A 22 -5.588 12.980 -1.429 1.00 51.04 H new ATOM 0 HB3 ALA A 22 -5.823 11.319 -2.022 1.00 51.04 H new ATOM 337 N LEU A 23 -4.105 10.130 -3.873 1.00 1.33 N ATOM 338 CA LEU A 23 -3.481 8.882 -4.297 1.00 71.31 C ATOM 339 C LEU A 23 -2.441 9.134 -5.384 1.00 2.54 C ATOM 340 O LEU A 23 -1.401 8.478 -5.425 1.00 44.34 O ATOM 341 CB LEU A 23 -4.543 7.906 -4.809 1.00 2.44 C ATOM 342 CG LEU A 23 -5.035 8.139 -6.237 1.00 71.04 C ATOM 343 CD1 LEU A 23 -4.162 7.389 -7.232 1.00 10.25 C ATOM 344 CD2 LEU A 23 -6.490 7.714 -6.376 1.00 42.31 C ATOM 0 H LEU A 23 -5.110 10.176 -4.038 1.00 1.33 H new ATOM 0 HA LEU A 23 -2.979 8.445 -3.434 1.00 71.31 H new ATOM 0 HB2 LEU A 23 -4.140 6.895 -4.745 1.00 2.44 H new ATOM 0 HB3 LEU A 23 -5.401 7.950 -4.139 1.00 2.44 H new ATOM 0 HG LEU A 23 -4.966 9.205 -6.455 1.00 71.04 H new ATOM 0 HD11 LEU A 23 -4.528 7.567 -8.243 1.00 10.25 H new ATOM 0 HD12 LEU A 23 -3.133 7.741 -7.151 1.00 10.25 H new ATOM 0 HD13 LEU A 23 -4.199 6.321 -7.016 1.00 10.25 H new ATOM 0 HD21 LEU A 23 -6.823 7.887 -7.399 1.00 42.31 H new ATOM 0 HD22 LEU A 23 -6.584 6.654 -6.138 1.00 42.31 H new ATOM 0 HD23 LEU A 23 -7.106 8.296 -5.690 1.00 42.31 H new ATOM 356 N ALA A 24 -2.728 10.092 -6.260 1.00 34.52 N ATOM 357 CA ALA A 24 -1.816 10.434 -7.344 1.00 11.13 C ATOM 358 C ALA A 24 -0.544 11.082 -6.807 1.00 14.02 C ATOM 359 O ALA A 24 0.552 10.824 -7.302 1.00 10.32 O ATOM 360 CB ALA A 24 -2.502 11.358 -8.339 1.00 11.43 C ATOM 0 H ALA A 24 -3.585 10.645 -6.240 1.00 34.52 H new ATOM 0 HA ALA A 24 -1.536 9.513 -7.854 1.00 11.13 H new ATOM 0 HB1 ALA A 24 -1.809 11.605 -9.143 1.00 11.43 H new ATOM 0 HB2 ALA A 24 -3.378 10.859 -8.755 1.00 11.43 H new ATOM 0 HB3 ALA A 24 -2.812 12.272 -7.833 1.00 11.43 H new ATOM 366 N GLY A 25 -0.699 11.926 -5.791 1.00 22.33 N ATOM 367 CA GLY A 25 0.446 12.598 -5.204 1.00 53.12 C ATOM 368 C GLY A 25 1.358 11.645 -4.458 1.00 1.24 C ATOM 369 O GLY A 25 2.580 11.709 -4.593 1.00 50.45 O ATOM 0 H GLY A 25 -1.596 12.156 -5.364 1.00 22.33 H new ATOM 0 HA2 GLY A 25 1.012 13.098 -5.990 1.00 53.12 H new ATOM 0 HA3 GLY A 25 0.098 13.372 -4.521 1.00 53.12 H new ATOM 373 N VAL A 26 0.764 10.759 -3.665 1.00 22.23 N ATOM 374 CA VAL A 26 1.532 9.789 -2.893 1.00 34.32 C ATOM 375 C VAL A 26 2.257 8.808 -3.808 1.00 13.32 C ATOM 376 O VAL A 26 3.414 8.459 -3.571 1.00 13.22 O ATOM 377 CB VAL A 26 0.628 9.000 -1.926 1.00 64.12 C ATOM 378 CG1 VAL A 26 -0.509 8.331 -2.683 1.00 63.04 C ATOM 379 CG2 VAL A 26 1.443 7.973 -1.155 1.00 22.41 C ATOM 0 H VAL A 26 -0.246 10.693 -3.540 1.00 22.23 H new ATOM 0 HA VAL A 26 2.265 10.353 -2.316 1.00 34.32 H new ATOM 0 HB VAL A 26 0.194 9.698 -1.210 1.00 64.12 H new ATOM 0 HG11 VAL A 26 -1.136 7.779 -1.983 1.00 63.04 H new ATOM 0 HG12 VAL A 26 -1.108 9.090 -3.186 1.00 63.04 H new ATOM 0 HG13 VAL A 26 -0.099 7.644 -3.423 1.00 63.04 H new ATOM 0 HG21 VAL A 26 0.789 7.425 -0.477 1.00 22.41 H new ATOM 0 HG22 VAL A 26 1.906 7.277 -1.854 1.00 22.41 H new ATOM 0 HG23 VAL A 26 2.218 8.480 -0.581 1.00 22.41 H new ATOM 389 N THR A 27 1.569 8.366 -4.856 1.00 41.44 N ATOM 390 CA THR A 27 2.147 7.425 -5.808 1.00 13.44 C ATOM 391 C THR A 27 3.333 8.042 -6.539 1.00 63.04 C ATOM 392 O THR A 27 4.395 7.429 -6.648 1.00 35.50 O ATOM 393 CB THR A 27 1.104 6.962 -6.843 1.00 23.24 C ATOM 394 OG1 THR A 27 0.505 8.097 -7.477 1.00 0.22 O ATOM 395 CG2 THR A 27 0.026 6.115 -6.183 1.00 2.20 C ATOM 0 H THR A 27 0.611 8.645 -5.067 1.00 41.44 H new ATOM 0 HA THR A 27 2.486 6.563 -5.234 1.00 13.44 H new ATOM 0 HB THR A 27 1.613 6.355 -7.592 1.00 23.24 H new ATOM 0 HG1 THR A 27 -0.177 8.479 -6.887 1.00 0.22 H new ATOM 0 HG21 THR A 27 -0.699 5.800 -6.933 1.00 2.20 H new ATOM 0 HG22 THR A 27 0.482 5.236 -5.727 1.00 2.20 H new ATOM 0 HG23 THR A 27 -0.478 6.702 -5.415 1.00 2.20 H new ATOM 403 N ALA A 28 3.147 9.259 -7.039 1.00 53.15 N ATOM 404 CA ALA A 28 4.203 9.960 -7.759 1.00 23.32 C ATOM 405 C ALA A 28 5.324 10.382 -6.814 1.00 73.34 C ATOM 406 O ALA A 28 6.503 10.199 -7.115 1.00 24.35 O ATOM 407 CB ALA A 28 3.635 11.172 -8.482 1.00 23.01 C ATOM 0 H ALA A 28 2.274 9.780 -6.959 1.00 53.15 H new ATOM 0 HA ALA A 28 4.622 9.275 -8.496 1.00 23.32 H new ATOM 0 HB1 ALA A 28 4.435 11.686 -9.015 1.00 23.01 H new ATOM 0 HB2 ALA A 28 2.875 10.848 -9.193 1.00 23.01 H new ATOM 0 HB3 ALA A 28 3.188 11.852 -7.757 1.00 23.01 H new ATOM 413 N SER A 29 4.947 10.948 -5.672 1.00 70.03 N ATOM 414 CA SER A 29 5.921 11.400 -4.686 1.00 12.33 C ATOM 415 C SER A 29 6.878 10.273 -4.311 1.00 32.15 C ATOM 416 O SER A 29 8.096 10.448 -4.325 1.00 24.32 O ATOM 417 CB SER A 29 5.208 11.917 -3.434 1.00 43.25 C ATOM 418 OG SER A 29 4.547 13.144 -3.694 1.00 23.40 O ATOM 0 H SER A 29 3.975 11.104 -5.407 1.00 70.03 H new ATOM 0 HA SER A 29 6.499 12.212 -5.128 1.00 12.33 H new ATOM 0 HB2 SER A 29 4.485 11.176 -3.091 1.00 43.25 H new ATOM 0 HB3 SER A 29 5.931 12.053 -2.630 1.00 43.25 H new ATOM 0 HG SER A 29 3.599 12.973 -3.872 1.00 23.40 H new ATOM 424 N ASP A 30 6.317 9.116 -3.975 1.00 52.41 N ATOM 425 CA ASP A 30 7.119 7.959 -3.597 1.00 31.23 C ATOM 426 C ASP A 30 7.883 7.411 -4.798 1.00 4.30 C ATOM 427 O ASP A 30 9.078 7.128 -4.710 1.00 44.10 O ATOM 428 CB ASP A 30 6.228 6.867 -3.002 1.00 62.45 C ATOM 429 CG ASP A 30 5.695 7.236 -1.632 1.00 40.33 C ATOM 430 OD1 ASP A 30 6.500 7.661 -0.778 1.00 21.24 O ATOM 431 OD2 ASP A 30 4.473 7.100 -1.414 1.00 53.23 O ATOM 0 H ASP A 30 5.310 8.955 -3.957 1.00 52.41 H new ATOM 0 HA ASP A 30 7.841 8.278 -2.845 1.00 31.23 H new ATOM 0 HB2 ASP A 30 5.392 6.678 -3.675 1.00 62.45 H new ATOM 0 HB3 ASP A 30 6.795 5.939 -2.930 1.00 62.45 H new ATOM 436 N PHE A 31 7.186 7.264 -5.919 1.00 70.35 N ATOM 437 CA PHE A 31 7.798 6.748 -7.138 1.00 64.03 C ATOM 438 C PHE A 31 8.725 5.576 -6.828 1.00 2.44 C ATOM 439 O PHE A 31 9.907 5.578 -7.174 1.00 73.30 O ATOM 440 CB PHE A 31 8.578 7.855 -7.850 1.00 45.13 C ATOM 441 CG PHE A 31 8.186 8.035 -9.289 1.00 14.43 C ATOM 442 CD1 PHE A 31 6.851 8.112 -9.652 1.00 13.54 C ATOM 443 CD2 PHE A 31 9.151 8.127 -10.278 1.00 43.30 C ATOM 444 CE1 PHE A 31 6.486 8.279 -10.974 1.00 73.23 C ATOM 445 CE2 PHE A 31 8.792 8.294 -11.602 1.00 44.12 C ATOM 446 CZ PHE A 31 7.458 8.369 -11.951 1.00 30.40 C ATOM 0 H PHE A 31 6.197 7.495 -6.009 1.00 70.35 H new ATOM 0 HA PHE A 31 7.002 6.395 -7.793 1.00 64.03 H new ATOM 0 HB2 PHE A 31 8.425 8.795 -7.320 1.00 45.13 H new ATOM 0 HB3 PHE A 31 9.643 7.629 -7.797 1.00 45.13 H new ATOM 0 HD1 PHE A 31 6.087 8.041 -8.892 1.00 13.54 H new ATOM 0 HD2 PHE A 31 10.196 8.068 -10.012 1.00 43.30 H new ATOM 0 HE1 PHE A 31 5.442 8.339 -11.243 1.00 73.23 H new ATOM 0 HE2 PHE A 31 9.554 8.366 -12.364 1.00 44.12 H new ATOM 0 HZ PHE A 31 7.175 8.498 -12.985 1.00 30.40 H new ATOM 501 N ASP A 35 7.707 3.503 -12.717 1.00 52.41 N ATOM 502 CA ASP A 35 7.097 3.058 -13.965 1.00 23.53 C ATOM 503 C ASP A 35 5.576 3.131 -13.883 1.00 12.12 C ATOM 504 O ASP A 35 4.871 2.437 -14.616 1.00 51.12 O ATOM 505 CB ASP A 35 7.535 1.628 -14.288 1.00 55.14 C ATOM 506 CG ASP A 35 8.837 1.582 -15.063 1.00 52.41 C ATOM 507 OD1 ASP A 35 8.870 2.103 -16.198 1.00 22.33 O ATOM 508 OD2 ASP A 35 9.822 1.026 -14.535 1.00 65.33 O ATOM 0 HA ASP A 35 7.431 3.722 -14.762 1.00 23.53 H new ATOM 0 HB2 ASP A 35 7.648 1.067 -13.360 1.00 55.14 H new ATOM 0 HB3 ASP A 35 6.754 1.134 -14.866 1.00 55.14 H new ATOM 513 N ILE A 36 5.077 3.975 -12.986 1.00 33.10 N ATOM 514 CA ILE A 36 3.639 4.138 -12.809 1.00 2.52 C ATOM 515 C ILE A 36 3.024 4.896 -13.980 1.00 74.24 C ATOM 516 O ILE A 36 3.385 6.041 -14.253 1.00 63.44 O ATOM 517 CB ILE A 36 3.315 4.886 -11.502 1.00 35.43 C ATOM 518 CG1 ILE A 36 1.810 5.140 -11.395 1.00 14.43 C ATOM 519 CG2 ILE A 36 4.085 6.196 -11.435 1.00 61.31 C ATOM 520 CD1 ILE A 36 1.412 5.899 -10.148 1.00 24.13 C ATOM 0 H ILE A 36 5.647 4.556 -12.371 1.00 33.10 H new ATOM 0 HA ILE A 36 3.211 3.137 -12.762 1.00 2.52 H new ATOM 0 HB ILE A 36 3.621 4.265 -10.660 1.00 35.43 H new ATOM 0 HG12 ILE A 36 1.481 5.699 -12.271 1.00 14.43 H new ATOM 0 HG13 ILE A 36 1.286 4.184 -11.411 1.00 14.43 H new ATOM 0 HG21 ILE A 36 3.845 6.712 -10.505 1.00 61.31 H new ATOM 0 HG22 ILE A 36 5.155 5.991 -11.470 1.00 61.31 H new ATOM 0 HG23 ILE A 36 3.808 6.825 -12.281 1.00 61.31 H new ATOM 0 HD11 ILE A 36 0.332 6.043 -10.139 1.00 24.13 H new ATOM 0 HD12 ILE A 36 1.710 5.332 -9.266 1.00 24.13 H new ATOM 0 HD13 ILE A 36 1.907 6.870 -10.139 1.00 24.13 H new ATOM 532 N LYS A 37 2.089 4.250 -14.670 1.00 23.31 N ATOM 533 CA LYS A 37 1.419 4.862 -15.811 1.00 64.11 C ATOM 534 C LYS A 37 -0.047 5.139 -15.496 1.00 51.45 C ATOM 535 O LYS A 37 -0.939 4.448 -15.989 1.00 12.21 O ATOM 536 CB LYS A 37 1.526 3.954 -17.038 1.00 73.24 C ATOM 537 CG LYS A 37 2.956 3.685 -17.474 1.00 53.33 C ATOM 538 CD LYS A 37 3.718 4.978 -17.712 1.00 62.23 C ATOM 539 CE LYS A 37 3.065 5.818 -18.799 1.00 10.33 C ATOM 540 NZ LYS A 37 2.953 5.074 -20.084 1.00 1.13 N ATOM 0 H LYS A 37 1.778 3.302 -14.458 1.00 23.31 H new ATOM 0 HA LYS A 37 1.912 5.811 -16.025 1.00 64.11 H new ATOM 0 HB2 LYS A 37 1.037 3.005 -16.820 1.00 73.24 H new ATOM 0 HB3 LYS A 37 0.983 4.410 -17.865 1.00 73.24 H new ATOM 0 HG2 LYS A 37 3.465 3.096 -16.711 1.00 53.33 H new ATOM 0 HG3 LYS A 37 2.953 3.090 -18.387 1.00 53.33 H new ATOM 0 HD2 LYS A 37 3.763 5.551 -16.786 1.00 62.23 H new ATOM 0 HD3 LYS A 37 4.745 4.749 -17.995 1.00 62.23 H new ATOM 0 HE2 LYS A 37 2.073 6.128 -18.471 1.00 10.33 H new ATOM 0 HE3 LYS A 37 3.647 6.726 -18.955 1.00 10.33 H new ATOM 0 HZ1 LYS A 37 2.695 5.734 -20.846 1.00 1.13 H new ATOM 0 HZ2 LYS A 37 3.865 4.627 -20.307 1.00 1.13 H new ATOM 0 HZ3 LYS A 37 2.220 4.341 -19.998 1.00 1.13 H new ATOM 554 N TYR A 38 -0.289 6.155 -14.675 1.00 52.03 N ATOM 555 CA TYR A 38 -1.648 6.523 -14.295 1.00 3.04 C ATOM 556 C TYR A 38 -1.940 7.976 -14.657 1.00 75.21 C ATOM 557 O TYR A 38 -1.038 8.811 -14.695 1.00 54.42 O ATOM 558 CB TYR A 38 -1.855 6.308 -12.794 1.00 53.35 C ATOM 559 CG TYR A 38 -2.696 7.381 -12.140 1.00 35.20 C ATOM 560 CD1 TYR A 38 -2.124 8.567 -11.699 1.00 4.35 C ATOM 561 CD2 TYR A 38 -4.063 7.207 -11.962 1.00 14.50 C ATOM 562 CE1 TYR A 38 -2.888 9.550 -11.099 1.00 61.13 C ATOM 563 CE2 TYR A 38 -4.836 8.185 -11.365 1.00 44.12 C ATOM 564 CZ TYR A 38 -4.243 9.354 -10.935 1.00 54.34 C ATOM 565 OH TYR A 38 -5.009 10.330 -10.339 1.00 70.01 O ATOM 0 H TYR A 38 0.438 6.738 -14.260 1.00 52.03 H new ATOM 0 HA TYR A 38 -2.339 5.885 -14.846 1.00 3.04 H new ATOM 0 HB2 TYR A 38 -2.329 5.339 -12.636 1.00 53.35 H new ATOM 0 HB3 TYR A 38 -0.883 6.270 -12.303 1.00 53.35 H new ATOM 0 HD1 TYR A 38 -1.063 8.724 -11.827 1.00 4.35 H new ATOM 0 HD2 TYR A 38 -4.529 6.292 -12.296 1.00 14.50 H new ATOM 0 HE1 TYR A 38 -2.427 10.466 -10.761 1.00 61.13 H new ATOM 0 HE2 TYR A 38 -5.898 8.035 -11.236 1.00 44.12 H new ATOM 0 HH TYR A 38 -5.556 9.930 -9.631 1.00 70.01 H new ATOM 575 N ASN A 39 -3.210 8.268 -14.922 1.00 45.52 N ATOM 576 CA ASN A 39 -3.623 9.620 -15.282 1.00 32.03 C ATOM 577 C ASN A 39 -5.128 9.795 -15.100 1.00 60.45 C ATOM 578 O ASN A 39 -5.848 8.830 -14.840 1.00 1.23 O ATOM 579 CB ASN A 39 -3.234 9.927 -16.729 1.00 65.11 C ATOM 580 CG ASN A 39 -2.955 11.401 -16.953 1.00 34.22 C ATOM 581 OD1 ASN A 39 -3.681 12.077 -17.682 1.00 12.34 O ATOM 582 ND2 ASN A 39 -1.900 11.905 -16.325 1.00 45.40 N ATOM 0 H ASN A 39 -3.969 7.588 -14.894 1.00 45.52 H new ATOM 0 HA ASN A 39 -3.111 10.318 -14.620 1.00 32.03 H new ATOM 0 HB2 ASN A 39 -2.350 9.348 -16.995 1.00 65.11 H new ATOM 0 HB3 ASN A 39 -4.036 9.607 -17.394 1.00 65.11 H new ATOM 0 HD21 ASN A 39 -1.663 12.891 -16.437 1.00 45.40 H new ATOM 0 HD22 ASN A 39 -1.327 11.307 -15.730 1.00 45.40 H new ATOM 589 N ILE A 40 -5.596 11.030 -15.241 1.00 2.30 N ATOM 590 CA ILE A 40 -7.015 11.331 -15.095 1.00 25.35 C ATOM 591 C ILE A 40 -7.552 12.058 -16.322 1.00 40.13 C ATOM 592 O ILE A 40 -6.959 13.031 -16.790 1.00 34.31 O ATOM 593 CB ILE A 40 -7.282 12.190 -13.845 1.00 20.03 C ATOM 594 CG1 ILE A 40 -6.021 12.961 -13.450 1.00 23.14 C ATOM 595 CG2 ILE A 40 -7.758 11.317 -12.693 1.00 60.35 C ATOM 596 CD1 ILE A 40 -5.097 12.183 -12.539 1.00 34.34 C ATOM 0 H ILE A 40 -5.013 