USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 811 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 17 CYS SG : rot -77:sc= -0.286 USER MOD Set 1.2: A 117 MET CE :methyl 142:sc= -1.41 (180deg=-3.61!) USER MOD Set 2.1: A 29 HIS : no HD1:sc= 0.827 K(o=2,f=-6.1!) USER MOD Set 2.2: A 32 TYR OH : rot -47:sc= 1.14 USER MOD Single : A 11 SER OG : rot 166:sc= 0.389 USER MOD Single : A 13 HIS : no HD1:sc= -0.383 X(o=-0.38,f=0.063) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -72:sc= 0.814 USER MOD Single : A 24 MET CE :methyl -132:sc= -0.792 (180deg=-1.09) USER MOD Single : A 26 SER OG : rot 180:sc= -0.0195 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 165:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 55 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00524) USER MOD Single : A 56 HIS : no HD1:sc= -1.11 X(o=-1.1,f=-1.6) USER MOD Single : A 58 MET CE :methyl 152:sc= -0.309 (180deg=-2.33!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0103 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 168:sc= 1.05 (180deg=0.936) USER MOD Single : A 67 MET CE :methyl 138:sc= -2.62! (180deg=-5.81!) USER MOD Single : A 72 TYR OH : rot -84:sc= -1.23 USER MOD Single : A 76 GLN : amide:sc= -0.41 K(o=-0.41,f=-3.6!) USER MOD Single : A 85 MET CE :methyl -131:sc= -0.0209 (180deg=-1.09) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.428 K(o=-0.43,f=-2.5) USER MOD Single : A 89 CYS SG : rot -104:sc= 0.201 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 97 HIS : no HD1:sc= -3.05! C(o=-3.1!,f=-6.7!) USER MOD Single : A 102 MET CE :methyl -122:sc= -1.97 (180deg=-6.65!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -0.023 X(o=-0.023,f=0) USER MOD Single : A 112 MET CE :methyl 157:sc= -0.0963 (180deg=-0.494) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 114 N SER A 11 -3.822 17.884 6.308 1.00 0.00 N ATOM 115 CA SER A 11 -4.596 18.631 5.324 1.00 0.00 C ATOM 116 C SER A 11 -6.082 18.304 5.439 1.00 0.00 C ATOM 117 O SER A 11 -6.456 17.178 5.767 1.00 0.00 O ATOM 118 CB SER A 11 -4.101 18.319 3.911 1.00 0.00 C ATOM 119 OG SER A 11 -4.656 19.218 2.966 1.00 0.00 O ATOM 0 HA SER A 11 -4.460 19.694 5.522 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.013 18.381 3.881 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.369 17.296 3.646 1.00 0.00 H new ATOM 0 HG SER A 11 -4.162 19.152 2.122 1.00 0.00 H new ATOM 125 N GLU A 12 -6.923 19.296 5.166 1.00 0.00 N ATOM 126 CA GLU A 12 -8.368 19.113 5.239 1.00 0.00 C ATOM 127 C GLU A 12 -8.763 17.710 4.789 1.00 0.00 C ATOM 128 O GLU A 12 -9.343 16.940 5.555 1.00 0.00 O ATOM 129 CB GLU A 12 -9.081 20.157 4.376 1.00 0.00 C ATOM 130 CG GLU A 12 -10.493 20.470 4.842 1.00 0.00 C ATOM 131 CD GLU A 12 -11.052 21.727 4.204 1.00 0.00 C ATOM 132 OE1 GLU A 12 -10.390 22.782 4.293 1.00 0.00 O ATOM 133 OE2 GLU A 12 -12.151 21.655 3.616 1.00 0.00 O ATOM 0 H GLU A 12 -6.629 20.234 4.893 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.672 19.241 6.278 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.496 21.076 4.375 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.118 19.801 3.346 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -11.144 19.628 4.608 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.497 20.584 5.926 1.00 0.00 H new ATOM 140 N HIS A 13 -8.444 17.384 3.540 1.00 0.00 N ATOM 141 CA HIS A 13 -8.765 16.073 2.986 1.00 0.00 C ATOM 142 C HIS A 13 -8.027 14.970 3.738 1.00 0.00 C ATOM 143 O HIS A 13 -8.643 14.040 4.260 1.00 0.00 O ATOM 144 CB HIS A 13 -8.407 16.022 1.501 1.00 0.00 C ATOM 145 CG HIS A 13 -9.411 16.698 0.619 1.00 0.00 C ATOM 146 ND1 HIS A 13 -9.060 17.451 -0.482 1.00 0.00 N ATOM 147 CD2 HIS A 13 -10.763 16.730 0.679 1.00 0.00 C ATOM 148 CE1 HIS A 13 -10.153 17.918 -1.059 1.00 0.00 C ATOM 149 NE2 HIS A 13 -11.200 17.494 -0.375 1.00 0.00 N ATOM 0 H HIS A 13 -7.964 18.009 2.893 1.00 0.00 H new ATOM 0 HA HIS A 13 -9.837 15.911 3.099 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -7.433 16.490 1.354 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -8.310 14.980 1.195 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -11.383 16.245 1.418 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -10.185 18.541 -1.941 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -12.175 17.700 -0.594 1.00 0.00 H new ATOM 157 N LEU A 14 -6.704 15.079 3.789 1.00 0.00 N ATOM 158 CA LEU A 14 -5.880 14.091 4.477 1.00 0.00 C ATOM 159 C LEU A 14 -6.563 13.605 5.751 1.00 0.00 C ATOM 160 O LEU A 14 -6.676 12.402 5.987 1.00 0.00 O ATOM 161 CB LEU A 14 -4.511 14.683 4.812 1.00 0.00 C ATOM 162 CG LEU A 14 -3.423 14.502 3.754 1.00 0.00 C ATOM 163 CD1 LEU A 14 -2.168 15.269 4.140 1.00 0.00 C ATOM 164 CD2 LEU A 14 -3.109 13.025 3.560 1.00 0.00 C ATOM 0 H LEU A 14 -6.179 15.842 3.362 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.746 13.239 3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.635 15.750 4.998 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.162 14.236 5.743 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.792 14.903 2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.405 15.128 3.374 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.402 16.330 4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.796 14.900 5.096 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.332 12.914 2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.761 12.600 4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.008 12.501 3.236 1.00 0.00 H new ATOM 176 N ARG A 15 -7.019 14.548 6.569 1.00 0.00 N ATOM 177 CA ARG A 15 -7.692 14.217 7.819 1.00 0.00 C ATOM 178 C ARG A 15 -8.546 12.962 7.660 1.00 0.00 C ATOM 179 O ARG A 15 -8.337 11.965 8.352 1.00 0.00 O ATOM 180 CB ARG A 15 -8.565 15.386 8.279 1.00 0.00 C ATOM 181 CG ARG A 15 -7.772 16.624 8.662 1.00 0.00 C ATOM 182 CD ARG A 15 -8.637 17.633 9.400 1.00 0.00 C ATOM 183 NE ARG A 15 -9.761 18.090 8.587 1.00 0.00 N ATOM 184 CZ ARG A 15 -10.884 18.584 9.096 1.00 0.00 C ATOM 185 NH1 ARG A 15 -11.032 18.685 10.409 1.00 0.00 N ATOM 186 NH2 ARG A 15 -11.862 18.979 8.290 1.00 0.00 N ATOM 0 H ARG A 15 -6.934 15.548 6.388 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.929 14.024 8.573 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.262 15.644 7.482 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.162 15.068 9.134 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.929 16.337 9.290 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.359 17.085 7.765 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.014 17.184 10.319 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.028 18.489 9.690 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.679 18.026 7.572 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.282 18.383 11.031 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -11.895 19.065 10.797 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.751 18.903 7.279 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.724 19.358 8.682 1.00 0.00 H new ATOM 200 N TYR A 16 -9.507 13.019 6.746 1.00 0.00 N ATOM 201 CA TYR A 16 -10.395 11.889 6.498 1.00 0.00 C ATOM 202 C TYR A 16 -9.616 10.692 5.962 1.00 0.00 C ATOM 203 O TYR A 16 -9.799 9.562 6.418 1.00 0.00 O ATOM 204 CB TYR A 16 -11.492 12.282 5.508 1.00 0.00 C ATOM 205 CG TYR A 16 -12.286 11.106 4.985 1.00 0.00 C ATOM 206 CD1 TYR A 16 -11.748 10.248 4.034 1.00 0.00 C ATOM 207 CD2 TYR A 16 -13.573 10.853 5.442 1.00 0.00 C ATOM 208 CE1 TYR A 16 -12.470 9.173 3.553 1.00 0.00 C ATOM 209 CE2 TYR A 16 -14.302 9.780 4.967 1.00 0.00 C ATOM 210 CZ TYR A 16 -13.746 8.943 4.023 1.00 0.00 C ATOM 211 OH TYR A 16 -14.468 7.872 3.547 1.00 0.00 O ATOM 0 H TYR A 16 -9.692 13.836 6.164 1.00 0.00 H new ATOM 0 HA TYR A 16 -10.855 11.607 7.445 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -12.172 12.983 5.992 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -11.039 12.807 4.667 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.749 10.424 3.665 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -14.011 11.507 6.182 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -12.038 8.516 2.813 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -15.302 9.598 5.333 1.00 0.00 H new ATOM 0 HH TYR A 16 -15.347 7.851 3.981 1.00 0.00 H new ATOM 221 N CYS A 17 -8.746 10.947 4.991 1.00 0.00 N ATOM 222 CA CYS A 17 -7.938 9.892 4.391 1.00 0.00 C ATOM 223 C CYS A 17 -7.256 9.052 5.466 1.00 0.00 C ATOM 224 O CYS A 17 -7.150 7.831 5.340 1.00 0.00 O ATOM 225 CB CYS A 17 -6.889 10.494 3.455 1.00 0.00 C ATOM 226 SG CYS A 17 -7.552 11.067 1.874 1.00 0.00 S ATOM 0 H CYS A 17 -8.582 11.876 4.602 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.599 9.245 3.815 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.406 11.331 3.959 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.117 9.748 3.264 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.755 10.047 1.094 1.00 0.00 H new ATOM 232 N ASP A 18 -6.793 9.713 6.521 1.00 0.00 N ATOM 233 CA ASP A 18 -6.120 9.027 7.618 1.00 0.00 C ATOM 234 C ASP A 18 -6.904 7.792 8.049 1.00 0.00 C ATOM 235 O ASP A 18 -6.324 6.745 8.335 1.00 0.00 O ATOM 236 CB ASP A 18 -5.942 9.974 8.806 1.00 0.00 C ATOM 237 CG ASP A 18 -5.444 9.258 10.046 1.00 0.00 C ATOM 238 OD1 ASP A 18 -4.213 9.087 10.179 1.00 0.00 O ATOM 239 OD2 ASP A 18 -6.284 8.870 10.885 1.00 0.00 O ATOM 0 H ASP A 18 -6.871 10.723 6.640 1.00 0.00 H new ATOM 0 HA ASP A 18 -5.139 8.708 7.267 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.238 10.762 8.537 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.893 10.458 9.027 1.00 0.00 H new ATOM 244 N SER A 19 -8.226 7.922 8.094 1.00 0.00 N ATOM 245 CA SER A 19 -9.090 6.818 8.496 1.00 0.00 C ATOM 246 C SER A 19 -8.994 5.664 7.501 1.00 0.00 C ATOM 247 O SER A 19 -8.880 4.502 7.891 1.00 0.00 O ATOM 248 CB SER A 19 -10.540 7.291 8.607 1.00 0.00 C ATOM 249 OG SER A 19 -11.163 7.331 7.334 1.00 0.00 O ATOM 0 H SER A 19 -8.722 8.781 7.857 1.00 0.00 H new ATOM 0 HA SER A 19 -8.756 6.464 9.471 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.094 6.622 9.266 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.569 8.282 9.061 1.00 0.00 H new ATOM 0 HG SER A 19 -10.797 8.077 6.814 1.00 0.00 H new ATOM 255 N ILE A 20 -9.042 5.995 6.215 1.00 0.00 N ATOM 256 CA ILE A 20 -8.960 4.988 5.165 1.00 0.00 C ATOM 257 C ILE A 20 -7.903 3.938 5.491 1.00 0.00 C ATOM 258 O ILE A 20 -8.073 2.756 5.190 1.00 0.00 O ATOM 259 CB ILE A 20 -8.631 5.623 3.800 1.00 0.00 C ATOM 260 CG1 ILE A 20 -9.638 6.727 3.472 1.00 0.00 C ATOM 261 CG2 ILE A 20 -8.626 4.563 2.710 1.00 0.00 C ATOM 262 CD1 ILE A 20 -9.458 7.318 2.091 1.00 0.00 C ATOM 0 H ILE A 20 -9.137 6.952 5.876 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.938 4.511 5.109 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.637 6.067 3.852 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -10.647 6.324 3.557 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.548 7.521 4.213 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.392 5.027 1.752 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.875 3.808 2.940 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.608 4.093 2.655 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -10.206 8.094 1.927 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.461 7.751 2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -9.577 6.535 1.342 1.00 0.00 H new ATOM 274 N LEU A 21 -6.813 4.376 6.111 1.00 0.00 N ATOM 275 CA LEU A 21 -5.729 3.474 6.481 1.00 0.00 C ATOM 276 C LEU A 21 -6.047 2.745 7.782 1.00 0.00 C ATOM 277 O LEU A 21 -5.897 1.526 7.876 1.00 0.00 O ATOM 278 CB LEU A 21 -4.419 4.251 6.626 1.00 0.00 C ATOM 279 CG LEU A 21 -3.294 3.536 7.375 1.00 0.00 C ATOM 280 CD1 LEU A 21 -2.781 2.354 6.566 1.00 0.00 C ATOM 281 CD2 LEU A 21 -2.161 4.504 7.685 1.00 0.00 C ATOM 0 H LEU A 21 -6.657 5.351 6.368 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.620 2.734 5.688 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.059 4.507 5.629 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.631 5.189 7.139 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.692 3.160 8.317 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.981 1.857 7.115 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.595 1.650 6.395 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.399 2.707 5.608 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.369 3.978 8.218 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.764 4.910 6.754 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.537 5.318 8.305 1.00 0.00 H new ATOM 293 N ARG A 22 -6.489 3.498 8.784 1.00 0.00 N ATOM 