USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 650 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 22 LYS NZ :NH3+ 176:sc= -0.235 (180deg=-0.34) USER MOD Set 1.2: A 71 GLN : amide:sc= -0.805 K(o=-1,f=-0.037) USER MOD Set 2.1: A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0.0182 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -117:sc= -3.11! (180deg=-5.17!) USER MOD Single : A 42 TYR OH : rot 30:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.486 K(o=-0.49,f=-2.5) USER MOD Single : A 46 GLN : amide:sc= 0.704 K(o=0.7,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= -0.408 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 180:sc= -0.298 USER MOD Single : A 62 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.00032) USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 69 ASN : amide:sc= -0.153 K(o=-0.15,f=-1.8!) USER MOD Single : A 70 CYS SG : rot 26:sc= -1.01 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 30:sc= -0.25 USER MOD Single : A 79 TYR OH : rot 87:sc= 0.0584 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.063) USER MOD Single : A 87 CYS SG : rot 36:sc= -3.21! USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot -177:sc= 0.828 USER MOD ----------------------------------------------------------------- ATOM 76 N ALA A 9 -11.922 -0.832 -9.373 1.00 0.00 N ATOM 77 CA ALA A 9 -12.137 -0.621 -7.947 1.00 0.00 C ATOM 78 C ALA A 9 -11.131 0.377 -7.382 1.00 0.00 C ATOM 79 O ALA A 9 -11.433 1.112 -6.442 1.00 0.00 O ATOM 80 CB ALA A 9 -12.049 -1.943 -7.198 1.00 0.00 C ATOM 0 HA ALA A 9 -13.136 -0.206 -7.813 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -12.212 -1.770 -6.134 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.810 -2.626 -7.575 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.062 -2.381 -7.348 1.00 0.00 H new ATOM 86 N PHE A 10 -9.936 0.398 -7.961 1.00 0.00 N ATOM 87 CA PHE A 10 -8.885 1.305 -7.514 1.00 0.00 C ATOM 88 C PHE A 10 -8.862 2.572 -8.364 1.00 0.00 C ATOM 89 O PHE A 10 -8.487 2.539 -9.536 1.00 0.00 O ATOM 90 CB PHE A 10 -7.523 0.611 -7.576 1.00 0.00 C ATOM 91 CG PHE A 10 -7.212 -0.211 -6.358 1.00 0.00 C ATOM 92 CD1 PHE A 10 -6.818 0.399 -5.177 1.00 0.00 C ATOM 93 CD2 PHE A 10 -7.315 -1.592 -6.392 1.00 0.00 C ATOM 94 CE1 PHE A 10 -6.531 -0.355 -4.055 1.00 0.00 C ATOM 95 CE2 PHE A 10 -7.030 -2.351 -5.273 1.00 0.00 C ATOM 96 CZ PHE A 10 -6.639 -1.731 -4.102 1.00 0.00 C ATOM 0 H PHE A 10 -9.671 -0.203 -8.741 1.00 0.00 H new ATOM 0 HA PHE A 10 -9.096 1.585 -6.482 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.492 -0.032 -8.456 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.746 1.365 -7.704 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.734 1.475 -5.133 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -7.622 -2.082 -7.304 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -6.222 0.132 -3.142 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -7.113 -3.427 -5.314 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.418 -2.321 -3.225 1.00 0.00 H new ATOM 106 N ALA A 11 -9.268 3.686 -7.765 1.00 0.00 N ATOM 107 CA ALA A 11 -9.293 4.964 -8.465 1.00 0.00 C ATOM 108 C ALA A 11 -7.883 5.424 -8.819 1.00 0.00 C ATOM 109 O ALA A 11 -7.672 6.094 -9.830 1.00 0.00 O ATOM 110 CB ALA A 11 -9.996 6.016 -7.620 1.00 0.00 C ATOM 0 H ALA A 11 -9.584 3.729 -6.796 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.848 4.830 -9.394 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.007 6.965 -8.156 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.020 5.699 -7.422 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.465 6.138 -6.676 1.00 0.00 H new ATOM 116 N LYS A 12 -6.919 5.061 -7.980 1.00 0.00 N ATOM 117 CA LYS A 12 -5.527 5.435 -8.204 1.00 0.00 C ATOM 118 C LYS A 12 -4.582 4.380 -7.639 1.00 0.00 C ATOM 119 O LYS A 12 -4.432 4.255 -6.423 1.00 0.00 O ATOM 120 CB LYS A 12 -5.234 6.793 -7.563 1.00 0.00 C ATOM 121 CG LYS A 12 -4.112 7.558 -8.244 1.00 0.00 C ATOM 122 CD LYS A 12 -4.300 9.060 -8.111 1.00 0.00 C ATOM 123 CE LYS A 12 -3.048 9.817 -8.527 1.00 0.00 C ATOM 124 NZ LYS A 12 -2.973 11.159 -7.886 1.00 0.00 N ATOM 0 H LYS A 12 -7.076 4.508 -7.138 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.364 5.504 -9.279 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.140 7.398 -7.584 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.976 6.642 -6.515 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.156 7.270 -7.806 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.074 7.287 -9.299 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.141 9.379 -8.727 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.550 9.307 -7.079 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.166 9.236 -8.258 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.036 9.931 -9.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.106 11.643 -8.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.802 11.723 -8.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.959 11.049 -6.852 1.00 0.00 H new ATOM 138 N ILE A 13 -3.947 3.624 -8.528 1.00 0.00 N ATOM 139 CA ILE A 13 -3.015 2.582 -8.117 1.00 0.00 C ATOM 140 C ILE A 13 -1.674 3.177 -7.699 1.00 0.00 C ATOM 141 O ILE A 13 -1.256 4.215 -8.213 1.00 0.00 O ATOM 142 CB ILE A 13 -2.781 1.559 -9.244 1.00 0.00 C ATOM 143 CG1 ILE A 13 -2.094 2.229 -10.436 1.00 0.00 C ATOM 144 CG2 ILE A 13 -4.099 0.930 -9.671 1.00 0.00 C ATOM 145 CD1 ILE A 13 -0.585 2.125 -10.400 1.00 0.00 C ATOM 0 H ILE A 13 -4.061 3.714 -9.538 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.466 2.074 -7.265 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.129 0.770 -8.869 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.460 1.776 -11.358 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.377 3.281 -10.464 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.917 0.209 -10.468 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.553 0.423 -8.820 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.773 1.707 -10.031 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.165 2.621 -11.275 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.209 2.604 -9.496 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.292 1.075 -10.403 1.00 0.00 H new ATOM 157 N LEU A 14 -1.003 2.512 -6.765 1.00 0.00 N ATOM 158 CA LEU A 14 0.292 2.973 -6.279 1.00 0.00 C ATOM 159 C LEU A 14 1.223 3.307 -7.441 1.00 0.00 C ATOM 160 O LEU A 14 1.187 2.655 -8.485 1.00 0.00 O ATOM 161 CB LEU A 14 0.933 1.908 -5.387 1.00 0.00 C ATOM 162 CG LEU A 14 0.203 1.599 -4.080 1.00 0.00 C ATOM 163 CD1 LEU A 14 -0.788 0.462 -4.278 1.00 0.00 C ATOM 164 CD2 LEU A 14 1.198 1.257 -2.981 1.00 0.00 C ATOM 0 H LEU A 14 -1.335 1.652 -6.329 1.00 0.00 H new ATOM 0 HA LEU A 14 0.131 3.879 -5.695 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.016 0.985 -5.960 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.947 2.227 -5.147 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.351 2.487 -3.777 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.298 0.256 -3.337 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.521 0.745 -5.034 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.256 -0.431 -4.605 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.660 1.040 -2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.780 0.384 -3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.868 2.102 -2.821 1.00 0.00 H new ATOM 176 N ASP A 15 2.056 4.324 -7.251 1.00 0.00 N ATOM 177 CA ASP A 15 2.999 4.742 -8.282 1.00 0.00 C ATOM 178 C ASP A 15 3.709 3.537 -8.891 1.00 0.00 C ATOM 179 O ASP A 15 3.762 2.455 -8.304 1.00 0.00 O ATOM 180 CB ASP A 15 4.026 5.714 -7.700 1.00 0.00 C ATOM 181 CG ASP A 15 3.560 7.155 -7.763 1.00 0.00 C ATOM 182 OD1 ASP A 15 2.375 7.409 -7.465 1.00 0.00 O ATOM 183 OD2 ASP A 15 4.381 8.030 -8.112 1.00 0.00 O ATOM 0 H ASP A 15 2.098 4.874 -6.393 1.00 0.00 H new ATOM 0 HA ASP A 15 2.438 5.246 -9.069 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.229 5.446 -6.663 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.965 5.615 -8.244 1.00 0.00 H new ATOM 188 N PRO A 16 4.267 3.724 -10.096 1.00 0.00 N ATOM 189 CA PRO A 16 4.983 2.664 -10.811 1.00 0.00 C ATOM 190 C PRO A 16 6.308 2.308 -10.144 1.00 0.00 C ATOM 191 O PRO A 16 6.893 1.263 -10.425 1.00 0.00 O ATOM 192 CB PRO A 16 5.227 3.270 -12.195 1.00 0.00 C ATOM 193 CG PRO A 16 5.220 4.743 -11.969 1.00 0.00 C ATOM 194 CD PRO A 16 4.242 4.987 -10.854 1.00 0.00 C ATOM 0 HA PRO A 16 4.416 1.733 -10.833 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.178 2.938 -12.611 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.450 2.974 -12.900 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.214 5.101 -11.701 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.922 5.275 -12.873 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.541 5.833 -10.235 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.245 5.207 -11.235 1.00 0.00 H new ATOM 202 N ALA A 17 6.774 3.184 -9.260 1.00 0.00 N ATOM 203 CA ALA A 17 8.028 2.960 -8.552 1.00 0.00 C ATOM 204 C ALA A 17 8.263 4.036 -7.497 1.00 0.00 C ATOM 205 O ALA A 17 8.107 5.227 -7.767 1.00 0.00 O ATOM 206 CB ALA A 17 9.189 2.919 -9.535 1.00 0.00 C ATOM 0 H ALA A 17 6.302 4.055 -9.017 1.00 0.00 H new ATOM 0 HA ALA A 17 7.963 1.998 -8.043 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.119 2.751 -8.992 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.034 2.109 -10.248 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.247 3.867 -10.070 1.00 0.00 H new ATOM 212 N TYR A 18 8.637 3.609 -6.296 1.00 0.00 N ATOM 213 CA TYR A 18 8.889 4.537 -5.200 1.00 0.00 C ATOM 214 C TYR A 18 10.383 4.640 -4.907 1.00 0.00 C ATOM 215 O TYR A 18 11.155 3.740 -5.239 1.00 0.00 O ATOM 216 CB TYR A 18 8.142 4.089 -3.943 1.00 0.00 C ATOM 217 CG TYR A 18 6.656 4.365 -3.992 1.00 0.00 C ATOM 218 CD1 TYR A 18 5.807 3.577 -4.759 1.00 0.00 C ATOM 