USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 914 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 111 ASN : amide:sc= -0.288 K(o=0.6,f=1.2) USER MOD Set 1.2: A 112 ASN : amide:sc= 0.893 K(o=0.6,f=-0.94) USER MOD Set 2.1: A 6 SER OG : rot -34:sc= 0.572 USER MOD Set 2.2: A 54 MET CE :methyl -168:sc= -0.482 (180deg=-0.593) USER MOD Set 2.3: A 71 GLN : amide:sc= -0.178 X(o=-0.088,f=0.22) USER MOD Single : A 7 THR OG1 : rot -75:sc= 1.21 USER MOD Single : A 8 THR OG1 : rot 180:sc=0.000288 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 77:sc= 0.444 USER MOD Single : A 20 SER OG : rot 80:sc= 0.194 USER MOD Single : A 21 SER OG : rot -107:sc= 1.21 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.013) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -174:sc= 1.12 (180deg=1.05) USER MOD Single : A 42 THR OG1 : rot 90:sc= 1.31 USER MOD Single : A 43 THR OG1 : rot 92:sc= 0.279 USER MOD Single : A 44 MET CE :methyl -167:sc= 0 (180deg=-0.0852) USER MOD Single : A 46 TYR OH : rot 180:sc=-0.00762 USER MOD Single : A 48 LYS NZ :NH3+ -128:sc= 0.981 (180deg=-0.00294) USER MOD Single : A 52 ASN : amide:sc= -0.812 K(o=-0.81,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -168:sc= -0.0021 (180deg=-0.179) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 1.09 K(o=1.1,f=-1.4) USER MOD Single : A 70 HIS : no HD1:sc= -1.3 K(o=-1.3,f=0.39) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 THR OG1 : rot 84:sc= 0.0412 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 168:sc= -0.0198 (180deg=-0.192) USER MOD Single : A 92 ASN : amide:sc=-0.00522 K(o=-0.0052,f=-0.88) USER MOD Single : A 93 THR OG1 : rot -145:sc= 1.05 USER MOD Single : A 95 ASN : amide:sc=-0.00366 K(o=-0.0037,f=-1.4) USER MOD Single : A 96 ASN : amide:sc= -0.581 K(o=-0.58,f=-11!) USER MOD Single : A 99 HIS : no HE2:sc= 0.735 K(o=0.74,f=-2.4!) USER MOD Single : A 106 LYS NZ :NH3+ -176:sc= 1.28 (180deg=1.17) USER MOD Single : A 109 GLN : amide:sc= -0.428 K(o=-0.43,f=-1.8!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 81:sc= -2.68! USER MOD Single : A 121 LYS NZ :NH3+ 169:sc= -0.0264 (180deg=-0.169) USER MOD ----------------------------------------------------------------- ATOM 85 N SER A 6 6.436 9.433 -4.310 1.00 0.00 N ATOM 86 CA SER A 6 5.167 10.081 -4.063 1.00 0.00 C ATOM 87 C SER A 6 5.163 10.743 -2.691 1.00 0.00 C ATOM 88 O SER A 6 5.228 10.065 -1.665 1.00 0.00 O ATOM 89 CB SER A 6 4.044 9.052 -4.164 1.00 0.00 C ATOM 90 OG SER A 6 4.316 7.929 -3.343 1.00 0.00 O ATOM 0 HA SER A 6 5.010 10.857 -4.812 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.100 9.507 -3.865 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.930 8.732 -5.200 1.00 0.00 H new ATOM 0 HG SER A 6 5.282 7.763 -3.325 1.00 0.00 H new ATOM 96 N THR A 7 5.110 12.064 -2.674 1.00 0.00 N ATOM 97 CA THR A 7 5.063 12.795 -1.423 1.00 0.00 C ATOM 98 C THR A 7 3.636 12.844 -0.884 1.00 0.00 C ATOM 99 O THR A 7 2.705 12.390 -1.553 1.00 0.00 O ATOM 100 CB THR A 7 5.606 14.225 -1.594 1.00 0.00 C ATOM 101 OG1 THR A 7 4.819 14.942 -2.558 1.00 0.00 O ATOM 102 CG2 THR A 7 7.059 14.196 -2.042 1.00 0.00 C ATOM 0 H THR A 7 5.099 12.649 -3.510 1.00 0.00 H new ATOM 0 HA THR A 7 5.696 12.269 -0.708 1.00 0.00 H new ATOM 0 HB THR A 7 5.544 14.731 -0.631 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.037 14.625 -3.459 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.425 15.216 -2.157 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.660 13.677 -1.295 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.135 13.673 -2.995 