294 CA ARG A 22 -6.830 2.923 10.079 1.00 0.00 C ATOM 295 C ARG A 22 -7.910 1.855 9.933 1.00 0.00 C ATOM 296 O ARG A 22 -8.030 0.962 10.771 1.00 0.00 O ATOM 297 CB ARG A 22 -7.307 4.017 11.037 1.00 0.00 C ATOM 298 CG ARG A 22 -8.812 4.226 11.023 1.00 0.00 C ATOM 299 CD ARG A 22 -9.517 3.264 11.965 1.00 0.00 C ATOM 300 NE ARG A 22 -10.748 3.832 12.507 1.00 0.00 N ATOM 301 CZ ARG A 22 -11.836 4.060 11.779 1.00 0.00 C ATOM 302 NH1 ARG A 22 -11.844 3.769 10.486 1.00 0.00 N ATOM 303 NH2 ARG A 22 -12.918 4.580 12.345 1.00 0.00 N ATOM 0 H ARG A 22 -6.619 4.508 8.723 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.934 2.456 10.488 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.994 3.763 12.050 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.816 4.955 10.777 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.041 5.252 11.311 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.190 4.088 10.010 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.747 2.340 11.434 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.847 3.003 12.784 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.774 4.067 13.499 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.014 3.369 10.048 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.680 3.945 9.929 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -12.915 4.805 13.340 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.753 4.755 11.785 1.00 0.00 H new ATOM 317 N GLU A 23 -8.693 1.955 8.864 1.00 0.00 N ATOM 318 CA GLU A 23 -9.764 0.998 8.610 1.00 0.00 C ATOM 319 C GLU A 23 -9.211 -0.285 7.996 1.00 0.00 C ATOM 320 O GLU A 23 -9.524 -1.387 8.447 1.00 0.00 O ATOM 321 CB GLU A 23 -10.815 1.609 7.681 1.00 0.00 C ATOM 322 CG GLU A 23 -11.581 0.580 6.867 1.00 0.00 C ATOM 323 CD GLU A 23 -12.986 1.035 6.525 1.00 0.00 C ATOM 324 OE1 GLU A 23 -13.143 1.794 5.547 1.00 0.00 O ATOM 325 OE2 GLU A 23 -13.930 0.630 7.237 1.00 0.00 O ATOM 0 H GLU A 23 -8.606 2.688 8.160 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.232 0.753 9.564 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.521 2.188 8.276 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.325 2.306 7.001 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.036 0.372 5.946 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.632 -0.355 7.425 1.00 0.00 H new ATOM 332 N MET A 24 -8.388 -0.134 6.963 1.00 0.00 N ATOM 333 CA MET A 24 -7.792 -1.280 6.287 1.00 0.00 C ATOM 334 C MET A 24 -6.995 -2.135 7.267 1.00 0.00 C ATOM 335 O MET A 24 -6.892 -3.351 7.104 1.00 0.00 O ATOM 336 CB MET A 24 -6.886 -0.812 5.147 1.00 0.00 C ATOM 337 CG MET A 24 -7.647 -0.239 3.962 1.00 0.00 C ATOM 338 SD MET A 24 -6.669 -0.229 2.447 1.00 0.00 S ATOM 339 CE MET A 24 -5.255 0.743 2.963 1.00 0.00 C ATOM 0 H MET A 24 -8.119 0.771 6.576 1.00 0.00 H new ATOM 0 HA MET A 24 -8.598 -1.887 5.875 1.00 0.00 H new ATOM 0 HB2 MET A 24 -6.199 -0.056 5.527 1.00 0.00 H new ATOM 0 HB3 MET A 24 -6.280 -1.652 4.807 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.553 -0.823 3.801 1.00 0.00 H new ATOM 0 HG3 MET A 24 -7.960 0.779 4.194 1.00 0.00 H new ATOM 0 HE1 MET A 24 -5.048 1.510 2.216 1.00 0.00 H new ATOM 0 HE2 MET A 24 -5.470 1.218 3.920 1.00 0.00 H new ATOM 0 HE3 MET A 24 -4.386 0.094 3.067 1.00 0.00 H new ATOM 349 N LEU A 25 -6.432 -1.492 8.284 1.00 0.00 N ATOM 350 CA LEU A 25 -5.643 -2.193 9.291 1.00 0.00 C ATOM 351 C LEU A 25 -6.538 -2.746 10.396 1.00 0.00 C ATOM 352 O LEU A 25 -6.176 -2.722 11.572 1.00 0.00 O ATOM 353 CB LEU A 25 -4.594 -1.255 9.891 1.00 0.00 C ATOM 354 CG LEU A 25 -3.238 -1.226 9.185 1.00 0.00 C ATOM 355 CD1 LEU A 25 -2.448 0.007 9.597 1.00 0.00 C ATOM 356 CD2 LEU A 25 -2.451 -2.492 9.488 1.00 0.00 C ATOM 0 H LEU A 25 -6.507 -0.486 8.433 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.139 -3.028 8.804 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.000 -0.244 9.896 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.434 -1.539 10.931 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.411 -1.179 8.110 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.486 0.011 9.085 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.006 0.904 9.327 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.285 -0.009 10.675 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.489 -2.453 8.977 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.288 -2.571 10.563 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.011 -3.360 9.141 1.00 0.00 H new ATOM 368 N SER A 26 -7.708 -3.246 10.008 1.00 0.00 N ATOM 369 CA SER A 26 -8.655 -3.804 10.966 1.00 0.00 C ATOM 370 C SER A 26 -8.605 -5.329 10.954 1.00 0.00 C ATOM 371 O SER A 26 -8.248 -5.943 9.948 1.00 0.00 O ATOM 372 CB SER A 26 -10.074 -3.326 10.649 1.00 0.00 C ATOM 373 OG SER A 26 -11.032 -4.023 11.426 1.00 0.00 O ATOM 0 H SER A 26 -8.022 -3.276 9.038 1.00 0.00 H new ATOM 0 HA SER A 26 -8.376 -3.457 11.961 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.153 -2.256 10.843 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.283 -3.474 9.590 1.00 0.00 H new ATOM 0 HG SER A 26 -11.930 -3.698 11.206 1.00 0.00 H new ATOM 379 N LYS A 27 -8.966 -5.935 12.080 1.00 0.00 N ATOM 380 CA LYS A 27 -8.964 -7.388 12.202 1.00 0.00 C ATOM 381 C LYS A 27 -9.879 -8.022 11.158 1.00 0.00 C ATOM 382 O LYS A 27 -9.529 -9.028 10.541 1.00 0.00 O ATOM 383 CB LYS A 27 -9.410 -7.803 13.606 1.00 0.00 C ATOM 384 CG LYS A 27 -8.287 -7.790 14.629 1.00 0.00 C ATOM 385 CD LYS A 27 -7.306 -8.926 14.396 1.00 0.00 C ATOM 386 CE LYS A 27 -7.784 -10.217 15.044 1.00 0.00 C ATOM 387 NZ LYS A 27 -6.879 -11.359 14.740 1.00 0.00 N ATOM 0 H LYS A 27 -9.264 -5.442 12.922 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.947 -7.741 12.031 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.202 -7.133 13.940 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.838 -8.804 13.561 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.760 -6.837 14.580 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.706 -7.870 15.632 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.176 -9.082 13.325 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.331 -8.654 14.800 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.846 -10.080 16.124 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.790 -10.448 14.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.239 -12.219 15.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.840 -11.506 13.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.925 -11.150 15.096 1.00 0.00 H new ATOM 401 N LYS A 28 -11.051 -7.427 10.965 1.00 0.00 N ATOM 402 CA LYS A 28 -12.015 -7.931 9.995 1.00 0.00 C ATOM 403 C LYS A 28 -11.374 -8.080 8.618 1.00 0.00 C ATOM 404 O LYS A 28 -11.346 -9.172 8.050 1.00 0.00 O ATOM 405 CB LYS A 28 -13.221 -6.994 9.909 1.00 0.00 C ATOM 406 CG LYS A 28 -14.348 -7.530 9.043 1.00 0.00 C ATOM 407 CD LYS A 28 -15.177 -6.405 8.447 1.00 0.00 C ATOM 408 CE LYS A 28 -16.014 -5.707 9.509 1.00 0.00 C ATOM 409 NZ LYS A 28 -17.321 -6.387 9.720 1.00 0.00 N ATOM 0 H LYS A 28 -11.356 -6.594 11.468 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.349 -8.913 10.329 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.602 -6.812 10.914 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.896 -6.032 9.513 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.933 -8.141 8.242 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.989 -8.179 9.639 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.518 -5.681 7.967 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.830 -6.804 7.671 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.462 -5.682 10.448 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.187 -4.672 9.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.861 -5.881 10.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.859 -6.388 8.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.157 -7.367 10.027 1.00 0.00 H new ATOM 423 N HIS A 29 -10.859 -6.975 8.088 1.00 0.00 N ATOM 424 CA HIS A 29 -10.217 -6.983 6.778 1.00 0.00 C ATOM 425 C HIS A 29 -8.936 -7.811 6.807 1.00 0.00 C ATOM 426 O HIS A 29 -8.553 -8.416 5.806 1.00 0.00 O ATOM 427 CB HIS A 29 -9.905 -5.555 6.331 1.00 0.00 C ATOM 428 CG HIS A 29 -11.113 -4.673 6.257 1.00 0.00 C ATOM 429 ND1 HIS A 29 -12.338 -5.112 5.801 1.00 0.00 N ATOM 430 CD2 HIS A 29 -11.280 -3.371 6.586 1.00 0.00 C ATOM 431 CE1 HIS A 29 -13.206 -4.117 5.852 1.00 0.00 C ATOM 432 NE2 HIS A 29 -12.589 -3.049 6.324 1.00 0.00 N ATOM 0 H HIS A 29 -10.874 -6.063 8.545 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.906 -7.436 6.065 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -9.186 -5.115 7.023 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.427 -5.586 5.352 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -10.524 -2.708 6.981 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.244 -4.168 5.558 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -13.015 -2.134 6.470 1.00 0.00 H new ATOM 440 N ALA A 30 -8.277 -7.834 7.961 1.00 0.00 N ATOM 441 CA ALA A 30 -7.040 -8.588 8.120 1.00 0.00 C ATOM 442 C ALA A 30 -7.065 -9.865 7.287 1.00 0.00 C ATOM 443 O ALA A 30 -6.087 -10.201 6.620 1.00 0.00 O ATOM 444 CB ALA A 30 -6.807 -8.917 9.587 1.00 0.00 C ATOM 0 H ALA A 30 -8.580 -7.339 8.800 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.217 -7.968 7.763 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.880 -9.480 9.691 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.736 -7.993 10.160 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.638 -9.514 9.962 1.00 0.00 H new ATOM 450 N ALA A 31 -8.188 -10.573 7.332 1.00 0.00 N ATOM 451 CA ALA A 31 -8.340 -11.813 6.580 1.00 0.00 C ATOM 452 C ALA A 31 -7.781 -11.671 5.168 1.00 0.00 C ATOM 453 O ALA A 31 -6.992 -12.501 4.716 1.00 0.00 O ATOM 454 CB ALA A 31 -9.804 -12.224 6.530 1.00 0.00 C ATOM 0 H ALA A 31 -9.006 -10.310 7.881 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.772 -12.590 7.091 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.903 -13.151 5.966 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.174 -12.375 7.544 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.386 -11.440 6.045 1.00 0.00 H new ATOM 460 N TYR A 32 -8.194 -10.615 4.477 1.00 0.00 N ATOM 461 CA TYR A 32 -7.736 -10.366 3.115 1.00 0.00 C ATOM 462 C TYR A 32 -6.927 -9.075 3.039 1.00 0.00 C ATOM 463 O TYR A 32 -6.883 -8.417 2.000 1.00 0.00 O ATOM 464 CB TYR A 32 -8.928 -10.292 2.159 1.00 0.00 C ATOM 465 CG TYR A 32 -10.055 -9.419 2.664 1.00 0.00 C ATOM 466 CD1 TYR A 32 -10.037 -8.044 2.469 1.00 0.00 C ATOM 467 CD2 TYR A 32 -11.139 -9.971 3.336 1.00 0.00 C ATOM 468 CE1 TYR A 32 -11.064 -7.243 2.929 1.00 0.00 C ATOM 469 CE2 TYR A 32 -12.172 -9.179 3.798 1.00 0.00 C ATOM 470 CZ TYR A 32 -12.130 -7.815 3.593 1.00 0.00 C ATOM 471 OH TYR A 32 -13.156 -7.022 4.052 1.00 0.00 O ATOM 0 H TYR A 32 -8.845 -9.917 4.837 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.092 -11.194 2.819 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.588 -9.911 1.196 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -9.308 -11.299 1.987 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.205 -7.593 1.948 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.174 -11.038 3.500 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.033 -6.175 2.770 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -13.008 -9.625 4.317 1.00 0.00 H new ATOM 0 HH TYR A 32 -12.785 -6.245 4.519 1.00 0.00 H new ATOM 481 N ALA A 33 -6.289 -8.718 4.149 1.00 0.00 N ATOM 482 CA ALA A 33 -5.479 -7.508 4.209 1.00 0.00 C ATOM 483 C ALA A 33 -4.133 -7.779 4.873 1.00 0.00 C ATOM 484 O ALA A 33 -3.331 -6.866 5.066 1.00 0.00 O ATOM 485 CB ALA A 33 -6.225 -6.410 4.954 1.00 0.00 C ATOM 0 H ALA A 33 -6.318 -9.250 5.019 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.290 -7.177 3.188 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.608 -5.512 4.991 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.158 -6.188 4.436 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.443 -6.743 5.969 1.00 0.00 H new ATOM 491 N TRP A 34 -3.894 -9.039 5.219 1.00 0.00 N ATOM 492 CA TRP A 34 -2.645 -9.430 5.862 1.00 0.00 C ATOM 493 C TRP A 34 -1.532 -9.596 4.834 1.00 0.00 C ATOM 494 O TRP A 34 -0.352 -9.388 5.116 1.00 0.00 O ATOM 495 CB TRP A 34 -2.834 -10.732 6.642 1.00 0.00 C ATOM 496 CG TRP A 34 -3.090 -11.919 5.763 1.00 0.00 C ATOM 497 CD1 TRP A 34 -4.279 -12.569 5.589 1.00 0.00 C ATOM 498 CD2 TRP A 34 -2.136 -12.597 4.939 1.00 0.00 C ATOM 499 NE1 TRP A 34 -4.120 -13.611 4.707 1.00 0.00 N ATOM 500 CE2 TRP A 34 -2.815 -13.648 4.293 1.00 0.00 C ATOM 501 CE3 TRP A 34 -0.774 -12.416 4.682 1.00 0.00 C ATOM 502 CZ2 TRP A 34 -2.177 -14.515 3.409 1.00 0.00 C ATOM 503 CZ3 TRP A 34 -0.142 -13.277 3.805 1.00 0.00 C ATOM 504 CH2 TRP A 34 -0.843 -14.315 3.176 1.00 0.00 C ATOM 0 H TRP A 34 -4.548 -9.806 5.065 1.00 0.00 H new ATOM 0 HA TRP A 34 -2.359 -8.638 6.555 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -1.944 -10.919 7.243 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -3.668 -10.615 7.334 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -5.207 -12.303 6.073 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -4.855 -14.253 4.409 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -0.226 -11.618 5.