219 CD2 TYR A 18 6.100 5.414 -3.270 1.00 0.00 C ATOM 220 CE1 TYR A 18 4.450 3.826 -4.807 1.00 0.00 C ATOM 221 CE2 TYR A 18 4.743 5.670 -3.311 1.00 0.00 C ATOM 222 CZ TYR A 18 3.922 4.873 -4.081 1.00 0.00 C ATOM 223 OH TYR A 18 2.570 5.124 -4.125 1.00 0.00 O ATOM 0 H TYR A 18 8.772 2.627 -6.057 1.00 0.00 H new ATOM 0 HA TYR A 18 8.526 5.520 -5.499 1.00 0.00 H new ATOM 0 HB2 TYR A 18 8.300 3.020 -3.798 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.569 4.595 -3.077 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.216 2.755 -5.328 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.740 6.040 -2.666 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.805 3.204 -5.410 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.327 6.489 -2.743 1.00 0.00 H new ATOM 0 HH TYR A 18 2.362 5.895 -3.557 1.00 0.00 H new ATOM 233 N GLN A 19 10.782 5.743 -4.283 1.00 0.00 N ATOM 234 CA GLN A 19 12.183 5.965 -3.945 1.00 0.00 C ATOM 235 C GLN A 19 12.313 6.669 -2.598 1.00 0.00 C ATOM 236 O GLN A 19 11.722 7.726 -2.378 1.00 0.00 O ATOM 237 CB GLN A 19 12.868 6.793 -5.034 1.00 0.00 C ATOM 238 CG GLN A 19 12.860 6.126 -6.400 1.00 0.00 C ATOM 239 CD GLN A 19 13.024 7.118 -7.535 1.00 0.00 C ATOM 240 OE1 GLN A 19 13.880 8.001 -7.483 1.00 0.00 O ATOM 241 NE2 GLN A 19 12.203 6.977 -8.569 1.00 0.00 N ATOM 0 H GLN A 19 10.155 6.497 -4.001 1.00 0.00 H new ATOM 0 HA GLN A 19 12.672 4.993 -3.876 1.00 0.00 H new ATOM 0 HB2 GLN A 19 12.373 7.761 -5.109 1.00 0.00 H new ATOM 0 HB3 GLN A 19 13.899 6.985 -4.738 1.00 0.00 H new ATOM 0 HG2 GLN A 19 13.664 5.391 -6.446 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.924 5.583 -6.530 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.508 6.231 -8.570 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.267 7.615 -9.362 1.00 0.00 H new ATOM 250 N VAL A 20 13.091 6.074 -1.699 1.00 0.00 N ATOM 251 CA VAL A 20 13.300 6.644 -0.373 1.00 0.00 C ATOM 252 C VAL A 20 14.732 6.424 0.101 1.00 0.00 C ATOM 253 O VAL A 20 15.444 5.565 -0.420 1.00 0.00 O ATOM 254 CB VAL A 20 12.330 6.037 0.658 1.00 0.00 C ATOM 255 CG1 VAL A 20 12.770 4.632 1.041 1.00 0.00 C ATOM 256 CG2 VAL A 20 12.233 6.928 1.887 1.00 0.00 C ATOM 0 H VAL A 20 13.587 5.198 -1.865 1.00 0.00 H new ATOM 0 HA VAL A 20 13.109 7.714 -0.455 1.00 0.00 H new ATOM 0 HB VAL A 20 11.340 5.972 0.206 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.073 4.219 1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.783 4.000 0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 20 13.769 4.669 1.475 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.543 6.484 2.605 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.218 7.027 2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.868 7.913 1.595 1.00 0.00 H new ATOM 266 N ASP A 21 15.148 7.204 1.093 1.00 0.00 N ATOM 267 CA ASP A 21 16.495 7.093 1.639 1.00 0.00 C ATOM 268 C ASP A 21 16.595 5.916 2.604 1.00 0.00 C ATOM 269 O ASP A 21 15.615 5.540 3.247 1.00 0.00 O ATOM 270 CB ASP A 21 16.887 8.388 2.353 1.00 0.00 C ATOM 271 CG ASP A 21 18.379 8.650 2.299 1.00 0.00 C ATOM 272 OD1 ASP A 21 18.985 8.415 1.232 1.00 0.00 O ATOM 273 OD2 ASP A 21 18.942 9.088 3.324 1.00 0.00 O ATOM 0 H ASP A 21 14.571 7.920 1.535 1.00 0.00 H new ATOM 0 HA ASP A 21 17.183 6.921 0.811 1.00 0.00 H new ATOM 0 HB2 ASP A 21 16.357 9.225 1.898 1.00 0.00 H new ATOM 0 HB3 ASP A 21 16.568 8.337 3.394 1.00 0.00 H new ATOM 278 N LYS A 22 17.787 5.336 2.699 1.00 0.00 N ATOM 279 CA LYS A 22 18.017 4.201 3.585 1.00 0.00 C ATOM 280 C LYS A 22 17.436 4.465 4.970 1.00 0.00 C ATOM 281 O LYS A 22 17.263 5.615 5.372 1.00 0.00 O ATOM 282 CB LYS A 22 19.515 3.909 3.695 1.00 0.00 C ATOM 283 CG LYS A 22 19.828 2.562 4.324 1.00 0.00 C ATOM 284 CD LYS A 22 21.279 2.477 4.767 1.00 0.00 C ATOM 285 CE LYS A 22 21.522 3.279 6.037 1.00 0.00 C ATOM 286 NZ LYS A 22 20.807 2.696 7.206 1.00 0.00 N ATOM 0 H LYS A 22 18.609 5.634 2.173 1.00 0.00 H new ATOM 0 HA LYS A 22 17.514 3.332 3.160 1.00 0.00 H new ATOM 0 HB2 LYS A 22 19.958 3.948 2.700 1.00 0.00 H new ATOM 0 HB3 LYS A 22 19.987 4.695 4.285 1.00 0.00 H new ATOM 0 HG2 LYS A 22 19.175 2.399 5.181 1.00 0.00 H new ATOM 0 HG3 LYS A 22 19.618 1.767 3.608 1.00 0.00 H new ATOM 0 HD2 LYS A 22 21.548 1.434 4.937 1.00 0.00 H new ATOM 0 HD3 LYS A 22 21.926 2.848 3.972 1.00 0.00 H new ATOM 0 HE2 LYS A 22 22.591 3.314 6.246 1.00 0.00 H new ATOM 0 HE3 LYS A 22 21.193 4.307 5.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 21.051 3.230 8.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 19.781 2.748 7.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 21.089 1.702 7.325 1.00 0.00 H new ATOM 300 N GLY A 23 17.139 3.392 5.697 1.00 0.00 N ATOM 301 CA GLY A 23 16.582 3.530 7.030 1.00 0.00 C ATOM 302 C GLY A 23 15.669 4.734 7.155 1.00 0.00 C ATOM 303 O GLY A 23 15.674 5.422 8.175 1.00 0.00 O ATOM 0 H GLY A 23 17.274 2.430 5.387 1.00 0.00 H new ATOM 0 HA2 GLY A 23 16.025 2.628 7.283 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.394 3.617 7.752 1.00 0.00 H new ATOM 307 N GLY A 24 14.884 4.990 6.113 1.00 0.00 N ATOM 308 CA GLY A 24 13.974 6.120 6.131 1.00 0.00 C ATOM 309 C GLY A 24 12.526 5.696 6.274 1.00 0.00 C ATOM 310 O GLY A 24 12.226 4.700 6.934 1.00 0.00 O ATOM 0 H GLY A 24 14.862 4.435 5.257 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.238 6.782 6.955 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.093 6.693 5.211 1.00 0.00 H new ATOM 314 N ARG A 25 11.625 6.454 5.658 1.00 0.00 N ATOM 315 CA ARG A 25 10.200 6.153 5.723 1.00 0.00 C ATOM 316 C ARG A 25 9.522 6.437 4.385 1.00 0.00 C ATOM 317 O ARG A 25 9.658 7.526 3.828 1.00 0.00 O ATOM 318 CB ARG A 25 9.533 6.973 6.828 1.00 0.00 C ATOM 319 CG ARG A 25 8.119 6.521 7.154 1.00 0.00 C ATOM 320 CD ARG A 25 7.485 7.400 8.220 1.00 0.00 C ATOM 321 NE ARG A 25 6.932 8.630 7.658 1.00 0.00 N ATOM 322 CZ ARG A 25 6.688 9.721 8.374 1.00 0.00 C ATOM 323 NH1 ARG A 25 6.946 9.736 9.675 1.00 0.00 N ATOM 324 NH2 ARG A 25 6.184 10.801 7.791 1.00 0.00 N ATOM 0 H ARG A 25 11.857 7.281 5.108 1.00 0.00 H new ATOM 0 HA ARG A 25 10.089 5.093 5.950 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.141 6.913 7.730 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.510 8.021 6.528 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.510 6.547 6.250 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.137 5.487 7.497 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.694 6.845 8.725 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.231 7.650 8.975 1.00 0.00 H new ATOM 0 HE ARG A 25 6.722 8.652 6.660 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.333 8.908 10.128 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.758 10.576 10.223 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.983 10.794 6.791 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.997 11.638 8.343 1.00 0.00 H new ATOM 338 N VAL A 26 8.794 5.449 3.875 1.00 0.00 N ATOM 339 CA VAL A 26 8.095 5.592 2.604 1.00 0.00 C ATOM 340 C VAL A 26 6.636 5.979 2.819 1.00 0.00 C ATOM 341 O VAL A 26 6.130 5.934 3.941 1.00 0.00 O ATOM 342 CB VAL A 26 8.154 4.292 1.781 1.00 0.00 C ATOM 343 CG1 VAL A 26 9.537 4.105 1.175 1.00 0.00 C ATOM 344 CG2 VAL A 26 7.775 3.098 2.644 1.00 0.00 C ATOM 0 H VAL A 26 8.673 4.541 4.323 1.00 0.00 H new ATOM 0 HA VAL A 26 8.601 6.385 2.053 1.00 0.00 H new ATOM 0 HB VAL A 26 7.434 4.366 0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.559 3.181 0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.765 4.947 0.522 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.279 4.053 1.972 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.822 2.188 2.046 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.469 3.019 3.481 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.762 3.231 3.024 1.00 0.00 H new ATOM 354 N ARG A 27 5.964 6.358 1.737 1.00 0.00 N ATOM 355 CA ARG A 27 4.562 6.753 1.807 1.00 0.00 C ATOM 356 C ARG A 27 3.769 6.150 0.651 1.00 0.00 C ATOM 357 O ARG A 27 3.914 6.567 -0.498 1.00 0.00 O ATOM 358 CB ARG A 27 4.439 8.278 1.785 1.00 0.00 C ATOM 359 CG ARG A 27 3.013 8.775 1.956 1.00 0.00 C ATOM 360 CD ARG A 27 2.958 10.293 2.036 1.00 0.00 C ATOM 361 NE ARG A 27 3.551 10.924 0.860 1.00 0.00 N ATOM 362 CZ ARG A 27 2.894 11.125 -0.277 1.00 0.00 C ATOM 363 NH1 ARG A 27 1.628 10.746 -0.390 1.00 0.00 N ATOM 364 NH2 ARG A 27 3.502 11.706 -1.303 1.00 0.00 N ATOM 0 H ARG A 27 6.368 6.400 0.801 1.00 0.00 H new ATOM 0 HA ARG A 27 4.150 6.376 2.743 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.058 8.696 2.579 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.835 8.653 0.841 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.404 8.431 1.120 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.583 8.346 2.861 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.921 10.614 2.135 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.482 10.628 2.931 1.00 0.00 H new ATOM 0 HE ARG A 27 4.523 11.227 0.915 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.157 10.299 0.397 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.125 10.901 -1.264 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.475 11.999 -1.220 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.996 11.860 -2.175 1.00 0.00 H new ATOM 378 N PHE A 28 2.931 5.168 0.965 1.00 0.00 N ATOM 379 CA PHE A 28 2.115 4.507 -0.047 1.00 0.00 C ATOM 380 C PHE A 28 0.651 4.914 0.083 1.00 0.00 C ATOM 381 O PHE A 28 -0.015 4.575 1.061 1.00 0.00 O ATOM 382 CB PHE A 28 2.247 2.987 0.074 1.00 0.00 C ATOM 383 CG PHE A 28 3.622 2.476 -0.249 1.00 0.00 C ATOM 384 CD1 PHE A 28 4.136 2.594 -1.530 1.00 0.00 C ATOM 385 CD2 PHE A 28 4.401 1.879 0.729 1.00 0.00 C ATOM 386 CE1 PHE A 28 5.401 2.125 -1.831 1.00 0.00 C ATOM 387 CE2 PHE A 28 5.667 1.409 0.434 1.00 0.00 C ATOM 388 CZ PHE A 28 6.167 1.531 -0.847 1.00 0.00 C ATOM 0 H PHE A 28 2.799 4.812 1.912 1.00 0.00 H new ATOM 0 HA PHE A 28 2.474 4.819 -1.028 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.986 2.688 1.089 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.526 2.514 -0.593 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.541 3.058 -2.303 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.015 1.780 1.733 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.790 2.223 -2.834 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.265 0.946 1.205 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.155 1.163 -1.079 1.00 0.00 H new ATOM 398 N VAL A 29 0.155 5.644 -0.911 1.00 0.00 N ATOM 399 CA VAL A 29 -1.231 6.098 -0.909 1.00 0.00 C ATOM 400 C VAL A 29 -2.035 5.414 -2.009 1.00 0.00 C ATOM 401 O VAL A 29 -1.530 5.178 -3.107 1.00 0.00 O ATOM 402 CB VAL A 29 -1.321 7.624 -1.095 1.00 0.00 C ATOM 403 CG1 VAL A 29 -2.775 8.073 -1.129 1.00 0.00 C ATOM 404 CG2 VAL A 29 -0.559 8.342 0.008 1.00 0.00 C ATOM 0 H VAL A 29 0.692 5.934 -1.728 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.650 5.832 0.061 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.863 7.883 -2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.819 9.154 -1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.287 7.585 -1.958 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.262 7.802 -0.192 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.634 9.419 -0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.985 8.078 0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.489 8.044 -0.020 1.00 0.00 H new ATOM 414 N VAL A 30 -3.290 5.098 -1.707 1.00 0.00 N ATOM 415 CA VAL A 30 -4.166 4.442 -2.671 1.00 0.00 C ATOM 416 C VAL A 30 -5.608 4.907 -2.508 1.00 0.00 C ATOM 417 O VAL A 30 -6.116 5.008 -1.392 1.00 0.00 O ATOM 418 CB VAL A 30 -4.113 2.910 -2.525 1.00 0.00 C ATOM 419 CG1 VAL A 30 -2.720 2.390 -2.849 1.00 0.00 C ATOM 420 CG2 VAL A 30 -4.534 2.493 -1.124 1.00 0.00 C ATOM 0 H VAL A 30 -3.723 5.285 -0.803 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.808 4.718 -3.663 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.813 2.471 -3.236 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.702 1.306 -2.740 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.461 2.656 -3.874 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.997 2.835 -2.165 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.491 1.407 -1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.861 2.941 -0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.553 2.831 -0.934 1.00 0.00 H new ATOM 430 N GLU A 31 -6.264 5.190 -3.630 1.00 0.00 N ATOM 431 CA GLU A 31 -7.649 5.645 -3.611 1.00 0.00 C ATOM 432 C GLU A 31 -8.600 4.509 -3.975 1.00 0.00 C ATOM 433 O GLU A 31 -8.271 3.644 -4.788 1.00 0.00 O ATOM 434 CB GLU A 31 -7.838 6.814 -4.580 1.00 0.00 C ATOM 435 CG GLU A 31 -7.606 8.174 -3.945 1.00 0.00 C ATOM 436 CD GLU A 31 -7.782 9.315 -4.929 1.00 0.00 C ATOM 437 OE1 GLU A 31 -7.655 9.072 -6.147 1.00 0.00 O ATOM 438 OE2 GLU A 31 -8.048 10.450 -4.481 1.00 0.00 O ATOM 0 H GLU A 31 -5.858 5.112 -4.563 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.881 5.979 -2.600 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.154 6.693 -5.420 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.849 6.779 -4.985 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.299 8.306 -3.114 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.599 8.210 -3.529 1.00 0.00 H new ATOM 445 N LEU A 32 -9.781 4.516 -3.367 1.00 0.00 N ATOM 446 CA LEU A 32 -10.781 3.486 -3.625 1.00 0.00 C ATOM 447 C LEU A 32 -12.068 4.101 -4.167 1.00 0.00 C ATOM 448 O LEU A 32 -12.684 4.947 -3.520 1.00 0.00 O ATOM 449 CB LEU A 32 -11.077 2.702 -2.346 1.00 0.00 C ATOM 450 CG LEU A 32 -9.859 2.213 -1.562 1.00 0.00 C ATOM 451 CD1 LEU A 32 -10.176 2.135 -0.077 1.00 0.00 C ATOM 452 CD2 LEU A 32 -9.398 0.859 -2.082 1.00 0.00 C ATOM 0 H LEU A 32 -10.070 5.224 -2.692 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.380 2.805 -4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.678 3.331 -1.689 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.687 1.837 -2.607 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.049 2.929 -1.703 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.297 1.785 0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.457 3.123 0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.001 1.441 0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.530 0.527 -1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.204 0.133 -1.972 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.129 0.946 -3.135 1.00 0.00 H new ATOM 464 N ALA A 33 -12.469 3.667 -5.358 1.00 0.00 N ATOM 465 CA ALA A 33 -13.685 4.171 -5.985 1.00 0.00 C ATOM 466 C ALA A 33 -14.823 4.271 -4.975 1.00 0.00 C ATOM 467 O ALA A 33 -15.647 5.182 -5.042 1.00 0.00 O ATOM 468 CB ALA A 33 -14.087 3.279 -7.150 1.00 0.00 C ATOM 0 H ALA A 33 -11.970 2.968 -5.908 1.00 0.00 H new ATOM 0 HA ALA A 33 -13.481 5.173 -6.363 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -14.996 3.667 -7.609 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -13.286 3.263 -7.889 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -14.267 2.267 -6.788 1.00 0.00 H new ATOM 474 N ASP A 34 -14.862 3.328 -4.040 1.00 0.00 N ATOM 475 CA ASP A 34 -15.899 3.310 -3.015 1.00 0.00 C ATOM 476 C ASP A 34 -15.336 2.831 -1.681 1.00 0.00 C ATOM 477 O ASP A 34 -14.472 1.956 -1.621 1.00 0.00 O ATOM 478 CB ASP A 34 -17.057 2.409 -3.447 1.00 0.00 C ATOM 479 CG ASP A 34 -17.996 3.099 -4.417 1.00 0.00 C ATOM 480 OD1 ASP A 34 -18.487 4.199 -4.087 1.00 0.00 O ATOM 481 OD2 ASP A 34 -18.241 2.538 -5.506 1.00 0.00 O ATOM 0 H ASP A 34 -14.187 2.566 -3.971 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.268 4.328 -2.889 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.658 1.507 -3.911 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -17.616 2.094 -2.566 1.00 0.00 H new ATOM 486 N PRO A 35 -15.835 3.418 -0.583 1.00 0.00 N ATOM 487 CA PRO A 35 -15.396 3.067 0.771 1.00 0.00 C ATOM 488 C PRO A 35 -15.856 1.674 1.188 1.00 0.00 C ATOM 489 O PRO A 35 -15.231 1.028 2.028 1.00 0.00 O ATOM 490 CB PRO A 35 -16.060 4.133 1.647 1.00 0.00 C ATOM 491 CG PRO A 35 -17.254 4.570 0.871 1.00 0.00 C ATOM 492 CD PRO A 35 -16.867 4.468 -0.578 1.00 0.00 C ATOM 0 HA PRO A 35 -14.309 3.044 0.853 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -16.345 3.727 2.617 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -15.384 4.967 1.837 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -18.115 3.938 1.090 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -17.535 5.591 1.129 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -17.718 4.198 -1.203 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.480 5.413 -0.958 1.00 0.00 H new ATOM 500 N LYS A 36 -16.953 1.216 0.594 1.00 0.00 N ATOM 501 CA LYS A 36 -17.497 -0.101 0.901 1.00 0.00 C ATOM 502 C LYS A 36 -16.435 -1.182 0.727 1.00 0.00 C ATOM 503 O LYS A 36 -16.308 -2.082 1.558 1.00 0.00 O ATOM 504 CB LYS A 36 -18.699 -0.402 0.002 1.00 0.00 C ATOM 505 CG LYS A 36 -19.857 0.562 0.193 1.00 0.00 C ATOM 506 CD LYS A 36 -21.136 0.025 -0.428 1.00 0.00 C ATOM 507 CE LYS A 36 -21.079 0.068 -1.947 1.00 0.00 C ATOM 508 NZ LYS A 36 -22.264 -0.588 -2.566 1.00 0.00 N ATOM 0 H LYS A 36 -17.483 1.738 -0.104 1.00 0.00 H new ATOM 0 HA LYS A 36 -17.821 -0.099 1.942 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -18.380 -0.372 -1.040 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -19.045 -1.416 0.200 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -20.014 0.738 1.257 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -19.609 1.524 -0.256 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -21.299 -1.001 -0.098 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -21.986 0.611 -0.078 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -21.023 1.105 -2.279 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -20.170 -0.426 -2.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -22.187 -0.537 -3.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -22.303 -1.584 -2.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -23.130 -0.101 -2.259 1.00 0.00 H new ATOM 522 N LEU A 37 -15.674 -1.087 -0.358 1.00 0.00 N ATOM 523 CA LEU A 37 -14.621 -2.057 -0.640 1.00 0.00 C ATOM 524 C LEU A 37 -13.548 -2.026 0.443 1.00 0.00 C ATOM 525 O LEU A 37 -13.247 -0.972 1.002 1.00 0.00 O ATOM 526 CB LEU A 37 -13.992 -1.773 -2.006 1.00 0.00 C ATOM 527 CG LEU A 37 -14.912 -1.940 -3.216 1.00 0.00 C ATOM 528 CD1 LEU A 37 -14.239 -1.413 -4.474 1.00 0.00 C ATOM 529 CD2 LEU A 37 -15.304 -3.400 -3.390 1.00 0.00 C ATOM 0 H LEU A 37 -15.766 -0.349 -1.056 1.00 0.00 H new ATOM 0 HA LEU A 37 -15.069 -3.050 -0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.611 -0.752 -2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.134 -2.433 -2.133 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.818 -1.360 -3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -14.908 -1.540 -5.325 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.009 -0.355 -4.348 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.317 -1.966 -4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -15.959 -3.500 -4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.408 -4.002 -3.541 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.827 -3.745 -2.498 1.00 0.00 H new ATOM 541 N GLU A 38 -12.973 -3.190 0.732 1.00 0.00 N ATOM 542 CA GLU A 38 -11.931 -3.295 1.748 1.00 0.00 C ATOM 543 C GLU A 38 -10.545 -3.253 1.112 1.00 0.00 C ATOM 544 O GLU A 38 -10.382 -3.558 -0.070 1.00 0.00 O ATOM 545 CB GLU A 38 -12.098 -4.587 2.549 1.00 0.00 C ATOM 546 CG GLU A 38 -10.954 -4.859 3.511 1.00 0.00 C ATOM 547 CD GLU A 38 -10.901 -3.862 4.652 1.00 0.00 C ATOM 548 OE1 GLU A 38 -10.787 -2.649 4.376 1.00 0.00 O ATOM 549 OE2 GLU A 38 -10.974 -4.294 5.821 1.00 0.00 O ATOM 0 H GLU A 38 -13.211 -4.072 0.278 1.00 0.00 H new ATOM 0 HA GLU