11.839 -15.456 1.00 2.30 H new ATOM 0 HA ILE A 40 -7.531 10.377 -14.987 1.00 25.35 H new ATOM 0 HB ILE A 40 -8.067 12.909 -14.078 1.00 20.03 H new ATOM 0 HG12 ILE A 40 -5.478 13.240 -14.353 1.00 23.14 H new ATOM 0 HG13 ILE A 40 -6.312 13.887 -12.954 1.00 23.14 H new ATOM 0 HG21 ILE A 40 -7.942 11.939 -11.817 1.00 60.35 H new ATOM 0 HG22 ILE A 40 -8.680 10.809 -12.978 1.00 60.35 H new ATOM 0 HG23 ILE A 40 -6.994 10.576 -12.458 1.00 60.35 H new ATOM 0 HD11 ILE A 40 -4.225 12.791 -12.300 1.00 34.34 H new ATOM 0 HD12 ILE A 40 -5.623 11.927 -11.620 1.00 34.34 H new ATOM 0 HD13 ILE A 40 -4.776 11.270 -13.040 1.00 34.34 H new ATOM 608 N PHE A 41 -8.679 11.581 -16.839 1.00 54.14 N ATOM 609 CA PHE A 41 -9.298 12.186 -18.013 1.00 14.41 C ATOM 610 C PHE A 41 -10.788 12.423 -17.781 1.00 41.11 C ATOM 611 O PHE A 41 -11.449 11.654 -17.082 1.00 0.33 O ATOM 612 CB PHE A 41 -9.097 11.294 -19.239 1.00 71.14 C ATOM 613 CG PHE A 41 -9.182 9.826 -18.933 1.00 75.00 C ATOM 614 CD1 PHE A 41 -10.407 9.226 -18.689 1.00 72.34 C ATOM 615 CD2 PHE A 41 -8.038 9.047 -18.888 1.00 62.52 C ATOM 616 CE1 PHE A 41 -10.489 7.875 -18.408 1.00 34.05 C ATOM 617 CE2 PHE A 41 -8.114 7.695 -18.607 1.00 42.44 C ATOM 618 CZ PHE A 41 -9.341 7.109 -18.366 1.00 2.25 C ATOM 0 H PHE A 41 -9.183 10.777 -16.464 1.00 54.14 H new ATOM 0 HA PHE A 41 -8.818 13.148 -18.190 1.00 14.41 H new ATOM 0 HB2 PHE A 41 -9.848 11.545 -19.988 1.00 71.14 H new ATOM 0 HB3 PHE A 41 -8.123 11.509 -19.679 1.00 71.14 H new ATOM 0 HD1 PHE A 41 -11.308 9.821 -18.719 1.00 72.34 H new ATOM 0 HD2 PHE A 41 -7.076 9.500 -19.074 1.00 62.52 H new ATOM 0 HE1 PHE A 41 -11.450 7.419 -18.221 1.00 34.05 H new ATOM 0 HE2 PHE A 41 -7.215 7.098 -18.576 1.00 42.44 H new ATOM 0 HZ PHE A 41 -9.403 6.054 -18.145 1.00 2.25 H new ATOM 628 N LEU A 42 -11.310 13.492 -18.372 1.00 43.21 N ATOM 629 CA LEU A 42 -12.721 13.832 -18.231 1.00 13.14 C ATOM 630 C LEU A 42 -13.490 13.510 -19.508 1.00 43.33 C ATOM 631 O LEU A 42 -13.172 14.022 -20.582 1.00 14.51 O ATOM 632 CB LEU A 42 -12.877 15.315 -17.888 1.00 33.31 C ATOM 633 CG LEU A 42 -14.312 15.823 -17.744 1.00 52.13 C ATOM 634 CD1 LEU A 42 -14.893 16.173 -19.105 1.00 52.14 C ATOM 635 CD2 LEU A 42 -15.178 14.786 -17.043 1.00 42.15 C ATOM 0 H LEU A 42 -10.777 14.138 -18.954 1.00 43.21 H new ATOM 0 HA LEU A 42 -13.134 13.232 -17.420 1.00 13.14 H new ATOM 0 HB2 LEU A 42 -12.349 15.509 -16.955 1.00 33.31 H new ATOM 0 HB3 LEU A 42 -12.381 15.901 -18.662 1.00 33.31 H new ATOM 0 HG LEU A 42 -14.298 16.726 -17.134 1.00 52.13 H new ATOM 0 HD11 LEU A 42 -15.915 16.533 -18.983 1.00 52.14 H new ATOM 0 HD12 LEU A 42 -14.288 16.951 -19.570 1.00 52.14 H new ATOM 0 HD13 LEU A 42 -14.894 15.286 -19.739 1.00 52.14 H new ATOM 0 HD21 LEU A 42 -16.196 15.165 -16.949 1.00 42.15 H new ATOM 0 HD22 LEU A 42 -15.186 13.865 -17.626 1.00 42.15 H new ATOM 0 HD23 LEU A 42 -14.773 14.584 -16.051 1.00 42.15 H new ATOM 647 N VAL A 43 -14.504 12.660 -19.385 1.00 24.43 N ATOM 648 CA VAL A 43 -15.320 12.272 -20.529 1.00 31.23 C ATOM 649 C VAL A 43 -16.655 13.008 -20.526 1.00 11.01 C ATOM 650 O VAL A 43 -17.276 13.184 -19.478 1.00 13.22 O ATOM 651 CB VAL A 43 -15.583 10.754 -20.542 1.00 12.32 C ATOM 652 CG1 VAL A 43 -14.444 10.009 -19.863 1.00 73.20 C ATOM 653 CG2 VAL A 43 -16.912 10.439 -19.872 1.00 31.40 C ATOM 0 H VAL A 43 -14.780 12.227 -18.504 1.00 24.43 H new ATOM 0 HA VAL A 43 -14.760 12.544 -21.424 1.00 31.23 H new ATOM 0 HB VAL A 43 -15.636 10.420 -21.578 1.00 12.32 H new ATOM 0 HG11 VAL A 43 -14.647 8.938 -19.882 1.00 73.20 H new ATOM 0 HG12 VAL A 43 -13.512 10.211 -20.391 1.00 73.20 H new ATOM 0 HG13 VAL A 43 -14.356 10.343 -18.829 1.00 73.20 H new ATOM 0 HG21 VAL A 43 -17.082 9.363 -19.890 1.00 31.40 H new ATOM 0 HG22 VAL A 43 -16.890 10.786 -18.839 1.00 31.40 H new ATOM 0 HG23 VAL A 43 -17.717 10.943 -20.407 1.00 31.40 H new ATOM 663 N ASP A 44 -17.091 13.436 -21.706 1.00 21.43 N ATOM 664 CA ASP A 44 -18.354 14.152 -21.840 1.00 61.05 C ATOM 665 C ASP A 44 -19.169 13.602 -23.007 1.00 21.02 C ATOM 666 O ASP A 44 -18.865 13.868 -24.171 1.00 22.34 O ATOM 667 CB ASP A 44 -18.098 15.647 -22.041 1.00 32.43 C ATOM 668 CG ASP A 44 -16.973 15.915 -23.021 1.00 13.31 C ATOM 669 OD1 ASP A 44 -15.807 15.981 -22.581 1.00 3.31 O ATOM 670 OD2 ASP A 44 -17.260 16.060 -24.228 1.00 3.40 O ATOM 0 H ASP A 44 -16.588 13.299 -22.583 1.00 21.43 H new ATOM 0 HA ASP A 44 -18.924 14.009 -20.922 1.00 61.05 H new ATOM 0 HB2 ASP A 44 -19.010 16.124 -22.400 1.00 32.43 H new ATOM 0 HB3 ASP A 44 -17.856 16.104 -21.081 1.00 32.43 H new ATOM 675 N LEU A 45 -20.205 12.834 -22.688 1.00 25.31 N ATOM 676 CA LEU A 45 -21.064 12.245 -23.709 1.00 64.33 C ATOM 677 C LEU A 45 -22.475 12.025 -23.174 1.00 23.15 C ATOM 678 O LEU A 45 -22.681 11.917 -21.964 1.00 42.34 O ATOM 679 CB LEU A 45 -20.477 10.917 -24.194 1.00 12.45 C ATOM 680 CG LEU A 45 -20.276 10.784 -25.703 1.00 63.34 C ATOM 681 CD1 LEU A 45 -21.617 10.700 -26.416 1.00 2.24 C ATOM 682 CD2 LEU A 45 -19.458 11.950 -26.238 1.00 3.54 C ATOM 0 H LEU A 45 -20.470 12.605 -21.730 1.00 25.31 H new ATOM 0 HA LEU A 45 -21.118 12.939 -24.547 1.00 64.33 H new ATOM 0 HB2 LEU A 45 -19.514 10.768 -23.705 1.00 12.45 H new ATOM 0 HB3 LEU A 45 -21.131 10.111 -23.862 1.00 12.45 H new ATOM 0 HG LEU A 45 -19.727 9.862 -25.896 1.00 63.34 H new ATOM 0 HD11 LEU A 45 -21.453 10.606 -27.489 1.00 2.24 H new ATOM 0 HD12 LEU A 45 -22.167 9.831 -26.055 1.00 2.24 H new ATOM 0 HD13 LEU A 45 -22.193 11.603 -26.215 1.00 2.24 H new ATOM 0 HD21 LEU A 45 -19.325 11.838 -27.314 1.00 3.54 H new ATOM 0 HD22 LEU A 45 -19.979 12.885 -26.032 1.00 3.54 H new ATOM 0 HD23 LEU A 45 -18.483 11.964 -25.752 1.00 3.54 H new ATOM 694 N TYR A 46 -23.442 11.957 -24.081 1.00 14.21 N ATOM 695 CA TYR A 46 -24.834 11.750 -23.700 1.00 14.22 C ATOM 696 C TYR A 46 -25.340 12.902 -22.836 1.00 62.20 C ATOM 697 O TYR A 46 -26.130 12.702 -21.915 1.00 33.41 O ATOM 698 CB TYR A 46 -24.988 10.428 -22.947 1.00 24.34 C ATOM 699 CG TYR A 46 -24.484 9.229 -23.719 1.00 4.35 C ATOM 700 CD1 TYR A 46 -25.245 8.661 -24.732 1.00 74.20 C ATOM 701 CD2 TYR A 46 -23.246 8.665 -23.434 1.00 74.10 C ATOM 702 CE1 TYR A 46 -24.789 7.565 -25.440 1.00 14.43 C ATOM 703 CE2 TYR A 46 -22.782 7.571 -24.137 1.00 63.54 C ATOM 704 CZ TYR A 46 -23.557 7.024 -25.139 1.00 1.30 C ATOM 705 OH TYR A 46 -23.098 5.933 -25.841 1.00 12.20 O ATOM 0 H TYR A 46 -23.288 12.042 -25.086 1.00 14.21 H new ATOM 0 HA TYR A 46 -25.431 11.713 -24.611 1.00 14.22 H new ATOM 0 HB2 TYR A 46 -24.450 10.493 -22.001 1.00 24.34 H new ATOM 0 HB3 TYR A 46 -26.040 10.278 -22.705 1.00 24.34 H new ATOM 0 HD1 TYR A 46 -26.210 9.083 -24.971 1.00 74.20 H new ATOM 0 HD2 TYR A 46 -22.637 9.090 -22.650 1.00 74.10 H new ATOM 0 HE1 TYR A 46 -25.394 7.135 -26.224 1.00 14.43 H new ATOM 0 HE2 TYR A 46 -21.817 7.145 -23.904 1.00 63.54 H new ATOM 0 HH TYR A 46 -22.214 5.677 -25.506 1.00 12.20 H new ATOM 715 N GLY A 47 -24.877 14.110 -23.142 1.00 42.11 N ATOM 716 CA GLY A 47 -25.292 15.277 -22.386 1.00 10.10 C ATOM 717 C GLY A 47 -24.812 15.238 -20.949 1.00 23.32 C ATOM 718 O GLY A 47 -25.226 16.055 -20.127 1.00 42.35 O ATOM 0 H GLY A 47 -24.222 14.301 -23.900 1.00 42.11 H new ATOM 0 HA2 GLY A 47 -24.908 16.175 -22.870 1.00 10.10 H new ATOM 0 HA3 GLY A 47 -26.380 15.348 -22.401 1.00 10.10 H new ATOM 722 N GLN A 48 -23.937 14.284 -20.645 1.00 15.04 N ATOM 723 CA GLN A 48 -23.403 14.141 -19.296 1.00 21.54 C ATOM 724 C GLN A 48 -21.885 13.992 -19.324 1.00 53.24 C ATOM 725 O GLN A 48 -21.325 13.408 -20.253 1.00 11.55 O ATOM 726 CB GLN A 48 -24.032 12.932 -18.601 1.00 32.22 C ATOM 727 CG GLN A 48 -25.545 13.019 -18.479 1.00 50.44 C ATOM 728 CD GLN A 48 -25.988 13.886 -17.317 1.00 31.42 C ATOM 729 OE1 GLN A 48 -25.283 14.009 -16.315 1.00 64.41 O ATOM 730 NE2 GLN A 48 -27.162 14.492 -17.444 1.00 14.20 N ATOM 0 H GLN A 48 -23.584 13.600 -21.314 1.00 15.04 H new ATOM 0 HA GLN A 48 -23.652 15.043 -18.737 1.00 21.54 H new ATOM 0 HB2 GLN A 48 -23.772 12.030 -19.154 1.00 32.22 H new ATOM 0 HB3 GLN A 48 -23.601 12.831 -17.605 1.00 32.22 H new ATOM 0 HG2 GLN A 48 -25.958 13.420 -19.405 1.00 50.44 H new ATOM 0 HG3 GLN A 48 -25.954 12.016 -18.356 1.00 50.44 H new ATOM 0 HE21 GLN A 48 -27.714 14.362 -18.292 1.00 14.20 H new ATOM 0 HE22 GLN A 48 -27.512 15.087 -16.694 1.00 14.20 H new ATOM 739 N LYS A 49 -21.224 14.525 -18.302 1.00 72.41 N ATOM 740 CA LYS A 49 -19.771 14.451 -18.209 1.00 10.34 C ATOM 741 C LYS A 49 -19.343 13.763 -16.917 1.00 20.25 C ATOM 742 O LYS A 49 -19.820 14.103 -15.833 1.00 62.44 O ATOM 743 CB LYS A 49 -19.164 15.854 -18.277 1.00 4.33 C ATOM 744 CG LYS A 49 -19.915 16.883 -17.449 1.00 43.14 C ATOM 745 CD LYS A 49 -20.689 17.849 -18.330 1.00 55.02 C ATOM 746 CE LYS A 49 -19.941 19.160 -18.512 1.00 42.51 C ATOM 747 NZ LYS A 49 -20.563 20.013 -19.563 1.00 24.11 N ATOM 0 H LYS A 49 -21.672 15.013 -17.526 1.00 72.41 H new ATOM 0 HA LYS A 49 -19.407 13.862 -19.051 1.00 10.34 H new ATOM 0 HB2 LYS A 49 -18.130 15.810 -17.936 1.00 4.33 H new ATOM 0 HB3 LYS A 49 -19.143 16.182 -19.316 1.00 4.33 H new ATOM 0 HG2 LYS A 49 -20.602 16.376 -16.772 1.00 43.14 H new ATOM 0 HG3 LYS A 49 -19.210 17.438 -16.830 1.00 43.14 H new ATOM 0 HD2 LYS A 49 -20.867 17.392 -19.304 1.00 55.02 H new ATOM 0 HD3 LYS A 49 -21.665 18.045 -17.887 1.00 55.02 H new ATOM 0 HE2 LYS A 49 -19.924 19.703 -17.567 1.00 42.51 H new ATOM 0 HE3 LYS A 49 -18.905 18.953 -18.779 1.00 42.51 H new ATOM 0 HZ1 LYS A 49 -20.024 20.897 -19.657 1.00 24.11 H new ATOM 0 HZ2 LYS A 49 -20.556 19.506 -20.471 1.00 24.11 H new ATOM 0 HZ3 LYS A 49 -21.544 20.232 -19.296 1.00 24.11 H new ATOM 761 N TYR A 50 -18.441 12.796 -17.038 1.00 22.51 N ATOM 762 CA TYR A 50 -17.949 12.059 -15.880 1.00 33.15 C ATOM 763 C TYR A 50 -16.426 11.979 -15.891 1.00 2.53 C ATOM 764 O TYR A 50 -15.799 11.997 -16.950 1.00 52.34 O ATOM 765 CB TYR A 50 -18.544 10.650 -15.855 1.00 15.13 C ATOM 766 CG TYR A 50 -20.023 10.612 -16.170 1.00 63.52 C ATOM 767 CD1 TYR A 50 -20.473 10.636 -17.484 1.00 72.25 C ATOM 768 CD2 TYR A 50 -20.969 10.552 -15.155 1.00 22.24 C ATOM 769 CE1 TYR A 50 -21.823 10.601 -17.778 1.00 2.53 C ATOM 770 CE2 TYR A 50 -22.320 10.516 -15.438 1.00 72.45 C ATOM 771 CZ TYR A 50 -22.742 10.541 -16.751 1.00 72.14 C ATOM 772 OH TYR A 50 -24.088 10.506 -17.038 1.00 44.53 O ATOM 0 H TYR A 50 -18.035 12.504 -17.927 1.00 22.51 H new ATOM 0 HA TYR A 50 -18.260 12.594 -14.983 1.00 33.15 H new ATOM 0 HB2 TYR A 50 -18.012 10.027 -16.574 1.00 15.13 H new ATOM 0 HB3 TYR A 50 -18.379 10.212 -14.870 1.00 15.13 H new ATOM 0 HD1 TYR A 50 -19.755 10.683 -18.290 1.00 72.25 H new ATOM 0 HD2 TYR A 50 -20.642 10.533 -14.126 1.00 22.24 H new ATOM 0 HE1 TYR A 50 -22.156 10.620 -18.805 1.00 2.53 H new ATOM 0 HE2 TYR A 50 -23.042 10.469 -14.636 1.00 72.45 H new ATOM 0 HH TYR A 50 -24.599 10.464 -16.203 1.00 44.53 H new ATOM 782 N PHE A 51 -15.836 11.891 -14.703 1.00 41.02 N ATOM 783 CA PHE A 51 -14.386 11.809 -14.574 1.00 64.13 C ATOM 784 C PHE A 51 -13.946 10.378 -14.281 1.00 21.43 C ATOM 785 O PHE A 51 -14.500 9.714 -13.404 1.00 4.22 O ATOM 786 CB PHE A 51 -13.897 12.742 -13.464 1.00 54.24 C ATOM 787 CG PHE A 51 -13.966 14.197 -13.831 1.00 54.11 C ATOM 788 CD1 PHE A 51 -15.178 14.870 -13.825 1.00 24.01 C ATOM 789 CD2 PHE A 51 -12.820 14.892 -14.181 1.00 70.03 C ATOM 790 CE1 PHE A 51 -15.244 16.208 -14.163 1.00 2.53 C ATOM 791 CE2 PHE A 51 -12.880 16.231 -14.520 1.00 30.14 C ATOM 792 CZ PHE A 51 -14.094 16.890 -14.509 1.00 45.12 C ATOM 0 H PHE A 51 -16.340 11.875 -13.816 1.00 41.02 H new ATOM 0 HA PHE A 51 -13.945 12.120 -15.521 1.00 64.13 H new ATOM 0 HB2 PHE A 51 -14.495 12.573 -12.568 1.00 54.24 H new ATOM 0 HB3 PHE A 51 -12.867 12.487 -13.213 1.00 54.24 H new ATOM 0 HD1 PHE A 51 -16.080 14.343 -13.553 1.00 24.01 H new ATOM 0 HD2 PHE A 51 -11.868 14.382 -14.189 1.00 70.03 H new ATOM 0 HE1 PHE A 51 -16.195 16.720 -14.157 1.00 2.53 H new ATOM 0 HE2 PHE A 51 -11.979 16.761 -14.793 1.00 30.14 H new ATOM 0 HZ PHE A 51 -14.144 17.937 -14.771 1.00 45.12 H new ATOM 802 N ARG A 52 -12.947 9.908 -15.021 1.00 51.22 N ATOM 803 