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -2.715 -15.316 2.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 0.911 -13.148 3.601 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -0.321 -14.970 2.494 1.00 0.00 H new ATOM 515 N PRO A 35 -1.912 -9.981 3.606 1.00 0.00 N ATOM 516 CA PRO A 35 -0.869 -10.151 2.590 1.00 0.00 C ATOM 517 C PRO A 35 0.090 -8.966 2.539 1.00 0.00 C ATOM 518 O PRO A 35 1.201 -9.076 2.020 1.00 0.00 O ATOM 519 CB PRO A 35 -1.660 -10.255 1.284 1.00 0.00 C ATOM 520 CG PRO A 35 -2.997 -10.773 1.691 1.00 0.00 C ATOM 521 CD PRO A 35 -3.255 -10.275 3.080 1.00 0.00 C ATOM 0 HA PRO A 35 -0.239 -11.017 2.793 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.744 -9.285 0.794 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.173 -10.928 0.578 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.770 -10.425 1.006 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -3.014 -11.863 1.663 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.886 -9.386 3.075 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.766 -11.024 3.685 1.00 0.00 H new ATOM 529 N PHE A 36 -0.347 -7.834 3.081 1.00 0.00 N ATOM 530 CA PHE A 36 0.473 -6.628 3.097 1.00 0.00 C ATOM 531 C PHE A 36 1.025 -6.364 4.494 1.00 0.00 C ATOM 532 O PHE A 36 2.107 -5.798 4.650 1.00 0.00 O ATOM 533 CB PHE A 36 -0.344 -5.424 2.622 1.00 0.00 C ATOM 534 CG PHE A 36 -1.023 -5.644 1.301 1.00 0.00 C ATOM 535 CD1 PHE A 36 -2.218 -6.342 1.229 1.00 0.00 C ATOM 536 CD2 PHE A 36 -0.467 -5.152 0.131 1.00 0.00 C ATOM 537 CE1 PHE A 36 -2.844 -6.546 0.014 1.00 0.00 C ATOM 538 CE2 PHE A 36 -1.089 -5.352 -1.087 1.00 0.00 C ATOM 539 CZ PHE A 36 -2.280 -6.049 -1.145 1.00 0.00 C ATOM 0 H PHE A 36 -1.264 -7.727 3.515 1.00 0.00 H new ATOM 0 HA PHE A 36 1.312 -6.780 2.418 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.097 -5.187 3.373 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.313 -4.557 2.544 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.665 -6.731 2.132 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.464 -4.606 0.171 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.774 -7.094 -0.029 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.645 -4.964 -1.992 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.770 -6.205 -2.095 1.00 0.00 H new ATOM 549 N TYR A 37 0.273 -6.776 5.509 1.00 0.00 N ATOM 550 CA TYR A 37 0.684 -6.582 6.894 1.00 0.00 C ATOM 551 C TYR A 37 2.195 -6.738 7.041 1.00 0.00 C ATOM 552 O TYR A 37 2.850 -5.946 7.718 1.00 0.00 O ATOM 553 CB TYR A 37 -0.034 -7.579 7.806 1.00 0.00 C ATOM 554 CG TYR A 37 -1.346 -7.063 8.352 1.00 0.00 C ATOM 555 CD1 TYR A 37 -2.195 -6.295 7.565 1.00 0.00 C ATOM 556 CD2 TYR A 37 -1.736 -7.342 9.656 1.00 0.00 C ATOM 557 CE1 TYR A 37 -3.394 -5.821 8.060 1.00 0.00 C ATOM 558 CE2 TYR A 37 -2.934 -6.873 10.159 1.00 0.00 C ATOM 559 CZ TYR A 37 -3.760 -6.113 9.357 1.00 0.00 C ATOM 560 OH TYR A 37 -4.953 -5.643 9.855 1.00 0.00 O ATOM 0 H TYR A 37 -0.625 -7.247 5.398 1.00 0.00 H new ATOM 0 HA TYR A 37 0.411 -5.569 7.189 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.218 -8.499 7.251 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.621 -7.834 8.639 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.912 -6.065 6.548 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.091 -7.936 10.287 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.042 -5.225 7.434 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.222 -7.100 11.175 1.00 0.00 H new ATOM 0 HH TYR A 37 -5.059 -5.939 10.783 1.00 0.00 H new ATOM 570 N LYS A 38 2.741 -7.766 6.400 1.00 0.00 N ATOM 571 CA LYS A 38 4.175 -8.028 6.456 1.00 0.00 C ATOM 572 C LYS A 38 4.824 -7.792 5.096 1.00 0.00 C ATOM 573 O LYS A 38 4.258 -8.104 4.049 1.00 0.00 O ATOM 574 CB LYS A 38 4.434 -9.465 6.915 1.00 0.00 C ATOM 575 CG LYS A 38 3.909 -9.762 8.309 1.00 0.00 C ATOM 576 CD LYS A 38 3.812 -11.258 8.560 1.00 0.00 C ATOM 577 CE LYS A 38 2.499 -11.826 8.046 1.00 0.00 C ATOM 578 NZ LYS A 38 2.344 -13.266 8.390 1.00 0.00 N ATOM 0 H LYS A 38 2.212 -8.431 5.836 1.00 0.00 H new ATOM 0 HA LYS A 38 4.618 -7.338 7.175 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.971 -10.153 6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.507 -9.657 6.891 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.567 -9.309 9.051 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.927 -9.306 8.434 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.645 -11.764 8.072 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.901 -11.455 9.628 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.669 -11.260 8.469 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.450 -11.704 6.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.436 -13.615 8.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.122 -13.810 7.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.365 -13.380 9.423 1.00 0.00 H new ATOM 592 N PRO A 39 6.042 -7.229 5.111 1.00 0.00 N ATOM 593 CA PRO A 39 6.795 -6.941 3.887 1.00 0.00 C ATOM 594 C PRO A 39 7.282 -8.209 3.194 1.00 0.00 C ATOM 595 O PRO A 39 7.238 -9.298 3.767 1.00 0.00 O ATOM 596 CB PRO A 39 7.983 -6.116 4.387 1.00 0.00 C ATOM 597 CG PRO A 39 8.156 -6.525 5.809 1.00 0.00 C ATOM 598 CD PRO A 39 6.777 -6.831 6.323 1.00 0.00 C ATOM 0 HA PRO A 39 6.184 -6.428 3.144 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.881 -6.321 3.804 1.00 0.00 H new ATOM 0 HB3 PRO A 39 7.786 -5.047 4.304 1.00 0.00 H new ATOM 0 HG2 PRO A 39 8.804 -7.398 5.888 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.621 -5.729 6.390 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.793 -7.630 7.064 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.324 -5.962 6.801 1.00 0.00 H new ATOM 606 N VAL A 40 7.746 -8.061 1.957 1.00 0.00 N ATOM 607 CA VAL A 40 8.243 -9.195 1.186 1.00 0.00 C ATOM 608 C VAL A 40 9.751 -9.351 1.348 1.00 0.00 C ATOM 609 O VAL A 40 10.526 -8.910 0.499 1.00 0.00 O ATOM 610 CB VAL A 40 7.911 -9.045 -0.310 1.00 0.00 C ATOM 611 CG1 VAL A 40 8.499 -10.200 -1.106 1.00 0.00 C ATOM 612 CG2 VAL A 40 6.407 -8.956 -0.516 1.00 0.00 C ATOM 0 H VAL A 40 7.788 -7.167 1.467 1.00 0.00 H new ATOM 0 HA VAL A 40 7.745 -10.084 1.573 1.00 0.00 H new ATOM 0 HB VAL A 40 8.359 -8.120 -0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.254 -10.077 -2.161 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.582 -10.212 -0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.083 -11.140 -0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.191 -8.850 -1.579 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.934 -9.862 -0.138 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.017 -8.092 0.021 1.00 0.00 H new ATOM 622 N ASP A 41 10.161 -9.982 2.443 1.00 0.00 N ATOM 623 CA ASP A 41 11.577 -10.198 2.716 1.00 0.00 C ATOM 624 C ASP A 41 12.197 -11.119 1.670 1.00 0.00 C ATOM 625 O ASP A 41 12.309 -12.326 1.880 1.00 0.00 O ATOM 626 CB ASP A 41 11.763 -10.793 4.113 1.00 0.00 C ATOM 627 CG ASP A 41 13.094 -10.413 4.731 1.00 0.00 C ATOM 628 OD1 ASP A 41 14.136 -10.895 4.239 1.00 0.00 O ATOM 629 OD2 ASP A 41 13.095 -9.634 5.707 1.00 0.00 O ATOM 0 H ASP A 41 9.533 -10.353 3.156 1.00 0.00 H new ATOM 0 HA ASP A 41 12.083 -9.234 2.670 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.955 -10.453 4.760 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.689 -11.879 4.055 1.00 0.00 H new ATOM 634 N ALA A 42 12.599 -10.540 0.543 1.00 0.00 N ATOM 635 CA ALA A 42 13.209 -11.308 -0.535 1.00 0.00 C ATOM 636 C ALA A 42 14.276 -12.256 0.002 1.00 0.00 C ATOM 637 O ALA A 42 14.371 -13.405 -0.428 1.00 0.00 O ATOM 638 CB ALA A 42 13.806 -10.373 -1.576 1.00 0.00 C ATOM 0 H ALA A 42 12.513 -9.542 0.353 1.00 0.00 H new ATOM 0 HA ALA A 42 12.431 -11.909 -1.006 1.00 0.00 H new ATOM 0 HB1 ALA A 42 14.258 -10.960 -2.375 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.021 -9.740 -1.990 1.00 0.00 H new ATOM 0 HB3 ALA A 42 14.567 -9.748 -1.110 1.00 0.00 H new ATOM 751 N TYR A 50 13.485 -10.427 -7.689 1.00 0.00 N ATOM 752 CA TYR A 50 12.269 -9.804 -7.181 1.00 0.00 C ATOM 753 C TYR A 50 12.296 -8.294 -7.402 1.00 0.00 C ATOM 754 O TYR A 50 11.383 -7.726 -8.002 1.00 0.00 O ATOM 755 CB TYR A 50 12.099 -10.109 -5.692 1.00 0.00 C ATOM 756 CG TYR A 50 10.990 -9.318 -5.034 1.00 0.00 C ATOM 757 CD1 TYR A 50 9.688 -9.802 -5.005 1.00 0.00 C ATOM 758 CD2 TYR A 50 11.245 -8.086 -4.443 1.00 0.00 C ATOM 759 CE1 TYR A 50 8.672 -9.083 -4.406 1.00 0.00 C ATOM 760 CE2 TYR A 50 10.235 -7.361 -3.841 1.00 0.00 C ATOM 761 CZ TYR A 50 8.950 -7.863 -3.825 1.00 0.00 C ATOM 762 OH TYR A 50 7.942 -7.143 -3.228 1.00 0.00 O ATOM 0 HA TYR A 50 11.423 -10.218 -7.730 1.00 0.00 H new ATOM 0 HB2 TYR A 50 11.897 -11.173 -5.568 1.00 0.00 H new ATOM 0 HB3 TYR A 50 13.037 -9.900 -5.178 1.00 0.00 H new ATOM 0 HD1 TYR A 50 9.466 -10.757 -5.459 1.00 0.00 H new ATOM 0 HD2 TYR A 50 12.249 -7.689 -4.455 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.665 -9.474 -4.393 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.450 -6.406 -3.385 1.00 0.00 H new ATOM 0 HH TYR A 50 8.330 -6.439 -2.667 1.00 0.00 H new ATOM 772 N HIS A 51 13.352 -7.650 -6.914 1.00 0.00 N ATOM 773 CA HIS A 51 13.500 -6.207 -7.059 1.00 0.00 C ATOM 774 C HIS A 51 13.449 -5.800 -8.528 1.00 0.00 C ATOM 775 O HIS A 51 12.728 -4.873 -8.901 1.00 0.00 O ATOM 776 CB HIS A 51 14.817 -5.743 -6.435 1.00 0.00 C ATOM 777 CG HIS A 51 14.782 -5.679 -4.939 1.00 0.00 C ATOM 778 ND1 HIS A 51 14.030 -4.756 -4.243 1.00 0.00 N ATOM 779 CD2 HIS A 51 15.410 -6.431 -4.006 1.00 0.00 C ATOM 780 CE1 HIS A 51 14.199 -4.942 -2.946 1.00 0.00 C ATOM 781 NE2 HIS A 51 15.032 -5.953 -2.775 1.00 0.00 N ATOM 0 H HIS A 51 14.117 -8.105 -6.415 1.00 0.00 H new ATOM 0 HA HIS A 51 12.671 -5.728 -6.539 1.00 0.00 H new ATOM 0 HB2 HIS A 51 15.614 -6.420 -6.743 1.00 0.00 H new ATOM 0 HB3 HIS A 51 15.068 -4.757 -6.827 1.00 0.00 H new ATOM 0 HD2 HIS A 51 16.083 -7.254 -4.194 1.00 0.00 H new ATOM 0 HE1 HIS A 51 13.735 -4.366 -2.159 1.00 0.00 H new ATOM 0 HE2 HIS A 51 15.344 -6.319 -1.875 1.00 0.00 H new ATOM 789 N ASP A 52 14.217 -6.498 -9.357 1.00 0.00 N ATOM 790 CA ASP A 52 14.259 -6.209 -10.786 1.00 0.00 C ATOM 791 C ASP A 52 12.886 -5.778 -11.294 1.00 0.00 C ATOM 792 O ASP A 52 12.754 -4.749 -11.956 1.00 0.00 O ATOM 793 CB ASP A 52 14.740 -7.436 -11.562 1.00 0.00 C ATOM 794 CG ASP A 52 16.253 -7.536 -11.606 1.00 0.00 C ATOM 795 OD1 ASP A 52 16.903 -6.538 -11.983 1.00 0.00 O ATOM 796 OD2 ASP A 52 16.786 -8.611 -11.263 1.00 0.00 O ATOM 0 H ASP A 52 14.819 -7.268 -9.064 1.00 0.00 H new ATOM 0 HA ASP A 52 14.960 -5.389 -10.945 1.00 0.00 H new ATOM 0 HB2 ASP A 52 14.332 -8.336 -11.102 1.00 0.00 H new ATOM 0 HB3 ASP A 52 14.352 -7.394 -12.580 1.00 0.00 H new ATOM 801 N ILE A 53 11.868 -6.573 -10.980 1.00 0.00 N ATOM 802 CA ILE A 53 10.507 -6.273 -11.404 1.00 0.00 C ATOM 803 C ILE A 53 9.889 -5.181 -10.538 1.00 0.00 C ATOM 804 O ILE A 53 9.313 -4.220 -11.049 1.00 0.00 O ATOM 805 CB ILE A 53 9.611 -7.525 -11.348 1.00 0.00 C ATOM 806 CG1 ILE A 53 10.121 -8.587 -12.324 1.00 0.00 C ATOM 807 CG2 ILE A 53 8.168 -7.158 -11.663 1.00 0.00 C ATOM 808 CD1 ILE A 53 11.127 -9.537 -11.711 1.00 0.00 C ATOM 0 H ILE A 53 11.961 -7.429 -10.434 1.00 0.00 H new ATOM 0 HA ILE A 53 10.568 -5.925 -12.435 1.00 0.00 H new ATOM 0 HB ILE A 53 9.649 -7.937 -10.339 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.274 -9.161 -12.700 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.576 -8.092 -13.182 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.547 -8.053 -11.620 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.810 -6.432 -10.933 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.112 -6.726 -12.662 1.00 0.00 H new ATOM 0 HD11 ILE A 53 11.445 -10.263 -12.460 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.992 -8.974 -11.360 1.00 0.00 H new ATOM 0 HD13 ILE A 53 10.669 -10.059 -10.871 1.00 0.00 H new ATOM 820 N ILE A 54 10.013 -5.334 -9.224 1.00 0.00 N ATOM 821 CA ILE A 54 9.470 -4.359 -8.286 1.00 0.00 C ATOM 822 