A 38 -12.028 -2.443 2.421 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.030 -4.538 3.111 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.187 -5.425 1.857 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.058 -5.865 3.917 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.011 -4.831 2.965 1.00 0.00 H new ATOM 556 N VAL A 39 -9.548 -2.874 1.904 1.00 0.00 N ATOM 557 CA VAL A 39 -8.175 -2.793 1.420 1.00 0.00 C ATOM 558 C VAL A 39 -7.253 -3.701 2.227 1.00 0.00 C ATOM 559 O VAL A 39 -7.391 -3.820 3.444 1.00 0.00 O ATOM 560 CB VAL A 39 -7.641 -1.349 1.486 1.00 0.00 C ATOM 561 CG1 VAL A 39 -8.402 -0.454 0.520 1.00 0.00 C ATOM 562 CG2 VAL A 39 -7.730 -0.813 2.906 1.00 0.00 C ATOM 0 H VAL A 39 -9.665 -2.618 2.884 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.186 -3.122 0.381 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.592 -1.354 1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.011 0.562 0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.281 -0.830 -0.496 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.460 -0.452 0.782 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.349 0.208 2.934 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.770 -0.821 3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.136 -1.441 3.570 1.00 0.00 H new ATOM 572 N LYS A 40 -6.312 -4.340 1.540 1.00 0.00 N ATOM 573 CA LYS A 40 -5.365 -5.237 2.191 1.00 0.00 C ATOM 574 C LYS A 40 -3.958 -5.036 1.638 1.00 0.00 C ATOM 575 O LYS A 40 -3.743 -5.091 0.427 1.00 0.00 O ATOM 576 CB LYS A 40 -5.796 -6.693 2.000 1.00 0.00 C ATOM 577 CG LYS A 40 -7.018 -7.077 2.818 1.00 0.00 C ATOM 578 CD LYS A 40 -7.783 -8.220 2.173 1.00 0.00 C ATOM 579 CE LYS A 40 -8.842 -7.707 1.209 1.00 0.00 C ATOM 580 NZ LYS A 40 -9.927 -6.972 1.916 1.00 0.00 N ATOM 0 H LYS A 40 -6.185 -4.253 0.532 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.355 -5.004 3.256 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.007 -6.866 0.945 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.967 -7.347 2.271 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.709 -7.366 3.822 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.673 -6.212 2.923 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.088 -8.869 1.640 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.256 -8.825 2.946 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.377 -7.049 0.475 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.270 -8.546 0.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.829 -7.473 1.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.706 -6.918 2.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.005 -6.010 1.527 1.00 0.00 H new ATOM 594 N TRP A 41 -3.003 -4.805 2.532 1.00 0.00 N ATOM 595 CA TRP A 41 -1.616 -4.598 2.133 1.00 0.00 C ATOM 596 C TRP A 41 -0.801 -5.874 2.314 1.00 0.00 C ATOM 597 O TRP A 41 -0.914 -6.554 3.334 1.00 0.00 O ATOM 598 CB TRP A 41 -0.994 -3.461 2.945 1.00 0.00 C ATOM 599 CG TRP A 41 -1.672 -2.141 2.736 1.00 0.00 C ATOM 600 CD1 TRP A 41 -2.877 -1.749 3.244 1.00 0.00 C ATOM 601 CD2 TRP A 41 -1.184 -1.041 1.960 1.00 0.00 C ATOM 602 NE1 TRP A 41 -3.168 -0.471 2.831 1.00 0.00 N ATOM 603 CE2 TRP A 41 -2.145 -0.014 2.043 1.00 0.00 C ATOM 604 CE3 TRP A 41 -0.028 -0.822 1.206 1.00 0.00 C ATOM 605 CZ2 TRP A 41 -1.984 1.209 1.399 1.00 0.00 C ATOM 606 CZ3 TRP A 41 0.130 0.392 0.566 1.00 0.00 C ATOM 607 CH2 TRP A 41 -0.843 1.396 0.667 1.00 0.00 C ATOM 0 H TRP A 41 -3.164 -4.756 3.538 1.00 0.00 H new ATOM 0 HA TRP A 41 -1.604 -4.329 1.077 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -1.032 -3.717 4.004 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.059 -3.367 2.678 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.509 -2.354 3.877 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -4.010 0.053 3.072 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.729 -1.588 1.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.733 1.983 1.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.018 0.571 -0.022 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.689 2.336 0.157 1.00 0.00 H new ATOM 618 N TYR A 42 0.020 -6.193 1.319 1.00 0.00 N ATOM 619 CA TYR A 42 0.852 -7.389 1.369 1.00 0.00 C ATOM 620 C TYR A 42 2.271 -7.086 0.897 1.00 0.00 C ATOM 621 O TYR A 42 2.487 -6.200 0.069 1.00 0.00 O ATOM 622 CB TYR A 42 0.242 -8.496 0.507 1.00 0.00 C ATOM 623 CG TYR A 42 -1.132 -8.932 0.965 1.00 0.00 C ATOM 624 CD1 TYR A 42 -1.283 -9.954 1.895 1.00 0.00 C ATOM 625 CD2 TYR A 42 -2.277 -8.324 0.467 1.00 0.00 C ATOM 626 CE1 TYR A 42 -2.536 -10.356 2.315 1.00 0.00 C ATOM 627 CE2 TYR A 42 -3.534 -8.719 0.883 1.00 0.00 C ATOM 628 CZ TYR A 42 -3.658 -9.736 1.807 1.00 0.00 C ATOM 629 OH TYR A 42 -4.909 -10.133 2.222 1.00 0.00 O ATOM 0 H TYR A 42 0.127 -5.640 0.469 1.00 0.00 H new ATOM 0 HA TYR A 42 0.897 -7.726 2.405 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.179 -8.149 -0.524 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.908 -9.358 0.513 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.407 -10.442 2.296 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -2.183 -7.529 -0.258 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.636 -11.152 3.038 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.414 -8.234 0.487 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.858 -10.467 3.142 1.00 0.00 H new ATOM 639 N LYS A 43 3.236 -7.828 1.430 1.00 0.00 N ATOM 640 CA LYS A 43 4.635 -7.642 1.064 1.00 0.00 C ATOM 641 C LYS A 43 5.306 -8.982 0.782 1.00 0.00 C ATOM 642 O LYS A 43 5.606 -9.742 1.701 1.00 0.00 O ATOM 643 CB LYS A 43 5.382 -6.910 2.181 1.00 0.00 C ATOM 644 CG LYS A 43 6.886 -6.860 1.975 1.00 0.00 C ATOM 645 CD LYS A 43 7.551 -5.902 2.949 1.00 0.00 C ATOM 646 CE LYS A 43 9.043 -6.174 3.068 1.00 0.00 C ATOM 647 NZ LYS A 43 9.343 -7.162 4.141 1.00 0.00 N ATOM 0 H LYS A 43 3.075 -8.564 2.117 1.00 0.00 H new ATOM 0 HA LYS A 43 4.671 -7.040 0.156 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.000 -5.892 2.256 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.170 -7.401 3.131 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.305 -7.858 2.102 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.104 -6.551 0.953 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.393 -4.876 2.617 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.084 -5.996 3.929 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.421 -6.546 2.116 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.567 -5.241 3.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.370 -7.320 4.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.005 -6.796 5.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.864 -8.061 3.929 1.00 0.00 H new ATOM 661 N ASN A 44 5.540 -9.264 -0.496 1.00 0.00 N ATOM 662 CA ASN A 44 6.178 -10.512 -0.899 1.00 0.00 C ATOM 663 C ASN A 44 5.277 -11.706 -0.593 1.00 0.00 C ATOM 664 O ASN A 44 5.746 -12.751 -0.145 1.00 0.00 O ATOM 665 CB ASN A 44 7.521 -10.677 -0.185 1.00 0.00 C ATOM 666 CG ASN A 44 8.343 -11.817 -0.756 1.00 0.00 C ATOM 667 OD1 ASN A 44 7.921 -12.491 -1.695 1.00 0.00 O ATOM 668 ND2 ASN A 44 9.523 -12.036 -0.188 1.00 0.00 N ATOM 0 H ASN A 44 5.297 -8.645 -1.270 1.00 0.00 H new ATOM 0 HA ASN A 44 6.349 -10.473 -1.975 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.088 -9.749 -0.264 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.346 -10.855 0.876 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.121 -12.789 -0.528 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.832 -11.451 0.589 1.00 0.00 H new ATOM 675 N GLY A 45 3.981 -11.541 -0.840 1.00 0.00 N ATOM 676 CA GLY A 45 3.036 -12.612 -0.586 1.00 0.00 C ATOM 677 C GLY A 45 2.863 -12.895 0.894 1.00 0.00 C ATOM 678 O GLY A 45 2.736 -14.049 1.300 1.00 0.00 O ATOM 0 H GLY A 45 3.569 -10.685 -1.211 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.070 -12.350 -1.018 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.375 -13.518 -1.089 1.00 0.00 H new ATOM 682 N GLN A 46 2.860 -11.838 1.700 1.00 0.00 N ATOM 683 CA GLN A 46 2.704 -11.979 3.142 1.00 0.00 C ATOM 684 C GLN A 46 1.929 -10.801 3.724 1.00 0.00 C ATOM 685 O GLN A 46 2.398 -9.664 3.697 1.00 0.00 O ATOM 686 CB GLN A 46 4.073 -12.087 3.817 1.00 0.00 C ATOM 687 CG GLN A 46 4.875 -13.299 3.373 1.00 0.00 C ATOM 688 CD GLN A 46 6.371 -13.083 3.489 1.00 0.00 C ATOM 689 OE1 GLN A 46 6.893 -12.847 4.579 1.00 0.00 O ATOM 690 NE2 GLN A 46 7.070 -13.164 2.363 1.00 0.00 N ATOM 0 H GLN A 46 2.964 -10.876 1.379 1.00 0.00 H new ATOM 0 HA GLN A 46 2.140 -12.892 3.333 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.646 -11.185 3.604 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.934 -12.129 4.897 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.588 -14.160 3.976 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.625 -13.536 2.339 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.596 -13.362 1.482 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.081 -13.029 2.379 1.00 0.00 H new ATOM 699 N GLU A 47 0.740 -11.082 4.248 1.00 0.00 N ATOM 700 CA GLU A 47 -0.100 -10.044 4.835 1.00 0.00 C ATOM 701 C GLU A 47 0.704 -9.171 5.794 1.00 0.00 C ATOM 702 O GLU A 47 1.565 -9.663 6.524 1.00 0.00 O ATOM 703 CB GLU A 47 -1.285 -10.672 5.571 1.00 0.00 C ATOM 704 CG GLU A 47 -2.428 -9.703 5.823 1.00 0.00 C ATOM 705 CD GLU A 47 -3.631 -10.372 6.460 1.00 0.00 C ATOM 706 OE1 GLU A 47 -4.430 -10.985 5.721 1.00 0.00 O ATOM 707 OE2 GLU A 47 -3.772 -10.283 7.697 1.00 0.00 O ATOM 0 H GLU A 47 0.337 -12.019 4.278 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.475 -9.416 4.027 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.657 -11.516 4.990 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.940 -11.070 6.525 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.080 -8.897 6.470 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.728 -9.247 4.879 1.00 0.00 H