CA ARG A 52 -12.434 8.555 -14.842 1.00 44.44 C ATOM 804 C ARG A 52 -10.908 8.551 -14.822 1.00 41.32 C ATOM 805 O ARG A 52 -10.266 9.303 -15.556 1.00 43.30 O ATOM 806 CB ARG A 52 -12.942 7.642 -15.959 1.00 50.35 C ATOM 807 CG ARG A 52 -14.427 7.331 -15.864 1.00 2.53 C ATOM 808 CD ARG A 52 -15.243 8.224 -16.785 1.00 53.20 C ATOM 809 NE ARG A 52 -16.627 7.771 -16.901 1.00 42.04 N ATOM 810 CZ ARG A 52 -17.011 6.781 -17.699 1.00 71.12 C ATOM 811 NH1 ARG A 52 -16.121 6.143 -18.446 1.00 45.54 N ATOM 812 NH2 ARG A 52 -18.289 6.426 -17.750 1.00 43.11 N ATOM 0 H ARG A 52 -12.477 10.444 -15.750 1.00 51.22 H new ATOM 0 HA ARG A 52 -12.794 8.180 -13.884 1.00 44.44 H new ATOM 0 HB2 ARG A 52 -12.739 8.112 -16.921 1.00 50.35 H new ATOM 0 HB3 ARG A 52 -12.382 6.707 -15.936 1.00 50.35 H new ATOM 0 HG2 ARG A 52 -14.598 6.286 -16.123 1.00 2.53 H new ATOM 0 HG3 ARG A 52 -14.763 7.464 -14.835 1.00 2.53 H new ATOM 0 HD2 ARG A 52 -15.227 9.246 -16.407 1.00 53.20 H new ATOM 0 HD3 ARG A 52 -14.783 8.242 -17.773 1.00 53.20 H new ATOM 0 HE ARG A 52 -17.337 8.240 -16.339 1.00 42.04 H new ATOM 0 HH11 ARG A 52 -15.138 6.412 -18.409 1.00 45.54 H new ATOM 0 HH12 ARG A 52 -16.419 5.383 -19.058 1.00 45.54 H new ATOM 0 HH21 ARG A 52 -18.977 6.914 -17.176 1.00 43.11 H new ATOM 0 HH22 ARG A 52 -18.583 5.666 -18.363 1.00 43.11 H new ATOM 826 N ILE A 53 -10.335 7.701 -13.978 1.00 21.54 N ATOM 827 CA ILE A 53 -8.885 7.599 -13.863 1.00 34.43 C ATOM 828 C ILE A 53 -8.394 6.226 -14.309 1.00 23.33 C ATOM 829 O ILE A 53 -8.987 5.201 -13.969 1.00 52.12 O ATOM 830 CB ILE A 53 -8.416 7.855 -12.419 1.00 3.53 C ATOM 831 CG1 ILE A 53 -8.349 6.541 -11.639 1.00 75.52 C ATOM 832 CG2 ILE A 53 -9.345 8.841 -11.727 1.00 11.41 C ATOM 833 CD1 ILE A 53 -7.040 5.803 -11.808 1.00 44.13 C ATOM 0 H ILE A 53 -10.852 7.072 -13.363 1.00 21.54 H new ATOM 0 HA ILE A 53 -8.462 8.363 -14.515 1.00 34.43 H new ATOM 0 HB ILE A 53 -7.416 8.288 -12.450 1.00 3.53 H new ATOM 0 HG12 ILE A 53 -8.506 6.748 -10.580 1.00 75.52 H new ATOM 0 HG13 ILE A 53 -9.165 5.895 -11.962 1.00 75.52 H new ATOM 0 HG21 ILE A 53 -9.000 9.012 -10.707 1.00 11.41 H new ATOM 0 HG22 ILE A 53 -9.346 9.785 -12.272 1.00 11.41 H new ATOM 0 HG23 ILE A 53 -10.356 8.434 -11.705 1.00 11.41 H new ATOM 0 HD11 ILE A 53 -7.064 4.881 -11.227 1.00 44.13 H new ATOM 0 HD12 ILE A 53 -6.890 5.564 -12.861 1.00 44.13 H new ATOM 0 HD13 ILE A 53 -6.221 6.431 -11.458 1.00 44.13 H new ATOM 845 N LEU A 54 -7.305 6.212 -15.070 1.00 31.13 N ATOM 846 CA LEU A 54 -6.731 4.964 -15.561 1.00 50.24 C ATOM 847 C LEU A 54 -5.331 4.749 -14.995 1.00 71.44 C ATOM 848 O LEU A 54 -4.425 5.549 -15.230 1.00 71.52 O ATOM 849 CB LEU A 54 -6.680 4.971 -17.090 1.00 61.12 C ATOM 850 CG LEU A 54 -6.652 3.600 -17.767 1.00 31.11 C ATOM 851 CD1 LEU A 54 -6.716 3.750 -19.279 1.00 25.40 C ATOM 852 CD2 LEU A 54 -5.406 2.828 -17.357 1.00 53.12 C ATOM 0 H LEU A 54 -6.802 7.050 -15.360 1.00 31.13 H new ATOM 0 HA LEU A 54 -7.367 4.144 -15.228 1.00 50.24 H new ATOM 0 HB2 LEU A 54 -7.547 5.519 -17.460 1.00 61.12 H new ATOM 0 HB3 LEU A 54 -5.795 5.526 -17.402 1.00 61.12 H new ATOM 0 HG LEU A 54 -7.527 3.037 -17.441 1.00 31.11 H new ATOM 0 HD11 LEU A 54 -6.695 2.764 -19.744 1.00 25.40 H new ATOM 0 HD12 LEU A 54 -7.638 4.262 -19.555 1.00 25.40 H new ATOM 0 HD13 LEU A 54 -5.861 4.332 -19.623 1.00 25.40 H new ATOM 0 HD21 LEU A 54 -5.403 1.855 -17.848 1.00 53.12 H new ATOM 0 HD22 LEU A 54 -4.518 3.387 -17.653 1.00 53.12 H new ATOM 0 HD23 LEU A 54 -5.404 2.689 -16.276 1.00 53.12 H new ATOM 864 N PHE A 55 -5.161 3.661 -14.250 1.00 43.43 N ATOM 865 CA PHE A 55 -3.871 3.339 -13.652 1.00 4.43 C ATOM 866 C PHE A 55 -3.355 1.997 -14.161 1.00 21.54 C ATOM 867 O PHE A 55 -3.996 0.963 -13.972 1.00 65.11 O ATOM 868 CB PHE A 55 -3.986 3.309 -12.126 1.00 44.42 C ATOM 869 CG PHE A 55 -2.755 2.785 -11.443 1.00 35.54 C ATOM 870 CD1 PHE A 55 -2.475 1.428 -11.439 1.00 25.31 C ATOM 871 CD2 PHE A 55 -1.880 3.648 -10.804 1.00 61.10 C ATOM 872 CE1 PHE A 55 -1.344 0.942 -10.810 1.00 2.21 C ATOM 873 CE2 PHE A 55 -0.747 3.168 -10.174 1.00 12.14 C ATOM 874 CZ PHE A 55 -0.478 1.813 -10.178 1.00 14.55 C ATOM 0 H PHE A 55 -5.900 2.988 -14.046 1.00 43.43 H new ATOM 0 HA PHE A 55 -3.161 4.114 -13.941 1.00 4.43 H new ATOM 0 HB2 PHE A 55 -4.191 4.317 -11.765 1.00 44.42 H new ATOM 0 HB3 PHE A 55 -4.839 2.690 -11.846 1.00 44.42 H new ATOM 0 HD1 PHE A 55 -3.148 0.742 -11.933 1.00 25.31 H new ATOM 0 HD2 PHE A 55 -2.085 4.708 -10.798 1.00 61.10 H new ATOM 0 HE1 PHE A 55 -1.138 -0.118 -10.813 1.00 2.21 H new ATOM 0 HE2 PHE A 55 -0.073 3.852 -9.679 1.00 12.14 H new ATOM 0 HZ PHE A 55 0.407 1.436 -9.688 1.00 14.55 H new ATOM 884 N GLN A 56 -2.194 2.022 -14.807 1.00 24.34 N ATOM 885 CA GLN A 56 -1.592 0.807 -15.344 1.00 34.21 C ATOM 886 C GLN A 56 -0.095 0.766 -15.055 1.00 15.32 C ATOM 887 O GLN A 56 0.552 1.806 -14.934 1.00 14.45 O ATOM 888 CB GLN A 56 -1.835 0.716 -16.851 1.00 74.04 C ATOM 889 CG GLN A 56 -0.936 1.629 -17.669 1.00 10.33 C ATOM 890 CD GLN A 56 -1.175 1.502 -19.160 1.00 73.32 C ATOM 891 OE1 GLN A 56 -0.454 0.788 -19.858 1.00 22.04 O ATOM 892 NE2 GLN A 56 -2.193 2.195 -19.658 1.00 62.52 N ATOM 0 H GLN A 56 -1.651 2.870 -14.971 1.00 24.34 H new ATOM 0 HA GLN A 56 -2.061 -0.047 -14.855 1.00 34.21 H new ATOM 0 HB2 GLN A 56 -1.683 -0.314 -17.174 1.00 74.04 H new ATOM 0 HB3 GLN A 56 -2.876 0.964 -17.058 1.00 74.04 H new ATOM 0 HG2 GLN A 56 -1.102 2.663 -17.365 1.00 10.33 H new ATOM 0 HG3 GLN A 56 0.106 1.396 -17.451 1.00 10.33 H new ATOM 0 HE21 GLN A 56 -2.765 2.774 -19.043 1.00 62.52 H new ATOM 0 HE22 GLN A 56 -2.403 2.148 -20.655 1.00 62.52 H new ATOM 901 N SER A 57 0.449 -0.441 -14.945 1.00 74.51 N ATOM 902 CA SER A 57 1.869 -0.618 -14.666 1.00 10.51 C ATOM 903 C SER A 57 2.605 -1.136 -15.898 1.00 13.40 C ATOM 904 O SER A 57 2.002 -1.359 -16.948 1.00 13.40 O ATOM 905 CB SER A 57 2.064 -1.585 -13.497 1.00 5.11 C ATOM 906 OG SER A 57 2.261 -2.910 -13.959 1.00 33.11 O ATOM 0 H SER A 57 -0.073 -1.312 -15.045 1.00 74.51 H new ATOM 0 HA SER A 57 2.285 0.353 -14.398 1.00 10.51 H new ATOM 0 HB2 SER A 57 2.922 -1.273 -12.902 1.00 5.11 H new ATOM 0 HB3 SER A 57 1.193 -1.550 -12.843 1.00 5.11 H new ATOM 0 HG SER A 57 3.212 -3.139 -13.901 1.00 33.11 H new ATOM 912 N LYS A 58 3.913 -1.325 -15.762 1.00 33.11 N ATOM 913 CA LYS A 58 4.733 -1.818 -16.862 1.00 4.03 C ATOM 914 C LYS A 58 4.921 -3.329 -16.766 1.00 53.32 C ATOM 915 O LYS A 58 4.849 -4.038 -17.770 1.00 22.42 O ATOM 916 CB LYS A 58 6.097 -1.123 -16.859 1.00 71.10 C ATOM 917 CG LYS A 58 6.730 -1.020 -18.236 1.00 32.11 C ATOM 918 CD LYS A 58 7.511 -2.276 -18.586 1.00 54.20 C ATOM 919 CE LYS A 58 8.855 -2.313 -17.875 1.00 51.54 C ATOM 920 NZ LYS A 58 9.525 -3.634 -18.025 1.00 3.14 N ATOM 0 H LYS A 58 4.428 -1.144 -14.900 1.00 33.11 H new ATOM 0 HA LYS A 58 4.218 -1.592 -17.796 1.00 4.03 H new ATOM 0 HB2 LYS A 58 5.984 -0.121 -16.444 1.00 71.10 H new ATOM 0 HB3 LYS A 58 6.771 -1.667 -16.198 1.00 71.10 H new ATOM 0 HG2 LYS A 58 5.954 -0.853 -18.983 1.00 32.11 H new ATOM 0 HG3 LYS A 58 7.394 -0.156 -18.268 1.00 32.11 H new ATOM 0 HD2 LYS A 58 6.929 -3.156 -18.312 1.00 54.20 H new ATOM 0 HD3 LYS A 58 7.667 -2.320 -19.664 1.00 54.20 H new ATOM 0 HE2 LYS A 58 9.500 -1.531 -18.276 1.00 51.54 H new ATOM 0 HE3 LYS A 58 8.712 -2.096 -16.816 1.00 51.54 H new ATOM 0 HZ1 LYS A 58 10.438 -3.619 -17.527 1.00 3.14 H new ATOM 0 HZ2 LYS A 58 8.921 -4.377 -17.620 1.00 3.14 H new ATOM 0 HZ3 LYS A 58 9.685 -3.830 -19.034 1.00 3.14 H new ATOM 934 N LYS A 59 5.159 -3.815 -15.553 1.00 64.21 N ATOM 935 CA LYS A 59 5.354 -5.242 -15.325 1.00 62.10 C ATOM 936 C LYS A 59 4.019 -5.980 -15.324 1.00 23.12 C ATOM 937 O LYS A 59 3.976 -7.207 -15.218 1.00 4.55 O ATOM 938 CB LYS A 59 6.078 -5.473 -13.997 1.00 31.15 C ATOM 939 CG LYS A 59 7.576 -5.234 -14.070 1.00 61.25 C ATOM 940 CD LYS A 59 8.335 -6.526 -14.325 1.00 52.35 C ATOM 941 CE LYS A 59 8.101 -7.040 -15.738 1.00 32.14 C ATOM 942 NZ LYS A 59 8.935 -8.236 -16.038 1.00 23.55 N ATOM 0 H LYS A 59 5.222 -3.241 -14.712 1.00 64.21 H new ATOM 0 HA LYS A 59 5.965 -5.634 -16.138 1.00 62.10 H new ATOM 0 HB2 LYS A 59 5.650 -4.815 -13.241 1.00 31.15 H new ATOM 0 HB3 LYS A 59 5.898 -6.496 -13.668 1.00 31.15 H new ATOM 0 HG2 LYS A 59 7.793 -4.520 -14.865 1.00 61.25 H new ATOM 0 HG3 LYS A 59 7.920 -4.787 -13.137 1.00 61.25 H new ATOM 0 HD2 LYS A 59 9.401 -6.360 -14.169 1.00 52.35 H new ATOM 0 HD3 LYS A 59 8.021 -7.282 -13.605 1.00 52.35 H new ATOM 0 HE2 LYS A 59 7.048 -7.291 -15.863 1.00 32.14 H new ATOM 0 HE3 LYS A 59 8.328 -6.250 -16.454 1.00 32.14 H new ATOM 0 HZ1 LYS A 59 8.747 -8.556 -17.010 1.00 23.55 H new ATOM 0 HZ2 LYS A 59 9.941 -7.990 -15.943 1.00 23.55 H new ATOM 0 HZ3 LYS A 59 8.701 -8.999 -15.371 1.00 23.55 H new ATOM 956 N LEU A 60 2.932 -5.227 -15.444 1.00 11.40 N ATOM 957 CA LEU A 60 1.595 -5.810 -15.458 1.00 52.34 C ATOM 958 C LEU A 60 1.549 -7.045 -16.352 1.00 50.11 C ATOM 959 O LEU A 60 1.902 -6.985 -17.530 1.00 12.31 O ATOM 960 CB LEU A 60 0.573 -4.779 -15.941 1.00 13.11 C ATOM 961 CG LEU A 60 0.492 -4.571 -17.454 1.00 32.23 C ATOM 962 CD1 LEU A 60 -0.614 -3.586 -17.799 1.00 34.22 C ATOM 963 CD2 LEU A 60 1.828 -4.087 -17.998 1.00 20.42 C ATOM 0 H LEU A 60 2.950 -4.211 -15.533 1.00 11.40 H new ATOM 0 HA LEU A 60 1.346 -6.111 -14.440 1.00 52.34 H new ATOM 0 HB2 LEU A 60 -0.412 -5.078 -15.582 1.00 13.11 H new ATOM 0 HB3 LEU A 60 0.805 -3.821 -15.475 1.00 13.11 H new ATOM 0 HG LEU A 60 0.257 -5.528 -17.921 1.00 32.23 H new ATOM 0 HD11 LEU A 60 -0.657 -3.451 -18.880 1.00 34.22 H new ATOM 0 HD12 LEU A 60 -1.569 -3.973 -17.444 1.00 34.22 H new ATOM 0 HD13 LEU A 60 -0.410 -2.628 -17.321 1.00 34.22 H new ATOM 0 HD21 LEU A 60 1.752 -3.944 -19.076 1.00 20.42 H new ATOM 0 HD22 LEU A 60 2.093 -3.141 -17.525 1.00 20.42 H new ATOM 0 HD23 LEU A 60 2.598 -4.828 -17.784 1.00 20.42 H new ATOM 975 N SER A 61 1.110 -8.164 -15.784 1.00 50.25 N ATOM 976 CA SER A 61 1.019 -9.414 -16.529 1.00 62.13 C ATOM 977 C SER A 61 -0.437 -9.794 -16.777 1.00 74.23 C ATOM 978 O SER A 61 -1.316 -9.482 -15.975 1.00 12.23 O ATOM 979 CB SER A 61 1.729 -10.537 -15.770 1.00 60.05 C ATOM 980 OG SER A 61 2.495 -11.342 -16.650 1.00 74.30 O ATOM 0 H SER A 61 0.812 -8.230 -14.811 1.00 50.25 H new ATOM 0 HA SER A 61 1.508 -9.270 -17.493 1.00 62.13 H new ATOM 0 HB2 SER A 61 2.378 -10.110 -15.005 1.00 60.05 H new ATOM 0 HB3 SER A 61 0.993 -11.154 -15.255 1.00 60.05 H new ATOM 0 HG SER A 61 2.940 -12.051 -16.141 1.00 74.30 H new ATOM 986 N GLU A 62 -0.684 -10.470 -17.895 1.00 20.40 N ATOM 987 CA GLU A 62 -2.034 -10.893 -18.250 1.00 1.55 C ATOM 988 C GLU A 62 -2.504 -12.028 -17.345 1.00 12.12 C ATOM 989 O GLU A 62 -3.674 -12.089 -16.964 1.00 20.53 O ATOM 990 CB GLU A 62 -2.085 -11.337 -19.713 1.00 34.03 C ATOM 991 CG GLU A 62 -2.330 -10.197 -20.687 1.00 33.01 C ATOM 992 CD GLU A 62 -2.660 -10.684 -22.084 1.00 70.54 C ATOM 993 OE1 GLU A 62 -3.748 -11.270 -22.266 1.00 52.35 O ATOM 994 OE2 GLU A 62 -1.831 -10.481 -22.995 1.00 64.34 O ATOM 0 H GLU A 62 0.033 -10.736 -18.570 1.00 20.40 H new ATOM 0 HA GLU A 62 -2.702 -10.042 -18.113 1.00 1.55 H new ATOM 0 HB2 GLU A 62 -1.145 -11.826 -19.968 1.00 34.03 H new ATOM 0 HB3 GLU A 62 -2.873 -12.080 -19.831 1.00 34.03 H new ATOM 0 HG2 GLU A 62 -3.149 -9.579 -20.319 1.00 33.01 H new ATOM 0 HG3 GLU A 62 -1.445 -9.562 -20.727 1.00 33.01 H new ATOM 1001 N LEU A 63 -1.585 -12.925 -17.005 1.00 52.11 N ATOM 1002 CA LEU A 63 -1.904 -14.059 -16.145 1.00 75.55 C ATOM 1003 C LEU A 63 -1.844 -13.662 -14.674 1.00 52.22 C ATOM 1004 O LEU A 63 -1.677 -12.487 -14.344 1.00 33.20 O ATOM 1005 CB LEU A 63 -0.939 -15.215 -16.413 1.00 64.12 C ATOM 1006 CG LEU A 63 -0.918 -15.755 -17.844 1.00 1.14 C ATOM 1007 CD1 LEU A 63 -2.332 -15.875 -18.389 1.00 74.33 C ATOM 1008 CD2 LEU A 63 -0.073 -14.860 -18.739 1.00 72.31 C ATOM 0 H LEU A 63 -0.613 -12.889 -17.312 1.00 52.11 H new ATOM 0 HA LEU A 63 -2.920 -14.381 -16.373 1.00 75.55 H new ATOM 0 HB2 LEU A 63 0.068 -14.888 -16.155 1.00 64.12 H new ATOM 0 HB3 LEU A 63 -1.190 -16.035 -15.740 1.00 64.12 H new ATOM 0 HG LEU A 63 -0.470 -16.749 -17.831 1.00 1.14 H new ATOM 0 HD11 LEU A 63 -2.298 -16.261 -19.408 1.00 74.33 H new ATOM 0 HD12 LEU A 63 -2.907 -16.557 -17.762 1.00 74.33 H new ATOM 0 HD13 LEU A 63 -2.807 -14.894 -18.388 1.00 74.33 H new ATOM 0 HD21 LEU A 63 -0.069 -15.259 -19.753 1.00 72.31 H new ATOM 0 HD22 LEU A 63 -0.492 -13.854 -18.747 1.00 72.31 H new ATOM 0 HD23 LEU A 63 0.948 -14.825 -18.359 1.00 72.31 H new ATOM 1020 N HIS A 64 -1.979 -14.648 -13.794 1.00 33.53 N ATOM 1021 CA HIS A 64 -1.937 -14.402 -12.357 1.00 13.13 C ATOM 1022 C HIS A 64 -3.116 -13.537 -11.919 1.00 62.32 C ATOM 1023 O HIS A 64 -2.965 -12.361 -11.588 1.00 21.12 O ATOM 1024 CB HIS A 64 -0.622 -13.724 -11.972 1.00 41.35 C ATOM 1025 CG HIS A 64 0.585 -14.372 -12.577 1.00 42.15 C ATOM 1026 ND1 HIS A 64 0.730 -15.739 -12.688 1.00 54.20 N ATOM 1027 CD2 HIS A 64 1.707 -13.832 -13.108 1.00 64.31 C ATOM 1028 CE1 HIS A 64 1.889 -16.012 -13.259 1.00 2.01 C ATOM 1029 NE2 HIS A 64 2.502 -14.872 -13.524 1.00 72.32 N ATOM 0 H HIS A 64 -2.118 -15.625 -14.050 1.00 33.53 H new ATOM 0 HA HIS A 64 -2.004 -15.363 -11.847 1.00 13.13 H new ATOM 0 HB2 HIS A 64 -0.657 -12.679 -12.281 1.00 41.35 H new ATOM 0 HB3 HIS A 64 -0.523 -13.732 -10.887 1.00 41.35 H new ATOM 0 HD2 HIS A 64 1.935 -12.779 -13.189 1.00 64.31 H new ATOM 0 HE1 HIS A 64 2.271 -16.999 -13.473 1.00 2.01 H new ATOM 0 HE2 HIS A 64 3.417 -14.779 -13.966 1.00 72.32 H new ATOM 1037 N PRO A 65 -4.318 -14.132 -11.918 1.00 53.41 N ATOM 1038 CA PRO A 65 -5.546 -13.434 -11.524 1.00 3.11 C ATOM 1039 C PRO A 65 -5.586 -13.130 -10.030 1.00 64.11 C ATOM 1040 O PRO A 65 -6.213 -12.162 -9.601 1.00 72.54 O ATOM 1041 CB PRO A 65 -6.652 -14.423 -11.898 1.00 60.41 C ATOM 1042 CG PRO A 65 -5.993 -15.759 -11.865 1.00 2.04 C ATOM 1043 CD PRO A 65 -4.572 -15.531 -12.301 1.00 51.41 C ATOM 0 HA PRO A 65 -5.639 -12.465 -12.014 1.00 3.11 H new ATOM 0 HB2 PRO A 65 -7.482 -14.374 -11.193 1.00 60.41 H new ATOM 0 HB3 PRO A 65 -7.059 -14.207 -12.886 1.00 60.41 H new ATOM 0 HG2 PRO A 65 -6.030 -16.188 -10.863 1.00 2.04 H new ATOM 0 HG3 PRO A 65 -6.498 -16.460 -12.530 1.00 2.04 H new ATOM 0 HD2 PRO A 65 -3.884 -16.215 -11.804 1.00 51.41 H new ATOM 0 HD3 PRO A 65 -4.452 -15.682 -13.374 1.00 51.41 H new ATOM 1051 N GLU A 66 -4.911 -13.963 -9.243 1.00 54.12 N ATOM 1052 CA GLU A 66 -4.871 -13.782 -7.797 1.00 32.01 C ATOM 1053 C GLU A 66 -4.355 -12.392 -7.437 1.00 25.15 C ATOM 1054 O GLU A 66 -4.703 -11.841 -6.393 1.00 55.23 O ATOM 1055 CB GLU A 66 -3.986 -14.850 -7.151 1.00 71.34 C ATOM 1056 CG GLU A 66 -4.367 -15.170 -5.716 1.00 22.04 C ATOM 1057 CD GLU A 66 -3.203 -15.715 -4.911 1.00 2.01 C ATOM 1058 OE1 GLU A 66 -2.110 -15.888 -5.491 1.00 55.43 O ATOM 1059 OE2 GLU A 66 -3.384 -15.969 -3.702 1.00 1.01 O ATOM 0 H GLU A 66 -4.385 -14.768 -9.582 1.00 54.12 H new ATOM 0 HA GLU A 66 -5.887 -13.884 -7.416 1.00 32.01 H new ATOM 0 HB2 GLU A 66 -4.041 -15.763 -7.745 1.00 71.34 H new ATOM 0 HB3 GLU A 66 -2.949 -14.515 -7.177 1.00 71.34 H new ATOM 0 HG2 GLU A 66 -4.746 -14.268 -5.235 1.00 22.04 H new ATOM 0 HG3 GLU A 66 -5.178 -15.898 -5.713 1.00 22.04 H new ATOM 1066 N GLU A 67 -3.521 -11.833 -8.308 1.00 4.22 N ATOM 1067 CA GLU A 67 -2.955 -10.508 -8.081 1.00 22.35 C ATOM 1068 C GLU A 67 -3.999 -9.422 -8.323 1.00 45.22 C ATOM 1069 O GLU A 67 -4.058 -8.430 -7.596 1.00 34.31 O ATOM 1070 CB GLU A 67 -1.746 -10.282 -8.992 1.00 33.45 C ATOM 1071 CG GLU A 67 -0.769 -11.446 -9.007 1.00 34.15 C ATOM 1072 CD GLU A 67 0.494 -11.137 -9.786 1.00 71.33 C ATOM 1073 OE1 GLU A 67 0.509 -10.120 -10.510 1.00 45.34 O ATOM 1074 OE2 GLU A 67 1.466 -11.912 -9.673 1.00 22.40 O ATOM 0 H GLU A 67 -3.222 -12.276 -9.177 1.00 4.22 H new ATOM 0 HA GLU A 67 -2.632 -10.452 -7.041 1.00 22.35 H new ATOM 0 HB2 GLU A 67 -2.096 -10.100 -10.008 1.00 33.45 H new ATOM 0 HB3 GLU A 67 -1.222 -9.383 -8.669 1.00 33.45 H new ATOM 0 HG2 GLU A 67 -0.505 -11.707 -7.982 1.00 34.15 H new ATOM 0 HG3 GLU A 67 -1.256 -12.319 -9.443 1.00 34.15 H new ATOM 1081 N ARG A 68 -4.819 -9.616 -9.351 1.00 24.32 N ATOM 1082 CA ARG A 68 -5.859 -8.653 -9.691 1.00 63.11 C ATOM 1083 C ARG A 68 -6.752 -8.369 -8.487 1.00 31.50 C ATOM 1084 O ARG A 68 -7.003 -7.214 -8.145 1.00 14.21 O ATOM 1085 CB ARG A 68 -6.704 -9.173 -10.855 1.00 61.14 C ATOM 1086 CG ARG A 68 -6.530 -8.376 -12.138 1.00 22.21 C ATOM 1087 CD ARG A 68 -6.295 -9.287 -13.332 1.00 73.45 C ATOM 1088 NE ARG A 68 -7.270 -10.373 -13.393 1.00 33.05 N ATOM 1089 CZ ARG A 68 -7.191 -11.385 -14.249 1.00 73.30 C ATOM 1090 NH1 ARG A 68 -6.187 -11.450 -15.113 1.00 34.54 N ATOM 1091 NH2 ARG A 68 -8.118 -12.335 -14.242 1.00 65.44 N ATOM 0 H ARG A 68 -4.783 -10.431 -9.963 1.00 24.32 H new ATOM 0 HA ARG A 68 -5.375 -7.723 -9.989 1.00 63.11 H new ATOM 0 HB2 ARG A 68 -6.443 -10.214 -11.046 1.00 61.14 H new ATOM 0 HB3 ARG A 68 -7.755 -9.156 -10.566 1.00 61.14 H new ATOM 0 HG2 ARG A 68 -7.417 -7.767 -12.313 1.00 22.21 H new ATOM 0 HG3 ARG A 68 -5.689 -7.691 -12.031 1.00 22.21 H new ATOM 0 HD2 ARG A 68 -6.347 -8.702 -14.250 1.00 73.45 H new ATOM 0 HD3 ARG A 68 -5.290 -9.705 -13.277 1.00 73.45 H new ATOM 0 HE ARG A 68 -8.055 -10.353 -12.742 1.00 33.05 H new ATOM 0 HH11 ARG A 68 -5.473 -10.722 -15.121 1.00 34.54 H new ATOM 0 HH12 ARG A 68 -6.129 -12.228 -15.769 1.00 34.54 H new ATOM 0 HH21 ARG A 68 -8.892 -12.288 -13.579 1.00 65.44 H new ATOM 0 HH22 ARG A 68 -8.057 -13.112 -14.900 1.00 65.44 H new ATOM 1105 N LYS A 69 -7.230 -9.432 -7.848 1.00 23.01 N ATOM 1106 CA LYS A 69 -8.094 -9.299 -6.681 1.00 75.15 C ATOM 1107 C LYS A 69 -7.342 -8.666 -5.515 1.00 61.24 C ATOM 1108 O LYS A 69 -7.887 -7.835 -4.789 1.00 31.33 O ATOM 1109 CB LYS A 69 -8.640 -10.667 -6.267 1.00 75.43 C ATOM 1110 CG LYS A 69 -7.558 -11.699 -6.001 1.00 20.03 C ATOM 1111 CD LYS A 69 -8.152 -13.049 -5.636 1.00 70.22 C ATOM 1112 CE LYS A 69 -8.848 -13.005 -4.284 1.00 60.35 C ATOM 1113 NZ LYS A 69 -8.958 -14.359 -3.673 1.00 53.32 N ATOM 0 H LYS A 69 -7.033 -10.395 -8.119 1.00 23.01 H new ATOM 0 HA LYS A 69 -8.926 -8.648 -6.949 1.00 75.15 H new ATOM 0 HB2 LYS A 69 -9.247 -10.550 -5.369 1.00 75.43 H new ATOM 0 HB3 LYS A 69 -9.299 -11.038 -7.052 1.00 75.43 H new ATOM 0 HG2 LYS A 69 -6.929 -11.804 -6.885 1.00 20.03 H new ATOM 0 HG3 LYS A 69 -6.915 -11.353 -5.192 1.00 20.03 H new ATOM 0 HD2 LYS A 69 -8.864 -13.354 -6.403 1.00 70.22 H new ATOM 0 HD3 LYS A 69 -7.363 -13.801 -5.616 1.00 70.22 H new ATOM 0 HE2 LYS A 69 -8.296 -12.347 -3.613 1.00 60.35 H new ATOM 0 HE3 LYS A 69 -9.844 -12.578 -4.402 1.00 60.35 H new ATOM 0 HZ1 LYS A 69 -9.438 -14.287 -2.753 1.00 53.32 H new ATOM 0 HZ2 LYS A 69 -9.506 -14.980 -4.302 1.00 53.32 H new ATOM 0 HZ3 LYS A 69 -8.007 -14.757 -3.537 1.00 53.32 H new ATOM 1127 N LYS A 70 -6.086 -9.063 -5.343 1.00 24.12 N ATOM 1128 CA LYS A 70 -5.256 -8.533 -4.267 1.00 73.10 C ATOM 1129 C LYS A 70 -5.175 -7.012 -4.341 1.00 54.34 C ATOM 1130 O LYS A 70 -5.443 -6.317 -3.361 1.00 73.10 O ATOM 1131 CB LYS A 70 -3.850 -9.133 -4.336 1.00 72.24 C ATOM 1132 CG LYS A 70 -3.120 -9.127 -3.005 1.00 2.33 C ATOM 1133 CD LYS A 70 -2.125 -10.271 -2.909 1.00 4.00 C ATOM 1134 CE LYS A 70 -2.821 -11.592 -2.621 1.00 64.41 C ATOM 1135 NZ LYS A 70 -2.043 -12.753 -3.136 1.00 44.15 N ATOM 0 H LYS A 70 -5.620 -9.750 -5.935 1.00 24.12 H new ATOM 0 HA LYS A 70 -5.716 -8.809 -3.318 1.00 73.10 H new ATOM 0 HB2 LYS A 70 -3.919 -10.159 -4.698 1.00 72.24 H new ATOM 0 HB3 LYS A 70 -3.262 -8.576 -5.066 1.00 72.24 H new ATOM 0 HG2 LYS A 70 -2.598 -8.178 -2.880 1.00 2.33 H new ATOM 0 HG3 LYS A 70 -3.843 -9.203 -2.192 1.00 2.33 H new ATOM 0 HD2 LYS A 70 -1.567 -10.348 -3.842 1.00 4.00 H new ATOM 0 HD3 LYS A 70 -1.402 -10.060 -2.121 1.00 4.00 H new ATOM 0 HE2 LYS A 70 -2.965 -11.700 -1.546 1.00 64.41 H new ATOM 0 HE3 LYS A 70 -3.811 -11.588 -3.077 1.00 64.41 H new ATOM 0 HZ1 LYS A 70 -2.551 -13.635 -2.920 1.00 44.15 H new ATOM 0 HZ2 LYS A 70 -1.927 -12.664 -4.166 1.00 44.15 H new ATOM 0 HZ3 LYS A 70 -1.107 -12.772 -2.683 1.00 44.15 H new ATOM 1149 N VAL A 71 -4.806 -6.500 -5.511 1.00 44.31 N ATOM 1150 CA VAL A 71 -4.692 -5.060 -5.714 1.00 72.41 C ATOM 1151 C VAL A 71 -6.060 -4.389 -5.662 1.00 42.35 C ATOM 1152 O VAL A 71 -6.188 -3.253 -5.206 1.00 2.51 O ATOM 1153 CB VAL A 71 -4.023 -4.735 -7.063 1.00 10.34 C ATOM 1154 CG1 VAL A 71 -2.601 -5.273 -7.097 1.00 3.21 C ATOM 1155 CG2 VAL A 71 -4.843 -5.298 -8.213 1.00 62.25 C ATOM 0 H VAL A 71 -4.581 -7.061 -6.333 1.00 44.31 H new ATOM 0 HA VAL A 71 -4.070 -4.674 -4.907 1.00 72.41 H new ATOM 0 HB VAL A 71 -3.978 -3.652 -7.175 1.00 10.34 H new ATOM 0 HG11 VAL A 71 -2.144 -5.034 -8.057 1.00 3.21 H new ATOM 0 HG12 VAL A 71 -2.020 -4.817 -6.295 1.00 3.21 H new ATOM 0 HG13 VAL A 71 -2.618 -6.355 -6.962 1.00 3.21 H new ATOM 0 HG21 VAL A 71 -4.356 -5.059 -9.158 1.00 62.25 H new ATOM 0 HG22 VAL A 71 -4.921 -6.380 -8.108 1.00 62.25 H new ATOM 0 HG23 VAL A 71 -5.841 -4.859 -8.198 1.00 62.25 H new ATOM 1165 N ARG A 72 -7.080 -5.099 -6.133 1.00 42.22 N ATOM 1166 CA ARG A 72 -8.439 -4.571 -6.141 1.00 62.04 C ATOM 1167 C ARG A 72 -8.879 -4.181 -4.733 1.00 73.44 C ATOM 1168 O ARG A 72 -9.311 -3.054 -4.498 1.00 55.43 O ATOM 1169 CB ARG A 72 -9.406 -5.604 -6.722 1.00 52.25 C ATOM 1170 CG ARG A 72 -10.149 -5.116 -7.956 1.00 31.34 C ATOM 1171 CD ARG A 72 -9.514 -5.643 -9.233 1.00 73.20 C ATOM 1172 NE ARG A 72 -9.883 -7.032 -9.495 1.00 55.44 N ATOM 1173 CZ ARG A 72 -11.107 -7.413 -9.846 1.00 23.23 C ATOM 1174 NH1 ARG A 72 -12.073 -6.515 -9.975 1.00 52.04 N ATOM 1175 NH2 ARG A 72 -11.365 -8.696 -10.068 1.00 1.34 N ATOM 0 H ARG A 72 -6.991 -6.041 -6.514 1.00 42.22 H new ATOM 0 HA ARG A 72 -8.452 -3.679 -6.767 1.00 62.04 H new ATOM 0 HB2 ARG A 72 -8.851 -6.507 -6.976 1.00 52.25 H new ATOM 0 HB3 ARG A 72 -10.132 -5.881 -5.957 1.00 52.25 H new ATOM 0 HG2 ARG A 72 -11.189 -5.437 -7.906 1.00 31.34 H new ATOM 0 HG3 ARG A 72 -10.152 -4.026 -7.973 1.00 31.34 H new ATOM 0 HD2 ARG A 72 -9.821 -5.021 -10.074 1.00 73.20 H new ATOM 0 HD3 ARG A 72 -8.429 -5.564 -9.158 1.00 73.20 H new ATOM 0 HE ARG A 72 -9.162 -7.748 -9.404 1.00 55.44 H new ATOM 0 HH11 ARG A 72 -11.878 -5.528 -9.805 1.00 52.04 H new ATOM 0 HH12 ARG A 72 -13.011 -6.810 -10.245 1.00 52.04 H new ATOM 0 HH21 ARG A 72 -10.624 -9.390 -9.969 1.00 1.34 H new ATOM 0 HH22 ARG A 72 -12.304 -8.988 -10.337 1.00 1.34 H new ATOM 1189 N GLU A 73 -8.767 -5.123 -3.802 1.00 24.03 N ATOM 1190 CA GLU A 73 -9.155 -4.878 -2.418 1.00 3.33 C ATOM 1191 C GLU A 73 -8.179 -3.919 -1.741 1.00 32.11 C ATOM 1192 O GLU A 73 -8.581 -3.045 -0.972 1.00 74.52 O ATOM 1193 CB GLU A 73 -9.215 -6.194 -1.641 1.00 31.34 C ATOM 1194 CG GLU A 73 -7.900 -6.955 -1.628 1.00 44.32 C ATOM 1195 CD GLU A 73 -8.049 -8.371 -1.107 1.00 53.14 C ATOM 1196 OE1 GLU A 73 -9.164 -8.925 -1.210 1.00 23.31 O ATOM 1197 OE2 GLU A 73 -7.053 -8.925 -0.597 1.00 40.55 O ATOM 0 H GLU A 73 -8.411 -6.062 -3.981 1.00 24.03 H new ATOM 0 HA GLU A 73 -10.144 -4.421 -2.421 1.00 3.33 H new ATOM 0 HB2 GLU A 73 -9.515 -5.986 -0.614 1.00 31.34 H new ATOM 0 HB3 GLU A 73 -9.987 -6.828 -2.076 1.00 31.34 H new ATOM 0 HG2 GLU A 73 -7.492 -6.985 -2.638 1.00 44.32 H new ATOM 0 HG3 GLU A 73 -7.180 -6.418 -1.010 1.00 44.32 H new ATOM 1204 N LYS A 74 -6.894 -4.089 -2.032 1.00 21.43 N ATOM 1205 CA LYS A 74 -5.859 -3.241 -1.453 1.00 51.42 C ATOM 1206 C LYS A 74 -6.106 -1.774 -1.792 1.00 13.04 C ATOM 1207 O LYS A 74 -6.147 -0.920 -0.905 1.00 71.43 O ATOM 1208 CB LYS A 74 -4.479 -3.666 -1.960 1.00 32.42 C ATOM 1209 CG LYS A 74 -3.330 -3.078 -1.161 1.00 4.54 C ATOM 1210 CD LYS A 74 -3.110 -3.832 0.140 1.00 72.32 C ATOM 1211 CE LYS A 74 -2.366 -5.138 -0.092 1.00 63.14 C ATOM 1212 NZ LYS A 74 -0.915 -4.913 -0.341 1.00 41.45 N ATOM 0 H LYS A 74 -6.544 -4.807 -2.666 1.00 21.43 H new ATOM 0 HA LYS A 74 -5.893 -3.357 -0.370 1.00 51.42 H new ATOM 0 HB2 LYS A 74 -4.410 -4.753 -1.933 1.00 32.42 H new ATOM 0 HB3 LYS A 74 -4.376 -3.366 -3.003 1.00 32.42 H new ATOM 0 HG2 LYS A 74 -2.418 -3.107 -1.758 1.00 4.54 H new ATOM 0 HG3 LYS A 74 -3.536 -2.030 -0.944 1.00 4.54 H new ATOM 0 HD2 LYS A 74 -2.545 -3.208 0.832 1.00 72.32 H new ATOM 0 HD3 LYS A 74 -4.072 -4.038 0.609 1.00 72.32 H new ATOM 0 HE2 