C ILE A 54 10.456 -3.223 -8.041 1.00 0.00 C ATOM 823 O ILE A 54 11.432 -3.380 -7.307 1.00 0.00 O ATOM 824 CB ILE A 54 9.112 -5.013 -6.938 1.00 0.00 C ATOM 825 CG1 ILE A 54 8.169 -6.198 -7.156 1.00 0.00 C ATOM 826 CG2 ILE A 54 8.481 -3.991 -6.005 1.00 0.00 C ATOM 827 CD1 ILE A 54 6.864 -5.817 -7.819 1.00 0.00 C ATOM 0 H ILE A 54 10.485 -6.124 -8.785 1.00 0.00 H new ATOM 0 HA ILE A 54 8.563 -3.958 -8.738 1.00 0.00 H new ATOM 0 HB ILE A 54 10.027 -5.382 -6.475 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.673 -6.946 -7.768 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.956 -6.664 -6.194 1.00 0.00 H new ATOM 0 HG21 ILE A 54 8.234 -4.468 -5.057 1.00 0.00 H new ATOM 0 HG22 ILE A 54 9.184 -3.176 -5.829 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.573 -3.595 -6.460 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.245 -6.706 -7.942 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.338 -5.092 -7.198 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.067 -5.378 -8.796 1.00 0.00 H new ATOM 839 N LYS A 55 10.194 -2.076 -8.660 1.00 0.00 N ATOM 840 CA LYS A 55 11.057 -0.910 -8.508 1.00 0.00 C ATOM 841 C LYS A 55 11.227 -0.548 -7.036 1.00 0.00 C ATOM 842 O LYS A 55 12.348 -0.419 -6.543 1.00 0.00 O ATOM 843 CB LYS A 55 10.477 0.281 -9.274 1.00 0.00 C ATOM 844 CG LYS A 55 10.788 0.258 -10.760 1.00 0.00 C ATOM 845 CD LYS A 55 10.573 1.621 -11.396 1.00 0.00 C ATOM 846 CE LYS A 55 11.142 1.675 -12.806 1.00 0.00 C ATOM 847 NZ LYS A 55 10.420 0.758 -13.731 1.00 0.00 N ATOM 0 H LYS A 55 9.391 -1.929 -9.272 1.00 0.00 H new ATOM 0 HA LYS A 55 12.036 -1.156 -8.919 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.396 0.298 -9.138 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.867 1.204 -8.844 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.821 -0.056 -10.912 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.155 -0.479 -11.254 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.507 1.846 -11.424 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.045 2.388 -10.782 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.079 2.695 -13.184 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.199 1.408 -12.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.815 0.849 -14.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.529 -0.223 -13.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.410 1.007 -13.748 1.00 0.00 H new ATOM 861 N HIS A 56 10.107 -0.386 -6.337 1.00 0.00 N ATOM 862 CA HIS A 56 10.133 -0.040 -4.921 1.00 0.00 C ATOM 863 C HIS A 56 8.946 -0.659 -4.189 1.00 0.00 C ATOM 864 O HIS A 56 7.791 -0.298 -4.413 1.00 0.00 O ATOM 865 CB HIS A 56 10.121 1.479 -4.744 1.00 0.00 C ATOM 866 CG HIS A 56 11.071 2.195 -5.654 1.00 0.00 C ATOM 867 ND1 HIS A 56 12.438 2.182 -5.475 1.00 0.00 N ATOM 868 CD2 HIS A 56 10.844 2.948 -6.755 1.00 0.00 C ATOM 869 CE1 HIS A 56 13.011 2.897 -6.427 1.00 0.00 C ATOM 870 NE2 HIS A 56 12.065 3.373 -7.217 1.00 0.00 N ATOM 0 H HIS A 56 9.171 -0.489 -6.729 1.00 0.00 H new ATOM 0 HA HIS A 56 11.051 -0.440 -4.492 1.00 0.00 H new ATOM 0 HB2 HIS A 56 9.111 1.849 -4.922 1.00 0.00 H new ATOM 0 HB3 HIS A 56 10.371 1.718 -3.710 1.00 0.00 H new ATOM 0 HD2 HIS A 56 9.881 3.173 -7.190 1.00 0.00 H new ATOM 0 HE1 HIS A 56 14.072 3.064 -6.540 1.00 0.00 H new ATOM 0 HE2 HIS A 56 12.217 3.961 -8.037 1.00 0.00 H new ATOM 878 N PRO A 57 9.236 -1.614 -3.292 1.00 0.00 N ATOM 879 CA PRO A 57 8.206 -2.303 -2.509 1.00 0.00 C ATOM 880 C PRO A 57 7.557 -1.390 -1.474 1.00 0.00 C ATOM 881 O PRO A 57 8.218 -0.534 -0.887 1.00 0.00 O ATOM 882 CB PRO A 57 8.979 -3.429 -1.819 1.00 0.00 C ATOM 883 CG PRO A 57 10.382 -2.935 -1.744 1.00 0.00 C ATOM 884 CD PRO A 57 10.591 -2.093 -2.973 1.00 0.00 C ATOM 0 HA PRO A 57 7.384 -2.653 -3.134 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.578 -3.634 -0.826 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.916 -4.358 -2.386 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.542 -2.350 -0.838 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.087 -3.766 -1.715 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.275 -1.266 -2.782 1.00 0.00 H new ATOM 0 HD3 PRO A 57 11.015 -2.675 -3.792 1.00 0.00 H new ATOM 892 N MET A 58 6.260 -1.580 -1.255 1.00 0.00 N ATOM 893 CA MET A 58 5.522 -0.774 -0.289 1.00 0.00 C ATOM 894 C MET A 58 4.674 -1.657 0.621 1.00 0.00 C ATOM 895 O MET A 58 4.432 -2.826 0.317 1.00 0.00 O ATOM 896 CB MET A 58 4.632 0.239 -1.011 1.00 0.00 C ATOM 897 CG MET A 58 4.169 1.382 -0.123 1.00 0.00 C ATOM 898 SD MET A 58 5.539 2.246 0.668 1.00 0.00 S ATOM 899 CE MET A 58 6.044 3.355 -0.645 1.00 0.00 C ATOM 0 H MET A 58 5.698 -2.285 -1.733 1.00 0.00 H new ATOM 0 HA MET A 58 6.245 -0.237 0.326 1.00 0.00 H new ATOM 0 HB2 MET A 58 5.177 0.648 -1.861 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.759 -0.277 -1.411 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.594 2.090 -0.719 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.499 0.993 0.644 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.493 4.249 -0.213 1.00 0.00 H new ATOM 0 HE2 MET A 58 6.772 2.855 -1.284 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.174 3.636 -1.238 1.00 0.00 H new ATOM 909 N ASP A 59 4.225 -1.092 1.736 1.00 0.00 N ATOM 910 CA ASP A 59 3.403 -1.828 2.689 1.00 0.00 C ATOM 911 C ASP A 59 2.681 -0.873 3.635 1.00 0.00 C ATOM 912 O ASP A 59 3.034 0.303 3.736 1.00 0.00 O ATOM 913 CB ASP A 59 4.265 -2.805 3.491 1.00 0.00 C ATOM 914 CG ASP A 59 5.347 -3.449 2.647 1.00 0.00 C ATOM 915 OD1 ASP A 59 5.068 -4.494 2.021 1.00 0.00 O ATOM 916 OD2 ASP A 59 6.472 -2.909 2.612 1.00 0.00 O ATOM 0 H ASP A 59 4.417 -0.126 2.002 1.00 0.00 H new ATOM 0 HA ASP A 59 2.656 -2.390 2.129 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.726 -2.278 4.326 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.629 -3.582 3.916 1.00 0.00 H new ATOM 921 N LEU A 60 1.669 -1.386 4.325 1.00 0.00 N ATOM 922 CA LEU A 60 0.895 -0.579 5.262 1.00 0.00 C ATOM 923 C LEU A 60 1.812 0.145 6.243 1.00 0.00 C ATOM 924 O LEU A 60 1.837 1.375 6.294 1.00 0.00 O ATOM 925 CB LEU A 60 -0.096 -1.459 6.027 1.00 0.00 C ATOM 926 CG LEU A 60 -1.452 -1.680 5.356 1.00 0.00 C ATOM 927 CD1 LEU A 60 -2.107 -0.349 5.024 1.00 0.00 C ATOM 928 CD2 LEU A 60 -1.295 -2.528 4.102 1.00 0.00 C ATOM 0 H LEU A 60 1.365 -2.357 4.254 1.00 0.00 H new ATOM 0 HA LEU A 60 0.343 0.167 4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.367 -2.431 6.195 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.266 -1.013 7.007 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.098 -2.215 6.053 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.071 -0.527 4.547 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.255 0.222 5.940 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.465 0.213 4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.270 -2.675 3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.632 -2.021 3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.870 -3.496 4.368 1.00 0.00 H new ATOM 940 N SER A 61 2.565 -0.627 7.020 1.00 0.00 N ATOM 941 CA SER A 61 3.483 -0.059 8.001 1.00 0.00 C ATOM 942 C SER A 61 4.120 1.222 7.472 1.00 0.00 C ATOM 943 O SER A 61 3.987 2.290 8.071 1.00 0.00 O ATOM 944 CB SER A 61 4.572 -1.073 8.359 1.00 0.00 C ATOM 945 OG SER A 61 5.086 -0.834 9.658 1.00 0.00 O ATOM 0 H SER A 61 2.558 -1.647 6.990 1.00 0.00 H new ATOM 0 HA SER A 61 2.912 0.183 8.898 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.164 -2.083 8.306 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.380 -1.017 7.629 1.00 0.00 H new ATOM 0 HG SER A 61 5.779 -1.496 9.863 1.00 0.00 H new ATOM 951 N THR A 62 4.815 1.108 6.344 1.00 0.00 N ATOM 952 CA THR A 62 5.474 2.255 5.733 1.00 0.00 C ATOM 953 C THR A 62 4.532 3.451 5.649 1.00 0.00 C ATOM 954 O THR A 62 4.841 4.534 6.147 1.00 0.00 O ATOM 955 CB THR A 62 5.988 1.921 4.320 1.00 0.00 C ATOM 956 OG1 THR A 62 6.635 0.644 4.323 1.00 0.00 O ATOM 957 CG2 THR A 62 6.958 2.986 3.831 1.00 0.00 C ATOM 0 H THR A 62 4.936 0.232 5.835 1.00 0.00 H new ATOM 0 HA THR A 62 6.322 2.508 6.370 1.00 0.00 H new ATOM 0 HB THR A 62 5.133 1.893 3.644 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.957 0.438 3.421 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.307 2.728 2.831 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.453 3.952 3.801 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.809 3.042 4.510 1.00 0.00 H new ATOM 965 N VAL A 63 3.380 3.248 5.018 1.00 0.00 N ATOM 966 CA VAL A 63 2.391 4.309 4.871 1.00 0.00 C ATOM 967 C VAL A 63 1.994 4.882 6.227 1.00 0.00 C ATOM 968 O VAL A 63 2.031 6.094 6.437 1.00 0.00 O ATOM 969 CB VAL A 63 1.128 3.803 4.150 1.00 0.00 C ATOM 970 CG1 VAL A 63 0.037 4.862 4.177 1.00 0.00 C ATOM 971 CG2 VAL A 63 1.456 3.401 2.720 1.00 0.00 C ATOM 0 H VAL A 63 3.109 2.358 4.600 1.00 0.00 H new ATOM 0 HA VAL A 63 2.854 5.092 4.270 1.00 0.00 H new ATOM 0 HB VAL A 63 0.759 2.922 4.676 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.848 4.486 3.663 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.217 5.097 5.211 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.392 5.763 3.677 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.552 3.046 2.225 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.850 4.263 2.181 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.202 2.606 2.727 1.00 0.00 H new ATOM 981 N LYS A 64 1.614 4.001 7.147 1.00 0.00 N ATOM 982 CA LYS A 64 1.211 4.417 8.485 1.00 0.00 C ATOM 983 C LYS A 64 2.285 5.286 9.131 1.00 0.00 C ATOM 984 O LYS A 64 1.988 6.336 9.701 1.00 0.00 O ATOM 985 CB LYS A 64 0.935 3.193 9.360 1.00 0.00 C ATOM 986 CG LYS A 64 0.651 3.535 10.813 1.00 0.00 C ATOM 987 CD LYS A 64 0.734 2.306 11.702 1.00 0.00 C ATOM 988 CE LYS A 64 -0.114 2.466 12.955 1.00 0.00 C ATOM 989 NZ LYS A 64 -0.190 1.203 13.739 1.00 0.00 N ATOM 0 H LYS A 64 1.577 2.994 6.990 1.00 0.00 H new ATOM 0 HA LYS A 64 0.298 5.005 8.396 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.084 2.649 8.951 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.794 2.523 9.314 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.365 4.283 11.158 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.341 3.979 10.896 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.401 1.430 11.145 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.772 2.129 11.984 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.305 3.256 13.579 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.119 2.781 12.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.777 1.354 14.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.613 0.455 13.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.767 0.916 14.028 1.00 0.00 H new ATOM 1003 N ARG A 65 3.535 4.842 9.037 1.00 0.00 N ATOM 1004 CA ARG A 65 4.653 5.580 9.612 1.00 0.00 C ATOM 1005 C ARG A 65 4.686 7.012 9.088 1.00 0.00 C ATOM 1006 O ARG A 65 4.673 7.969 9.862 1.00 0.00 O ATOM 1007 CB ARG A 65 5.974 4.877 9.292 1.00 0.00 C ATOM 1008 CG ARG A 65 6.303 3.737 10.242 1.00 0.00 C ATOM 1009 CD ARG A 65 7.805 3.556 10.396 1.00 0.00 C ATOM 1010 NE ARG A 65 8.395 4.585 11.249 1.00 0.00 N ATOM 1011 CZ ARG A 65 9.676 4.935 11.198 1.00 0.00 C ATOM 1012 NH1 ARG A 65 10.495 4.342 10.341 1.00 0.00 N ATOM 1013 NH2 ARG A 65 10.139 5.880 12.006 1.00 0.00 N ATOM 0 H ARG A 65 3.798 3.975 8.568 1.00 0.00 H new ATOM 0 HA ARG A 65 4.518 5.611 10.693 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.932 4.490 8.274 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.782 5.608 9.322 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.857 3.934 11.217 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.860 2.813 9.870 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.010 2.573 10.819 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.276 3.585 9.414 1.00 0.00 H new ATOM 0 HE ARG A 65 7.791 5.060 11.920 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.143 3.615 9.718 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.478 4.613 10.304 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.512 6.338 12.667 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.122 6.148 11.966 1.00 0.00 H new ATOM 1027 N LYS A 66 4.731 7.152 7.767 1.00 0.00 N ATOM 1028 CA LYS A 66 4.766 8.467 7.138 1.00 0.00 C ATOM 1029 C LYS A 66 3.602 9.330 7.615 1.00 0.00 C ATOM 1030 O LYS A 66 3.804 10.425 8.140 1.00 0.00 O ATOM 1031 CB LYS A 66 4.719 8.327 5.615 1.00 0.00 C ATOM 1032 CG LYS A 66 5.969 7.698 5.023 1.00 0.00 C ATOM 1033 CD LYS A 66 5.738 7.236 3.594 1.00 0.00 C ATOM 1034 CE LYS A 66 5.668 8.412 2.632 1.00 0.00 C ATOM 1035 NZ LYS A 66 5.848 7.983 1.218 1.00 0.00 N ATOM 0 H LYS A 66 4.744 6.371 7.111 1.00 0.00 H new ATOM 0 HA LYS A 66 5.698 8.954 7.424 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.854 7.723 5.341 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.574 9.312 5.172 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.786 8.419 5.045 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.276 6.850 5.635 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.543 6.566 3.293 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.811 6.665 3.540 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.706 8.913 2.740 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.437 9.140 2.