1.00 0.00 H new ATOM 110 N THR A 8 3.461 13.386 0.315 1.00 0.00 N ATOM 111 CA THR A 8 2.141 13.482 0.918 1.00 0.00 C ATOM 112 C THR A 8 1.172 14.241 0.004 1.00 0.00 C ATOM 113 O THR A 8 0.018 13.835 -0.166 1.00 0.00 O ATOM 114 CB THR A 8 2.213 14.175 2.291 1.00 0.00 C ATOM 115 OG1 THR A 8 3.302 13.637 3.055 1.00 0.00 O ATOM 116 CG2 THR A 8 0.919 13.978 3.062 1.00 0.00 C ATOM 0 H THR A 8 4.216 13.765 0.887 1.00 0.00 H new ATOM 0 HA THR A 8 1.769 12.467 1.055 1.00 0.00 H new ATOM 0 HB THR A 8 2.369 15.241 2.126 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.343 14.084 3.926 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.992 14.476 4.029 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.090 14.404 2.496 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.745 12.913 3.215 1.00 0.00 H new ATOM 124 N GLU A 9 1.663 15.318 -0.608 1.00 0.00 N ATOM 125 CA GLU A 9 0.865 16.111 -1.535 1.00 0.00 C ATOM 126 C GLU A 9 0.376 15.253 -2.697 1.00 0.00 C ATOM 127 O GLU A 9 -0.814 15.248 -3.021 1.00 0.00 O ATOM 128 CB GLU A 9 1.659 17.303 -2.082 1.00 0.00 C ATOM 129 CG GLU A 9 1.990 18.367 -1.046 1.00 0.00 C ATOM 130 CD GLU A 9 2.999 17.896 -0.022 1.00 0.00 C ATOM 131 OE1 GLU A 9 2.595 17.597 1.120 1.00 0.00 O ATOM 132 OE2 GLU A 9 4.197 17.813 -0.357 1.00 0.00 O ATOM 0 H GLU A 9 2.615 15.661 -0.476 1.00 0.00 H new ATOM 0 HA GLU A 9 0.008 16.490 -0.979 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.588 16.936 -2.517 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.089 17.764 -2.889 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.378 19.251 -1.552 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.075 18.668 -0.536 1.00 0.00 H new ATOM 139 N ASP A 10 1.298 14.512 -3.309 1.00 0.00 N ATOM 140 CA ASP A 10 0.957 13.655 -4.439 1.00 0.00 C ATOM 141 C ASP A 10 -0.048 12.605 -4.007 1.00 0.00 C ATOM 142 O ASP A 10 -0.989 12.293 -4.735 1.00 0.00 O ATOM 143 CB ASP A 10 2.191 12.957 -5.017 1.00 0.00 C ATOM 144 CG ASP A 10 3.299 13.916 -5.394 1.00 0.00 C ATOM 145 OD1 ASP A 10 3.081 14.777 -6.272 1.00 0.00 O ATOM 146 OD2 ASP A 10 4.403 13.800 -4.819 1.00 0.00 O ATOM 0 H ASP A 10 2.282 14.489 -3.042 1.00 0.00 H new ATOM 0 HA ASP A 10 0.529 14.292 -5.213 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.571 12.242 -4.287 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.898 12.387 -5.898 1.00 0.00 H new ATOM 151 N LEU A 11 0.147 12.077 -2.804 1.00 0.00 N ATOM 152 CA LEU A 11 -0.722 11.042 -2.280 1.00 0.00 C ATOM 153 C LEU A 11 -2.147 11.558 -2.127 1.00 0.00 C ATOM 154 O LEU A 11 -3.099 10.863 -2.466 1.00 0.00 O ATOM 155 CB LEU A 11 -0.194 10.496 -0.949 1.00 0.00 C ATOM 156 CG LEU A 11 -1.056 9.401 -0.331 1.00 0.00 C ATOM 157 CD1 LEU A 11 -1.119 8.199 -1.257 1.00 0.00 C ATOM 158 CD2 LEU A 11 -0.514 8.996 1.029 1.00 0.00 C ATOM 0 H LEU A 11 0.902 12.352 -2.176 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.732 10.221 -2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.812 10.106 -1.104 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.111 11.320 -0.240 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.065 9.790 -0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.737 7.423 -0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.552 8.498 -2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.113 7.812 -1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.143 8.214 1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.504 8.623 0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.513 9.861 1.693 1.00 0.00 H new ATOM 170 N GLN A 12 -2.288 12.801 -1.661 1.00 0.00 N ATOM 171 CA GLN A 12 -3.609 13.404 -1.471 1.00 0.00 C ATOM 172 C GLN A 12 -4.342 13.509 -2.801 1.00 0.00 C ATOM 173 O GLN A 12 -5.569 13.419 -2.860 1.00 0.00 O ATOM 174 CB GLN A 12 -3.496 14.794 -0.842 1.00 0.00 C ATOM 175 CG GLN A 12 -3.004 14.802 0.595 1.00 0.00 C ATOM 176 CD GLN A 12 -2.991 16.196 1.187 1.00 0.00 C ATOM 177 OE1 GLN A 12 -2.808 17.184 0.477 1.00 0.00 O ATOM 178 NE2 GLN A 12 -3.190 16.290 2.490 1.00 0.00 N ATOM 0 H GLN A 12 -1.507 13.407 -1.409 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.172 12.759 -0.796 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.819 15.398 -1.447 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.473 15.276 -0.880 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.643 14.158 1.200 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.999 14.382 0.636 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.338 15.447 3.045 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.195 17.205 2.940 1.00 0.00 H new ATOM 187 N ARG A 13 -3.578 13.684 -3.865 1.00 0.00 N ATOM 188 CA ARG A 13 -4.135 13.773 -5.199 1.00 0.00 C ATOM 189 C ARG A 13 -4.705 12.424 -5.619 1.00 0.00 C ATOM 190 O ARG A 13 -5.843 12.340 -6.078 1.00 0.00 O ATOM 191 CB ARG A 13 -3.060 14.228 -6.185 1.00 0.00 C ATOM 192 CG ARG A 13 -3.555 14.395 -7.612 1.00 0.00 C ATOM 193 CD ARG A 13 -2.427 14.824 -8.529 1.00 0.00 C ATOM 194 NE ARG A 13 -2.862 14.951 -9.915 1.00 0.00 N ATOM 195 CZ ARG A 13 -2.096 15.430 -10.890 1.00 0.00 C ATOM 196 NH1 ARG A 13 -0.857 15.837 -10.630 1.00 0.00 N ATOM 197 NH2 ARG A 13 -2.570 15.499 -12.128 1.00 0.00 N ATOM 0 H ARG A 13 -2.562 13.768 -3.828 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.941 14.506 -5.199 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.646 15.176 -5.842 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.245 13.504 -6.177 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.980 13.456 -7.966 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.354 15.136 -7.640 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.026 15.778 -8.187 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.616 14.098 -8.469 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.809 14.655 -10.150 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.491 15.782 -9.679 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.273 16.204 -11.381 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.519 15.185 -12.329 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.985 15.866 -12.878 1.00 0.00 H new ATOM 211 N TYR A 14 -3.923 11.365 -5.419 1.00 0.00 N ATOM 212 CA TYR A 14 -4.325 10.031 -5.847 1.00 0.00 C ATOM 213 C TYR A 14 -5.536 9.533 -5.066 1.00 0.00 C ATOM 214 O TYR A 14 -6.379 8.832 -5.623 1.00 0.00 O ATOM 215 CB TYR A 14 -3.171 9.034 -5.719 1.00 0.00 C ATOM 216 CG TYR A 14 -1.968 9.387 -6.570 1.00 0.00 C ATOM 217 CD1 TYR A 14 -0.692 9.460 -6.026 1.00 0.00 C ATOM 218 CD2 TYR A 14 -2.115 9.649 -7.925 1.00 0.00 C ATOM 219 CE1 TYR A 14 0.401 9.782 -6.809 1.00 0.00 C ATOM 220 CE2 TYR A 14 -1.028 9.970 -8.713 1.00 0.00 C ATOM 221 CZ TYR A 14 0.227 10.034 -8.152 1.00 0.00 C ATOM 222 OH TYR A 14 1.312 10.351 -8.937 1.00 0.00 O ATOM 0 H TYR A 14 -3.011 11.406 -4.965 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.603 10.105 -6.898 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.863 8.979 -4.675 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.526 8.042 -6.000 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.551 9.262 -4.974 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.097 