LYS A 74 -2.489 -5.785 0.776 1.00 63.14 H new ATOM 0 HE3 LYS A 74 -2.804 -5.659 -0.943 1.00 63.14 H new ATOM 0 HZ1 LYS A 74 -0.417 -5.826 -0.343 1.00 41.45 H new ATOM 0 HZ2 LYS A 74 -0.789 -4.448 -1.263 1.00 41.45 H new ATOM 0 HZ3 LYS A 74 -0.524 -4.307 0.408 1.00 41.45 H new ATOM 1226 N PHE A 75 -6.272 -1.488 -3.079 1.00 30.32 N ATOM 1227 CA PHE A 75 -6.516 -0.125 -3.534 1.00 1.50 C ATOM 1228 C PHE A 75 -7.886 0.366 -3.074 1.00 24.35 C ATOM 1229 O PHE A 75 -8.067 1.547 -2.777 1.00 62.14 O ATOM 1230 CB PHE A 75 -6.421 -0.049 -5.059 1.00 42.42 C ATOM 1231 CG PHE A 75 -7.740 0.207 -5.730 1.00 50.21 C ATOM 1232 CD1 PHE A 75 -8.208 1.501 -5.897 1.00 33.54 C ATOM 1233 CD2 PHE A 75 -8.512 -0.846 -6.194 1.00 11.22 C ATOM 1234 CE1 PHE A 75 -9.422 1.740 -6.514 1.00 22.51 C ATOM 1235 CE2 PHE A 75 -9.726 -0.613 -6.812 1.00 40.12 C ATOM 1236 CZ PHE A 75 -10.182 0.681 -6.971 1.00 40.14 C ATOM 0 H PHE A 75 -6.242 -2.183 -3.825 1.00 30.32 H new ATOM 0 HA PHE A 75 -5.753 0.519 -3.096 1.00 1.50 H new ATOM 0 HB2 PHE A 75 -5.724 0.743 -5.333 1.00 42.42 H new ATOM 0 HB3 PHE A 75 -6.006 -0.984 -5.436 1.00 42.42 H new ATOM 0 HD1 PHE A 75 -7.617 2.332 -5.541 1.00 33.54 H new ATOM 0 HD2 PHE A 75 -8.161 -1.860 -6.071 1.00 11.22 H new ATOM 0 HE1 PHE A 75 -9.775 2.753 -6.638 1.00 22.51 H new ATOM 0 HE2 PHE A 75 -10.318 -1.442 -7.170 1.00 40.12 H new ATOM 0 HZ PHE A 75 -11.131 0.865 -7.452 1.00 40.14 H new ATOM 1246 N ASP A 76 -8.846 -0.550 -3.017 1.00 14.24 N ATOM 1247 CA ASP A 76 -10.200 -0.212 -2.592 1.00 71.21 C ATOM 1248 C ASP A 76 -10.200 0.351 -1.174 1.00 75.23 C ATOM 1249 O ASP A 76 -10.845 1.362 -0.899 1.00 1.23 O ATOM 1250 CB ASP A 76 -11.103 -1.445 -2.665 1.00 3.11 C ATOM 1251 CG ASP A 76 -12.001 -1.434 -3.886 1.00 43.43 C ATOM 1252 OD1 ASP A 76 -12.528 -0.353 -4.226 1.00 21.33 O ATOM 1253 OD2 ASP A 76 -12.176 -2.505 -4.503 1.00 45.14 O ATOM 0 H ASP A 76 -8.712 -1.532 -3.259 1.00 14.24 H new ATOM 0 HA ASP A 76 -10.586 0.552 -3.267 1.00 71.21 H new ATOM 0 HB2 ASP A 76 -10.486 -2.343 -2.680 1.00 3.11 H new ATOM 0 HB3 ASP A 76 -11.718 -1.495 -1.766 1.00 3.11 H new ATOM 1258 N GLU A 77 -9.475 -0.312 -0.279 1.00 64.15 N ATOM 1259 CA GLU A 77 -9.394 0.122 1.110 1.00 5.02 C ATOM 1260 C GLU A 77 -8.554 1.390 1.236 1.00 53.31 C ATOM 1261 O GLU A 77 -8.948 2.344 1.906 1.00 54.15 O ATOM 1262 CB GLU A 77 -8.796 -0.986 1.980 1.00 73.10 C ATOM 1263 CG GLU A 77 -9.628 -2.257 2.002 1.00 31.42 C ATOM 1264 CD GLU A 77 -8.811 -3.483 2.364 1.00 15.21 C ATOM 1265 OE1 GLU A 77 -7.746 -3.321 2.995 1.00 60.32 O ATOM 1266 OE2 GLU A 77 -9.239 -4.604 2.016 1.00 2.44 O ATOM 0 H GLU A 77 -8.936 -1.151 -0.491 1.00 64.15 H new ATOM 0 HA GLU A 77 -10.405 0.340 1.455 1.00 5.02 H new ATOM 0 HB2 GLU A 77 -7.796 -1.222 1.616 1.00 73.10 H new ATOM 0 HB3 GLU A 77 -8.685 -0.616 2.999 1.00 73.10 H new ATOM 0 HG2 GLU A 77 -10.441 -2.142 2.719 1.00 31.42 H new ATOM 0 HG3 GLU A 77 -10.084 -2.405 1.023 1.00 31.42 H new ATOM 1273 N ASN A 78 -7.394 1.392 0.587 1.00 54.11 N ATOM 1274 CA ASN A 78 -6.498 2.542 0.626 1.00 32.14 C ATOM 1275 C ASN A 78 -7.224 3.813 0.195 1.00 70.51 C ATOM 1276 O ASN A 78 -7.027 4.880 0.775 1.00 22.13 O ATOM 1277 CB ASN A 78 -5.287 2.302 -0.276 1.00 65.34 C ATOM 1278 CG ASN A 78 -4.174 3.303 -0.030 1.00 33.41 C ATOM 1279 OD1 ASN A 78 -4.059 4.305 -0.735 1.00 64.02 O ATOM 1280 ND2 ASN A 78 -3.349 3.034 0.975 1.00 11.34 N ATOM 0 H ASN A 78 -7.053 0.610 0.028 1.00 54.11 H new ATOM 0 HA ASN A 78 -6.157 2.671 1.653 1.00 32.14 H new ATOM 0 HB2 ASN A 78 -4.908 1.294 -0.110 1.00 65.34 H new ATOM 0 HB3 ASN A 78 -5.598 2.358 -1.319 1.00 65.34 H new ATOM 0 HD21 ASN A 78 -2.581 3.671 1.189 1.00 11.34 H new ATOM 0 HD22 ASN A 78 -3.483 2.191 1.533 1.00 11.34 H new ATOM 1287 N SER A 79 -8.065 3.689 -0.827 1.00 41.12 N ATOM 1288 CA SER A 79 -8.818 4.828 -1.339 1.00 72.21 C ATOM 1289 C SER A 79 -9.982 5.170 -0.413 1.00 63.12 C ATOM 1290 O SER A 79 -10.223 6.338 -0.107 1.00 72.35 O ATOM 1291 CB SER A 79 -9.341 4.530 -2.745 1.00 75.54 C ATOM 1292 OG SER A 79 -10.727 4.235 -2.722 1.00 54.11 O ATOM 0 H SER A 79 -8.242 2.812 -1.316 1.00 41.12 H new ATOM 0 HA SER A 79 -8.147 5.686 -1.383 1.00 72.21 H new ATOM 0 HB2 SER A 79 -9.159 5.387 -3.393 1.00 75.54 H new ATOM 0 HB3 SER A 79 -8.794 3.688 -3.169 1.00 75.54 H new ATOM 0 HG SER A 79 -11.037 4.050 -3.633 1.00 54.11 H new ATOM 1298 N ARG A 80 -10.699 4.143 0.029 1.00 32.54 N ATOM 1299 CA ARG A 80 -11.838 4.333 0.919 1.00 12.12 C ATOM 1300 C ARG A 80 -11.377 4.762 2.309 1.00 24.41 C ATOM 1301 O ARG A 80 -12.189 5.130 3.157 1.00 24.02 O ATOM 1302 CB ARG A 80 -12.657 3.045 1.017 1.00 74.12 C ATOM 1303 CG ARG A 80 -12.200 2.115 2.129 1.00 52.11 C ATOM 1304 CD ARG A 80 -12.994 2.342 3.406 1.00 72.50 C ATOM 1305 NE ARG A 80 -13.226 1.097 4.134 1.00 33.00 N ATOM 1306 CZ ARG A 80 -13.696 1.049 5.376 1.00 60.53 C ATOM 1307 NH1 ARG A 80 -13.982 2.169 6.024 1.00 54.12 N ATOM 1308 NH2 ARG A 80 -13.880 -0.123 5.971 1.00 15.23 N ATOM 0 H ARG A 80 -10.512 3.170 -0.214 1.00 32.54 H new ATOM 0 HA ARG A 80 -12.464 5.123 0.503 1.00 12.12 H new ATOM 0 HB2 ARG A 80 -13.704 3.302 1.177 1.00 74.12 H new ATOM 0 HB3 ARG A 80 -12.601 2.515 0.066 1.00 74.12 H new ATOM 0 HG2 ARG A 80 -12.313 1.079 1.808 1.00 52.11 H new ATOM 0 HG3 ARG A 80 -11.140 2.274 2.325 1.00 52.11 H new ATOM 0 HD2 ARG A 80 -12.458 3.042 4.047 1.00 72.50 H new ATOM 0 HD3 ARG A 80 -13.951 2.803 3.161 1.00 72.50 H new ATOM 0 HE ARG A 80 -13.016 0.217 3.663 1.00 33.00 H new ATOM 0 HH11 ARG A 80 -13.842 3.071 5.569 1.00 54.12 H new ATOM 0 HH12 ARG A 80 -14.343 2.129 6.977 1.00 54.12 H new ATOM 0 HH21 ARG A 80 -13.661 -0.987 5.475 1.00 15.23 H new ATOM 0 HH22 ARG A 80 -14.241 -0.160 6.924 1.00 15.23 H new ATOM 1322 N MET A 81 -10.068 4.710 2.534 1.00 21.34 N ATOM 1323 CA MET A 81 -9.499 5.093 3.821 1.00 4.11 C ATOM 1324 C MET A 81 -10.188 6.338 4.372 1.00 70.55 C ATOM 1325 O MET A 81 -10.663 7.181 3.612 1.00 43.41 O ATOM 1326 CB MET A 81 -7.996 5.347 3.683 1.00 53.21 C ATOM 1327 CG MET A 81 -7.154 4.087 3.797 1.00 2.12 C ATOM 1328 SD MET A 81 -6.305 3.960 5.383 1.00 40.51 S ATOM 1329 CE MET A 81 -7.044 2.469 6.044 1.00 22.13 C ATOM 0 H MET A 81 -9.382 4.407 1.843 1.00 21.34 H new ATOM 0 HA MET A 81 -9.659 4.272 4.519 1.00 4.11 H new ATOM 0 HB2 MET A 81 -7.802 5.818 2.719 1.00 53.21 H new ATOM 0 HB3 MET A 81 -7.683 6.054 4.451 1.00 53.21 H new ATOM 0 HG2 MET A 81 -7.793 3.214 3.660 1.00 2.12 H new ATOM 0 HG3 MET A 81 -6.418 4.073 2.993 1.00 2.12 H new ATOM 0 HE1 MET A 81 -6.620 2.257 7.026 1.00 22.13 H new ATOM 0 HE2 MET A 81 -8.121 2.607 6.136 1.00 22.13 H new ATOM 0 HE3 MET A 81 -6.841 1.634 5.373 1.00 22.13 H new ATOM 1339 N GLN A 82 -10.239 6.444 5.695 1.00 32.34 N ATOM 1340 CA GLN A 82 -10.872 7.585 6.346 1.00 61.01 C ATOM 1341 C GLN A 82 -10.335 8.898 5.785 1.00 20.30 C ATOM 1342 O GLN A 82 -9.184 8.976 5.354 1.00 32.22 O ATOM 1343 CB GLN A 82 -10.641 7.530 7.857 1.00 12.00 C ATOM 1344 CG GLN A 82 -11.099 6.229 8.495 1.00 33.35 C ATOM 1345 CD GLN A 82 -10.996 6.252 10.008 1.00 43.53 C ATOM 1346 OE1 GLN A 82 -9.906 6.386 10.565 1.00 42.02 O ATOM 1347 NE2 GLN A 82 -12.133 6.123 10.681 1.00 23.24 N ATOM 0 H GLN A 82 -9.850 5.754 6.338 1.00 32.34 H new ATOM 0 HA GLN A 82 -11.943 7.537 6.148 1.00 61.01 H new ATOM 0 HB2 GLN A 82 -9.579 7.670 8.059 1.00 12.00 H new ATOM 0 HB3 GLN A 82 -11.167 8.361 8.327 1.00 12.00 H new ATOM 0 HG2 GLN A 82 -12.132 6.032 8.208 1.00 33.35 H new ATOM 0 HG3 GLN A 82 -10.498 5.407 8.106 1.00 33.35 H new ATOM 0 HE21 GLN A 82 -13.014 6.014 10.178 1.00 23.24 H new ATOM 0 HE22 GLN A 82 -12.126 6.133 11.701 1.00 23.24 H new ATOM 1356 N TYR A 83 -11.175 9.926 5.793 1.00 14.31 N ATOM 1357 CA TYR A 83 -10.786 11.235 5.282 1.00 11.45 C ATOM 1358 C TYR A 83 -9.596 11.791 6.059 1.00 14.31 C ATOM 1359 O TYR A 83 -8.697 12.404 5.484 1.00 62.31 O ATOM 1360 CB TYR A 83 -11.963 12.209 5.365 1.00 71.20 C ATOM 1361 CG TYR A 83 -11.732 13.503 4.619 1.00 42.25 C ATOM 1362 CD1 TYR A 83 -11.020 13.522 3.425 1.00 11.02 C ATOM 1363 CD2 TYR A 83 -12.224 14.707 5.107 1.00 42.33 C ATOM 1364 CE1 TYR A 83 -10.806 14.702 2.740 1.00 45.30 C ATOM 1365 CE2 TYR A 83 -12.015 15.892 4.427 1.00 14.05 C ATOM 1366 CZ TYR A 83 -11.306 15.884 3.245 1.00 44.41 C ATOM 1367 OH TYR A 83 -11.095 17.063 2.566 1.00 24.30 O ATOM 0 H TYR A 83 -12.130 9.879 6.148 1.00 14.31 H new ATOM 0 HA TYR A 83 -10.493 11.117 4.239 1.00 11.45 H new ATOM 0 HB2 TYR A 83 -12.854 11.724 4.966 1.00 71.20 H new ATOM 0 HB3 TYR A 83 -12.164 12.434 6.412 1.00 71.20 H new ATOM 0 HD1 TYR A 83 -10.628 12.598 3.026 1.00 11.02 H new ATOM 0 HD2 TYR A 83 -12.779 14.717 6.033 1.00 42.33 H new ATOM 0 HE1 TYR A 83 -10.250 14.699 1.814 1.00 45.30 H new ATOM 0 HE2 TYR A 83 -12.405 16.819 4.820 1.00 14.05 H new ATOM 0 HH TYR A 83 -11.513 17.802 3.056 1.00 24.30 H new ATOM 1377 N SER A 84 -9.599 11.572 7.370 1.00 14.21 N ATOM 1378 CA SER A 84 -8.523 12.053 8.228 1.00 43.31 C ATOM 1379 C SER A 84 -7.166 11.588 7.709 1.00 24.32 C ATOM 1380 O SER A 84 -6.252 12.391 7.524 1.00 22.42 O ATOM 1381 CB SER A 84 -8.728 11.564 9.663 1.00 52.02 C ATOM 1382 OG SER A 84 -10.098 11.604 10.024 1.00 2.22 O ATOM 0 H SER A 84 -10.335 11.064 7.861 1.00 14.21 H new ATOM 0 HA SER A 84 -8.543 13.143 8.217 1.00 43.31 H new ATOM 0 HB2 SER A 84 -8.352 10.545 9.761 1.00 52.02 H new ATOM 0 HB3 SER A 84 -8.150 12.184 10.348 1.00 52.02 H new ATOM 0 HG SER A 84 -10.203 11.285 10.945 1.00 2.22 H new ATOM 1388 N GLU A 85 -7.043 10.284 7.477 1.00 52.52 N ATOM 1389 CA GLU A 85 -5.798 9.711 6.980 1.00 3.43 C ATOM 1390 C GLU A 85 -5.558 10.107 5.526 1.00 15.00 C ATOM 1391 O GLU A 85 -4.425 10.370 5.120 1.00 35.05 O ATOM 1392 CB GLU A 85 -5.825 8.187 7.108 1.00 74.24 C ATOM 1393 CG GLU A 85 -4.478 7.581 7.462 1.00 2.10 C ATOM 1394 CD GLU A 85 -3.982 8.019 8.827 1.00 73.43 C ATOM 1395 OE1 GLU A 85 -4.798 8.541 9.615 1.00 25.33 O ATOM 1396 OE2 GLU A 85 -2.778 7.838 9.106 1.00 53.11 O ATOM 0 H GLU A 85 -7.790 9.606 7.625 1.00 52.52 H new ATOM 0 HA GLU A 85 -4.981 10.104 7.584 1.00 3.43 H new ATOM 0 HB2 GLU A 85 -6.551 7.908 7.872 1.00 74.24 H new ATOM 0 HB3 GLU A 85 -6.171 7.758 6.167 1.00 74.24 H new ATOM 0 HG2 GLU A 85 -4.556 6.494 7.439 1.00 2.10 H new ATOM 0 HG3 GLU A 85 -3.746 7.864 6.705 1.00 2.10 H new ATOM 1403 N LEU A 86 -6.633 10.147 4.746 1.00 62.54 N ATOM 1404 CA LEU A 86 -6.541 10.509 3.336 1.00 52.44 C ATOM 1405 C LEU A 86 -5.976 11.916 3.171 1.00 3.40 C ATOM 1406 O LEU A 86 -5.136 12.161 2.306 1.00 63.15 O ATOM 1407 CB LEU A 86 -7.918 10.420 2.675 1.00 12.44 C ATOM 1408 CG LEU A 86 -7.950 9.829 1.266 1.00 63.42 C ATOM 1409 CD1 LEU A 86 -7.042 10.618 0.335 1.00 55.10 C ATOM 1410 CD2 LEU A 86 -7.542 8.363 1.294 1.00 75.43 C ATOM 0 H LEU A 86 -7.578 9.933 5.066 1.00 62.54 H new ATOM 0 HA LEU A 86 -5.865 9.806 2.849 1.00 52.44 H new ATOM 0 HB2 LEU A 86 -8.567 9.821 3.313 1.00 12.44 H new ATOM 0 HB3 LEU A 86 -8.346 11.422 2.637 1.00 12.44 H new ATOM 0 HG LEU A 86 -8.970 9.896 0.888 1.00 63.42 H new ATOM 0 HD11 LEU A 86 -7.078 10.182 -0.664 1.00 55.10 H new ATOM 0 HD12 LEU A 86 -7.378 11.654 0.291 1.00 55.10 H new ATOM 0 HD13 LEU A 86 -6.019 10.584 0.709 1.00 55.10 H new ATOM 0 HD21 LEU A 86 -7.570 7.958 0.282 1.00 75.43 H new ATOM 0 HD22 LEU A 86 -6.531 8.274 1.692 1.00 75.43 H new ATOM 0 HD23 LEU A 86 -8.232 7.805 1.927 1.00 75.43 H new ATOM 1422 N MET A 87 -6.441 12.837 4.009 1.00 43.20 N ATOM 1423 CA MET A 87 -5.978 14.219 3.958 1.00 13.42 C ATOM 1424 C MET A 87 -4.613 14.361 4.624 1.00 32.31 C ATOM 1425 O MET A 87 -3.815 15.221 4.252 1.00 42.34 O ATOM 1426 CB MET A 87 -6.989 15.143 4.640 1.00 54.32 C ATOM 1427 CG MET A 87 -7.821 15.960 3.664 1.00 61.43 C ATOM 1428 SD MET A 87 -6.823 17.095 2.681 1.00 64.20 S ATOM 1429 CE MET A 87 -6.868 16.289 1.082 1.00 31.53 C ATOM 0 H MET A 87 -7.137 12.652 4.731 1.00 43.20 H new ATOM 0 HA MET A 87 -5.883 14.505 2.911 1.00 13.42 H new ATOM 0 HB2 MET A 87 -7.656 14.544 5.260 1.00 54.32 H new ATOM 0 HB3 MET A 87 -6.457 15.821 5.307 1.00 54.32 H new ATOM 0 HG2 MET A 87 -8.359 15.285 2.998 1.00 61.43 H new ATOM 0 HG3 MET A 87 -8.570 