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.595 8.766 0.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.841 7.716 1.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.235 7.166 1.022 1.00 0.00 H new ATOM 1049 N MET A 67 2.385 8.829 7.430 1.00 0.00 N ATOM 1050 CA MET A 67 1.190 9.554 7.845 1.00 0.00 C ATOM 1051 C MET A 67 1.232 9.863 9.338 1.00 0.00 C ATOM 1052 O MET A 67 0.758 10.910 9.779 1.00 0.00 O ATOM 1053 CB MET A 67 -0.065 8.743 7.515 1.00 0.00 C ATOM 1054 CG MET A 67 -1.355 9.410 7.964 1.00 0.00 C ATOM 1055 SD MET A 67 -1.545 11.075 7.298 1.00 0.00 S ATOM 1056 CE MET A 67 -2.831 10.807 6.080 1.00 0.00 C ATOM 0 H MET A 67 2.201 7.925 6.996 1.00 0.00 H new ATOM 0 HA MET A 67 1.159 10.496 7.298 1.00 0.00 H new ATOM 0 HB2 MET A 67 -0.107 8.576 6.439 1.00 0.00 H new ATOM 0 HB3 MET A 67 0.011 7.763 7.987 1.00 0.00 H new ATOM 0 HG2 MET A 67 -2.203 8.799 7.653 1.00 0.00 H new ATOM 0 HG3 MET A 67 -1.377 9.454 9.053 1.00 0.00 H new ATOM 0 HE1 MET A 67 -3.547 11.628 6.120 1.00 0.00 H new ATOM 0 HE2 MET A 67 -2.387 10.761 5.086 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.343 9.868 6.292 1.00 0.00 H new ATOM 1066 N ASP A 68 1.801 8.945 10.112 1.00 0.00 N ATOM 1067 CA ASP A 68 1.906 9.120 11.556 1.00 0.00 C ATOM 1068 C ASP A 68 2.536 10.467 11.896 1.00 0.00 C ATOM 1069 O ASP A 68 2.031 11.203 12.742 1.00 0.00 O ATOM 1070 CB ASP A 68 2.730 7.987 12.170 1.00 0.00 C ATOM 1071 CG ASP A 68 2.580 7.913 13.676 1.00 0.00 C ATOM 1072 OD1 ASP A 68 1.534 8.361 14.192 1.00 0.00 O ATOM 1073 OD2 ASP A 68 3.509 7.406 14.340 1.00 0.00 O ATOM 0 H ASP A 68 2.197 8.072 9.763 1.00 0.00 H new ATOM 0 HA ASP A 68 0.900 9.094 11.974 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.422 7.038 11.730 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.781 8.129 11.919 1.00 0.00 H new ATOM 1078 N GLY A 69 3.643 10.782 11.231 1.00 0.00 N ATOM 1079 CA GLY A 69 4.324 12.039 11.477 1.00 0.00 C ATOM 1080 C GLY A 69 3.934 13.115 10.484 1.00 0.00 C ATOM 1081 O GLY A 69 4.747 13.969 10.132 1.00 0.00 O ATOM 0 H GLY A 69 4.080 10.189 10.526 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.095 12.381 12.486 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.401 11.880 11.431 1.00 0.00 H new ATOM 1085 N ARG A 70 2.685 13.073 10.030 1.00 0.00 N ATOM 1086 CA ARG A 70 2.189 14.051 9.069 1.00 0.00 C ATOM 1087 C ARG A 70 3.205 14.280 7.953 1.00 0.00 C ATOM 1088 O ARG A 70 3.466 15.418 7.563 1.00 0.00 O ATOM 1089 CB ARG A 70 1.878 15.375 9.769 1.00 0.00 C ATOM 1090 CG ARG A 70 0.471 15.445 10.342 1.00 0.00 C ATOM 1091 CD ARG A 70 0.254 14.391 11.416 1.00 0.00 C ATOM 1092 NE ARG A 70 -0.790 14.779 12.361 1.00 0.00 N ATOM 1093 CZ ARG A 70 -0.685 15.816 13.185 1.00 0.00 C ATOM 1094 NH1 ARG A 70 0.410 16.564 13.180 1.00 0.00 N ATOM 1095 NH2 ARG A 70 -1.678 16.107 14.016 1.00 0.00 N ATOM 0 H ARG A 70 1.999 12.373 10.312 1.00 0.00 H new ATOM 0 HA ARG A 70 1.273 13.657 8.629 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.597 15.529 10.574 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.014 16.192 9.060 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.297 16.436 10.762 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.256 15.306 9.542 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.016 13.445 10.946 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.187 14.225 11.955 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.645 14.224 12.390 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.175 16.344 12.542 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.487 17.359 13.814 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.522 15.534 14.022 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.597 16.903 14.648 1.00 0.00 H new ATOM 1109 N GLU A 71 3.774 13.192 7.445 1.00 0.00 N ATOM 1110 CA GLU A 71 4.762 13.276 6.376 1.00 0.00 C ATOM 1111 C GLU A 71 4.093 13.586 5.040 1.00 0.00 C ATOM 1112 O GLU A 71 4.633 14.329 4.220 1.00 0.00 O ATOM 1113 CB GLU A 71 5.548 11.967 6.273 1.00 0.00 C ATOM 1114 CG GLU A 71 6.463 11.711 7.459 1.00 0.00 C ATOM 1115 CD GLU A 71 7.455 10.594 7.201 1.00 0.00 C ATOM 1116 OE1 GLU A 71 7.925 10.472 6.051 1.00 0.00 O ATOM 1117 OE2 GLU A 71 7.761 9.842 8.150 1.00 0.00 O ATOM 0 H GLU A 71 3.568 12.243 7.756 1.00 0.00 H new ATOM 0 HA GLU A 71 5.450 14.087 6.615 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.846 11.138 6.181 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.145 11.982 5.361 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.006 12.626 7.698 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.859 11.461 8.331 1.00 0.00 H new ATOM 1124 N TYR A 72 2.915 13.010 4.828 1.00 0.00 N ATOM 1125 CA TYR A 72 2.172 13.222 3.591 1.00 0.00 C ATOM 1126 C TYR A 72 1.639 14.649 3.513 1.00 0.00 C ATOM 1127 O TYR A 72 0.990 15.148 4.433 1.00 0.00 O ATOM 1128 CB TYR A 72 1.015 12.227 3.489 1.00 0.00 C ATOM 1129 CG TYR A 72 1.463 10.797 3.287 1.00 0.00 C ATOM 1130 CD1 TYR A 72 2.038 10.391 2.089 1.00 0.00 C ATOM 1131 CD2 TYR A 72 1.310 9.851 4.294 1.00 0.00 C ATOM 1132 CE1 TYR A 72 2.448 9.085 1.900 1.00 0.00 C ATOM 1133 CE2 TYR A 72 1.718 8.544 4.114 1.00 0.00 C ATOM 1134 CZ TYR A 72 2.286 8.166 2.915 1.00 0.00 C ATOM 1135 OH TYR A 72 2.693 6.864 2.732 1.00 0.00 O ATOM 0 H TYR A 72 2.454 12.393 5.496 1.00 0.00 H new ATOM 0 HA TYR A 72 2.854 13.062 2.756 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.415 12.286 4.397 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.369 12.517 2.660 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.167 11.108 1.292 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.864 10.143 5.233 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.893 8.786 0.962 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.593 7.822 4.907 1.00 0.00 H new ATOM 0 HH TYR A 72 1.987 6.362 2.274 1.00 0.00 H new ATOM 1145 N PRO A 73 1.917 15.324 2.388 1.00 0.00 N ATOM 1146 CA PRO A 73 1.474 16.702 2.161 1.00 0.00 C ATOM 1147 C PRO A 73 -0.035 16.801 1.963 1.00 0.00 C ATOM 1148 O PRO A 73 -0.700 17.627 2.590 1.00 0.00 O ATOM 1149 CB PRO A 73 2.208 17.105 0.879 1.00 0.00 C ATOM 1150 CG PRO A 73 2.470 15.819 0.173 1.00 0.00 C ATOM 1151 CD PRO A 73 2.685 14.792 1.249 1.00 0.00 C ATOM 0 HA PRO A 73 1.692 17.345 3.014 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.602 17.775 0.269 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.137 17.630 1.103 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.629 15.546 -0.465 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.346 15.899 -0.471 1.00 0.00 H new ATOM 0 HD2 PRO A 73 2.324 13.810 0.945 1.00 0.00 H new ATOM 0 HD3 PRO A 73 3.741 14.681 1.493 1.00 0.00 H new ATOM 1159 N ASP A 74 -0.569 15.956 1.089 1.00 0.00 N ATOM 1160 CA ASP A 74 -2.001 15.947 0.811 1.00 0.00 C ATOM 1161 C ASP A 74 -2.471 14.548 0.425 1.00 0.00 C ATOM 1162 O ASP A 74 -1.660 13.657 0.174 1.00 0.00 O ATOM 1163 CB ASP A 74 -2.330 16.936 -0.309 1.00 0.00 C ATOM 1164 CG ASP A 74 -2.156 18.378 0.123 1.00 0.00 C ATOM 1165 OD1 ASP A 74 -0.996 18.819 0.266 1.00 0.00 O ATOM 1166 OD2 ASP A 74 -3.179 19.067 0.317 1.00 0.00 O ATOM 0 H ASP A 74 -0.032 15.268 0.560 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.525 16.249 1.718 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.687 16.737 -1.166 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.357 16.780 -0.638 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.786 14.362 0.382 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.364 13.072 0.027 1.00 0.00 C ATOM 1173 C ALA A 75 -3.590 12.419 -1.114 1.00 0.00 C ATOM 1174 O ALA A 75 -3.358 11.210 -1.106 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.828 13.236 -0.353 1.00 0.00 C ATOM 0 H ALA A 75 -4.471 15.089 0.589 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.297 12.420 0.898 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.247 12.265 -0.616 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.378 13.652 0.491 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.909 13.909 -1.207 1.00 0.00 H new ATOM 1181 N GLN A 76 -3.194 13.226 -2.092 1.00 0.00 N ATOM 1182 CA GLN A 76 -2.447 12.725 -3.240 1.00 0.00 C ATOM 1183 C GLN A 76 -1.316 11.805 -2.794 1.00 0.00 C ATOM 1184 O GLN A 76 -1.303 10.618 -3.117 1.00 0.00 O ATOM 1185 CB GLN A 76 -1.882 13.890 -4.055 1.00 0.00 C ATOM 1186 CG GLN A 76 -2.923 14.596 -4.909 1.00 0.00 C ATOM 1187 CD GLN A 76 -4.036 15.209 -4.083 1.00 0.00 C ATOM 1188 OE1 GLN A 76 -3.789 15.821 -3.044 1.00 0.00 O ATOM 1189 NE2 GLN A 76 -5.272 15.049 -4.543 1.00 0.00 N ATOM 0 H GLN A 76 -3.378 14.229 -2.113 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.132 12.152 -3.865 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.431 14.613 -3.375 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -1.086 13.519 -4.700 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.438 15.377 -5.495 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.350 13.885 -5.617 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.431 14.534 -5.409 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.062 15.441 -4.030 1.00 0.00 H new ATOM 1198 N GLY A 77 -0.365 12.362 -2.049 1.00 0.00 N ATOM 1199 CA GLY A 77 0.758 11.577 -1.571 1.00 0.00 C ATOM 1200 C GLY A 77 0.321 10.314 -0.857 1.00 0.00 C ATOM 1201 O GLY A 77 0.811 9.224 -1.151 1.00 0.00 O ATOM 0 H GLY A 77 -0.353 13.343 -1.768 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.397 11.312 -2.414 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.359 12.184 -0.894 1.00 0.00 H new ATOM 1205 N PHE A 78 -0.604 10.460 0.086 1.00 0.00 N ATOM 1206 CA PHE A 78 -1.106 9.322 0.847 1.00 0.00 C ATOM 1207 C PHE A 78 -1.588 8.214 -0.085 1.00 0.00 C ATOM 1208 O PHE A 78 -1.123 7.077 -0.008 1.00 0.00 O ATOM 1209 CB PHE A 78 -2.247 9.760 1.768 1.00 0.00 C ATOM 1210 CG PHE A 78 -3.008 8.612 2.368 1.00 0.00 C ATOM 1211 CD1 PHE A 78 -2.394 7.748 3.260 1.00 0.00 C ATOM 1212 CD2 PHE A 78 -4.337 8.398 2.040 1.00 0.00 C ATOM 1213 CE1 PHE A 78 -3.092 6.691 3.813 1.00 0.00 C ATOM 1214 CE2 PHE A 78 -5.040 7.343 2.589 1.00 0.00 C ATOM 1215 CZ PHE A 78 -4.417 6.489 3.478 1.00 0.00 C ATOM 0 H PHE A 78 -1.021 11.355 0.341 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.287 8.933 1.453 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.840 10.374 2.571 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.937 10.388 1.205 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.359 7.902 3.526 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.829 9.064 1.347 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.602 6.024 4.506 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -6.075 7.186 2.323 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.965 5.665 3.910 1.00 0.00 H new ATOM 1225 N ALA A 79 -2.523 8.555 -0.966 1.00 0.00 N ATOM 1226 CA ALA A 79 -3.067 7.591 -1.914 1.00 0.00 C ATOM 1227 C ALA A 79 -1.964 6.989 -2.778 1.00 0.00 C ATOM 1228 O ALA A 79 -1.780 5.772 -2.808 1.00 0.00 O ATOM 1229 CB ALA A 79 -4.125 8.248 -2.787 1.00 0.00 C ATOM 0 H ALA A 79 -2.919 9.492 -1.043 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.530 6.783 -1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.522 7.516 -3.490 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.933 8.624 -2.159 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.679 9.076 -3.338 1.00 0.00 H new ATOM 1235 N ALA A 80 -1.234 7.848 -3.481 1.00 0.00 N ATOM 1236 CA ALA A 80 -0.148 7.401 -4.345 1.00 0.00 C ATOM 1237 C ALA A 80 0.593 6.220 -3.728 1.00 0.00 C ATOM 1238 O ALA A 80 0.818 5.204 -4.387 1.00 0.00 O ATOM 1239 CB ALA A 80 0.815 8.547 -4.618 1.00 0.00 C ATOM 0 H ALA A 80 -1.375 8.858 -3.469 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.580 7.072 -5.290 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.621 8.199 -5.264 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.282 9.361 -5.109 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.233 8.903 -3.676 1.00 0.00 H new ATOM 1245 