9.601 -8.371 1.00 0.00 H new ATOM 0 HE1 TYR A 14 1.386 9.836 -6.370 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.162 10.170 -9.766 1.00 0.00 H new ATOM 0 HH TYR A 14 1.016 10.498 -9.860 1.00 0.00 H new ATOM 232 N ARG A 15 -5.633 9.897 -3.783 1.00 0.00 N ATOM 233 CA ARG A 15 -6.792 9.510 -2.985 1.00 0.00 C ATOM 234 C ARG A 15 -8.056 10.024 -3.655 1.00 0.00 C ATOM 235 O ARG A 15 -8.996 9.273 -3.885 1.00 0.00 O ATOM 236 CB ARG A 15 -6.753 10.071 -1.555 1.00 0.00 C ATOM 237 CG ARG A 15 -5.395 10.059 -0.864 1.00 0.00 C ATOM 238 CD ARG A 15 -5.544 10.344 0.629 1.00 0.00 C ATOM 239 NE ARG A 15 -4.316 10.872 1.236 1.00 0.00 N ATOM 240 CZ ARG A 15 -3.825 10.456 2.408 1.00 0.00 C ATOM 241 NH1 ARG A 15 -4.284 9.350 2.979 1.00 0.00 N ATOM 242 NH2 ARG A 15 -2.825 11.116 2.980 1.00 0.00 N ATOM 0 H ARG A 15 -4.934 10.449 -3.285 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.779 8.422 -2.921 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.115 11.099 -1.580 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.453 9.501 -0.944 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.917 9.090 -1.008 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.744 10.806 -1.318 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.353 11.059 0.778 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.831 9.426 1.142 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.807 11.599 0.734 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.018 8.808 2.524 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.902 9.042 3.873 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.432 11.940 2.525 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.450 10.799 3.874 1.00 0.00 H new ATOM 256 N THR A 16 -8.046 11.307 -3.990 1.00 0.00 N ATOM 257 CA THR A 16 -9.190 11.967 -4.603 1.00 0.00 C ATOM 258 C THR A 16 -9.584 11.308 -5.926 1.00 0.00 C ATOM 259 O THR A 16 -10.766 11.071 -6.180 1.00 0.00 O ATOM 260 CB THR A 16 -8.876 13.451 -4.857 1.00 0.00 C ATOM 261 OG1 THR A 16 -8.135 13.990 -3.750 1.00 0.00 O ATOM 262 CG2 THR A 16 -10.156 14.246 -5.041 1.00 0.00 C ATOM 0 H THR A 16 -7.244 11.920 -3.844 1.00 0.00 H new ATOM 0 HA THR A 16 -10.025 11.875 -3.908 1.00 0.00 H new ATOM 0 HB THR A 16 -8.281 13.525 -5.768 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.203 13.692 -3.804 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.911 15.293 -5.219 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.710 13.852 -5.893 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.767 14.164 -4.142 1.00 0.00 H new ATOM 270 N GLU A 17 -8.596 11.010 -6.761 1.00 0.00 N ATOM 271 CA GLU A 17 -8.856 10.396 -8.063 1.00 0.00 C ATOM 272 C GLU A 17 -9.449 9.000 -7.903 1.00 0.00 C ATOM 273 O GLU A 17 -10.265 8.571 -8.716 1.00 0.00 O ATOM 274 CB GLU A 17 -7.581 10.328 -8.910 1.00 0.00 C ATOM 275 CG GLU A 17 -6.789 11.625 -8.914 1.00 0.00 C ATOM 276 CD GLU A 17 -7.603 12.792 -9.437 1.00 0.00 C ATOM 277 OE1 GLU A 17 -7.594 13.020 -10.665 1.00 0.00 O ATOM 278 OE2 GLU A 17 -8.266 13.478 -8.626 1.00 0.00 O ATOM 0 H GLU A 17 -7.610 11.182 -6.564 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.581 11.026 -8.579 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.947 9.525 -8.535 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.848 10.071 -9.935 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.451 11.845 -7.901 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.897 11.502 -9.528 1.00 0.00 H new ATOM 285 N CYS A 18 -9.060 8.302 -6.850 1.00 0.00 N ATOM 286 CA CYS A 18 -9.586 