16.527 4.217 1.00 61.43 H new ATOM 0 HE1 MET A 87 -6.705 17.028 0.297 1.00 31.53 H new ATOM 0 HE2 MET A 87 -6.087 15.531 1.035 1.00 31.53 H new ATOM 0 HE3 MET A 87 -7.840 15.817 0.940 1.00 31.53 H new ATOM 1439 N THR A 88 -4.351 13.511 5.612 1.00 24.31 N ATOM 1440 CA THR A 88 -3.083 13.542 6.331 1.00 51.13 C ATOM 1441 C THR A 88 -1.947 13.009 5.465 1.00 31.02 C ATOM 1442 O THR A 88 -0.829 13.523 5.504 1.00 51.33 O ATOM 1443 CB THR A 88 -3.153 12.718 7.630 1.00 15.12 C ATOM 1444 OG1 THR A 88 -4.057 13.336 8.554 1.00 63.13 O ATOM 1445 CG2 THR A 88 -1.777 12.592 8.266 1.00 14.23 C ATOM 0 H THR A 88 -5.000 12.793 5.933 1.00 24.31 H new ATOM 0 HA THR A 88 -2.887 14.585 6.581 1.00 51.13 H new ATOM 0 HB THR A 88 -3.514 11.720 7.382 1.00 15.12 H new ATOM 0 HG1 THR A 88 -4.893 12.825 8.586 1.00 63.13 H new ATOM 0 HG21 THR A 88 -1.852 12.006 9.182 1.00 14.23 H new ATOM 0 HG22 THR A 88 -1.099 12.095 7.572 1.00 14.23 H new ATOM 0 HG23 THR A 88 -1.392 13.585 8.501 1.00 14.23 H new ATOM 1453 N LYS A 89 -2.240 11.975 4.684 1.00 60.01 N ATOM 1454 CA LYS A 89 -1.244 11.372 3.806 1.00 2.22 C ATOM 1455 C LYS A 89 -0.977 12.260 2.595 1.00 55.12 C ATOM 1456 O LYS A 89 -0.057 12.006 1.817 1.00 13.12 O ATOM 1457 CB LYS A 89 -1.710 9.989 3.346 1.00 41.35 C ATOM 1458 CG LYS A 89 -0.699 8.887 3.610 1.00 2.23 C ATOM 1459 CD LYS A 89 -0.990 8.165 4.915 1.00 75.53 C ATOM 1460 CE LYS A 89 -0.115 8.681 6.046 1.00 65.11 C ATOM 1461 NZ LYS A 89 0.560 7.572 6.776 1.00 60.24 N ATOM 0 H LYS A 89 -3.160 11.537 4.641 1.00 60.01 H new ATOM 0 HA LYS A 89 -0.316 11.267 4.368 1.00 2.22 H new ATOM 0 HB2 LYS A 89 -2.644 9.743 3.852 1.00 41.35 H new ATOM 0 HB3 LYS A 89 -1.926 10.024 2.278 1.00 41.35 H new ATOM 0 HG2 LYS A 89 -0.714 8.173 2.787 1.00 2.23 H new ATOM 0 HG3 LYS A 89 0.304 9.313 3.644 1.00 2.23 H new ATOM 0 HD2 LYS A 89 -2.040 8.295 5.178 1.00 75.53 H new ATOM 0 HD3 LYS A 89 -0.825 7.096 4.785 1.00 75.53 H new ATOM 0 HE2 LYS A 89 0.636 9.360 5.643 1.00 65.11 H new ATOM 0 HE3 LYS A 89 -0.724 9.256 6.743 1.00 65.11 H new ATOM 0 HZ1 LYS A 89 1.147 7.965 7.539 1.00 60.24 H new ATOM 0 HZ2 LYS A 89 -0.157 6.937 7.182 1.00 60.24 H new ATOM 0 HZ3 LYS A 89 1.162 7.038 6.117 1.00 60.24 H new ATOM 1475 N TYR A 90 -1.787 13.302 2.442 1.00 41.14 N ATOM 1476 CA TYR A 90 -1.639 14.227 1.324 1.00 1.12 C ATOM 1477 C TYR A 90 -1.116 15.579 1.801 1.00 33.34 C ATOM 1478 O TYR A 90 -0.330 16.231 1.115 1.00 44.25 O ATOM 1479 CB TYR A 90 -2.977 14.410 0.606 1.00 63.14 C ATOM 1480 CG TYR A 90 -3.085 15.715 -0.151 1.00 25.15 C ATOM 1481 CD1 TYR A 90 -2.664 15.813 -1.471 1.00 24.51 C ATOM 1482 CD2 TYR A 90 -3.608 16.850 0.456 1.00 55.23 C ATOM 1483 CE1 TYR A 90 -2.760 17.003 -2.165 1.00 64.01 C ATOM 1484 CE2 TYR A 90 -3.710 18.045 -0.231 1.00 63.53 C ATOM 1485 CZ TYR A 90 -3.283 18.116 -1.541 1.00 75.01 C ATOM 1486 OH TYR A 90 -3.382 19.303 -2.230 1.00 11.34 O ATOM 0 H TYR A 90 -2.552 13.527 3.078 1.00 41.14 H new ATOM 0 HA TYR A 90 -0.915 13.803 0.628 1.00 1.12 H new ATOM 0 HB2 TYR A 90 -3.123 13.583 -0.089 1.00 63.14 H new ATOM 0 HB3 TYR A 90 -3.783 14.357 1.338 1.00 63.14 H new ATOM 0 HD1 TYR A 90 -2.254 14.943 -1.963 1.00 24.51 H new ATOM 0 HD2 TYR A 90 -3.941 16.798 1.482 1.00 55.23 H new ATOM 0 HE1 TYR A 90 -2.427 17.062 -3.191 1.00 64.01 H new ATOM 0 HE2 TYR A 90 -4.121 18.918 0.255 1.00 63.53 H new ATOM 0 HH TYR A 90 -4.158 19.271 -2.827 1.00 11.34 H new ATOM 1496 N HIS A 91 -1.559 15.993 2.984 1.00 33.03 N ATOM 1497 CA HIS A 91 -1.136 17.266 3.556 1.00 51.41 C ATOM 1498 C HIS A 91 0.061 17.075 4.482 1.00 11.14 C ATOM 1499 O HIS A 91 0.842 18.001 4.702 1.00 22.22 O ATOM 1500 CB HIS A 91 -2.290 17.914 4.322 1.00 51.44 C ATOM 1501 CG HIS A 91 -2.470 19.370 4.016 1.00 65.42 C ATOM 1502 ND1 HIS A 91 -2.871 20.293 4.958 1.00 32.31 N ATOM 1503 CD2 HIS A 91 -2.298 20.060 2.864 1.00 22.03 C ATOM 1504 CE1 HIS A 91 -2.941 21.488 4.399 1.00 25.41 C ATOM 1505 NE2 HIS A 91 -2.597 21.374 3.129 1.00 70.22 N ATOM 0 H HIS A 91 -2.211 15.465 3.565 1.00 33.03 H new ATOM 0 HA HIS A 91 -0.839 17.922 2.738 1.00 51.41 H new ATOM 0 HB2 HIS A 91 -3.214 17.385 4.087 1.00 51.44 H new ATOM 0 HB3 HIS A 91 -2.118 17.795 5.392 1.00 51.44 H new ATOM 0 HD2 HIS A 91 -1.984 19.653 1.914 1.00 22.03 H new ATOM 0 HE1 HIS A 91 -3.230 22.402 4.896 1.00 25.41 H new ATOM 0 HE2 HIS A 91 -2.559 22.138 2.454 1.00 70.22 H new ATOM 1513 N ASP A 92 0.198 15.869 5.023 1.00 55.41 N ATOM 1514 CA ASP A 92 1.299 15.557 5.926 1.00 63.44 C ATOM 1515 C ASP A 92 2.417 14.828 5.186 1.00 5.43 C ATOM 1516 O ASP A 92 3.575 15.248 5.220 1.00 10.33 O ATOM 1517 CB ASP A 92 0.803 14.703 7.094 1.00 41.02 C ATOM 1518 CG ASP A 92 1.447 15.092 8.410 1.00 41.42 C ATOM 1519 OD1 ASP A 92 2.693 15.063 8.492 1.00 14.10 O ATOM 1520 OD2 ASP A 92 0.705 15.426 9.358 1.00 24.30 O ATOM 0 H ASP A 92 -0.440 15.092 4.852 1.00 55.41 H new ATOM 0 HA ASP A 92 1.695 16.495 6.315 1.00 63.44 H new ATOM 0 HB2 ASP A 92 -0.279 14.802 7.179 1.00 41.02 H new ATOM 0 HB3 ASP A 92 1.011 13.653 6.887 1.00 41.02 H new ATOM 1525 N LEU A 93 2.065 13.735 4.520 1.00 74.22 N ATOM 1526 CA LEU A 93 3.038 12.947 3.772 1.00 25.44 C ATOM 1527 C LEU A 93 3.734 13.800 2.716 1.00 21.44 C ATOM 1528 O LEU A 93 4.814 13.454 2.236 1.00 0.43 O ATOM 1529 CB LEU A 93 2.354 11.750 3.109 1.00 42.45 C ATOM 1530 CG LEU A 93 3.068 10.405 3.250 1.00 52.50 C ATOM 1531 CD1 LEU A 93 4.464 10.476 2.651 1.00 11.31 C ATOM 1532 CD2 LEU A 93 3.133 9.987 4.712 1.00 41.53 C ATOM 0 H LEU A 93 1.112 13.373 4.482 1.00 74.22 H new ATOM 0 HA LEU A 93 3.790 12.585 4.473 1.00 25.44 H new ATOM 0 HB2 LEU A 93 1.352 11.652 3.527 1.00 42.45 H new ATOM 0 HB3 LEU A 93 2.237 11.967 2.047 1.00 42.45 H new ATOM 0 HG LEU A 93 2.499 9.654 2.703 1.00 52.50 H new ATOM 0 HD11 LEU A 93 4.957 9.510 2.761 1.00 11.31 H new ATOM 0 HD12 LEU A 93 4.394 10.729 1.593 1.00 11.31 H new ATOM 0 HD13 LEU A 93 5.044 11.240 3.169 1.00 11.31 H new ATOM 0 HD21 LEU A 93 3.644 9.028 4.794 1.00 41.53 H new ATOM 0 HD22 LEU A 93 3.679 10.739 5.281 1.00 41.53 H new ATOM 0 HD23 LEU A 93 2.122 9.894 5.109 1.00 41.53 H new ATOM 1544 N LYS A 94 3.109 14.917 2.360 1.00 23.21 N ATOM 1545 CA LYS A 94 3.669 15.822 1.364 1.00 53.43 C ATOM 1546 C LYS A 94 4.971 16.441 1.861 1.00 64.11 C ATOM 1547 O LYS A 94 5.737 17.011 1.083 1.00 32.02 O ATOM 1548 CB LYS A 94 2.664 16.926 1.027 1.00 52.35 C ATOM 1549 CG LYS A 94 2.075 17.607 2.250 1.00 50.21 C ATOM 1550 CD LYS A 94 2.659 18.996 2.451 1.00 61.54 C ATOM 1551 CE LYS A 94 3.790 18.983 3.468 1.00 34.21 C ATOM 1552 NZ LYS A 94 3.749 20.176 4.358 1.00 55.32 N ATOM 0 H LYS A 94 2.214 15.217 2.747 1.00 23.21 H new ATOM 0 HA LYS A 94 3.882 15.245 0.464 1.00 53.43 H new ATOM 0 HB2 LYS A 94 3.155 17.675 0.406 1.00 52.35 H new ATOM 0 HB3 LYS A 94 1.855 16.500 0.434 1.00 52.35 H new ATOM 0 HG2 LYS A 94 0.993 17.679 2.142 1.00 50.21 H new ATOM 0 HG3 LYS A 94 2.267 16.999 3.134 1.00 50.21 H new ATOM 0 HD2 LYS A 94 3.028 19.378 1.499 1.00 61.54 H new ATOM 0 HD3 LYS A 94 1.876 19.676 2.785 1.00 61.54 H new ATOM 0 HE2 LYS A 94 3.726 18.077 4.071 1.00 34.21 H new ATOM 0 HE3 LYS A 94 4.747 18.951 2.947 1.00 34.21 H new ATOM 0 HZ1 LYS A 94 4.529 20.819 4.113 1.00 55.32 H new ATOM 0 HZ2 LYS A 94 2.842 20.669 4.236 1.00 55.32 H new ATOM 0 HZ3 LYS A 94 3.848 19.874 5.348 1.00 55.32 H new ATOM 1566 N LYS A 95 5.218 16.323 3.161 1.00 2.42 N ATOM 1567 CA LYS A 95 6.430 16.868 3.763 1.00 54.12 C ATOM 1568 C LYS A 95 7.675 16.294 3.094 1.00 14.21 C ATOM 1569 O LYS A 95 8.610 17.026 2.773 1.00 4.23 O ATOM 1570 CB LYS A 95 6.459 16.567 5.263 1.00 73.21 C ATOM 1571 CG LYS A 95 5.916 17.697 6.121 1.00 61.32 C ATOM 1572 CD LYS A 95 6.920 18.830 6.251 1.00 24.42 C ATOM 1573 CE LYS A 95 6.227 20.179 6.358 1.00 4.31 C ATOM 1574 NZ LYS A 95 7.016 21.145 7.173 1.00 32.42 N ATOM 0 H LYS A 95 4.595 15.855 3.819 1.00 2.42 H new ATOM 0 HA LYS A 95 6.425 17.948 3.616 1.00 54.12 H new ATOM 0 HB2 LYS A 95 5.878 15.665 5.455 1.00 73.21 H new ATOM 0 HB3 LYS A 95 7.485 16.355 5.563 1.00 73.21 H new ATOM 0 HG2 LYS A 95 4.993 18.076 5.683 1.00 61.32 H new ATOM 0 HG3 LYS A 95 5.666 17.316 7.111 1.00 61.32 H new ATOM 0 HD2 LYS A 95 7.541 18.668 7.132 1.00 24.42 H new ATOM 0 HD3 LYS A 95 7.585 18.829 5.388 1.00 24.42 H new ATOM 0 HE2 LYS A 95 6.072 20.588 5.360 1.00 4.31 H new ATOM 0 HE3 LYS A 95 5.242 20.047 6.805 1.00 4.31 H new ATOM 0 HZ1 LYS A 95 6.510 22.052 7.222 1.00 32.42 H new ATOM 0 HZ2 LYS A 95 7.143 20.767 8.133 1.00 32.42 H new ATOM 0 HZ3 LYS A 95 7.947 21.291 6.733 1.00 32.42 H new ATOM 1588 N GLN A 96 7.677 14.981 2.886 1.00 3.41 N ATOM 1589 CA GLN A 96 8.808 14.311 2.255 1.00 74.24 C ATOM 1590 C GLN A 96 8.417 13.755 0.889 1.00 1.01 C ATOM 1591 O GLN A 96 9.093 12.882 0.347 1.00 61.13 O ATOM 1592 CB GLN A 96 9.323 13.182 3.149 1.00 10.34 C ATOM 1593 CG GLN A 96 9.694 13.639 4.551 1.00 32.52 C ATOM 1594 CD GLN A 96 10.740 14.735 4.550 1.00 5.23 C ATOM 1595 OE1 GLN A 96 10.427 15.909 4.750 1.00 54.03 O ATOM 1596 NE2 GLN A 96 11.994 14.358 4.326 1.00 74.45 N ATOM 0 H GLN A 96 6.909 14.361 3.145 1.00 3.41 H new ATOM 0 HA GLN A 96 9.602 15.045 2.116 1.00 74.24 H new ATOM 0 HB2 GLN A 96 8.559 12.407 3.218 1.00 10.34 H new ATOM 0 HB3 GLN A 96 10.196 12.728 2.681 1.00 10.34 H new ATOM 0 HG2 GLN A 96 8.799 13.996 5.061 1.00 32.52 H new ATOM 0 HG3 GLN A 96 10.066 12.787 5.120 1.00 32.52 H new ATOM 0 HE21 GLN A 96 12.210 13.374 4.165 1.00 74.45 H new ATOM 0 HE22 GLN A 96 12.741 15.052 4.315 1.00 74.45 H new ATOM 1605 N GLY A 97 7.321 14.267 0.338 1.00 14.34 N ATOM 1606 CA GLY A 97 6.859 13.810 -0.959 1.00 72.41 C ATOM 1607 C GLY A 97 6.507 14.956 -1.887 1.00 32.44 C ATOM 1608 O GLY A 97 5.914 15.948 -1.463 1.00 32.01 O ATOM 0 H GLY A 97 6.744 14.991 0.767 1.00 14.34 H new ATOM 0 HA2 GLY A 97 7.633 13.197 -1.421 1.00 72.41 H new ATOM 0 HA3 GLY A 97 5.985 13.173 -0.826 1.00 72.41 H new ATOM 1612 N LYS A 98 6.874 14.821 -3.156 1.00 50.14 N ATOM 1613 CA LYS A 98 6.594 15.853 -4.148 1.00 4.23 C ATOM 1614 C LYS A 98 5.373 15.487 -4.985 1.00 12.03 C ATOM 1615 O LYS A 98 5.394 14.512 -5.737 1.00 10.31 O ATOM 1616 CB LYS A 98 7.807 16.057 -5.058 1.00 63.44 C ATOM 1617 CG LYS A 98 8.852 16.996 -4.480 1.00 33.53 C ATOM 1618 CD LYS A 98 8.318 18.412 -4.351 1.00 51.35 C ATOM 1619 CE LYS A 98 8.678 19.024 -3.006 1.00 41.13 C ATOM 1620 NZ LYS A 98 7.798 20.176 -2.667 1.00 53.34 N ATOM 0 H LYS A 98 7.367 14.007 -3.523 1.00 50.14 H new ATOM 0 HA LYS A 98 6.384 16.782 -3.619 1.00 4.23 H new ATOM 0 HB2 LYS A 98 8.269 15.090 -5.255 1.00 63.44 H new ATOM 0 HB3 LYS A 98 7.469 16.450 -6.017 1.00 63.44 H new ATOM 0 HG2 LYS A 98 9.166 16.634 -3.501 1.00 33.53 H new ATOM 0 HG3 LYS A 98 9.735 16.996 -5.118 1.00 33.53 H new ATOM 0 HD2 LYS A 98 8.723 19.029 -5.153 1.00 51.35 H new ATOM 0 HD3 LYS A 98 7.235 18.406 -4.471 1.00 51.35 H new ATOM 0 HE2 LYS A 98 8.597 18.264 -2.228 1.00 41.13 H new ATOM 0 HE3 LYS A 98 9.717 19.353 -3.023 1.00 41.13 H new ATOM 0 HZ1 LYS A 98 8.076 20.565 -1.743 1.00 53.34 H new ATOM 0 HZ2 LYS A 98 7.894 20.912 -3.396 1.00 53.34 H new ATOM 0 HZ3 LYS A 98 6.809 19.857 -2.625 1.00 53.34 H new ATOM 1634 N ILE A 99 4.311 16.275 -4.850 1.00 22.43 N ATOM 1635 CA ILE A 99 3.082 16.034 -5.596 1.00 23.13 C ATOM 1636 C ILE A 99 2.870 17.101 -6.664 1.00 60.23 C ATOM 1637 O ILE A 99 3.191 18.272 -6.461 1.00 30.11 O ATOM 1638 CB ILE A 99 1.856 16.004 -4.665 1.00 55.02 C ATOM 1639 CG1 ILE A 99 0.568 15.906 -5.486 1.00 11.21 C ATOM 1640 CG2 ILE A 99 1.833 17.241 -3.779 1.00 74.41 C ATOM 1641 CD1 ILE A 99 -0.682 15.812 -4.640 1.00 33.44 C ATOM 0 H ILE A 99 4.277 17.085 -4.231 1.00 22.43 H new ATOM 0 HA ILE A 99 3.188 15.060 -6.075 1.00 23.13 H new ATOM 0 HB ILE A 99 1.925 15.124 -4.025 1.00 55.02 H new ATOM 0 HG12 ILE A 99 0.493 16.779 -6.135 1.00 11.21 H new ATOM 0 HG13 ILE A 99 0.625 15.031 -6.134 1.00 11.21 H new ATOM 0 HG21 ILE A 99 0.960 17.205 -3.127 1.00 74.41 H new ATOM 0 HG22 ILE A 99 2.738 17.271 -3.173 1.00 74.41 H new ATOM 0 HG23 ILE A 99 1.784 18.134 -4.402 1.00 74.41 H new ATOM 0 HD11 ILE A 99 -1.556 15.745 -5.288 1.00 33.44 H new ATOM 0 HD12 ILE