new ATOM 714 N ILE A 48 0.417 -7.874 5.786 1.00 0.00 N ATOM 715 CA ILE A 48 1.112 -6.933 6.655 1.00 0.00 C ATOM 716 C ILE A 48 0.261 -6.572 7.867 1.00 0.00 C ATOM 717 O ILE A 48 -0.946 -6.358 7.750 1.00 0.00 O ATOM 718 CB ILE A 48 1.486 -5.642 5.902 1.00 0.00 C ATOM 719 CG1 ILE A 48 2.378 -5.966 4.702 1.00 0.00 C ATOM 720 CG2 ILE A 48 2.183 -4.666 6.838 1.00 0.00 C ATOM 721 CD1 ILE A 48 2.558 -4.804 3.751 1.00 0.00 C ATOM 0 H ILE A 48 -0.292 -7.451 5.187 1.00 0.00 H new ATOM 0 HA ILE A 48 2.024 -7.427 6.989 1.00 0.00 H new ATOM 0 HB ILE A 48 0.572 -5.175 5.536 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.356 -6.285 5.062 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.949 -6.807 4.158 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.441 -3.759 6.291 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.517 -4.415 7.664 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.091 -5.124 7.230 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.202 -5.106 2.925 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.587 -4.499 3.362 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.016 -3.968 4.280 1.00 0.00 H new ATOM 733 N ARG A 49 0.898 -6.504 9.032 1.00 0.00 N ATOM 734 CA ARG A 49 0.199 -6.168 10.266 1.00 0.00 C ATOM 735 C ARG A 49 0.494 -4.731 10.684 1.00 0.00 C ATOM 736 O ARG A 49 1.605 -4.225 10.519 1.00 0.00 O ATOM 737 CB ARG A 49 0.606 -7.129 11.385 1.00 0.00 C ATOM 738 CG ARG A 49 2.024 -6.913 11.889 1.00 0.00 C ATOM 739 CD ARG A 49 2.639 -8.208 12.394 1.00 0.00 C ATOM 740 NE ARG A 49 3.733 -7.965 13.331 1.00 0.00 N ATOM 741 CZ ARG A 49 4.694 -8.846 13.584 1.00 0.00 C ATOM 742 NH1 ARG A 49 4.697 -10.022 12.971 1.00 0.00 N ATOM 743 NH2 ARG A 49 5.656 -8.552 14.449 1.00 0.00 N ATOM 0 H ARG A 49 1.897 -6.677 9.147 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.872 -6.263 10.085 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.088 -7.017 12.218 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.510 -8.153 11.025 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.639 -6.506 11.086 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.018 -6.175 12.691 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.871 -8.808 12.881 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.008 -8.788 11.548 1.00 0.00 H new ATOM 0 HE ARG A 49 3.760 -7.069 13.818 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.960 -10.251 12.304 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.436 -10.697 13.167 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.658 -7.648 14.921 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.393 -9.230 14.642 1.00 0.00 H new ATOM 757 N PRO A 50 -0.524 -4.054 11.238 1.00 0.00 N ATOM 758 CA PRO A 50 -0.398 -2.666 11.690 1.00 0.00 C ATOM 759 C PRO A 50 0.488 -2.536 12.924 1.00 0.00 C ATOM 760 O PRO A 50 0.161 -3.053 13.992 1.00 0.00 O ATOM 761 CB PRO A 50 -1.839 -2.270 12.022 1.00 0.00 C ATOM 762 CG PRO A 50 -2.522 -3.555 12.339 1.00 0.00 C ATOM 763 CD PRO A 50 -1.875 -4.594 11.465 1.00 0.00 C ATOM 0 HA PRO A 50 0.070 -2.033 10.937 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.876 -1.583 12.868 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.315 -1.766 11.181 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.410 -3.807 13.393 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.592 -3.488 12.140 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.842 -5.567 11.955 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.418 -4.726 10.529 1.00 0.00 H new ATOM 771 N SER A 51 1.611 -1.841 12.770 1.00 0.00 N ATOM 772 CA SER A 51 2.546 -1.646 13.872 1.00 0.00 C ATOM 773 C SER A 51 3.406 -0.408 13.642 1.00 0.00 C ATOM 774 O SER A 51 3.338 0.223 12.586 1.00 0.00 O ATOM 775 CB SER A 51 3.439 -2.878 14.035 1.00 0.00 C ATOM 776 OG SER A 51 2.665 -4.063 14.104 1.00 0.00 O ATOM 0 H SER A 51 1.895 -1.404 11.893 1.00 0.00 H new ATOM 0 HA SER A 51 1.968 -1.501 14.785 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.133 -2.941 13.197 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.039 -2.779 14.939 1.00 0.00 H new ATOM 0 HG SER A 51 3.259 -4.836 14.206 1.00 0.00 H new ATOM 782 N THR A 52 4.218 -0.065 14.637 1.00 0.00 N ATOM 783 CA THR A 52 5.091 1.098 14.546 1.00 0.00 C ATOM 784 C THR A 52 5.716 1.208 13.160 1.00 0.00 C ATOM 785 O THR A 52 5.892 2.307 12.632 1.00 0.00 O ATOM 786 CB THR A 52 6.213 1.043 15.599 1.00 0.00 C ATOM 787 OG1 THR A 52 5.648 0.987 16.914 1.00 0.00 O ATOM 788 CG2 THR A 52 7.124 2.256 15.485 1.00 0.00 C ATOM 0 H THR A 52 4.289 -0.577 15.516 1.00 0.00 H new ATOM 0 HA THR A 52 4.470 1.974 14.733 1.00 0.00 H new ATOM 0 HB THR A 52 6.805 0.146 15.419 1.00 0.00 H new ATOM 0 HG1 THR A 52 6.368 0.950 17.578 1.00 0.00 H new ATOM 0 HG21 THR A 52 7.908 2.194 16.239 1.00 0.00 H new ATOM 0 HG22 THR A 52 7.575 2.280 14.493 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.542 3.164 15.641 1.00 0.00 H new ATOM 796 N LYS A 53 6.050 0.063 12.574 1.00 0.00 N ATOM 797 CA LYS A 53 6.654 0.030 11.247 1.00 0.00 C ATOM 798 C LYS A 53 5.624 0.358 10.171 1.00 0.00 C ATOM 799 O LYS A 53 5.878 1.169 9.281 1.00 0.00 O ATOM 800 CB LYS A 53 7.267 -1.346 10.978 1.00 0.00 C ATOM 801 CG LYS A 53 8.033 -1.425 9.669 1.00 0.00 C ATOM 802 CD LYS A 53 8.263 -2.866 9.243 1.00 0.00 C ATOM 803 CE LYS A 53 9.205 -2.952 8.053 1.00 0.00 C ATOM 804 NZ LYS A 53 9.726 -4.333 7.856 1.00 0.00 N ATOM 0 H LYS A 53 5.913 -0.855 12.997 1.00 0.00 H new ATOM 0 HA LYS A 53 7.440 0.785 11.214 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.938 -1.602 11.798 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.473 -2.093 10.970 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.481 -0.898 8.891 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.992 -0.919 9.777 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.677 -3.431 10.078 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.309 -3.328 8.987 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.683 -2.629 7.152 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.040 -2.267 8.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.364 -4.349 7.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.246 -4.632 8.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.932 -4.983 7.690 1.00 0.00 H new ATOM 818 N TYR A 54 4.460 -0.276 10.261 1.00 0.00 N ATOM 819 CA TYR A 54 3.391 -0.052 9.294 1.00 0.00 C ATOM 820 C TYR A 54 2.308 0.849 9.879 1.00 0.00 C ATOM 821 O TYR A 54 1.615 0.472 10.824 1.00 0.00 O ATOM 822 CB TYR A 54 2.781 -1.386 8.859 1.00 0.00 C ATOM 823 CG TYR A 54 3.784 -2.343 8.256 1.00 0.00 C ATOM 824 CD1 TYR A 54 4.342 -2.099 7.008 1.00 0.00 C ATOM 825 CD2 TYR A 54 4.172 -3.492 8.934 1.00 0.00 C ATOM 826 CE1 TYR A 54 5.259 -2.971 6.452 1.00 0.00 C ATOM 827 CE2 TYR A 54 5.088 -4.369 8.387 1.00 0.00 C ATOM 828 CZ TYR A 54 5.629 -4.104 7.146 1.00 0.00 C ATOM 829 OH TYR A 54 6.541 -4.976 6.597 1.00 0.00 O ATOM 0 H TYR A 54 4.232 -0.949 10.993 1.00 0.00 H new ATOM 0 HA TYR A 54 3.820 0.445 8.424 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.312 -1.860 9.722 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.991 -1.195 8.132 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.054 -1.212 6.462 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.750 -3.703 9.906 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.683 -2.766 5.480 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.379 -5.257 8.928 1.00 0.00 H new ATOM 0 HH TYR A 54 6.693 -5.722 7.214 1.00 0.00 H new ATOM 839 N ILE A 55 2.170 2.042 9.309 1.00 0.00 N ATOM 840 CA ILE A 55 1.170 2.997 9.772 1.00 0.00 C ATOM 841 C ILE A 55 -0.034 3.029 8.837 1.00 0.00 C ATOM 842 O ILE A 55 0.011 3.643 7.770 1.00 0.00 O ATOM 843 CB ILE A 55 1.758 4.416 9.883 1.00 0.00 C ATOM 844 CG1 ILE A 55 3.160 4.365 10.494 1.00 0.00 C ATOM 845 CG2 ILE A 55 0.844 5.304 10.714 1.00 0.00 C ATOM 846 CD1 ILE A 55 3.165 4.024 11.967 1.00 0.00 C ATOM 0 H ILE A 55 2.737 2.370 8.527 1.00 0.00 H new ATOM 0 HA ILE A 55 0.850 2.666 10.760 1.00 0.00 H new ATOM 0 HB ILE A 55 1.834 4.841 8.882 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.755 3.627 9.956 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.645 5.331 10.351 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.273 6.304 10.784 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.136 5.362 10.240 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.739 4.884 11.714 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.192 4.006 12.333 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.598 4.775 12.516 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.709 3.045 12.115 1.00 0.00 H new ATOM 858 N PHE A 56 -1.110 2.365 9.245 1.00 0.00 N ATOM 859 CA PHE A 56 -2.328 2.318 8.444 1.00 0.00 C ATOM 860 C PHE A 56 -3.250 3.484 8.787 1.00 0.00 C ATOM 861 O PHE A 56 -3.693 3.623 9.927 1.00 0.00 O ATOM 862 CB PHE A 56 -3.059 0.992 8.667 1.00 0.00 C ATOM 863 CG PHE A 56 -2.299 -0.203 8.166 1.00 0.00 C ATOM 864 CD1 PHE A 56 -1.183 -0.665 8.845 1.00 0.00 C ATOM 865 CD2 PHE A 56 -2.701 -0.864 7.017 1.00 0.00 C ATOM 866 CE1 PHE A 56 -0.482 -1.764 8.387 1.00 0.00 C ATOM 867 CE2 PHE A 56 -2.004 -1.964 6.554 1.00 0.00 C ATOM 868 CZ PHE A 56 -0.893 -2.414 7.240 1.00 0.00 C ATOM 0 H PHE A 56 -1.164 1.852 10.125 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.046 2.398 7.394 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.254 0.868 9.732 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.027 1.032 8.168 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.857 -0.160 9.743 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.569 -0.516 6.477 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.386 -2.114 8.925 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.328 -2.471 5.657 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.346 -3.273 6.880 1.00 0.00 H new ATOM 878 N GLU A 57 -3.534 4.319 7.793 