6.970 -6.591 1.00 0.00 C ATOM 287 C CYS A 18 -10.936 7.041 -5.892 1.00 0.00 C ATOM 288 O CYS A 18 -11.786 6.173 -6.074 1.00 0.00 O ATOM 289 CB CYS A 18 -8.598 6.156 -5.765 1.00 0.00 C ATOM 290 SG CYS A 18 -7.034 5.831 -6.637 1.00 0.00 S ATOM 0 H CYS A 18 -8.384 8.633 -6.162 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.729 6.472 -7.550 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.386 6.687 -4.837 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -9.058 5.207 -5.491 1.00 0.00 H new ATOM 295 N VAL A 19 -11.139 8.094 -5.116 1.00 0.00 N ATOM 296 CA VAL A 19 -12.383 8.276 -4.393 1.00 0.00 C ATOM 297 C VAL A 19 -13.521 8.570 -5.357 1.00 0.00 C ATOM 298 O VAL A 19 -14.568 7.918 -5.324 1.00 0.00 O ATOM 299 CB VAL A 19 -12.272 9.399 -3.335 1.00 0.00 C ATOM 300 CG1 VAL A 19 -13.642 9.932 -2.956 1.00 0.00 C ATOM 301 CG2 VAL A 19 -11.549 8.884 -2.101 1.00 0.00 C ATOM 0 H VAL A 19 -10.455 8.836 -4.972 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.595 7.345 -3.867 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.699 10.219 -3.769 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.532 10.720 -2.211 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -14.133 10.336 -3.841 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -14.245 9.124 -2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.476 9.682 -1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.104 8.047 -1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.548 8.553 -2.377 1.00 0.00 H new ATOM 311 N SER A 20 -13.291 9.538 -6.230 1.00 0.00 N ATOM 312 CA SER A 20 -14.282 9.951 -7.205 1.00 0.00 C ATOM 313 C SER A 20 -14.641 8.813 -8.168 1.00 0.00 C ATOM 314 O SER A 20 -15.800 8.656 -8.547 1.00 0.00 O ATOM 315 CB SER A 20 -13.746 11.154 -7.978 1.00 0.00 C ATOM 316 OG SER A 20 -13.467 12.237 -7.102 1.00 0.00 O ATOM 0 H SER A 20 -12.414 10.057 -6.281 1.00 0.00 H new ATOM 0 HA SER A 20 -15.196 10.224 -6.677 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.840 10.872 -8.514 1.00 0.00 H new ATOM 0 HB3 SER A 20 -14.475 11.465 -8.726 1.00 0.00 H new ATOM 0 HG SER A 20 -12.605 12.087 -6.661 1.00 0.00 H new ATOM 322 N SER A 21 -13.654 8.002 -8.543 1.00 0.00 N ATOM 323 CA SER A 21 -13.874 6.958 -9.536 1.00 0.00 C ATOM 324 C SER A 21 -14.512 5.714 -8.916 1.00 0.00 C ATOM 325 O SER A 21 -15.485 5.181 -9.451 1.00 0.00 O ATOM 326 CB SER A 21 -12.554 6.596 -10.222 1.00 0.00 C ATOM 327 OG SER A 21 -11.531 6.339 -9.271 1.00 0.00 O ATOM 0 H SER A 21 -12.703 8.048 -8.177 1.00 0.00 H new ATOM 0 HA SER A 21 -14.569 7.347 -10.280 1.00 0.00 H new ATOM 0 HB2 SER A 21 -12.698 5.717 -10.851 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.247 7.411 -10.878 1.00 0.00 H new ATOM 0 HG SER A 21 -10.895 7.084 -9.265 1.00 0.00 H new ATOM 333 N LEU A 22 -13.988 5.264 -7.779 1.00 0.00 N ATOM 334 CA LEU A 22 -14.471 4.037 -7.153 1.00 0.00 C ATOM 335 C LEU A 22 -15.723 4.280 -6.313 1.00 0.00 C ATOM 336 O LEU A 22 -16.161 3.397 -5.578 1.00 0.00 O ATOM 337 CB LEU A 22 -13.379 3.412 -6.285 1.00 0.00 C ATOM 338 CG LEU A 22 -12.160 2.899 -7.047 1.00 0.00 C ATOM 339 CD1 LEU A 22 -11.105 2.397 -6.076 1.00 0.00 C ATOM 340 CD2 LEU A 22 -12.566 1.795 -8.006 1.00 0.00 C ATOM 0 H LEU A 22 -13.233 5.728 -7.275 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.734 3.348 -7.956 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.048 4.152 -5.557 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.812 2.584 -5.724 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.737 3.721 -7.624 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.241 