A 99 -0.629 14.924 -4.010 1.00 33.44 H new ATOM 0 HD13 ILE A 99 -0.763 16.699 -4.011 1.00 33.44 H new ATOM 1653 N LYS A 100 2.325 16.689 -7.804 1.00 22.30 N ATOM 1654 CA LYS A 100 2.066 17.608 -8.905 1.00 50.42 C ATOM 1655 C LYS A 100 0.591 17.589 -9.295 1.00 23.03 C ATOM 1656 O LYS A 100 -0.150 16.684 -8.911 1.00 21.10 O ATOM 1657 CB LYS A 100 2.929 17.244 -10.115 1.00 72.34 C ATOM 1658 CG LYS A 100 4.382 16.970 -9.766 1.00 54.44 C ATOM 1659 CD LYS A 100 5.290 17.163 -10.969 1.00 73.44 C ATOM 1660 CE LYS A 100 5.672 18.624 -11.151 1.00 72.45 C ATOM 1661 NZ LYS A 100 6.820 18.784 -12.086 1.00 4.24 N ATOM 0 H LYS A 100 2.054 15.723 -7.989 1.00 22.30 H new ATOM 0 HA LYS A 100 2.323 18.614 -8.573 1.00 50.42 H new ATOM 0 HB2 LYS A 100 2.508 16.363 -10.599 1.00 72.34 H new ATOM 0 HB3 LYS A 100 2.885 18.057 -10.840 1.00 72.34 H new ATOM 0 HG2 LYS A 100 4.696 17.635 -8.962 1.00 54.44 H new ATOM 0 HG3 LYS A 100 4.482 15.951 -9.393 1.00 54.44 H new ATOM 0 HD2 LYS A 100 6.192 16.563 -10.846 1.00 73.44 H new ATOM 0 HD3 LYS A 100 4.788 16.803 -11.867 1.00 73.44 H new ATOM 0 HE2 LYS A 100 4.814 19.179 -11.531 1.00 72.45 H new ATOM 0 HE3 LYS A 100 5.928 19.056 -10.184 1.00 72.45 H new ATOM 0 HZ1 LYS A 100 7.050 19.794 -12.184 1.00 4.24 H new ATOM 0 HZ2 LYS A 100 7.646 18.275 -11.712 1.00 4.24 H new ATOM 0 HZ3 LYS A 100 6.567 18.395 -13.017 1.00 4.24 H new ATOM 1675 N ASP A 101 0.173 18.591 -10.059 1.00 51.43 N ATOM 1676 CA ASP A 101 -1.213 18.688 -10.503 1.00 20.21 C ATOM 1677 C ASP A 101 -1.314 18.502 -12.014 1.00 32.54 C ATOM 1678 O ASP A 101 -1.294 19.472 -12.771 1.00 61.32 O ATOM 1679 CB ASP A 101 -1.806 20.039 -10.102 1.00 53.43 C ATOM 1680 CG ASP A 101 -3.216 20.231 -10.626 1.00 40.01 C ATOM 1681 OD1 ASP A 101 -4.076 19.372 -10.341 1.00 13.32 O ATOM 1682 OD2 ASP A 101 -3.459 21.239 -11.322 1.00 42.41 O ATOM 0 H ASP A 101 0.774 19.348 -10.384 1.00 51.43 H new ATOM 0 HA ASP A 101 -1.780 17.893 -10.019 1.00 20.21 H new ATOM 0 HB2 ASP A 101 -1.811 20.122 -9.015 1.00 53.43 H new ATOM 0 HB3 ASP A 101 -1.169 20.839 -10.480 1.00 53.43 H new ATOM 1687 N ARG A 102 -1.422 17.249 -12.444 1.00 71.13 N ATOM 1688 CA ARG A 102 -1.524 16.935 -13.864 1.00 41.44 C ATOM 1689 C ARG A 102 -2.896 17.320 -14.409 1.00 54.31 C ATOM 1690 O ARG A 102 -3.931 17.059 -13.795 1.00 1.03 O ATOM 1691 CB ARG A 102 -1.270 15.445 -14.099 1.00 41.21 C ATOM 1692 CG ARG A 102 -0.602 15.144 -15.431 1.00 22.54 C ATOM 1693 CD ARG A 102 0.767 15.799 -15.528 1.00 60.32 C ATOM 1694 NE ARG A 102 1.573 15.563 -14.333 1.00 50.32 N ATOM 1695 CZ ARG A 102 2.240 14.437 -14.107 1.00 33.13 C ATOM 1696 NH1 ARG A 102 2.197 13.449 -14.989 1.00 62.54 N ATOM 1697 NH2 ARG A 102 2.951 14.298 -12.995 1.00 64.14 N ATOM 0 H ARG A 102 -1.441 16.435 -11.829 1.00 71.13 H new ATOM 0 HA ARG A 102 -0.766 17.513 -14.393 1.00 41.44 H new ATOM 0 HB2 ARG A 102 -0.645 15.060 -13.293 1.00 41.21 H new ATOM 0 HB3 ARG A 102 -2.219 14.911 -14.049 1.00 41.21 H new ATOM 0 HG2 ARG A 102 -0.500 14.066 -15.553 1.00 22.54 H new ATOM 0 HG3 ARG A 102 -1.235 15.498 -16.245 1.00 22.54 H new ATOM 0 HD2 ARG A 102 1.292 15.413 -16.402 1.00 60.32 H new ATOM 0 HD3 ARG A 102 0.646 16.872 -15.677 1.00 60.32 H new ATOM 0 HE ARG A 102 1.627 16.304 -13.634 1.00 50.32 H new ATOM 0 HH11 ARG A 102 1.651 13.552 -15.844 1.00 62.54 H new ATOM 0 HH12 ARG A 102 2.710 12.585 -14.813 1.00 62.54 H new ATOM 0 HH21 ARG A 102 2.985 15.056 -12.313 1.00 64.14 H new ATOM 0 HH22 ARG A 102 3.463 13.433 -12.822 1.00 64.14 H new ATOM 1711 N PRO A 103 -2.908 17.957 -15.590 1.00 24.23 N ATOM 1712 CA PRO A 103 -4.146 18.391 -16.243 1.00 42.20 C ATOM 1713 C PRO A 103 -4.973 17.218 -16.757 1.00 63.40 C ATOM 1714 O PRO A 103 -4.432 16.258 -17.307 1.00 31.24 O ATOM 1715 CB PRO A 103 -3.649 19.247 -17.411 1.00 12.53 C ATOM 1716 CG PRO A 103 -2.281 18.736 -17.701 1.00 25.45 C ATOM 1717 CD PRO A 103 -1.712 18.301 -16.378 1.00 33.21 C ATOM 0 HA PRO A 103 -4.804 18.923 -15.556 1.00 42.20 H new ATOM 0 HB2 PRO A 103 -4.301 19.148 -18.279 1.00 12.53 H new ATOM 0 HB3 PRO A 103 -3.629 20.304 -17.146 1.00 12.53 H new ATOM 0 HG2 PRO A 103 -2.316 17.903 -18.403 1.00 25.45 H new ATOM 0 HG3 PRO A 103 -1.663 19.511 -18.156 1.00 25.45 H new ATOM 0 HD2 PRO A 103 -1.044 17.447 -16.489 1.00 33.21 H new ATOM 0 HD3 PRO A 103 -1.135 19.097 -15.907 1.00 33.21 H new ATOM 1725 N VAL A 104 -6.287 17.301 -16.575 1.00 61.13 N ATOM 1726 CA VAL A 104 -7.189 16.246 -17.022 1.00 42.23 C ATOM 1727 C VAL A 104 -7.272 16.202 -18.544 1.00 2.30 C ATOM 1728 O VAL A 104 -7.380 17.238 -19.201 1.00 64.33 O ATOM 1729 CB VAL A 104 -8.605 16.437 -16.447 1.00 42.42 C ATOM 1730 CG1 VAL A 104 -9.261 17.673 -17.044 1.00 73.12 C ATOM 1731 CG2 VAL A 104 -9.453 15.199 -16.697 1.00 43.54 C ATOM 0 H VAL A 104 -6.751 18.088 -16.121 1.00 61.13 H new ATOM 0 HA VAL A 104 -6.780 15.304 -16.656 1.00 42.23 H new ATOM 0 HB VAL A 104 -8.525 16.582 -15.370 1.00 42.42 H new ATOM 0 HG11 VAL A 104 -10.261 17.792 -16.626 1.00 73.12 H new ATOM 0 HG12 VAL A 104 -8.662 18.553 -16.808 1.00 73.12 H new ATOM 0 HG13 VAL A 104 -9.331 17.561 -18.126 1.00 73.12 H new ATOM 0 HG21 VAL A 104 -10.450 15.352 -16.284 1.00 43.54 H new ATOM 0 HG22 VAL A 104 -9.528 15.020 -17.770 1.00 43.54 H new ATOM 0 HG23 VAL A 104 -8.989 14.337 -16.217 1.00 43.54 H new ATOM 1741 N LYS A 105 -7.221 14.996 -19.099 1.00 52.21 N ATOM 1742 CA LYS A 105 -7.292 14.815 -20.544 1.00 74.02 C ATOM 1743 C LYS A 105 -8.733 14.594 -20.995 1.00 1.35 C ATOM 1744 O LYS A 105 -9.513 13.937 -20.307 1.00 14.23 O ATOM 1745 CB LYS A 105 -6.425 13.629 -20.973 1.00 53.34 C ATOM 1746 CG LYS A 105 -4.938 13.859 -20.771 1.00 64.12 C ATOM 1747 CD LYS A 105 -4.347 14.704 -21.887 1.00 51.41 C ATOM 1748 CE LYS A 105 -3.878 13.844 -23.050 1.00 70.50 C ATOM 1749 NZ LYS A 105 -2.519 13.283 -22.813 1.00 2.43 N ATOM 0 H LYS A 105 -7.131 14.129 -18.570 1.00 52.21 H new ATOM 0 HA LYS A 105 -6.917 15.722 -21.017 1.00 74.02 H new ATOM 0 HB2 LYS A 105 -6.727 12.746 -20.410 1.00 53.34 H new ATOM 0 HB3 LYS A 105 -6.611 13.415 -22.025 1.00 53.34 H new ATOM 0 HG2 LYS A 105 -4.772 14.352 -19.813 1.00 64.12 H new ATOM 0 HG3 LYS A 105 -4.423 12.899 -20.729 1.00 64.12 H new ATOM 0 HD2 LYS A 105 -5.093 15.417 -22.238 1.00 51.41 H new ATOM 0 HD3 LYS A 105 -3.509 15.284 -21.501 1.00 51.41 H new ATOM 0 HE2 LYS A 105 -4.585 13.029 -23.207 1.00 70.50 H new ATOM 0 HE3 LYS A 105 -3.871 14.440 -23.963 1.00 70.50 H new ATOM 0 HZ1 LYS A 105 -2.236 12.703 -23.629 1.00 2.43 H new ATOM 0 HZ2 LYS A 105 -1.839 14.060 -22.688 1.00 2.43 H new ATOM 0 HZ3 LYS A 105 -2.531 12.693 -21.956 1.00 2.43 H new ATOM 1763 N GLU A 106 -9.077 15.147 -22.154 1.00 31.52 N ATOM 1764 CA GLU A 106 -10.424 15.008 -22.695 1.00 11.41 C ATOM 1765 C GLU A 106 -10.639 13.611 -23.268 1.00 35.41 C ATOM 1766 O GLU A 106 -9.760 13.055 -23.926 1.00 60.21 O ATOM 1767 CB GLU A 106 -10.673 16.060 -23.779 1.00 25.44 C ATOM 1768 CG GLU A 106 -10.322 17.474 -23.347 1.00 33.43 C ATOM 1769 CD GLU A 106 -10.666 18.508 -24.401 1.00 71.21 C ATOM 1770 OE1 GLU A 106 -11.868 18.795 -24.580 1.00 35.13 O ATOM 1771 OE2 GLU A 106 -9.734 19.030 -25.047 1.00 61.54 O ATOM 0 H GLU A 106 -8.443 15.695 -22.735 1.00 31.52 H new ATOM 0 HA GLU A 106 -11.132 15.160 -21.881 1.00 11.41 H new ATOM 0 HB2 GLU A 106 -10.089 15.804 -24.663 1.00 25.44 H new ATOM 0 HB3 GLU A 106 -11.723 16.028 -24.070 1.00 25.44 H new ATOM 0 HG2 GLU A 106 -10.853 17.710 -22.425 1.00 33.43 H new ATOM 0 HG3 GLU A 106 -9.256 17.528 -23.125 1.00 33.43 H new ATOM 1778 N VAL A 107 -11.816 13.047 -23.012 1.00 51.42 N ATOM 1779 CA VAL A 107 -12.149 11.715 -23.502 1.00 44.02 C ATOM 1780 C VAL A 107 -13.198 11.782 -24.606 1.00 64.44 C ATOM 1781 O VAL A 107 -14.137 12.575 -24.538 1.00 42.25 O ATOM 1782 CB VAL A 107 -12.670 10.814 -22.367 1.00 72.33 C ATOM 1783 CG1 VAL A 107 -13.575 9.725 -22.923 1.00 72.22 C ATOM 1784 CG2 VAL A 107 -11.510 10.209 -21.592 1.00 3.25 C ATOM 0 H VAL A 107 -12.555 13.493 -22.468 1.00 51.42 H new ATOM 0 HA VAL A 107 -11.231 11.286 -23.903 1.00 44.02 H new ATOM 0 HB VAL A 107 -13.256 11.426 -21.681 1.00 72.33 H new ATOM 0 HG11 VAL A 107 -13.934 9.098 -22.107 1.00 72.22 H new ATOM 0 HG12 VAL A 107 -14.425 10.182 -23.430 1.00 72.22 H new ATOM 0 HG13 VAL A 107 -13.016 9.114 -23.631 1.00 72.22 H new ATOM 0 HG21 VAL A 107 -11.897 9.575 -20.794 1.00 3.25 H new ATOM 0 HG22 VAL A 107 -10.896 9.611 -22.265 1.00 3.25 H new ATOM 0 HG23 VAL A 107 -10.905 11.007 -21.161 1.00 3.25 H new ATOM 1794 N HIS A 108 -13.032 10.942 -25.624 1.00 0.31 N ATOM 1795 CA HIS A 108 -13.966 10.905 -26.744 1.00 22.33 C ATOM 1796 C HIS A 108 -14.586 9.518 -26.888 1.00 4.01 C ATOM 1797 O HIS A 108 -14.235 8.593 -26.156 1.00 72.13 O ATOM 1798 CB HIS A 108 -13.256 11.296 -28.040 1.00 53.32 C ATOM 1799 CG HIS A 108 -11.944 10.603 -28.238 1.00 23.42 C ATOM 1800 ND1 HIS A 108 -10.751 11.095 -27.750 1.00 74.32 N ATOM 1801 CD2 HIS A 108 -11.640 9.447 -28.873 1.00 71.42 C ATOM 1802 CE1 HIS A 108 -9.771 10.272 -28.079 1.00 10.45 C ATOM 1803 NE2 HIS A 108 -10.284 9.264 -28.760 1.00 62.11 N ATOM 0 H HIS A 108 -12.260 10.279 -25.696 1.00 0.31 H new ATOM 0 HA HIS A 108 -14.763 11.621 -26.545 1.00 22.33 H new ATOM 0 HB2 HIS A 108 -13.908 11.070 -28.884 1.00 53.32 H new ATOM 0 HB3 HIS A 108 -13.092 12.374 -28.044 1.00 53.32 H new ATOM 0 HD2 HIS A 108 -12.335 8.790 -29.375 1.00 71.42 H new ATOM 0 HE1 HIS A 108 -8.728 10.402 -27.833 1.00 10.45 H new ATOM 0 HE2 HIS A 108 -9.758 8.477 -29.140 1.00 62.11 H new ATOM 1811 N GLU A 109 -15.508 9.383 -27.835 1.00 53.04 N ATOM 1812 CA GLU A 109 -16.177 8.109 -28.073 1.00 53.42 C ATOM 1813 C GLU A 109 -15.291 7.174 -28.891 1.00 34.23 C ATOM 1814 O GLU A 109 -14.891 7.501 -30.007 1.00 63.33 O ATOM 1815 CB GLU A 109 -17.506 8.334 -28.798 1.00 33.54 C ATOM 1816 CG GLU A 109 -18.265 9.558 -28.313 1.00 63.12 C ATOM 1817 CD GLU A 109 -19.687 9.609 -28.838 1.00 24.44 C ATOM 1818 OE1 GLU A 109 -20.365 8.561 -28.816 1.00 71.34 O ATOM 1819 OE2 GLU A 109 -20.121 10.697 -29.269 1.00 44.40 O ATOM 0 H GLU A 109 -15.809 10.139 -28.450 1.00 53.04 H new ATOM 0 HA GLU A 109 -16.372 7.644 -27.107 1.00 53.42 H new ATOM 0 HB2 GLU A 109 -17.315 8.435 -29.866 1.00 33.54 H new ATOM 0 HB3 GLU A 109 -18.134 7.453 -28.669 1.00 33.54 H new ATOM 0 HG2 GLU A 109 -18.284 9.561 -27.223 1.00 63.12 H new ATOM 0 HG3 GLU A 109 -17.734 10.457 -28.625 1.00 63.12 H new ATOM 1826 N GLU A 110 -14.990 6.009 -28.325 1.00 2.21 N ATOM 1827 CA GLU A 110 -14.150 5.027 -29.001 1.00 12.12 C ATOM 1828 C GLU A 110 -13.812 3.867 -28.069 1.00 4.34 C ATOM 1829 O GLU A 110 -14.385 3.738 -26.987 1.00 15.11 O ATOM 1830 CB GLU A 110 -12.863 5.684 -29.504 1.00 71.32 C ATOM 1831 CG GLU A 110 -12.675 5.579 -31.008 1.00 44.53 C ATOM 1832 CD GLU A 110 -12.025 6.815 -31.602 1.00 34.41 C ATOM 1833 OE1 GLU A 110 -11.153 7.405 -30.932 1.00 3.43 O ATOM 1834 OE2 GLU A 110 -12.390 7.190 -32.735 1.00 43.45 O ATOM 0 H GLU A 110 -15.315 5.723 -27.401 1.00 2.21 H new ATOM 0 HA GLU A 110 -14.706 4.636 -29.853 1.00 12.12 H new ATOM 0 HB2 GLU A 110 -12.867 6.736 -29.219 1.00 71.32 H new ATOM 0 HB3 GLU A 110 -12.010 5.222 -29.006 1.00 71.32 H new ATOM 0 HG2 GLU A 110 -12.062 4.706 -31.234 1.00 44.53 H new ATOM 0 HG3 GLU A 110 -13.644 5.419 -31.481 1.00 44.53 H new ATOM 1841 N TYR A 111 -12.877 3.026 -28.496 1.00 44.31 N ATOM 1842 CA TYR A 111 -12.463 1.875 -27.702 1.00 40.42 C ATOM 1843 C TYR A 111 -10.965 1.921 -27.415 1.00 53.33 C ATOM 1844 O TYR A 111 -10.180 1.205 -28.037 1.00 54.35 O ATOM 1845 CB TYR A 111 -12.815 0.576 -28.428 1.00 20.32 C ATOM 1846 CG TYR A 111 -14.214 0.562 -29.002 1.00 2.32 C ATOM 1847 CD1 TYR A 111 -14.473 1.082 -30.264 1.00 13.43 C ATOM 1848 CD2 TYR A 111 -15.276 0.028 -28.282 1.00 42.51 C ATOM 1849 CE1 TYR A 111 -15.750 1.073 -30.791 1.00 61.14 C ATOM 1850 CE2 TYR A 111 -16.555 0.013 -28.803 1.00 15.44 C ATOM 1851 CZ TYR A 111 -16.787 0.537 -30.057 1.00 55.23 C ATOM 1852 OH TYR A 111 -18.060 0.525 -30.580 1.00 73.41 O ATOM 0 H TYR A 111 -12.391 3.120 -29.388 1.00 44.31 H new ATOM 0 HA TYR A 111 -12.997 1.909 -26.752 1.00 40.42 H new