1.00 0.00 N ATOM 879 CA GLU A 57 -4.402 5.474 7.990 1.00 0.00 C ATOM 880 C GLU A 57 -5.492 5.524 6.923 1.00 0.00 C ATOM 881 O GLU A 57 -5.339 4.967 5.836 1.00 0.00 O ATOM 882 CB GLU A 57 -3.584 6.767 7.959 1.00 0.00 C ATOM 883 CG GLU A 57 -2.568 6.871 9.084 1.00 0.00 C ATOM 884 CD GLU A 57 -3.132 6.433 10.421 1.00 0.00 C ATOM 885 OE1 GLU A 57 -4.310 6.744 10.699 1.00 0.00 O ATOM 886 OE2 GLU A 57 -2.398 5.778 11.190 1.00 0.00 O ATOM 0 H GLU A 57 -3.176 4.217 6.843 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.877 5.376 8.966 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.064 6.835 7.004 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.263 7.618 8.014 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.699 6.258 8.842 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.220 7.901 9.160 1.00 0.00 H new ATOM 940 N CYS A 61 -11.740 7.739 1.530 1.00 0.00 N ATOM 941 CA CYS A 61 -11.478 6.694 0.547 1.00 0.00 C ATOM 942 C CYS A 61 -10.016 6.709 0.113 1.00 0.00 C ATOM 943 O CYS A 61 -9.706 6.532 -1.064 1.00 0.00 O ATOM 944 CB CYS A 61 -12.385 6.872 -0.672 1.00 0.00 C ATOM 945 SG CYS A 61 -14.152 6.819 -0.290 1.00 0.00 S ATOM 0 HA CYS A 61 -11.691 5.731 1.012 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.155 7.826 -1.147 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.157 6.092 -1.398 1.00 0.00 H new ATOM 0 HG CYS A 61 -14.837 6.981 -1.383 1.00 0.00 H new ATOM 951 N GLN A 62 -9.122 6.923 1.073 1.00 0.00 N ATOM 952 CA GLN A 62 -7.692 6.964 0.790 1.00 0.00 C ATOM 953 C GLN A 62 -6.898 6.281 1.898 1.00 0.00 C ATOM 954 O GLN A 62 -6.743 6.827 2.991 1.00 0.00 O ATOM 955 CB GLN A 62 -7.224 8.411 0.627 1.00 0.00 C ATOM 956 CG GLN A 62 -5.794 8.535 0.125 1.00 0.00 C ATOM 957 CD GLN A 62 -5.247 9.942 0.264 1.00 0.00 C ATOM 958 OE1 GLN A 62 -5.016 10.632 -0.729 1.00 0.00 O ATOM 959 NE2 GLN A 62 -5.037 10.376 1.501 1.00 0.00 N ATOM 0 H GLN A 62 -9.362 7.071 2.053 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.516 6.426 -0.142 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.890 8.923 -0.067 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.309 8.922 1.586 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.157 7.845 0.679 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.753 8.235 -0.922 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.242 9.770 2.296 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.670 11.315 1.657 1.00 0.00 H new ATOM 968 N ARG A 63 -6.396 5.085 1.609 1.00 0.00 N ATOM 969 CA ARG A 63 -5.619 4.327 2.582 1.00 0.00 C ATOM 970 C ARG A 63 -4.128 4.614 2.430 1.00 0.00 C ATOM 971 O ARG A 63 -3.549 4.395 1.366 1.00 0.00 O ATOM 972 CB ARG A 63 -5.879 2.828 2.419 1.00 0.00 C ATOM 973 CG ARG A 63 -7.328 2.432 2.653 1.00 0.00 C ATOM 974 CD ARG A 63 -7.632 2.286 4.136 1.00 0.00 C ATOM 975 NE ARG A 63 -9.067 2.325 4.407 1.00 0.00 N ATOM 976 CZ ARG A 63 -9.610 1.924 5.551 1.00 0.00 C ATOM 977 NH1 ARG A 63 -8.842 1.456 6.525 1.00 0.00 N ATOM 978 NH2 ARG A 63 -10.924 1.991 5.722 1.00 0.00 N ATOM 0 H ARG A 63 -6.514 4.620 0.709 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.932 4.637 3.579 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.586 2.524 1.414 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.244 2.280 3.115 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.987 3.183 2.217 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.536 1.491 2.143 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.220 1.345 4.500 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.137 3.085 4.688 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.686 2.680 3.678 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.831 1.403 6.397 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -9.262 1.149 7.402 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.518 2.351 4.975 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.340 1.683 6.601 1.00 0.00 H new ATOM 992 N ILE A 64 -3.514 5.107 3.501 1.00 0.00 N ATOM 993 CA ILE A 64 -2.092 5.424 3.486 1.00 0.00 C ATOM 994 C ILE A 64 -1.293 4.403 4.288 1.00 0.00 C ATOM 995 O ILE A 64 -1.733 3.943 5.342 1.00 0.00 O ATOM 996 CB ILE A 64 -1.822 6.830 4.054 1.00 0.00 C ATOM 997 CG1 ILE A 64 -2.722 7.862 3.369 1.00 0.00 C ATOM 998 CG2 ILE A 64 -0.357 7.200 3.881 1.00 0.00 C ATOM 999 CD1 ILE A 64 -3.078 9.036 4.254 1.00 0.00 C ATOM 0 H ILE A 64 -3.979 5.295 4.389 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.774 5.395 2.444 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.051 6.825 5.120 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.222 8.231 2.474 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.639 7.372 3.043 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.183 8.196 4.287 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.265 6.478 4.410 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.102 7.191 2.821 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.717 9.726 3.703 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -3.607 8.678 5.138 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.167 9.551 4.560 1.00 0.00 H new ATOM 1011 N LEU A 65 -0.114 4.054 3.784 1.00 0.00 N ATOM 1012 CA LEU A 65 0.749 3.087 4.454 1.00 0.00 C ATOM 1013 C LEU A 65 2.179 3.609 4.550 1.00 0.00 C ATOM 1014 O LEU A 65 2.780 3.992 3.546 1.00 0.00 O ATOM 1015 CB LEU A 65 0.730 1.753 3.707 1.00 0.00 C ATOM 1016 CG LEU A 65 1.480 0.599 4.374 1.00 0.00 C ATOM 1017 CD1 LEU A 65 2.938 0.970 4.600 1.00 0.00 C ATOM 1018 CD2 LEU A 65 0.814 0.220 5.689 1.00 0.00 C ATOM 0 H LEU A 65 0.266 4.426 2.914 1.00 0.00 H new ATOM 0 HA LEU A 65 0.368 2.936 5.464 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.308 1.452 3.567 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.153 1.909 2.715 1.00 0.00 H new ATOM 0 HG LEU A 65 1.445 -0.265 3.710 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.456 0.137 5.075 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.410 1.192 3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.995 1.848 5.244 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.361 -0.603 6.150 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.818 1.079 6.360 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.214 -0.088 5.500 1.00 0.00 H new ATOM 1030 N PHE A 66 2.719 3.620 5.764 1.00 0.00 N ATOM 1031 CA PHE A 66 4.080 4.094 5.991 1.00 0.00 C ATOM 1032 C PHE A 66 4.961 2.974 6.536 1.00 0.00 C ATOM 1033 O PHE A 66 4.590 2.285 7.487 1.00 0.00 O ATOM 1034 CB PHE A 66 4.075 5.275 6.964 1.00 0.00 C ATOM 1035 CG PHE A 66 3.396 6.499 6.418 1.00 0.00 C ATOM 1036 CD1 PHE A 66 4.095 7.404 5.636 1.00 0.00 C ATOM 1037 CD2 PHE A 66 2.060 6.744 6.687 1.00 0.00 C ATOM 1038 CE1 PHE A 66 3.473 8.531 5.133 1.00 0.00 C ATOM 1039 CE2 PHE A 66 1.432 7.869 6.187 1.00 0.00 C ATOM 1040 CZ PHE A 66 2.140 8.763 5.408 1.00 0.00 C ATOM 0 H PHE A 66 2.236 3.306 6.606 1.00 0.00 H new ATOM 0 HA PHE A 66 4.489 4.422 5.035 1.00 0.00 H new ATOM 0 HB2 PHE A 66 3.577 4.974 7.886 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.103 5.525 7.224 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.138 7.227 5.417 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.502 6.047 7.295 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.029 9.230 4.525 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.390 8.049 6.405 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.652 9.642 5.015 1.00 0.00 H new ATOM 1050 N ILE A 67 6.130 2.800 5.928 1.00 0.00 N ATOM 1051 CA ILE A 67 7.064 1.765 6.352 1.00 0.00 C ATOM 1052 C ILE A 67 8.370 2.375 6.852 1.00 0.00 C ATOM 1053 O ILE A 67 9.147 2.926 6.073 1.00 0.00 O ATOM 1054 CB ILE A 67 7.375 0.783 5.207 1.00 0.00 C ATOM 1055 CG1 ILE A 67 6.085 0.141 4.693 1.00 0.00 C ATOM 1056 CG2 ILE A 67 8.354 -0.283 5.675 1.00 0.00 C ATOM 1057 CD1 ILE A 67 6.290 -0.744 3.484 1.00 0.00 C ATOM 0 H ILE A 67 6.452 3.362 5.141 1.00 0.00 H new ATOM 0 HA ILE A 67 6.584 1.221 7.166 1.00 0.00 H new ATOM 0 HB ILE A 67 7.835 1.336 4.388 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.639 -0.449 5.493 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.373 0.927 4.441 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.564 -0.969 4.855 1.00 0.00 H new ATOM 0 HG22 ILE A 67 9.281 0.191 5.998 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.920 -0.835 6.508 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.333 -1.165 3.175 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.708 -0.154 2.668 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.977 -1.552 3.737 1.00 0.00 H new ATOM 1069 N ASN A 68 8.604 2.271 8.156 1.00 0.00 N ATOM 1070 CA ASN A 68 9.817 2.811 8.760 1.00 0.00 C ATOM 1071 C ASN A 68 10.956 1.799 8.690 1.00 0.00 C ATOM 1072 O ASN A 68 10.726 0.591 8.654 1.00 0.00 O ATOM 1073 CB ASN A 68 9.555 3.202 10.216 1.00 0.00 C ATOM 1074 CG ASN A 68 8.814 4.520 10.336 1.00 0.00 C ATOM 1075 OD1 ASN A 68 9.387 5.589 10.126 1.00 0.00 O ATOM 1076 ND2 ASN A 68 7.532 4.448 10.677 1.00 0.00 N ATOM 0 H ASN A 68 7.970 1.818 8.815 1.00 0.00 H new ATOM 0 HA ASN A 68 10.109 3.699 8.199 1.00 0.00 H new ATOM 0 HB2 ASN A 68 8.975 2.417 10.702 1.00 0.00 H new ATOM 0 HB3 ASN A 68 10.504 3.272 10.747 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.981 5.301 10.774 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.098 3.540 10.841 1.00 0.00 H new ATOM 1083 N ASN A 69 12.187 2.302 8.672 1.00 0.00 N ATOM 1084 CA ASN A 69 13.363 1.443 8.607 1.00 0.00 C ATOM 1085 C ASN A 69 13.513 0.830 7.218 1.00 0.00 C ATOM 1086 O ASN A 69 13.668 -0.383 7.076 1.00 0.00 O ATOM 1087 CB ASN A 69 13.269 0.334 9.658 1.00 0.00 C ATOM 1088 CG ASN A 69 14.633 -0.148 10.113 1.00 0.00 C ATOM 1089 OD1 ASN A 69 15.613 0.595 10.068 1.00 0.00 O ATOM 1090 ND2 ASN A 69 14.701 -1.399 10.554 1.00 0.00 N ATOM 0 H ASN A 69 12.395 3.300 8.702 1.00 0.00 H new ATOM 0 HA ASN A 69 14.241 2.056 8.811 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.710 