N ASP A 81 0.970 6.359 -2.462 1.00 0.00 N ATOM 1246 CA ASP A 81 1.686 5.303 -1.757 1.00 0.00 C ATOM 1247 C ASP A 81 0.853 4.026 -1.700 1.00 0.00 C ATOM 1248 O ASP A 81 1.293 2.965 -2.141 1.00 0.00 O ATOM 1249 CB ASP A 81 2.043 5.757 -0.341 1.00 0.00 C ATOM 1250 CG ASP A 81 3.296 5.085 0.184 1.00 0.00 C ATOM 1251 OD1 ASP A 81 3.226 3.887 0.530 1.00 0.00 O ATOM 1252 OD2 ASP A 81 4.347 5.757 0.249 1.00 0.00 O ATOM 0 H ASP A 81 0.791 7.193 -1.903 1.00 0.00 H new ATOM 0 HA ASP A 81 2.604 5.092 -2.305 1.00 0.00 H new ATOM 0 HB2 ASP A 81 2.184 6.838 -0.334 1.00 0.00 H new ATOM 0 HB3 ASP A 81 1.210 5.540 0.328 1.00 0.00 H new ATOM 1257 N VAL A 82 -0.353 4.137 -1.152 1.00 0.00 N ATOM 1258 CA VAL A 82 -1.249 2.992 -1.037 1.00 0.00 C ATOM 1259 C VAL A 82 -1.394 2.271 -2.372 1.00 0.00 C ATOM 1260 O VAL A 82 -1.242 1.052 -2.451 1.00 0.00 O ATOM 1261 CB VAL A 82 -2.643 3.417 -0.541 1.00 0.00 C ATOM 1262 CG1 VAL A 82 -3.587 2.224 -0.511 1.00 0.00 C ATOM 1263 CG2 VAL A 82 -2.546 4.065 0.832 1.00 0.00 C ATOM 0 H VAL A 82 -0.732 5.008 -0.781 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.804 2.314 -0.308 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.047 4.152 -1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.567 2.544 -0.158 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.681 1.809 -1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.190 1.463 0.161 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.541 4.359 1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.120 3.354 1.540 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.907 4.946 0.774 1.00 0.00 H new ATOM 1273 N ARG A 83 -1.688 3.033 -3.421 1.00 0.00 N ATOM 1274 CA ARG A 83 -1.854 2.467 -4.754 1.00 0.00 C ATOM 1275 C ARG A 83 -0.617 1.675 -5.166 1.00 0.00 C ATOM 1276 O ARG A 83 -0.705 0.488 -5.486 1.00 0.00 O ATOM 1277 CB ARG A 83 -2.125 3.577 -5.772 1.00 0.00 C ATOM 1278 CG ARG A 83 -3.593 3.953 -5.887 1.00 0.00 C ATOM 1279 CD ARG A 83 -3.765 5.414 -6.272 1.00 0.00 C ATOM 1280 NE ARG A 83 -5.127 5.708 -6.710 1.00 0.00 N ATOM 1281 CZ ARG A 83 -5.589 5.417 -7.920 1.00 0.00 C ATOM 1282 NH1 ARG A 83 -4.802 4.826 -8.809 1.00 0.00 N ATOM 1283 NH2 ARG A 83 -6.841 5.716 -8.244 1.00 0.00 N ATOM 0 H ARG A 83 -1.816 4.044 -3.373 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.707 1.789 -4.730 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.553 4.462 -5.493 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.763 3.258 -6.749 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.075 3.320 -6.632 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.094 3.764 -4.937 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.514 6.045 -5.420 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.066 5.663 -7.070 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.758 6.162 -6.050 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.840 4.594 -8.564 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.159 4.603 -9.738 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.450 6.170 -7.563 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -7.195 5.492 -9.174 1.00 0.00 H new ATOM 1297 N LEU A 84 0.534 2.338 -5.157 1.00 0.00 N ATOM 1298 CA LEU A 84 1.790 1.695 -5.531 1.00 0.00 C ATOM 1299 C LEU A 84 1.906 0.315 -4.892 1.00 0.00 C ATOM 1300 O LEU A 84 2.287 -0.653 -5.549 1.00 0.00 O ATOM 1301 CB LEU A 84 2.975 2.566 -5.112 1.00 0.00 C ATOM 1302 CG LEU A 84 4.343 1.883 -5.111 1.00 0.00 C ATOM 1303 CD1 LEU A 84 4.908 1.819 -6.521 1.00 0.00 C ATOM 1304 CD2 LEU A 84 5.303 2.612 -4.182 1.00 0.00 C ATOM 0 H LEU A 84 0.624 3.320 -4.895 1.00 0.00 H new ATOM 0 HA LEU A 84 1.801 1.575 -6.614 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.021 3.427 -5.779 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.782 2.949 -4.110 1.00 0.00 H new ATOM 0 HG LEU A 84 4.219 0.864 -4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.882 1.330 -6.501 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.230 1.252 -7.159 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.018 2.829 -6.915 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.271 2.112 -4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.422 3.642 -4.518 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.904 2.605 -3.168 1.00 0.00 H new ATOM 1316 N MET A 85 1.574 0.233 -3.608 1.00 0.00 N ATOM 1317 CA MET A 85 1.639 -1.029 -2.881 1.00 0.00 C ATOM 1318 C MET A 85 0.851 -2.115 -3.606 1.00 0.00 C ATOM 1319 O MET A 85 1.281 -3.267 -3.676 1.00 0.00 O ATOM 1320 CB MET A 85 1.098 -0.853 -1.461 1.00 0.00 C ATOM 1321 CG MET A 85 1.005 -2.154 -0.680 1.00 0.00 C ATOM 1322 SD MET A 85 0.375 -1.917 0.992 1.00 0.00 S ATOM 1323 CE MET A 85 -1.388 -1.851 0.684 1.00 0.00 C ATOM 0 H MET A 85 1.257 1.026 -3.050 1.00 0.00 H new ATOM 0 HA MET A 85 2.684 -1.336 -2.829 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.741 -0.159 -0.920 1.00 0.00 H new ATOM 0 HB3 MET A 85 0.109 -0.398 -1.512 1.00 0.00 H new ATOM 0 HG2 MET A 85 0.356 -2.848 -1.214 1.00 0.00 H new ATOM 0 HG3 MET A 85 1.992 -2.615 -0.630 1.00 0.00 H new ATOM 0 HE1 MET A 85 -1.813 -0.983 1.189 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.567 -1.771 -0.388 1.00 0.00 H new ATOM 0 HE3 MET A 85 -1.858 -2.758 1.064 1.00 0.00 H new ATOM 1333 N PHE A 86 -0.305 -1.741 -4.145 1.00 0.00 N ATOM 1334 CA PHE A 86 -1.154 -2.684 -4.865 1.00 0.00 C ATOM 1335 C PHE A 86 -0.559 -3.020 -6.229 1.00 0.00 C ATOM 1336 O PHE A 86 -0.440 -4.190 -6.595 1.00 0.00 O ATOM 1337 CB PHE A 86 -2.561 -2.107 -5.038 1.00 0.00 C ATOM 1338 CG PHE A 86 -3.355 -2.071 -3.763 1.00 0.00 C ATOM 1339 CD1 PHE A 86 -3.890 -3.233 -3.232 1.00 0.00 C ATOM 1340 CD2 PHE A 86 -3.567 -0.875 -3.097 1.00 0.00 C ATOM 1341 CE1 PHE A 86 -4.621 -3.204 -2.060 1.00 0.00 C ATOM 1342 CE2 PHE A 86 -4.297 -0.840 -1.924 1.00 0.00 C ATOM 1343 CZ PHE A 86 -4.826 -2.005 -1.405 1.00 0.00 C ATOM 0 H PHE A 86 -0.675 -0.792 -4.097 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.214 -3.601 -4.279 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.484 -1.096 -5.437 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.100 -2.701 -5.776 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.734 -4.173 -3.740 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.157 0.040 -3.499 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -5.032 -4.118 -1.656 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -4.454 0.099 -1.413 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.398 -1.979 -0.490 1.00 0.00 H new ATOM 1353 N SER A 87 -0.187 -1.986 -6.977 1.00 0.00 N ATOM 1354 CA SER A 87 0.392 -2.171 -8.302 1.00 0.00 C ATOM 1355 C SER A 87 1.438 -3.282 -8.288 1.00 0.00 C ATOM 1356 O SER A 87 1.451 -4.148 -9.162 1.00 0.00 O ATOM 1357 CB SER A 87 1.024 -0.867 -8.792 1.00 0.00 C ATOM 1358 OG SER A 87 1.361 -0.948 -10.166 1.00 0.00 O ATOM 0 H SER A 87 -0.276 -1.012 -6.688 1.00 0.00 H new ATOM 0 HA SER A 87 -0.408 -2.458 -8.984 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.331 -0.041 -8.633 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.918 -0.650 -8.207 1.00 0.00 H new ATOM 0 HG SER A 87 1.762 -0.102 -10.455 1.00 0.00 H new ATOM 1364 N ASN A 88 2.314 -3.249 -7.289 1.00 0.00 N ATOM 1365 CA ASN A 88 3.364 -4.253 -7.160 1.00 0.00 C ATOM 1366 C ASN A 88 2.773 -5.658 -7.127 1.00 0.00 C ATOM 1367 O ASN A 88 3.240 -6.556 -7.830 1.00 0.00 O ATOM 1368 CB ASN A 88 4.185 -4.002 -5.893 1.00 0.00 C ATOM 1369 CG ASN A 88 4.626 -2.557 -5.766 1.00 0.00 C ATOM 1370 OD1 ASN A 88 4.540 -1.784 -6.721 1.00 0.00 O ATOM 1371 ND2 ASN A 88 5.102 -2.186 -4.583 1.00 0.00 N ATOM 0 H ASN A 88 2.318 -2.538 -6.557 1.00 0.00 H new ATOM 0 HA ASN A 88 4.017 -4.174 -8.030 1.00 0.00 H new ATOM 0 HB2 ASN A 88 3.593 -4.276 -5.020 1.00 0.00 H new ATOM 0 HB3 ASN A 88 5.063 -4.648 -5.899 1.00 0.00 H new ATOM 0 HD21 ASN A 88 5.415 -1.226 -4.437 1.00 0.00 H new ATOM 0 HD22 ASN A 88 5.155 -2.861 -3.820 1.00 0.00 H new ATOM 1378 N CYS A 89 1.744 -5.842 -6.308 1.00 0.00 N ATOM 1379 CA CYS A 89 1.088 -7.139 -6.183 1.00 0.00 C ATOM 1380 C CYS A 89 0.765 -7.720 -7.556 1.00 0.00 C ATOM 1381 O CYS A 89 1.153 -8.845 -7.872 1.00 0.00 O ATOM 1382 CB CYS A 89 -0.193 -7.009 -5.357 1.00 0.00 C ATOM 1383 SG CYS A 89 -1.223 -8.494 -5.354 1.00 0.00 S ATOM 0 H CYS A 89 1.346 -5.110 -5.720 1.00 0.00 H new ATOM 0 HA CYS A 89 1.773 -7.817 -5.674 1.00 0.00 H new ATOM 0 HB2 CYS A 89 0.074 -6.763 -4.329 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.778 -6.175 -5.743 1.00 0.00 H new ATOM 0 HG CYS A 89 -2.245 -8.315 -6.137 1.00 0.00 H new ATOM 1389 N TYR A 90 0.052 -6.946 -8.367 1.00 0.00 N ATOM 1390 CA TYR A 90 -0.327 -7.385 -9.704 1.00 0.00 C ATOM 1391 C TYR A 90 0.812 -7.159 -10.695 1.00 0.00 C ATOM 1392 O TYR A 90 0.604 -7.157 -11.908 1.00 0.00 O ATOM 1393 CB TYR A 90 -1.579 -6.642 -10.172 1.00 0.00 C ATOM 1394 CG TYR A 90 -2.589 -6.405 -9.072 1.00 0.00 C ATOM 1395 CD1 TYR A 90 -3.222 -7.469 -8.442 1.00 0.00 C ATOM 1396 CD2 TYR A 90 -2.910 -5.117 -8.662 1.00 0.00 C ATOM 1397 CE1 TYR A 90 -4.146 -7.257 -7.437 1.00 0.00 C ATOM 1398 CE2 TYR A 90 -3.831 -4.895 -7.657 1.00 0.00 C ATOM 1399 CZ TYR A 90 -4.447 -5.969 -7.048 1.00 0.00 C ATOM 1400 OH TYR A 90 -5.366 -5.754 -6.047 1.00 0.00 O ATOM 0 H TYR A 90 -0.275 -6.012 -8.121 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.541 -8.453 -9.661 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.284 -5.682 -10.596 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -2.052 -7.212 -10.972 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.988 -8.479 -8.743 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.431 -4.274 -9.138 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.630 -8.096 -6.959 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -4.068 -3.887 -7.350 1.00 0.00 H new ATOM 0 HH TYR A 90 -5.463 -4.791 -5.893 1.00 0.00 H new ATOM 1410 N LYS A 91 2.017 -6.971 -10.168 1.00 0.00 N ATOM 1411 CA LYS A 91 3.191 -6.746 -11.002 1.00 0.00 C ATOM 1412 C LYS A 91 4.144 -7.936 -10.933 1.00 0.00 C ATOM 1413 O LYS A 91 4.797 -8.279 -11.918 1.00 0.00 O ATOM 1414 CB LYS A 91 3.917 -5.472 -10.565 1.00 0.00 C ATOM 1415 CG LYS A 91 4.926 -4.968 -11.582 1.00 0.00 C ATOM 1416 CD LYS A 91 5.883 -3.961 -10.966 1.00 0.00 C ATOM 1417 CE LYS A 91 6.532 -3.086 -12.028 1.00 0.00 C ATOM 1418 NZ LYS A 91 5.625 -1.994 -12.477 1.00 0.00 N ATOM 0 H LYS A 91 2.206 -6.970 -9.166 1.00 0.00 H new ATOM 0 HA LYS A 91 2.856 -6.630 -12.033 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.181 -4.690 -10.378 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.428 -5.661 -9.621 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.491 -5.809 -11.984 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.401 -4.508 -12.419 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.345 -3.334 -10.255 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.655 -4.487 -10.405 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.451 -2.655 -11.631 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.812 -3.701 -12.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.104 -1.420 -13.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.759 -2.406 -12.