2.034 -6.633 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.798 3.211 -5.420 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.518 1.585 -5.478 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.687 1.438 -8.543 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -13.008 0.971 -7.446 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.294 2.182 -8.719 1.00 0.00 H new ATOM 352 N ASN A 23 -16.287 5.483 -6.430 1.00 0.00 N ATOM 353 CA ASN A 23 -17.495 5.861 -5.689 1.00 0.00 C ATOM 354 C ASN A 23 -17.315 5.651 -4.187 1.00 0.00 C ATOM 355 O ASN A 23 -18.231 5.205 -3.497 1.00 0.00 O ATOM 356 CB ASN A 23 -18.711 5.072 -6.187 1.00 0.00 C ATOM 357 CG ASN A 23 -19.101 5.427 -7.608 1.00 0.00 C ATOM 358 OD1 ASN A 23 -18.635 4.813 -8.568 1.00 0.00 O ATOM 359 ND2 ASN A 23 -19.967 6.416 -7.753 1.00 0.00 N ATOM 0 H ASN A 23 -15.924 6.219 -7.036 1.00 0.00 H new ATOM 0 HA ASN A 23 -17.668 6.922 -5.868 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -18.494 4.005 -6.131 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -19.556 5.261 -5.525 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -20.272 6.694 -8.686 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -20.330 6.900 -6.932 1.00 0.00 H new ATOM 366 N ILE A 24 -16.125 5.968 -3.691 1.00 0.00 N ATOM 367 CA ILE A 24 -15.813 5.824 -2.278 1.00 0.00 C ATOM 368 C ILE A 24 -16.589 6.848 -1.453 1.00 0.00 C ATOM 369 O ILE A 24 -16.505 8.054 -1.705 1.00 0.00 O ATOM 370 CB ILE A 24 -14.303 6.006 -2.019 1.00 0.00 C ATOM 371 CG1 ILE A 24 -13.475 5.119 -2.962 1.00 0.00 C ATOM 372 CG2 ILE A 24 -13.973 5.689 -0.567 1.00 0.00 C ATOM 373 CD1 ILE A 24 -13.673 3.630 -2.752 1.00 0.00 C ATOM 0 H ILE A 24 -15.355 6.330 -4.254 1.00 0.00 H new ATOM 0 HA ILE A 24 -16.103 4.817 -1.979 1.00 0.00 H new ATOM 0 HB ILE A 24 -14.046 7.047 -2.217 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.731 5.366 -3.992 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.419 5.355 -2.830 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.904 5.822 -0.399 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.529 6.360 0.087 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.249 4.658 -0.348 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.053 3.077 -3.458 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.388 3.365 -1.734 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.721 3.376 -2.914 1.00 0.00 H new ATOM 385 N PRO A 25 -17.372 6.377 -0.472 1.00 0.00 N ATOM 386 CA PRO A 25 -18.132 7.248 0.428 1.00 0.00 C ATOM 387 C PRO A 25 -17.228 8.179 1.226 1.00 0.00 C ATOM 388 O PRO A 25 -16.137 7.796 1.663 1.00 0.00 O ATOM 389 CB PRO A 25 -18.850 6.277 1.366 1.00 0.00 C ATOM 390 CG PRO A 25 -18.819 4.959 0.682 1.00 0.00 C ATOM 391 CD PRO A 25 -17.582 4.953 -0.169 1.00 0.00 C ATOM 0 HA PRO A 25 -18.810 7.900 -0.123 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -18.352 6.227 2.334 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -19.875 6.598 1.551 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -18.796 4.145 1.407 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.711 4.817 0.072 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.731 4.525 0.361 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.721 4.365 -1.076 1.00 0.00 H new ATOM 399 N ALA A 26 -17.707 9.405 1.408 1.00 0.00 N ATOM 400 CA ALA A 26 -16.976 10.445 2.120 1.00 0.00 C ATOM 401 C ALA A 26 -16.638 10.019 3.543 1.00 0.00 C ATOM 402 O ALA A 26 -15.649 10.475 4.117 1.00 0.00 O ATOM 403 CB ALA A 26 -17.799 11.717 2.139 1.00 0.00 C