0.700 10.519 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.708 -0.506 9.247 1.00 0.00 H new ATOM 0 HD21 ASN A 69 15.592 -1.780 10.873 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.862 -1.979 10.574 1.00 0.00 H new ATOM 1097 N CYS A 70 13.466 1.678 6.196 1.00 0.00 N ATOM 1098 CA CYS A 70 13.597 1.221 4.817 1.00 0.00 C ATOM 1099 C CYS A 70 15.038 0.829 4.508 1.00 0.00 C ATOM 1100 O CYS A 70 15.915 1.685 4.405 1.00 0.00 O ATOM 1101 CB CYS A 70 13.134 2.312 3.850 1.00 0.00 C ATOM 1102 SG CYS A 70 11.403 2.792 4.053 1.00 0.00 S ATOM 0 H CYS A 70 13.338 2.685 6.296 1.00 0.00 H new ATOM 0 HA CYS A 70 12.966 0.342 4.691 1.00 0.00 H new ATOM 0 HB2 CYS A 70 13.762 3.192 3.985 1.00 0.00 H new ATOM 0 HB3 CYS A 70 13.286 1.965 2.828 1.00 0.00 H new ATOM 0 HG CYS A 70 11.024 2.543 5.271 1.00 0.00 H new ATOM 1108 N GLN A 71 15.274 -0.472 4.365 1.00 0.00 N ATOM 1109 CA GLN A 71 16.610 -0.977 4.071 1.00 0.00 C ATOM 1110 C GLN A 71 16.680 -1.537 2.654 1.00 0.00 C ATOM 1111 O GLN A 71 15.684 -2.021 2.117 1.00 0.00 O ATOM 1112 CB GLN A 71 17.003 -2.058 5.079 1.00 0.00 C ATOM 1113 CG GLN A 71 18.497 -2.336 5.122 1.00 0.00 C ATOM 1114 CD GLN A 71 19.222 -1.474 6.136 1.00 0.00 C ATOM 1115 OE1 GLN A 71 19.654 -1.957 7.183 1.00 0.00 O ATOM 1116 NE2 GLN A 71 19.360 -0.189 5.830 1.00 0.00 N ATOM 0 H GLN A 71 14.558 -1.194 4.448 1.00 0.00 H new ATOM 0 HA GLN A 71 17.311 -0.146 4.149 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.669 -1.756 6.072 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.477 -2.981 4.833 1.00 0.00 H new ATOM 0 HG2 GLN A 71 18.660 -3.387 5.361 1.00 0.00 H new ATOM 0 HG3 GLN A 71 18.923 -2.164 4.134 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.986 0.169 4.951 1.00 0.00 H new ATOM 0 HE22 GLN A 71 19.840 0.440 6.474 1.00 0.00 H new ATOM 1168 N ASP A 75 13.570 -3.582 0.688 1.00 0.00 N ATOM 1169 CA ASP A 75 12.904 -3.252 -0.567 1.00 0.00 C ATOM 1170 C ASP A 75 12.219 -4.481 -1.158 1.00 0.00 C ATOM 1171 O ASP A 75 12.879 -5.437 -1.564 1.00 0.00 O ATOM 1172 CB ASP A 75 13.910 -2.683 -1.569 1.00 0.00 C ATOM 1173 CG ASP A 75 14.547 -3.761 -2.425 1.00 0.00 C ATOM 1174 OD1 ASP A 75 15.145 -4.696 -1.853 1.00 0.00 O ATOM 1175 OD2 ASP A 75 14.448 -3.668 -3.666 1.00 0.00 O ATOM 0 HA ASP A 75 12.144 -2.499 -0.359 1.00 0.00 H new ATOM 0 HB2 ASP A 75 13.408 -1.961 -2.213 1.00 0.00 H new ATOM 0 HB3 ASP A 75 14.689 -2.143 -1.031 1.00 0.00 H new ATOM 1180 N SER A 76 10.891 -4.448 -1.200 1.00 0.00 N ATOM 1181 CA SER A 76 10.115 -5.560 -1.736 1.00 0.00 C ATOM 1182 C SER A 76 8.982 -5.055 -2.624 1.00 0.00 C ATOM 1183 O SER A 76 8.717 -3.855 -2.686 1.00 0.00 O ATOM 1184 CB SER A 76 9.546 -6.409 -0.597 1.00 0.00 C ATOM 1185 OG SER A 76 10.452 -7.431 -0.222 1.00 0.00 O ATOM 0 H SER A 76 10.330 -3.663 -0.869 1.00 0.00 H new ATOM 0 HA SER A 76 10.780 -6.176 -2.341 1.00 0.00 H new ATOM 0 HB2 SER A 76 9.333 -5.774 0.263 1.00 0.00 H new ATOM 0 HB3 SER A 76 8.600 -6.853 -0.907 1.00 0.00 H new ATOM 0 HG SER A 76 10.066 -7.958 0.508 1.00 0.00 H new ATOM 1191 N GLU A 77 8.317 -5.980 -3.309 1.00 0.00 N ATOM 1192 CA GLU A 77 7.213 -5.628 -4.194 1.00 0.00 C ATOM 1193 C GLU A 77 5.883 -5.670 -3.447 1.00 0.00 C ATOM 1194 O GLU A 77 5.373 -6.744 -3.125 1.00 0.00 O ATOM 1195 CB GLU A 77 7.168 -6.579 -5.392 1.00 0.00 C ATOM 1196 CG GLU A 77 6.192 -6.148 -6.474 1.00 0.00 C ATOM 1197 CD GLU A 77 6.448 -6.839 -7.799 1.00 0.00 C ATOM 1198 OE1 GLU A 77 7.417 -6.458 -8.488 1.00 0.00 O ATOM 1199 OE2 GLU A 77 5.680 -7.760 -8.147 1.00 0.00 O ATOM 0 H GLU A 77 8.523 -6.978 -3.268 1.00 0.00 H new ATOM 0 HA GLU A 77 7.377 -4.612 -4.552 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.166 -6.654 -5.824 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.895 -7.575 -5.044 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.175 -6.363 -6.147 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.261 -5.069 -6.612 1.00 0.00 H new ATOM 1206 N TYR A 78 5.326 -4.495 -3.175 1.00 0.00 N ATOM 1207 CA TYR A 78 4.057 -4.397 -2.464 1.00 0.00 C ATOM 1208 C TYR A 78 2.882 -4.477 -3.433 1.00 0.00 C ATOM 1209 O TYR A 78 3.006 -4.131 -4.608 1.00 0.00 O ATOM 1210 CB TYR A 78 3.992 -3.089 -1.674 1.00 0.00 C ATOM 1211 CG TYR A 78 5.147 -2.902 -0.715 1.00 0.00 C ATOM 1212 CD1 TYR A 78 6.402 -2.521 -1.175 1.00 0.00 C ATOM 1213 CD2 TYR A 78 4.984 -3.107 0.649 1.00 0.00 C ATOM 1214 CE1 TYR A 78 7.460 -2.350 -0.304 1.00 0.00 C ATOM 1215 CE2 TYR A 78 6.036 -2.936 1.528 1.00 0.00 C ATOM 1216 CZ TYR A 78 7.272 -2.558 1.047 1.00 0.00 C ATOM 1217 OH TYR A 78 8.323 -2.389 1.919 1.00 0.00 O ATOM 0 H TYR A 78 5.733 -3.597 -3.436 1.00 0.00 H new ATOM 0 HA TYR A 78 3.991 -5.236 -1.772 1.00 0.00 H new ATOM 0 HB2 TYR A 78 3.972 -2.253 -2.373 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.057 -3.059 -1.114 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.552 -2.356 -2.232 1.00 0.00 H new ATOM 0 HD2 TYR A 78 4.018 -3.405 1.029 1.00 0.00 H new ATOM 0 HE1 TYR A 78 8.429 -2.055 -0.678 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.891 -3.097 2.586 1.00 0.00 H new ATOM 0 HH TYR A 78 8.935 -1.710 1.566 1.00 0.00 H new ATOM 1227 N TYR A 79 1.741 -4.937 -2.932 1.00 0.00 N ATOM 1228 CA TYR A 79 0.543 -5.065 -3.752 1.00 0.00 C ATOM 1229 C TYR A 79 -0.712 -5.094 -2.884 1.00 0.00 C ATOM 1230 O TYR A 79 -0.848 -5.937 -1.997 1.00 0.00 O ATOM 1231 CB TYR A 79 0.616 -6.334 -4.604 1.00 0.00 C ATOM 1232 CG TYR A 79 0.282 -7.595 -3.841 1.00 0.00 C ATOM 1233 CD1 TYR A 79 1.262 -8.287 -3.141 1.00 0.00 C ATOM 1234 CD2 TYR A 79 -1.014 -8.095 -3.820 1.00 0.00 C ATOM 1235 CE1 TYR A 79 0.962 -9.441 -2.443 1.00 0.00 C ATOM 1236 CE2 TYR A 79 -1.324 -9.248 -3.124 1.00 0.00 C ATOM 1237 CZ TYR A 79 -0.333 -9.917 -2.437 1.00 0.00 C ATOM 1238 OH TYR A 79 -0.637 -11.065 -1.742 1.00 0.00 O ATOM 0 H TYR A 79 1.621 -5.227 -1.962 1.00 0.00 H new ATOM 0 HA TYR A 79 0.489 -4.196 -4.408 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -0.070 -6.236 -5.446 1.00 0.00 H new ATOM 0 HB3 TYR A 79 1.620 -6.426 -5.019 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.276 -7.916 -3.142 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.793 -7.574 -4.357 1.00 0.00 H new ATOM 0 HE1 TYR A 79 1.737 -9.967 -1.905 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.337 -9.623 -3.118 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.842 -10.839 -0.811 1.00 0.00 H new ATOM 1248 N VAL A 80 -1.627 -4.166 -3.147 1.00 0.00 N ATOM 1249 CA VAL A 80 -2.871 -4.085 -2.392 1.00 0.00 C ATOM 1250 C VAL A 80 -4.039 -4.646 -3.195 1.00 0.00 C ATOM 1251 O VAL A 80 -4.059 -4.563 -4.424 1.00 0.00 O ATOM 1252 CB VAL A 80 -3.190 -2.633 -1.989 1.00 0.00 C ATOM 1253 CG1 VAL A 80 -3.425 -1.776 -3.224 1.00 0.00 C ATOM 1254 CG2 VAL A 80 -4.395 -2.589 -1.063 1.00 0.00 C ATOM 0 H VAL A 80 -1.530 -3.460 -3.877 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.733 -4.682 -1.491 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.333 -2.227 -1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.649 -0.753 -2.920 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.530 -1.782 -3.846 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.264 -2.178 -3.791 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.606 -1.555 -0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.261 -3.013 -1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.184 -3.167 -0.163 1.00 0.00 H new ATOM 1264 N THR A 81 -5.013 -5.217 -2.494 1.00 0.00 N ATOM 1265 CA THR A 81 -6.186 -5.793 -3.141 1.00 0.00 C ATOM 1266 C THR A 81 -7.469 -5.156 -2.620 1.00 0.00 C ATOM 1267 O THR A 81 -7.664 -5.028 -1.412 1.00 0.00 O ATOM 1268 CB THR A 81 -6.256 -7.316 -2.923 1.00 0.00 C ATOM 1269 OG1 THR A 81 -6.450 -7.604 -1.534 1.00 0.00 O ATOM 1270 CG2 THR A 81 -4.985 -7.992 -3.414 1.00 0.00 C ATOM 0 H THR A 81 -5.013 -5.293 -1.477 1.00 0.00 H new ATOM 0 HA THR A 81 -6.091 -5.591 -4.208 1.00 0.00 H new ATOM 0 HB THR A 81 -7.099 -7.704 -3.495 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.495 -8.574 -1.404 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.058 -9.067 -3.250 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.856 -7.796 -4.478 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.129 -7.598 -2.866 1.00 0.00 H new ATOM 1278 N ALA A 82 -8.343 -4.760 -3.540 1.00 0.00 N ATOM 1279 CA ALA A 82 -9.610 -4.139 -3.173 1.00 0.00 C ATOM 1280 C ALA A 82 -10.766 -4.744 -3.962 1.00 0.00 C ATOM 1281 O ALA A 82 -11.006 -4.377 -5.111 1.00 0.00 O ATOM 1282 CB ALA A 82 -9.545 -2.636 -3.397 1.00 0.00 C ATOM 0 H ALA A 82 -8.197 -4.858 -4.545 1.00 0.00 H new ATOM 0 HA ALA A 82 -9.787 -4.330 -2.115 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.498 -2.185 -3.119 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.750 -2.211 -2.785 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.341 -2.433 -4.448 1.00 0.00 H new ATOM 1288 N GLY A 83 -11.481 -5.675 -3.336 1.00 0.00 N ATOM 1289 CA GLY A 83 -12.603 -6.316 -3.995 1.00 0.00 C ATOM 1290 C GLY A 83 -12.164 -7.326 -5.037 1.00 0.00 C ATOM 1291 O GLY A 83 -11.566 -8.350 -4.705 1.00 0.00 O ATOM 0 H GLY A 83 -11.303 -5.996 -2.384 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.222 -6.814 -3.249 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.224 -5.556 -4.469 1.00 0.00 H new ATOM 1295 N ASP A 84 -12.462 -7.040 -6.299 1.00 0.00 N ATOM 1296 CA ASP A 84 -12.094 -7.932 -7.393 1.00 0.00 C ATOM 1297 C ASP A 84 -10.959 -7.338 -8.220 1.00 0.00 C ATOM 1298 O ASP A 84 -10.862 -7.580 -9.422 1.00 0.00 O ATOM 1299 CB ASP A 84 -13.305 -8.203 -8.287 1.00 0.00 C ATOM 1300 CG ASP A 84 -14.570 -8.452 -7.489 1.00 0.00 C ATOM 1301 OD1 ASP A 84 -14.730 -9.575 -6.968 1.00 0.00 O ATOM 1302 OD2 ASP A 84 -15.400 -7.525 -7.387 1.00 0.00 O ATOM 0 H ASP A 84 -12.957 -6.197 -6.590 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.752 -8.873 -6.962 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -13.460 -7.353 -8.952 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -13.101 -9.068 -8.918 1.00 0.00 H new ATOM 1307 N GLU A 85 -10.103 -6.558 -7.567 1.00 0.00 N ATOM 1308 CA GLU A 85 -8.975 -5.928 -8.243 1.00 0.00 C ATOM 1309 C GLU A 85 -7.788 -5.775 -7.296 1.00 0.00 C ATOM 1310 O GLU A 85 -7.902 -6.021 -6.095 1.00 0.00 O ATOM 1311 CB GLU A 85 -9.382 -4.559 -8.794 1.00 0.00 C ATOM 1312 CG GLU A 85 -10.434 -4.632 -9.887 1.00 0.00 C ATOM 1313 CD GLU A 85 -9.894 -5.212 -11.180 1.00 0.00 C ATOM 1314 OE1 GLU A 85 -8.742 -4.890 -11.538 1.00 0.00 O ATOM 1315 OE2 GLU A 85 -10.623 -5.988 -11.832 1.00 0.00 O ATOM 0 H GLU A 85 -10.169 -6.347 -6.571 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.676 -6.571 -9.071 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.761 -3.946 -7.977 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.497 -4.057 -9.186 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.270 -5.241 -9.541 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.825 -3.632 -10.077 1.00 0.00 H new ATOM 1322 N LYS A 86 -6.649 -5.367 -7.845 1.00 0.00 N ATOM 1323 CA LYS A 86 -5.441 -5.180 -7.051 1.00 0.00 C ATOM 1324 C LYS A 86 -4.421 -4.332 -7.804 1.00 0.00 C ATOM 1325 O LYS A 86 -4.569 -4.085 -9.001 1.00 0.00 O ATOM 1326 CB LYS A 86 -4.827 -6.535 -6.691 1.00 0.00 C ATOM 1327 CG LYS A 86 -4.099 -7.199 -7.846 1.00 0.00 C ATOM 1328 CD LYS A 86 -3.086 -8.220 -7.355 1.00 0.00 C ATOM 1329 CE LYS A 86 -3.770 -9.433 -6.743 1.00 0.00 C ATOM 1330 NZ LYS A 86 -4.403 -10.294 -7.780 1.00 0.00 N ATOM 0 H LYS A 86 -6.537 -5.159 -8.837 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.716 -4.658 -6.135 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.131 -6.400 -5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.616 -7.200 -6.339 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.822 -7.688 -8.500 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.592 -6.440 -8.442 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.455 -8.537 -8.186 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.431 -7.758 -6.616 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.040 -10.017 -6.182 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.528 -9.103 -6.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.724 -11.182 -7.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.217 -9.797 -8.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.710 -10.505 -8.526 1.00 0.00 H new ATOM 1344 N CYS A 87 -3.386 -3.892 -7.096 1.00 0.00 N ATOM 1345 CA CYS A 87 -2.341 -3.072 -7.699 1.00 0.00 C ATOM 1346 C CYS A 87 -0.961 -3.657 -7.416 1.00 0.00 C ATOM 1347 O CYS A 87 -0.840 -4.737 -6.839 1.00 0.00 O ATOM 1348 CB CYS A 87 -2.419 -1.639 -7.171 1.00 0.00 C ATOM 1349 SG CYS A 87 -4.100 -1.074 -6.817 1.00 0.00 S ATOM 0 H CYS A 87 -3.248 -4.089 -6.105 1.00 0.00 H new ATOM 0 HA CYS A 87 -2.498 -3.062 -8.778 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -1.823 -1.565 -6.261 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -1.968 -0.968 -7.903 1.00 0.00 H new ATOM 0 HG CYS A 87 -4.798 -2.061 -6.340 1.00 0.00 H new ATOM 1355 N SER A 88 0.077 -2.937 -7.829 1.00 0.00 N ATOM 1356 CA SER A 88 1.449 -3.387 -7.625 1.00 0.00 C ATOM 1357 C SER A 88 2.432 -2.235 -7.813 1.00 0.00 C ATOM 1358 O SER A 88 2.239 -1.371 -8.669 1.00 0.00 O ATOM 1359 CB SER A 88 1.785 -4.522 -8.594 1.00 0.00 C ATOM 1360 OG SER A 88 1.377 -4.205 -9.913 1.00 0.00 O ATOM 0 H SER A 88 -0.006 -2.040 -8.307 1.00 0.00 H new ATOM 0 HA SER A 88 1.537 -3.754 -6.602 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.858 -4.712 -8.578 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.294 -5.439 -8.269 1.00 0.00 H new ATOM 0 HG SER A 88 1.605 -4.946 -10.513 1.00 0.00 H new ATOM 1366 N THR A 89 3.488 -2.229 -7.006 1.00 0.00 N ATOM 1367 CA THR A 89 4.502 -1.184 -7.081 1.00 0.00 C ATOM 1368 C THR A 89 5.875 -1.722 -6.696 1.00 0.00 C ATOM 1369 O THR A 89 5.989 -2.809 -6.131 1.00 0.00 O ATOM 1370 CB THR A 89 4.153 0.004 -6.166 1.00 0.00 C ATOM 1371 OG1 THR A 89 5.115 1.051 -6.334 1.00 0.00 O ATOM 1372 CG2 THR A 89 4.116 -0.428 -4.708 1.00 0.00 C ATOM 0 H THR A 89 3.664 -2.936 -6.292 1.00 0.00 H new ATOM 0 HA THR A 89 4.526 -0.841 -8.115 1.00 0.00 H new ATOM 0 HB THR A 89 3.165 0.371 -6.445 1.00 0.00 H new ATOM 0 HG1 THR A 89 4.912 1.784 -5.716 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.867 0.428 -4.081 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.362 -1.204 -4.578 1.00 0.00 H new ATOM 0 HG23 THR A 89 5.092 -0.818 -4.419 1.00 0.00 H new ATOM 1380 N GLU A 90 6.915 -0.952 -7.004 1.00 0.00 N ATOM 1381 CA GLU A 90 8.281 -1.353 -6.689 1.00 0.00 C ATOM 1382 C GLU A 90 8.945 -0.340 -5.760 1.00 0.00 C ATOM 1383 O GLU A 90 8.929 0.863 -6.023 1.00 0.00 O ATOM 1384 CB GLU A 90 9.102 -1.500 -7.971 1.00 0.00 C ATOM 1385 CG GLU A 90 8.861 -2.811 -8.701 1.00 0.00 C ATOM 1386 CD GLU A 90 9.669 -2.925 -9.979 1.00 0.00 C ATOM 1387 OE1 GLU A 90 9.506 -2.057 -10.862 1.00 0.00 O ATOM 1388 OE2 GLU A 90 10.463 -3.881 -10.097 1.00 0.00 O ATOM 0 H GLU A 90 6.837 -0.048 -7.471 1.00 0.00 H new ATOM 0 HA GLU A 90 8.241 -2.316 -6.180 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.866 -0.673 -8.640 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.161 -1.420 -7.726 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.113 -3.641 -8.041 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.801 -2.901 -8.937 1.00 0.00 H new ATOM 1395 N LEU A 91 9.527 -0.835 -4.674 1.00 0.00 N ATOM 1396 CA LEU A 91 10.196 0.026 -3.705 1.00 0.00 C ATOM 1397 C LEU A 91 11.696 0.085 -3.974 1.00 0.00 C ATOM 1398 O LEU A 91 12.363 -0.947 -4.059 1.00 0.00 O ATOM 1399 CB LEU A 91 9.940 -0.477 -2.283 1.00 0.00 C ATOM 1400 CG LEU A 91 10.430 0.429 -1.153 1.00 0.00 C ATOM 1401 CD1 LEU A 91 11.939 0.322 -0.999 1.00 0.00 C ATOM 1402 CD2 LEU A 91 10.019 1.871 -1.408 1.00 0.00 C ATOM 0 H LEU A 91 9.549 -1.828 -4.442 1.00 0.00 H new ATOM 0 HA LEU A 91 9.788 1.031 -3.806 1.00 0.00 H new ATOM 0 HB2 LEU A 91 8.868 -0.630 -2.160 1.00 0.00 H new ATOM 0 HB3 LEU A 91 10.415 -1.452 -2.173 1.00 0.00 H new ATOM 0 HG LEU A 91 9.966 0.100 -0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.269 0.974 -0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 91 12.209 -0.708 -0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.422 0.624 -1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 91 10.377 2.501 -0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.453 2.212 -2.348 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.932 1.935 -1.466 1.00 0.00 H new ATOM 1414 N PHE A 92 12.222 1.298 -4.104 1.00 0.00 N ATOM 1415 CA PHE A 92 13.644 1.492 -4.362 1.00 0.00 C ATOM 1416 C PHE A 92 14.282 2.353 -3.276 1.00 0.00 C ATOM 1417 O PHE A 92 14.274 3.581 -3.357 1.00 0.00 O ATOM 1418 CB PHE A 92 13.852 2.141 -5.732 1.00 0.00 C ATOM 1419 CG PHE A 92 13.523 1.234 -6.882 1.00 0.00 C ATOM 1420 CD1 PHE A 92 14.169 0.016 -7.028 1.00 0.00 C ATOM 1421 CD2 PHE A 92 12.568 1.598 -7.818 1.00 0.00 C ATOM 1422 CE1 PHE A 92 13.868 -0.820 -8.086 1.00 0.00 C ATOM 1423 CE2 PHE A 92 12.263 0.765 -8.878 1.00 0.00 C ATOM 1424 CZ PHE A 92 12.914 -0.446 -9.011 1.00 0.00 C ATOM 0 H PHE A 92 11.685 2.162 -4.035 1.00 0.00 H new ATOM 0 HA PHE A 92 14.125 0.514 -4.354 1.00 0.00 H new ATOM 0 HB2 PHE A 92 13.234 3.037 -5.798 1.00 0.00 H new ATOM 0 HB3 PHE A 92 14.890 2.462 -5.819 1.00 0.00 H new ATOM 0 HD1 PHE A 92 14.916 -0.283 -6.307 1.00 0.00 H new ATOM 0 HD2 PHE A 92 12.056 2.544 -7.718 1.00 0.00 H new ATOM 0 HE1 PHE A 92 14.379 -1.766 -8.189 1.00 0.00 H new ATOM 0 HE2 PHE A 92 11.517 1.060 -9.601 1.00 0.00 H new ATOM 0 HZ PHE A 92 12.677 -1.099 -9.838 1.00 0.00 H new ATOM 1434 N VAL A 93 14.833 1.699 -2.258 1.00 0.00 N ATOM 1435 CA VAL A 93 15.475 2.403 -1.155 1.00 0.00 C ATOM 1436 C VAL A 93 16.977 2.529 -1.384 1.00 0.00 C ATOM 1437 O VAL A 93 17.693 1.529 -1.438 1.00 0.00 O ATOM 1438 CB VAL A 93 15.230 1.688 0.187 1.00 0.00 C ATOM 1439 CG1 VAL A 93 15.539 0.204 0.065 1.00 0.00 C ATOM 1440 CG2 VAL A 93 16.061 2.325 1.290 1.00 0.00 C ATOM 0 H VAL A 93 14.847 0.683 -2.175 1.00 0.00 H new ATOM 0 HA VAL A 93 15.031 3.398 -1.114 1.00 0.00 H new ATOM 0 HB VAL A 93 14.177 1.795 0.449 1.00 0.00 H new ATOM 0 HG11 VAL A 93 15.360 -0.285 1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 93 14.896 -0.240 -0.695 1.00 0.00 H new ATOM 0 HG13 VAL A 93 16.583 0.072 -0.220 1.00 0.00 H new ATOM 0 HG21 VAL A 93 15.875 1.807 2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 93 17.119 2.251 1.038 1.00 0.00 H new ATOM 0 HG23 VAL A 93 15.786 3.375 1.393 1.00 0.00 H new ATOM 1450 N ARG A 94 17.449 3.765 -1.516 1.00 0.00 N ATOM 1451 CA ARG A 94 18.866 4.022 -1.740 1.00 0.00 C ATOM 1452 C ARG A 94 19.685 3.667 -0.502 1.00 0.00 C ATOM 1453 O ARG A 94 19.144 3.198 0.499 1.00 0.00 O ATOM 1454 CB ARG A 94 19.089 5.490 -2.107 1.00 0.00 C ATOM 1455 CG ARG A 94 18.294 5.941 -3.322 1.00 0.00 C ATOM 1456 CD ARG A 94 18.897 5.407 -4.612 1.00 0.00 C ATOM 1457 NE ARG A 94 20.104 6.135 -4.994 1.00 0.00 N ATOM 1458 CZ ARG A 94 20.752 5.935 -6.136 1.00 0.00 C ATOM 1459 NH1 ARG A 94 20.311 5.035 -7.004 1.00 0.00 N ATOM 1460 NH2 ARG A 94 21.844 6.637 -6.412 1.00 0.00 N ATOM 0 H ARG A 94 16.870 4.604 -1.472 1.00 0.00 H new ATOM 0 HA ARG A 94 19.197 3.394 -2.567 1.00 0.00 H new ATOM 0 HB2 ARG A 94 18.820 6.114 -1.255 1.00 0.00 H new ATOM 0 HB3 ARG A 94 20.150 5.651 -2.297 1.00 0.00 H new ATOM 0 HG2 ARG A 94 17.263 5.598 -3.232 1.00 0.00 H new ATOM 0 HG3 ARG A 94 18.266 7.030 -3.356 1.00 0.00 H new ATOM 0 HD2 ARG A 94 19.134 4.350 -4.491 1.00 0.00 H new ATOM 0 HD3 ARG A 94 18.161 5.479 -5.413 1.00 0.00 H new ATOM 0 HE ARG A 94 20.469 6.835 -4.349 1.00 0.00 H new ATOM 0 HH11 ARG A 94 19.472 4.494 -6.796 1.00 0.00 H new ATOM 0 HH12 ARG A 94 20.811 4.884 -7.880 1.00 0.00 H new ATOM 0 HH21 ARG A 94 22.186 7.331 -5.747 1.00 0.00 H new ATOM 0 HH22 ARG A 94 22.341 6.483 -7.289 1.00 0.00 H new