ATOM 0 HB2 TYR A 111 -12.099 0.415 -29.234 1.00 20.32 H new ATOM 0 HB3 TYR A 111 -12.708 -0.258 -27.735 1.00 20.32 H new ATOM 0 HD1 TYR A 111 -13.663 1.500 -30.843 1.00 13.43 H new ATOM 0 HD2 TYR A 111 -15.098 -0.382 -27.299 1.00 42.51 H new ATOM 0 HE1 TYR A 111 -15.935 1.484 -31.773 1.00 61.14 H new ATOM 0 HE2 TYR A 111 -17.369 -0.407 -28.231 1.00 15.44 H new ATOM 0 HH TYR A 111 -18.674 0.112 -29.937 1.00 73.41 H new ATOM 1862 N ASP A 112 -10.577 2.768 -26.468 1.00 42.24 N ATOM 1863 CA ASP A 112 -9.174 2.908 -26.096 1.00 63.32 C ATOM 1864 C ASP A 112 -8.957 2.514 -24.638 1.00 65.05 C ATOM 1865 O ASP A 112 -8.176 1.609 -24.338 1.00 54.22 O ATOM 1866 CB ASP A 112 -8.704 4.345 -26.325 1.00 0.34 C ATOM 1867 CG ASP A 112 -8.241 4.584 -27.748 1.00 71.24 C ATOM 1868 OD1 ASP A 112 -8.744 3.893 -28.659 1.00 15.51 O ATOM 1869 OD2 ASP A 112 -7.375 5.460 -27.952 1.00 42.21 O ATOM 0 H ASP A 112 -11.214 3.368 -25.944 1.00 42.24 H new ATOM 0 HA ASP A 112 -8.588 2.239 -26.726 1.00 63.32 H new ATOM 0 HB2 ASP A 112 -9.517 5.032 -26.091 1.00 0.34 H new ATOM 0 HB3 ASP A 112 -7.888 4.571 -25.638 1.00 0.34 H new ATOM 1874 N LEU A 113 -9.650 3.199 -23.736 1.00 51.33 N ATOM 1875 CA LEU A 113 -9.533 2.922 -22.309 1.00 3.21 C ATOM 1876 C LEU A 113 -9.901 1.474 -22.003 1.00 70.13 C ATOM 1877 O LEU A 113 -10.140 0.679 -22.912 1.00 64.13 O ATOM 1878 CB LEU A 113 -10.431 3.868 -21.510 1.00 42.30 C ATOM 1879 CG LEU A 113 -10.455 5.324 -21.976 1.00 44.41 C ATOM 1880 CD1 LEU A 113 -11.281 6.176 -21.025 1.00 23.03 C ATOM 1881 CD2 LEU A 113 -9.039 5.871 -22.091 1.00 61.33 C ATOM 0 H LEU A 113 -10.299 3.951 -23.967 1.00 51.33 H new ATOM 0 HA LEU A 113 -8.495 3.083 -22.017 1.00 3.21 H new ATOM 0 HB2 LEU A 113 -11.450 3.481 -21.540 1.00 42.30 H new ATOM 0 HB3 LEU A 113 -10.112 3.846 -20.468 1.00 42.30 H new ATOM 0 HG LEU A 113 -10.919 5.362 -22.961 1.00 44.41 H new ATOM 0 HD11 LEU A 113 -11.286 7.209 -21.373 1.00 23.03 H new ATOM 0 HD12 LEU A 113 -12.303 5.799 -20.993 1.00 23.03 H new ATOM 0 HD13 LEU A 113 -10.846 6.132 -20.026 1.00 23.03 H new ATOM 0 HD21 LEU A 113 -9.076 6.908 -22.424 1.00 61.33 H new ATOM 0 HD22 LEU A 113 -8.549 5.819 -21.119 1.00 61.33 H new ATOM 0 HD23 LEU A 113 -8.477 5.278 -22.813 1.00 61.33 H new ATOM 1893 N TRP A 114 -9.947 1.139 -20.719 1.00 14.41 N ATOM 1894 CA TRP A 114 -10.289 -0.213 -20.293 1.00 73.25 C ATOM 1895 C TRP A 114 -11.704 -0.580 -20.729 1.00 45.15 C ATOM 1896 O TRP A 114 -11.957 -1.704 -21.161 1.00 41.13 O ATOM 1897 CB TRP A 114 -10.162 -0.340 -18.775 1.00 3.35 C ATOM 1898 CG TRP A 114 -8.742 -0.336 -18.295 1.00 65.54 C ATOM 1899 CD1 TRP A 114 -8.208 0.453 -17.317 1.00 35.02 C ATOM 1900 CD2 TRP A 114 -7.673 -1.160 -18.775 1.00 74.33 C ATOM 1901 NE1 TRP A 114 -6.873 0.169 -17.159 1.00 52.54 N ATOM 1902 CE2 TRP A 114 -6.521 -0.817 -18.042 1.00 22.22 C ATOM 1903 CE3 TRP A 114 -7.579 -2.156 -19.752 1.00 2.35 C ATOM 1904 CZ2 TRP A 114 -5.291 -1.434 -18.256 1.00 72.05 C ATOM 1905 CZ3 TRP A 114 -6.358 -2.767 -19.964 1.00 4.34 C ATOM 1906 CH2 TRP A 114 -5.227 -2.405 -19.219 1.00 33.15 C ATOM 0 H TRP A 114 -9.752 1.785 -19.954 1.00 14.41 H new ATOM 0 HA TRP A 114 -9.591 -0.903 -20.768 1.00 73.25 H new ATOM 0 HB2 TRP A 114 -10.700 0.482 -18.303 1.00 3.35 H new ATOM 0 HB3 TRP A 114 -10.644 -1.263 -18.453 1.00 3.35 H new ATOM 0 HD1 TRP A 114 -8.755 1.192 -16.750 1.00 35.02 H new ATOM 0 HE1 TRP A 114 -6.246 0.619 -16.492 1.00 52.54 H new ATOM 0 HE3 TRP A 114 -8.445 -2.442 -20.330 1.00 2.35 H new ATOM 0 HZ2 TRP A 114 -4.419 -1.156 -17.683 1.00 72.05 H new ATOM 0 HZ3 TRP A 114 -6.273 -3.537 -20.717 1.00 4.34 H new ATOM 0 HH2 TRP A 114 -4.287 -2.902 -19.408 1.00 33.15 H new ATOM 1917 N GLU A 115 -12.621 0.376 -20.614 1.00 25.43 N ATOM 1918 CA GLU A 115 -14.010 0.151 -20.996 1.00 64.21 C ATOM 1919 C GLU A 115 -14.557 -1.113 -20.339 1.00 12.35 C ATOM 1920 O GLU A 115 -14.861 -2.096 -21.015 1.00 1.42 O ATOM 1921 CB GLU A 115 -14.132 0.041 -22.517 1.00 44.04 C ATOM 1922 CG GLU A 115 -14.206 1.386 -23.221 1.00 21.13 C ATOM 1923 CD GLU A 115 -15.145 1.371 -24.411 1.00 72.40 C ATOM 1924 OE1 GLU A 115 -15.372 0.279 -24.973 1.00 63.41 O ATOM 1925 OE2 GLU A 115 -15.653 2.450 -24.781 1.00 31.25 O ATOM 0 H GLU A 115 -12.427 1.313 -20.260 1.00 25.43 H new ATOM 0 HA GLU A 115 -14.597 1.002 -20.652 1.00 64.21 H new ATOM 0 HB2 GLU A 115 -13.277 -0.515 -22.902 1.00 44.04 H new ATOM 0 HB3 GLU A 115 -15.024 -0.537 -22.761 1.00 44.04 H new ATOM 0 HG2 GLU A 115 -14.536 2.145 -22.512 1.00 21.13 H new ATOM 0 HG3 GLU A 115 -13.208 1.673 -23.554 1.00 21.13 H new ATOM 1932 N ASP A 116 -14.680 -1.079 -19.016 1.00 42.42 N ATOM 1933 CA ASP A 116 -15.191 -2.220 -18.266 1.00 50.10 C ATOM 1934 C ASP A 116 -15.283 -1.895 -16.778 1.00 55.14 C ATOM 1935 O ASP A 116 -16.361 -1.902 -16.182 1.00 43.02 O ATOM 1936 CB ASP A 116 -14.294 -3.441 -18.479 1.00 55.54 C ATOM 1937 CG ASP A 116 -14.984 -4.534 -19.271 1.00 71.12 C ATOM 1938 OD1 ASP A 116 -16.207 -4.712 -19.096 1.00 15.44 O ATOM 1939 OD2 ASP A 116 -14.300 -5.213 -20.066 1.00 12.01 O ATOM 0 H ASP A 116 -14.433 -0.273 -18.441 1.00 42.42 H new ATOM 0 HA ASP A 116 -16.192 -2.446 -18.633 1.00 50.10 H new ATOM 0 HB2 ASP A 116 -13.387 -3.136 -19.001 1.00 55.54 H new ATOM 0 HB3 ASP A 116 -13.987 -3.836 -17.511 1.00 55.54 H new ATOM 1944 N PRO A 117 -14.128 -1.604 -16.163 1.00 22.11 N ATOM 1945 CA PRO A 117 -14.052 -1.272 -14.737 1.00 41.32 C ATOM 1946 C PRO A 117 -14.673 0.085 -14.424 1.00 52.25 C ATOM 1947 O PRO A 117 -15.546 0.195 -13.563 1.00 22.25 O ATOM 1948 CB PRO A 117 -12.547 -1.248 -14.458 1.00 51.11 C ATOM 1949 CG PRO A 117 -11.922 -0.940 -15.775 1.00 54.10 C ATOM 1950 CD PRO A 117 -12.806 -1.577 -16.812 1.00 11.34 C ATOM 0 HA PRO A 117 -14.602 -1.985 -14.123 1.00 41.32 H new ATOM 0 HB2 PRO A 117 -12.294 -0.493 -13.714 1.00 51.11 H new ATOM 0 HB3 PRO A 117 -12.201 -2.206 -14.070 1.00 51.11 H new ATOM 0 HG2 PRO A 117 -11.851 0.136 -15.931 1.00 54.10 H new ATOM 0 HG3 PRO A 117 -10.909 -1.338 -15.829 1.00 54.10 H new ATOM 0 HD2 PRO A 117 -12.823 -0.998 -17.736 1.00 11.34 H new ATOM 0 HD3 PRO A 117 -12.465 -2.579 -17.070 1.00 11.34 H new ATOM 1958 N ILE A 118 -14.219 1.115 -15.130 1.00 1.51 N ATOM 1959 CA ILE A 118 -14.732 2.465 -14.928 1.00 30.32 C ATOM 1960 C ILE A 118 -16.024 2.684 -15.708 1.00 43.21 C ATOM 1961 O ILE A 118 -16.715 3.684 -15.514 1.00 75.22 O ATOM 1962 CB ILE A 118 -13.702 3.528 -15.352 1.00 51.22 C ATOM 1963 CG1 ILE A 118 -12.890 3.033 -16.550 1.00 44.25 C ATOM 1964 CG2 ILE A 118 -12.784 3.871 -14.188 1.00 73.12 C ATOM 1965 CD1 ILE A 118 -13.743 2.606 -17.724 1.00 40.22 C ATOM 0 H ILE A 118 -13.497 1.041 -15.847 1.00 1.51 H new ATOM 0 HA ILE A 118 -14.932 2.571 -13.862 1.00 30.32 H new ATOM 0 HB ILE A 118 -14.235 4.432 -15.647 1.00 51.22 H new ATOM 0 HG12 ILE A 118 -12.213 3.825 -16.872 1.00 44.25 H new ATOM 0 HG13 ILE A 118 -12.271 2.192 -16.237 1.00 44.25 H new ATOM 0 HG21 ILE A 118 -12.062 4.624 -14.504 1.00 73.12 H new ATOM 0 HG22 ILE A 118 -13.376 4.261 -13.360 1.00 73.12 H new ATOM 0 HG23 ILE A 118 -12.256 2.974 -13.865 1.00 73.12 H new ATOM 0 HD11 ILE A 118 -13.100 2.267 -18.537 1.00 40.22 H new ATOM 0 HD12 ILE A 118 -14.401 1.793 -17.419 1.00 40.22 H new ATOM 0 HD13 ILE A 118 -14.343 3.450 -18.064 1.00 40.22 H new ATOM 1977 N TRP A 119 -16.343 1.743 -16.589 1.00 11.11 N ATOM 1978 CA TRP A 119 -17.554 1.833 -17.398 1.00 25.32 C ATOM 1979 C TRP A 119 -18.793 1.549 -16.556 1.00 62.42 C ATOM 1980 O TRP A 119 -19.839 2.168 -16.748 1.00 43.03 O ATOM 1981 CB TRP A 119 -17.482 0.853 -18.570 1.00 31.42 C ATOM 1982 CG TRP A 119 -18.537 1.090 -19.608 1.00 20.13 C ATOM 1983 CD1 TRP A 119 -19.462 0.191 -20.057 1.00 23.11 C ATOM 1984 CD2 TRP A 119 -18.774 2.305 -20.327 1.00 4.11 C ATOM 1985 NE1 TRP A 119 -20.259 0.774 -21.012 1.00 50.11 N ATOM 1986 CE2 TRP A 119 -19.858 2.071 -21.195 1.00 41.01 C ATOM 1987 CE3 TRP A 119 -18.177 3.569 -20.320 1.00 63.44 C ATOM 1988 CZ2 TRP A 119 -20.354 3.054 -22.047 1.00 72.34 C ATOM 1989 CZ3 TRP A 119 -18.670 4.543 -21.167 1.00 73.22 C ATOM 1990 CH2 TRP A 119 -19.751 4.282 -22.020 1.00 63.44 C ATOM 0 H TRP A 119 -15.781 0.910 -16.762 1.00 11.11 H new ATOM 0 HA TRP A 119 -17.628 2.849 -17.787 1.00 25.32 H new ATOM 0 HB2 TRP A 119 -16.500 0.928 -19.037 1.00 31.42 H new ATOM 0 HB3 TRP A 119 -17.578 -0.164 -18.190 1.00 31.42 H new ATOM 0 HD1 TRP A 119 -19.553 -0.828 -19.712 1.00 23.11 H new ATOM 0 HE1 TRP A 119 -21.025 0.315 -21.505 1.00 50.11 H new ATOM 0 HE3 TRP A 119 -17.345 3.780 -19.664 1.00 63.44 H new ATOM 0 HZ2 TRP A 119 -21.186 2.854 -22.706 1.00 72.34 H new ATOM 0 HZ3 TRP A 119 -18.215 5.522 -21.172 1.00 73.22 H new ATOM 0 HH2 TRP A 119 -20.115 5.065 -22.668 1.00 63.44 H new ATOM 2001 N GLN A 120 -18.668 0.609 -15.624 1.00 45.24 N ATOM 2002 CA GLN A 120 -19.779 0.244 -14.754 1.00 71.03 C ATOM 2003 C GLN A 120 -19.729 1.030 -13.448 1.00 71.13 C ATOM 2004 O GLN A 120 -20.513 1.956 -13.239 1.00 33.21 O ATOM 2005 CB GLN A 120 -19.753 -1.257 -14.461 1.00 71.13 C ATOM 2006 CG GLN A 120 -20.837 -1.707 -13.496 1.00 33.45 C ATOM 2007 CD GLN A 120 -21.008 -3.213 -13.471 1.00 30.53 C ATOM 2008 OE1 GLN A 120 -20.465 -3.925 -14.316 1.00 73.43 O ATOM 2009 NE2 GLN A 120 -21.765 -3.708 -12.498 1.00 51.22 N ATOM 0 H GLN A 120 -17.809 0.087 -15.453 1.00 45.24 H new ATOM 0 HA GLN A 120 -20.707 0.490 -15.270 1.00 71.03 H new ATOM 0 HB2 GLN A 120 -19.862 -1.804 -15.398 1.00 71.13 H new ATOM 0 HB3 GLN A 120 -18.779 -1.522 -14.049 1.00 71.13 H new ATOM 0 HG2 GLN A 120 -20.594 -1.356 -12.493 1.00 33.45 H new ATOM 0 HG3 GLN A 120 -21.783 -1.242 -13.776 1.00 33.45 H new ATOM 0 HE21 GLN A 120 -22.196 -3.081 -11.818 1.00 51.22 H new ATOM 0 HE22 GLN A 120 -21.915 -4.715 -12.430 1.00 51.22 H new ATOM 2018 N TYR A 121 -18.803 0.655 -12.573 1.00 71.30 N ATOM 2019 CA TYR A 121 -18.653 1.323 -11.286 1.00 22.33 C ATOM 2020 C TYR A 121 -17.291 1.018 -10.670 1.00 22.14 C ATOM 2021 O TYR A 121 -16.577 0.125 -11.126 1.00 64.31 O ATOM 2022 CB TYR A 121 -19.766 0.890 -10.330 1.00 22.01 C ATOM 2023 CG TYR A 121 -20.992 1.772 -10.390 1.00 13.23 C ATOM 2024 CD1 TYR A 121 -20.966 3.067 -9.886 1.00 21.13 C ATOM 2025 CD2 TYR A 121 -22.178 1.311 -10.949 1.00 5.21 C ATOM 2026 CE1 TYR A 121 -22.084 3.876 -9.937 1.00 51.54 C ATOM 2027 CE2 TYR A 121 -23.300 2.114 -11.006 1.00 51.13 C ATOM 2028 CZ TYR A 121 -23.249 3.396 -10.499 1.00 65.20 C ATOM 2029 OH TYR A 121 -24.365 4.198 -10.553 1.00 11.30 O ATOM 0 H TYR A 121 -18.145 -0.108 -12.731 1.00 71.30 H new ATOM 0 HA TYR A 121 -18.724 2.398 -11.453 1.00 22.33 H new ATOM 0 HB2 TYR A 121 -20.054 -0.135 -10.562 1.00 22.01 H new ATOM 0 HB3 TYR A 121 -19.379 0.889 -9.311 1.00 22.01 H new ATOM 0 HD1 TYR A 121 -20.056 3.447 -9.447 1.00 21.13 H new ATOM 0 HD2 TYR A 121 -22.223 0.307 -11.346 1.00 5.21 H new ATOM 0 HE1 TYR A 121 -22.047 4.879 -9.539 1.00 51.54 H new ATOM 0 HE2 TYR A 121 -24.213 1.740 -11.445 1.00 51.13 H new ATOM 0 HH TYR A 121 -25.099 3.709 -10.980 1.00 11.30 H new ATOM 2039 N ILE A 122 -16.938 1.766 -9.630 1.00 15.23 N ATOM 2040 CA ILE A 122 -15.664 1.576 -8.949 1.00 63.21 C ATOM 2041 C ILE A 122 -15.469 0.119 -8.544 1.00 32.41 C ATOM 2042 O ILE A 122 -14.436 -0.485 -8.834 1.00 74.22 O ATOM 2043 CB ILE A 122 -15.557 2.464 -7.696 1.00 5.24 C ATOM 2044 CG1 ILE A 122 -16.600 2.046 -6.657 1.00 44.40 C ATOM 2045 CG2 ILE A 122 -15.729 3.929 -8.068 1.00 53.03 C ATOM 2046 CD1 ILE A 122 -16.527 2.844 -5.373 1.00 71.45 C ATOM 0 H ILE A 122 -17.517 2.510 -9.241 1.00 15.23 H new ATOM 0 HA ILE A 122 -14.884 1.862 -9.654 1.00 63.21 H new ATOM 0 HB ILE A 122 -14.566 2.334 -7.261 1.00 5.24 H new ATOM 0 HG12 ILE A 122 -17.595 2.157 -7.088 1.00 44.40 H new ATOM 0 HG13 ILE A 122 -16.468 0.989 -6.426 1.00 44.40 H new ATOM 0 HG21 ILE A 122 -15.651 4.544 -7.171 1.00 53.03 H new ATOM 0 HG22 ILE A 122 -14.952 4.218 -8.775 1.00 53.03 H new ATOM 0 HG23 ILE A 122 -16.708 4.076 -8.524 1.00 53.03 H new ATOM 0 HD11 ILE A 122 -17.295 2.494 -4.683 1.00 71.45 H new ATOM 0 HD12 ILE A 122 -15.545 2.714 -4.919 1.00 71.45 H new ATOM 0 HD13 ILE A 122 -16.689 3.900 -5.591 1.00 71.45 H new