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.378 -1.392 -11.666 1.00 0.00 H new ATOM 1432 N TYR A 92 4.217 -8.562 -9.763 1.00 0.00 N ATOM 1433 CA TYR A 92 5.090 -9.712 -9.565 1.00 0.00 C ATOM 1434 C TYR A 92 4.278 -10.999 -9.448 1.00 0.00 C ATOM 1435 O TYR A 92 4.436 -11.920 -10.248 1.00 0.00 O ATOM 1436 CB TYR A 92 5.946 -9.520 -8.312 1.00 0.00 C ATOM 1437 CG TYR A 92 7.067 -10.526 -8.184 1.00 0.00 C ATOM 1438 CD1 TYR A 92 8.225 -10.404 -8.943 1.00 0.00 C ATOM 1439 CD2 TYR A 92 6.969 -11.598 -7.306 1.00 0.00 C ATOM 1440 CE1 TYR A 92 9.253 -11.321 -8.830 1.00 0.00 C ATOM 1441 CE2 TYR A 92 7.992 -12.519 -7.186 1.00 0.00 C ATOM 1442 CZ TYR A 92 9.131 -12.376 -7.950 1.00 0.00 C ATOM 1443 OH TYR A 92 10.152 -13.292 -7.834 1.00 0.00 O ATOM 0 H TYR A 92 3.682 -8.292 -8.938 1.00 0.00 H new ATOM 0 HA TYR A 92 5.743 -9.794 -10.434 1.00 0.00 H new ATOM 0 HB2 TYR A 92 6.370 -8.516 -8.322 1.00 0.00 H new ATOM 0 HB3 TYR A 92 5.307 -9.587 -7.432 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.323 -9.579 -9.633 1.00 0.00 H new ATOM 0 HD2 TYR A 92 6.078 -11.714 -6.707 1.00 0.00 H new ATOM 0 HE1 TYR A 92 10.146 -11.212 -9.427 1.00 0.00 H new ATOM 0 HE2 TYR A 92 7.900 -13.346 -6.498 1.00 0.00 H new ATOM 0 HH TYR A 92 9.908 -13.971 -7.171 1.00 0.00 H new ATOM 1453 N ASN A 93 3.409 -11.052 -8.445 1.00 0.00 N ATOM 1454 CA ASN A 93 2.571 -12.225 -8.221 1.00 0.00 C ATOM 1455 C ASN A 93 1.823 -12.610 -9.494 1.00 0.00 C ATOM 1456 O ASN A 93 1.331 -11.759 -10.236 1.00 0.00 O ATOM 1457 CB ASN A 93 1.574 -11.958 -7.092 1.00 0.00 C ATOM 1458 CG ASN A 93 2.209 -12.078 -5.720 1.00 0.00 C ATOM 1459 OD1 ASN A 93 2.869 -13.072 -5.414 1.00 0.00 O ATOM 1460 ND2 ASN A 93 2.012 -11.064 -4.886 1.00 0.00 N ATOM 0 H ASN A 93 3.266 -10.297 -7.774 1.00 0.00 H new ATOM 0 HA ASN A 93 3.219 -13.054 -7.936 1.00 0.00 H new ATOM 0 HB2 ASN A 93 1.155 -10.959 -7.209 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.745 -12.662 -7.169 1.00 0.00 H new ATOM 0 HD21 ASN A 93 2.415 -11.089 -3.949 1.00 0.00 H new ATOM 0 HD22 ASN A 93 1.458 -10.260 -5.182 1.00 0.00 H new ATOM 1467 N PRO A 94 1.734 -13.923 -9.754 1.00 0.00 N ATOM 1468 CA PRO A 94 1.047 -14.451 -10.937 1.00 0.00 C ATOM 1469 C PRO A 94 -0.464 -14.264 -10.860 1.00 0.00 C ATOM 1470 O PRO A 94 -1.029 -14.004 -9.798 1.00 0.00 O ATOM 1471 CB PRO A 94 1.404 -15.939 -10.919 1.00 0.00 C ATOM 1472 CG PRO A 94 1.691 -16.243 -9.489 1.00 0.00 C ATOM 1473 CD PRO A 94 2.298 -14.993 -8.914 1.00 0.00 C ATOM 0 HA PRO A 94 1.351 -13.937 -11.849 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.582 -16.548 -11.296 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.269 -16.146 -11.549 1.00 0.00 H new ATOM 0 HG2 PRO A 94 0.779 -16.514 -8.957 1.00 0.00 H new ATOM 0 HG3 PRO A 94 2.376 -17.086 -9.399 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.032 -14.863 -7.865 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.387 -15.014 -8.967 1.00 0.00 H new ATOM 1481 N PRO A 95 -1.137 -14.400 -12.012 1.00 0.00 N ATOM 1482 CA PRO A 95 -2.593 -14.252 -12.101 1.00 0.00 C ATOM 1483 C PRO A 95 -3.335 -15.396 -11.419 1.00 0.00 C ATOM 1484 O PRO A 95 -4.457 -15.223 -10.941 1.00 0.00 O ATOM 1485 CB PRO A 95 -2.859 -14.265 -13.609 1.00 0.00 C ATOM 1486 CG PRO A 95 -1.714 -15.021 -14.189 1.00 0.00 C ATOM 1487 CD PRO A 95 -0.529 -14.710 -13.317 1.00 0.00 C ATOM 0 HA PRO A 95 -2.942 -13.349 -11.600 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.809 -14.747 -13.839 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.909 -13.253 -14.011 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -1.919 -16.091 -14.201 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.530 -14.720 -15.220 1.00 0.00 H new ATOM 0 HD2 PRO A 95 0.154 -15.557 -13.251 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.044 -13.867 -13.704 1.00 0.00 H new ATOM 1495 N ASP A 96 -2.702 -16.563 -11.377 1.00 0.00 N ATOM 1496 CA ASP A 96 -3.303 -17.736 -10.751 1.00 0.00 C ATOM 1497 C ASP A 96 -2.983 -17.780 -9.260 1.00 0.00 C ATOM 1498 O ASP A 96 -2.961 -18.849 -8.650 1.00 0.00 O ATOM 1499 CB ASP A 96 -2.806 -19.013 -11.430 1.00 0.00 C ATOM 1500 CG ASP A 96 -1.379 -19.355 -11.046 1.00 0.00 C ATOM 1501 OD1 ASP A 96 -0.458 -18.637 -11.488 1.00 0.00 O ATOM 1502 OD2 ASP A 96 -1.185 -20.340 -10.304 1.00 0.00 O ATOM 0 H ASP A 96 -1.774 -16.723 -11.768 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.384 -17.668 -10.870 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -3.460 -19.842 -11.161 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -2.870 -18.894 -12.512 1.00 0.00 H new ATOM 1507 N HIS A 97 -2.734 -16.610 -8.678 1.00 0.00 N ATOM 1508 CA HIS A 97 -2.415 -16.516 -7.258 1.00 0.00 C ATOM 1509 C HIS A 97 -3.636 -16.078 -6.455 1.00 0.00 C ATOM 1510 O HIS A 97 -4.328 -15.132 -6.827 1.00 0.00 O ATOM 1511 CB HIS A 97 -1.265 -15.532 -7.037 1.00 0.00 C ATOM 1512 CG HIS A 97 -0.404 -15.872 -5.861 1.00 0.00 C ATOM 1513 ND1 HIS A 97 -0.749 -15.565 -4.561 1.00 0.00 N ATOM 1514 CD2 HIS A 97 0.795 -16.498 -5.792 1.00 0.00 C ATOM 1515 CE1 HIS A 97 0.201 -15.986 -3.745 1.00 0.00 C ATOM 1516 NE2 HIS A 97 1.149 -16.557 -4.467 1.00 0.00 N ATOM 0 H HIS A 97 -2.747 -15.715 -9.168 1.00 0.00 H new ATOM 0 HA HIS A 97 -2.110 -17.504 -6.913 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -0.646 -15.502 -7.934 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -1.675 -14.532 -6.899 1.00 0.00 H new ATOM 0 HD2 HIS A 97 1.367 -16.880 -6.625 1.00 0.00 H new ATOM 0 HE1 HIS A 97 0.202 -15.881 -2.670 1.00 0.00 H new ATOM 0 HE2 HIS A 97 2.004 -16.974 -4.100 1.00 0.00 H new ATOM 1524 N GLU A 98 -3.893 -16.775 -5.352 1.00 0.00 N ATOM 1525 CA GLU A 98 -5.032 -16.459 -4.498 1.00 0.00 C ATOM 1526 C GLU A 98 -4.874 -15.077 -3.871 1.00 0.00 C ATOM 1527 O GLU A 98 -5.792 -14.257 -3.908 1.00 0.00 O ATOM 1528 CB GLU A 98 -5.184 -17.514 -3.401 1.00 0.00 C ATOM 1529 CG GLU A 98 -4.318 -17.252 -2.180 1.00 0.00 C ATOM 1530 CD GLU A 98 -4.483 -18.313 -1.109 1.00 0.00 C ATOM 1531 OE1 GLU A 98 -5.634 -18.719 -0.848 1.00 0.00 O ATOM 1532 OE2 GLU A 98 -3.459 -18.737 -0.533 1.00 0.00 O ATOM 0 H GLU A 98 -3.329 -17.561 -5.029 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.929 -16.458 -5.118 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.229 -17.557 -3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.932 -18.492 -3.812 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.272 -17.207 -2.484 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.571 -16.277 -1.762 1.00 0.00 H new ATOM 1539 N VAL A 99 -3.703 -14.825 -3.294 1.00 0.00 N ATOM 1540 CA VAL A 99 -3.424 -13.543 -2.659 1.00 0.00 C ATOM 1541 C VAL A 99 -3.915 -12.384 -3.520 1.00 0.00 C ATOM 1542 O VAL A 99 -4.366 -11.361 -3.004 1.00 0.00 O ATOM 1543 CB VAL A 99 -1.917 -13.366 -2.391 1.00 0.00 C ATOM 1544 CG1 VAL A 99 -1.216 -12.818 -3.625 1.00 0.00 C ATOM 1545 CG2 VAL A 99 -1.693 -12.456 -1.193 1.00 0.00 C ATOM 0 H VAL A 99 -2.933 -15.492 -3.253 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.958 -13.538 -1.709 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.489 -14.342 -2.163 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.153 -12.700 -3.417 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.348 -13.511 -4.456 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.644 -11.851 -3.887 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.623 -12.342 -1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.135 -11.479 -1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.160 -12.894 -0.311 1.00 0.00 H new ATOM 1555 N VAL A 100 -3.826 -12.552 -4.835 1.00 0.00 N ATOM 1556 CA VAL A 100 -4.263 -11.521 -5.769 1.00 0.00 C ATOM 1557 C VAL A 100 -5.744 -11.207 -5.587 1.00 0.00 C ATOM 1558 O VAL A 100 -6.158 -10.051 -5.664 1.00 0.00 O ATOM 1559 CB VAL A 100 -4.015 -11.945 -7.229 1.00 0.00 C ATOM 1560 CG1 VAL A 100 -4.627 -10.935 -8.189 1.00 0.00 C ATOM 1561 CG2 VAL A 100 -2.526 -12.107 -7.491 1.00 0.00 C ATOM 0 H VAL A 100 -3.455 -13.393 -5.278 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.676 -10.628 -5.553 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.497 -12.908 -7.396 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.442 -11.251 -9.216 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -5.701 -10.874 -8.016 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.176 -9.956 -8.024 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.369 -12.407 -8.527 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.019 -11.160 -7.307 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.121 -12.871 -6.827 1.00 0.00 H new ATOM 1571 N ALA A 101 -6.538 -12.245 -5.345 1.00 0.00 N ATOM 1572 CA ALA A 101 -7.973 -12.080 -5.149 1.00 0.00 C ATOM 1573 C ALA A 101 -8.266 -11.298 -3.873 1.00 0.00 C ATOM 1574 O ALA A 101 -9.167 -10.459 -3.841 1.00 0.00 O ATOM 1575 CB ALA A 101 -8.660 -13.437 -5.108 1.00 0.00 C ATOM 0 H ALA A 101 -6.212 -13.209 -5.280 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.367 -11.511 -5.991 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.731 -13.298 -4.961 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.488 -13.961 -6.048 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.254 -14.026 -4.285 1.00 0.00 H new ATOM 1581 N MET A 102 -7.501 -11.579 -2.823 1.00 0.00 N ATOM 1582 CA MET A 102 -7.680 -10.900 -1.545 1.00 0.00 C ATOM 1583 C MET A 102 -7.329 -9.420 -1.661 1.00 0.00 C ATOM 1584 O MET A 102 -7.972 -8.570 -1.046 1.00 0.00 O ATOM 1585 CB MET A 102 -6.815 -11.558 -0.468 1.00 0.00 C ATOM 1586 CG MET A 102 -7.151 -13.021 -0.228 1.00 0.00 C ATOM 1587 SD MET A 102 -6.812 -13.544 1.464 1.00 0.00 S ATOM 1588 CE MET A 102 -5.035 -13.323 1.536 1.00 0.00 C ATOM 0 H MET A 102 -6.752 -12.271 -2.832 1.00 0.00 H new ATOM 0 HA MET A 102 -8.729 -10.985 -1.261 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.767 -11.477 -0.756 1.00 0.00 H new ATOM 0 HB3 MET A 102 -6.932 -11.009 0.466 1.00 0.00 H new ATOM 0 HG2 MET A 102 -8.204 -13.189 -0.452 1.00 0.00 H new ATOM 0 HG3 MET A 102 -6.576 -13.639 -0.917 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.561 -14.271 1.791 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.671 -12.984 0.566 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.791 -12.580 2.295 1.00 0.00 H new ATOM 1598 N ALA A 103 -6.305 -9.120 -2.453 1.00 0.00 N ATOM 1599 CA ALA A 103 -5.871 -7.742 -2.650 1.00 0.00 C ATOM 1600 C ALA A 103 -7.003 -6.883 -3.202 1.00 0.00 C ATOM 1601 O ALA A 103 -7.143 -5.715 -2.839 1.00 0.00 O ATOM 1602 CB ALA A 103 -4.669 -7.697 -3.582 1.00 0.00 C ATOM 0 H ALA A 103 -5.761 -9.812 -2.968 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.582 -7.336 -1.681 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.355 -6.663 -3.721 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.850 -8.270 -3.147 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.940 -8.126 -4.546 1.00 0.00 H new ATOM 1608 N ARG A 104 -7.810 -7.469 -4.082 1.00 0.00 N ATOM 1609 CA ARG A 104 -8.929 -6.755 -4.685 1.00 0.00 C ATOM 1610 C ARG A 104 -9.894 -6.253 -3.615 1.00 0.00 C ATOM 1611 O ARG A 104 -10.149 -5.054 -3.507 1.00 0.00 O ATOM 1612 CB ARG A 104 -9.669 -7.663 -5.669 1.00 0.00 C ATOM 1613 CG ARG A 104 -8.813 -8.120 -6.839 1.00 0.00 C ATOM 1614 CD ARG A 104 -9.493 -9.228 -7.628 1.00 0.00 C ATOM 1615 NE ARG A 104 -10.658 -8.741 -8.362 1.00 0.00 N ATOM 1616 CZ ARG A 104 -11.190 -9.377 -9.400 1.00 0.00 C ATOM 1617 NH1 ARG A 104 -10.666 -10.519 -9.822 1.00 0.00 N ATOM 1618 NH2 ARG A 104 -12.250 -8.870 -10.017 1.00 0.00 N ATOM 0 H ARG A 104 -7.709 -8.435 -4.393 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.531 -5.895 -5.223 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -10.037 -8.539 -5.135 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.541 -7.134 -6.053 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -8.612 -7.274 -7.497 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.850 -8.473 -6.470 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -8.780 -9.665 -8.328 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.799 -10.022 -6.947 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.086 -7.865 -8.061 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -9.852 -10.912 -9.349 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -11.077 -11.005 -10.619 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -12.656 -7.992 -9.694 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -12.658 -9.358 -10.814 1.00 0.00 H new ATOM 1632 N LYS A 105 -10.428 -7.179 -2.825 1.00 0.00 N ATOM 1633 CA LYS A 105 -11.364 -6.832 -1.763 1.00 0.00 C ATOM 1634 C LYS A 105 -10.979 -5.509 -1.110 1.00 0.00 C ATOM 1635 O LYS A 105 -11.767 -4.562 -1.091 1.00 0.00 O ATOM 1636 CB LYS A 105 -11.404 -7.941 -0.708 1.00 0.00 C ATOM 1637 CG LYS A 105 -12.214 -9.154 -1.131 1.00 0.00 C ATOM 1638 CD LYS A 105 -12.160 -10.254 -0.084 1.00 0.00 C ATOM 1639 CE LYS A 105 -11.006 -11.211 -0.340 1.00 0.00 C ATOM 1640 NZ LYS A 105 -11.292 -12.577 0.180 1.00 0.00 N ATOM 0 H LYS A 105 -10.228 -8.176 -2.901 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.354 -6.724 -2.206 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.384 -8.255 -0.485 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.823 -7.539 0.214 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.250 -8.860 -1.298 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.834 -9.534 -2.079 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.053 -9.811 0.906 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.100 -10.806 -0.086 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -10.809 -11.264 -1.411 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -10.102 -10.825 0.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.481 -13.199 -0.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -11.455 -12.531 1.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -12.139 -12.956 -0.288 1.00 0.00 H new ATOM 1654 N LEU A 106 -9.764 -5.448 -0.576 1.00 0.00 N ATOM 1655 CA LEU A 106 -9.275 -4.239 0.076 1.00 0.00 C ATOM 1656 C LEU A 106 -9.270 -3.061 -0.892 1.00 0.00 C ATOM 1657 O LEU A 106 -9.780 -1.985 -0.578 1.00 0.00 O ATOM 1658 CB LEU A 106 -7.865 -4.467 0.626 1.00 0.00 C ATOM 1659 CG LEU A 106 -7.379 -3.458 1.666 1.00 0.00 C ATOM 1660 CD1 LEU A 106 -8.132 -3.635 2.975 1.00 0.00 C ATOM 1661 CD2 LEU A 106 -5.880 -3.600 1.887 1.00 0.00 C ATOM 0 H LEU A 106 -9.100 -6.222 -0.582 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.948 -4.004 0.901 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.826 -5.462 1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.165 -4.462 -0.210 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.577 -2.454 1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.772 -2.908 3.703 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.198 -3.482 2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.967 -4.643 3.356 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.551 -2.874 2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.658 -4.607 2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.355 -3.421 0.949 1.00 0.00 H new ATOM 1673 N GLN A 107 -8.693 -3.273 -2.071 1.00 0.00 N ATOM 1674 CA GLN A 107 -8.625 -2.228 -3.086 1.00 0.00 C ATOM 1675 C GLN A 107 -9.965 -1.512 -3.222 1.00 0.00 C ATOM 1676 O GLN A 107 -10.016 -0.290 -3.355 1.00 0.00 O ATOM 1677 CB GLN A 107 -8.211 -2.823 -4.433 1.00 0.00 C ATOM 1678 CG GLN A 107 -8.060 -1.787 -5.535 1.00 0.00 C ATOM 1679 CD GLN A 107 -8.143 -2.393 -6.922 1.00 0.00 C ATOM 1680 OE1 GLN A 107 -7.163 -2.406 -7.667 1.00 0.00 O ATOM 1681 NE2 GLN A 107 -9.318 -2.901 -7.277 1.00 0.00 N ATOM 0 H GLN A 107 -8.267 -4.158 -2.346 1.00 0.00 H new ATOM 0 HA GLN A 107 -7.876 -1.500 -2.773 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -7.266 -3.353 -4.312 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.953 -3.561 -4.738 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.837 -1.031 -5.426 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -7.102 -1.279 -5.422 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -10.104 -2.869 -6.628 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -9.434 -3.323 -8.198 1.00 0.00 H new ATOM 1690 N ASP A 108 -11.047 -2.282 -3.190 1.00 0.00 N ATOM 1691 CA ASP A 108 -12.388 -1.722 -3.309 1.00 0.00 C ATOM 1692 C ASP A 108 -12.696 -0.797 -2.136 1.00 0.00 C ATOM 1693 O ASP A 108 -13.243 0.291 -2.317 1.00 0.00 O ATOM 1694 CB ASP A 108 -13.427 -2.842 -3.379 1.00 0.00 C ATOM 1695 CG ASP A 108 -14.656 -2.442 -4.171 1.00 0.00 C ATOM 1696 OD1 ASP A 108 -14.634 -2.585 -5.412 1.00 0.00 O ATOM 1697 OD2 ASP A 108 -15.640 -1.985 -3.552 1.00 0.00 O ATOM 0 H ASP A 108 -11.022 -3.296 -3.083 1.00 0.00 H new ATOM 0 HA ASP A 108 -12.432 -1.139 -4.229 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -12.976 -3.724 -3.834 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -13.725 -3.121 -2.368 1.00 0.00 H new ATOM 1702 N VAL A 109 -12.344 -1.238 -0.932 1.00 0.00 N ATOM 1703 CA VAL A 109 -12.583 -0.450 0.271 1.00 0.00 C ATOM 1704 C VAL A 109 -11.733 0.816 0.277 1.00 0.00 C ATOM 1705 O VAL A 109 -12.191 1.882 0.689 1.00 0.00 O ATOM 1706 CB VAL A 109 -12.281 -1.263 1.544 1.00 0.00 C ATOM 1707 CG1 VAL A 109 -12.493 -0.410 2.785 1.00 0.00 C ATOM 1708 CG2 VAL A 109 -13.145 -2.514 1.593 1.00 0.00 C ATOM 0 H VAL A 109 -11.892 -2.137 -0.764 1.00 0.00 H new ATOM 0 HA VAL A 109 -13.638 -0.176 0.265 1.00 0.00 H new ATOM 0 HB VAL A 109 -11.236 -1.571 1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -12.275 -1.001 3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -11.828 0.453 2.751 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -13.528 -0.070 2.820 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.919 -3.077 2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -14.197 -2.230 1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -12.939 -3.133 0.720 1.00 0.00 H new ATOM 1718 N PHE A 110 -10.493 0.692 -0.184 1.00 0.00 N ATOM 1719 CA PHE A 110 -9.578 1.826 -0.232 1.00 0.00 C ATOM 1720 C PHE A 110 -10.029 2.845 -1.274 1.00 0.00 C ATOM 1721 O PHE A 110 -9.887 4.052 -1.078 1.00 0.00 O ATOM 1722 CB PHE A 110 -8.159 1.351 -0.548 1.00 0.00 C ATOM 1723 CG PHE A 110 -7.231 2.460 -0.954 1.00 0.00 C ATOM 1724 CD1 PHE A 110 -6.658 3.286 -0.001 1.00 0.00 C ATOM 1725 CD2 PHE A 110 -6.932 2.677 -2.290 1.00 0.00 C ATOM 1726 CE1 PHE A 110 -5.805 4.308 -0.372 1.00 0.00 C ATOM 1727 CE2 PHE A 110 -6.079 3.697 -2.667 1.00 0.00 C ATOM 1728 CZ PHE A 110 -5.515 4.513 -1.707 1.00 0.00 C ATOM 0 H PHE A 110 -10.099 -0.183 -0.530 1.00 0.00 H new ATOM 0 HA PHE A 110 -9.583 2.306 0.746 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -7.749 0.848 0.328 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -8.202 0.613 -1.349 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -6.880 3.129 1.044 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.371 2.042 -3.045 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -5.366 4.946 0.381 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -5.854 3.855 -3.711 1.00 0.00 H new ATOM 0 HZ PHE A 110 -4.848 5.311 -1.999 1.00 0.00 H new ATOM 1738 N GLU A 111 -10.572 2.350 -2.381 1.00 0.00 N ATOM 1739 CA GLU A 111 -11.043 3.217 -3.455 1.00 0.00 C ATOM 1740 C GLU A 111 -12.416 3.795 -3.125 1.00 0.00 C ATOM 1741 O GLU A 111 -12.566 5.004 -2.951 1.00 0.00 O ATOM 1742 CB GLU A 111 -11.106 2.444 -4.774 1.00 0.00 C ATOM 1743 CG GLU A 111 -9.740 2.119 -5.355 1.00 0.00 C ATOM 1744 CD GLU A 111 -9.828 1.451 -6.714 1.00 0.00 C ATOM 1745 OE1 GLU A 111 -10.704 0.578 -6.891 1.00 0.00 O ATOM 1746 OE2 GLU A 111 -9.021 1.802 -7.600 1.00 0.00 O ATOM 0 H GLU A 111 -10.697 1.353 -2.558 1.00 0.00 H new ATOM 0 HA GLU A 111 -10.337 4.041 -3.559 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -11.654 1.515 -4.615 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.671 3.028 -5.501 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.159 3.037 -5.442 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -9.203 1.466 -4.667 1.00 0.00 H new ATOM 1753 N MET A 112 -13.415 2.922 -3.042 1.00 0.00 N ATOM 1754 CA MET A 112 -14.775 3.346 -2.733 1.00 0.00 C ATOM 1755 C MET A 112 -14.778 4.416 -1.646 1.00 0.00 C ATOM 1756 O MET A 112 -15.563 5.363 -1.696 1.00 0.00 O ATOM 1757 CB MET A 112 -15.616 2.148 -2.288 1.00 0.00 C ATOM 1758 CG MET A 112 -15.245 1.623 -0.911 1.00 0.00 C ATOM 1759 SD MET A 112 -16.180 2.417 0.410 1.00 0.00 S ATOM 1760 CE MET A 112 -17.811 1.733 0.130 1.00 0.00 C ATOM 0 H MET A 112 -13.308 1.918 -3.184 1.00 0.00 H new ATOM 0 HA MET A 112 -15.211 3.771 -3.637 1.00 0.00 H new ATOM 0 HB2 MET A 112 -16.668 2.433 -2.288 1.00 0.00 H new ATOM 0 HB3 MET A 112 -15.504 1.345 -3.016 1.00 0.00 H new ATOM 0 HG2 MET A 112 -15.418 0.547 -0.878 1.00 0.00 H new ATOM 0 HG3 MET A 112 -14.180 1.780 -0.742 1.00 0.00 H new ATOM 0 HE1 MET A 112 -18.389 1.782 1.053 1.00 0.00 H new ATOM 0 HE2 MET A 112 -18.317 2.306 -0.647 1.00 0.00 H new ATOM 0 HE3 MET A 112 -17.720 0.694 -0.187 1.00 0.00 H new ATOM 1770 N ARG A 113 -13.896 4.258 -0.664 1.00 0.00 N ATOM 1771 CA ARG A 113 -13.798 5.210 0.436 1.00 0.00 C ATOM 1772 C ARG A 113 -13.332 6.574 -0.065 1.00 0.00 C ATOM 1773 O ARG A 113 -14.038 7.572 0.075 1.00 0.00 O ATOM 1774 CB ARG A 113 -12.833 4.690 1.503 1.00 0.00 C ATOM 1775 CG ARG A 113 -13.446 3.645 2.421 1.00 0.00 C ATOM 1776 CD ARG A 113 -14.368 4.280 3.451 1.00 0.00 C ATOM 1777 NE ARG A 113 -15.427 3.367 3.874 1.00 0.00 N ATOM 1778 CZ ARG A 113 -16.161 3.549 4.966 1.00 0.00 C ATOM 1779 NH1 ARG A 113 -15.953 4.605 5.741 1.00 0.00 N ATOM 1780 NH2 ARG A 113 -17.106 2.674 5.285 1.00 0.00 N ATOM 0 H ARG A 113 -13.239 3.480 -0.608 1.00 0.00 H new ATOM 0 HA ARG A 113 -14.789 5.323 0.875 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -11.958 4.262 1.013 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -12.483 5.529 2.104 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -14.005 2.921 1.828 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -12.653 3.096 2.930 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -13.785 4.586 4.320 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -14.813 5.182 3.032 1.00 0.00 H new ATOM 0 HE ARG A 113 -15.613 2.545 3.299 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -15.228 5.280 5.499 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -16.518 4.742 6.579 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -17.269 1.861 4.691 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -17.669 2.815 6.124 1.00 0.00 H new ATOM 1794 N PHE A 114 -12.139 6.608 -0.650 1.00 0.00 N ATOM 1795 CA PHE A 114 -11.579 7.849 -1.171 1.00 0.00 C ATOM 1796 C PHE A 114 -12.661 8.703 -1.824 1.00 0.00 C ATOM 1797 O PHE A 114 -12.658 9.928 -1.702 1.00 0.00 O ATOM 1798 CB PHE A 114 -10.471 7.548 -2.183 1.00 0.00 C ATOM 1799 CG PHE A 114 -9.533 8.700 -2.406 1.00 0.00 C ATOM 1800 CD1 PHE A 114 -8.835 9.257 -1.346 1.00 0.00 C ATOM 1801 CD2 PHE A 114 -9.351 9.227 -3.674 1.00 0.00 C ATOM 1802 CE1 PHE A 114 -7.971 10.317 -1.548 1.00 0.00 C ATOM 1803 CE2 PHE A 114 -8.488 10.286 -3.882 1.00 0.00 C ATOM 1804 CZ PHE A 114 -7.798 10.833 -2.818 1.00 0.00 C ATOM 0 H PHE A 114 -11.542 5.791 -0.775 1.00 0.00 H new ATOM 0 HA PHE A 114 -11.157 8.407 -0.335 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -9.900 6.686 -1.838 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -10.925 7.270 -3.134 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -8.968 8.858 -0.351 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -9.890 8.805 -4.510 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -7.432 10.741 -0.714 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -8.353 10.686 -4.876 1.00 0.00 H new ATOM 0 HZ PHE A 114 -7.125 11.662 -2.978 1.00 0.00 H new ATOM 1814 N ALA A 115 -13.586 8.047 -2.518 1.00 0.00 N ATOM 1815 CA ALA A 115 -14.675 8.745 -3.189 1.00 0.00 C ATOM 1816 C ALA A 115 -15.755 9.161 -2.196 1.00 0.00 C ATOM 1817 O ALA A 115 -16.248 10.289 -2.234 1.00 0.00 O ATOM 1818 CB ALA A 115 -15.269 7.869 -4.282 1.00 0.00 C ATOM 0 H ALA A 115 -13.602 7.033 -2.630 1.00 0.00 H new ATOM 0 HA ALA A 115 -14.269 9.649 -3.643 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -16.081 8.403 -4.775 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -14.498 7.627 -5.013 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -15.654 6.949 -3.842 1.00 0.00 H new ATOM 1824 N LYS A 116 -16.121 8.242 -1.308 1.00 0.00 N ATOM 1825 CA LYS A 116 -17.143 8.513 -0.304 1.00 0.00 C ATOM 1826 C LYS A 116 -16.970 9.909 0.286 1.00 0.00 C ATOM 1827 O LYS A 116 -17.930 10.673 0.385 1.00 0.00 O ATOM 1828 CB LYS A 116 -17.081 7.466 0.811 1.00 0.00 C ATOM 1829 CG LYS A 116 -17.741 6.148 0.445 1.00 0.00 C ATOM 1830 CD LYS A 116 -19.251 6.289 0.348 1.00 0.00 C ATOM 1831 CE LYS A 116 -19.956 4.988 0.702 1.00 0.00 C ATOM 1832 NZ LYS A 116 -21.409 5.195 0.952 1.00 0.00 N ATOM 0 H LYS A 116 -15.725 7.303 -1.264 1.00 0.00 H new ATOM 0 HA LYS A 116 -18.117 8.461 -0.790 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -16.038 7.281 1.067 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -17.562 7.868 1.703 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -17.346 5.794 -0.507 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -17.492 5.395 1.193 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -19.587 7.080 1.018 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -19.525 6.589 -0.663 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -19.825 4.272 -0.109 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -19.493 4.554 1.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -21.853 4.285 1.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -21.534 5.859 1.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -21.856 5.586 0.098 1.00 0.00 H new ATOM 1846 N MET A 117 -15.742 10.235 0.674 1.00 0.00 N ATOM 1847 CA MET A 117 -15.445 11.541 1.250 1.00 0.00 C ATOM 1848 C MET A 117 -16.108 12.655 0.446 1.00 0.00 C ATOM 1849 O MET A 117 -16.806 13.505 1.001 1.00 0.00 O ATOM 1850 CB MET A 117 -13.932 11.767 1.304 1.00 0.00 C ATOM 1851 CG MET A 117 -13.516 12.874 2.259 1.00 0.00 C ATOM 1852 SD MET A 117 -12.005 13.708 1.740 1.00 0.00 S ATOM 1853 CE MET A 117 -10.882 12.319 1.603 1.00 0.00 C ATOM 0 H MET A 117 -14.937 9.613 0.600 1.00 0.00 H new ATOM 0 HA MET A 117 -15.845 11.561 2.264 1.00 0.00 H new ATOM 0 HB2 MET A 117 -13.445 10.839 1.603 1.00 0.00 H new ATOM 0 HB3 MET A 117 -13.573 12.008 0.303 1.00 0.00 H new ATOM 0 HG2 MET A 117 -14.322 13.604 2.335 1.00 0.00 H new ATOM 0 HG3 MET A 117 -13.371 12.454 3.254 1.00 0.00 H new ATOM 0 HE1 MET A 117 -10.227 12.464 0.744 1.00 0.00 H new ATOM 0 HE2 MET A 117 -10.281 12.246 2.509 1.00 0.00 H new ATOM 0 HE3 MET A 117 -11.454 11.400 1.472 1.00 0.00 H new