ATOM 0 H ALA A 26 -18.619 9.706 1.063 1.00 0.00 H new ATOM 0 HA ALA A 26 -16.036 10.621 1.597 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.253 12.496 2.671 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.990 12.042 1.116 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -18.747 11.529 2.643 1.00 0.00 H new ATOM 409 N ASP A 27 -17.481 9.164 4.111 1.00 0.00 N ATOM 410 CA ASP A 27 -17.232 8.598 5.434 1.00 0.00 C ATOM 411 C ASP A 27 -15.887 7.876 5.474 1.00 0.00 C ATOM 412 O ASP A 27 -15.062 8.122 6.356 1.00 0.00 O ATOM 413 CB ASP A 27 -18.345 7.629 5.818 1.00 0.00 C ATOM 414 CG ASP A 27 -18.104 6.982 7.167 1.00 0.00 C ATOM 415 OD1 ASP A 27 -17.569 5.856 7.206 1.00 0.00 O ATOM 416 OD2 ASP A 27 -18.455 7.599 8.197 1.00 0.00 O ATOM 0 H ASP A 27 -18.346 8.846 3.675 1.00 0.00 H new ATOM 0 HA ASP A 27 -17.210 9.420 6.150 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -19.296 8.161 5.837 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.428 6.854 5.056 1.00 0.00 H new ATOM 421 N TYR A 28 -15.673 6.989 4.504 1.00 0.00 N ATOM 422 CA TYR A 28 -14.425 6.247 4.395 1.00 0.00 C ATOM 423 C TYR A 28 -13.232 7.186 4.243 1.00 0.00 C ATOM 424 O TYR A 28 -12.158 6.927 4.781 1.00 0.00 O ATOM 425 CB TYR A 28 -14.486 5.282 3.212 1.00 0.00 C ATOM 426 CG TYR A 28 -15.274 4.024 3.499 1.00 0.00 C ATOM 427 CD1 TYR A 28 -16.661 4.029 3.449 1.00 0.00 C ATOM 428 CD2 TYR A 28 -14.634 2.832 3.815 1.00 0.00 C ATOM 429 CE1 TYR A 28 -17.389 2.884 3.702 1.00 0.00 C ATOM 430 CE2 TYR A 28 -15.355 1.683 4.072 1.00 0.00 C ATOM 431 CZ TYR A 28 -16.732 1.715 4.013 1.00 0.00 C ATOM 432 OH TYR A 28 -17.456 0.568 4.256 1.00 0.00 O ATOM 0 H TYR A 28 -16.355 6.768 3.779 1.00 0.00 H new ATOM 0 HA TYR A 28 -14.292 5.679 5.316 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -14.932 5.794 2.359 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -13.471 5.008 2.925 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -17.180 4.945 3.208 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -13.555 2.804 3.860 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -18.468 2.905 3.656 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -14.843 0.764 4.318 1.00 0.00 H new ATOM 0 HH TYR A 28 -16.843 -0.169 4.460 1.00 0.00 H new ATOM 442 N VAL A 29 -13.434 8.277 3.515 1.00 0.00 N ATOM 443 CA VAL A 29 -12.387 9.267 3.289 1.00 0.00 C ATOM 444 C VAL A 29 -11.855 9.829 4.612 1.00 0.00 C ATOM 445 O VAL A 29 -10.644 9.996 4.785 1.00 0.00 O ATOM 446 CB VAL A 29 -12.898 10.412 2.400 1.00 0.00 C ATOM 447 CG1 VAL A 29 -11.811 11.449 2.173 1.00 0.00 C ATOM 448 CG2 VAL A 29 -13.389 9.857 1.075 1.00 0.00 C ATOM 0 H VAL A 29 -14.323 8.500 3.067 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.568 8.763 2.777 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.728 10.902 2.908 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.197 12.249 1.541 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.497 11.863 3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.957 10.980 1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.750 10.674 0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.570 9.347 0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.200 9.152 1.254 1.00 0.00 H new ATOM 458 N GLU A 30 -12.757 10.101 5.553 1.00 0.00 N ATOM 459 CA GLU A 30 -12.356 10.611 6.866 1.00 0.00 C ATOM 460 C GLU A 30 -11.525 9.578 7.618 1.00 0.00 C ATOM 461 O GLU A 30 -10.648 9.931 8.411 1.00 0.00 O ATOM 462 CB GLU A 30 -13.565 10.999 7.710 1.00 0.00 C ATOM 463 CG GLU A 30 -14.624 11.744 6.930 1.00 0.00 C ATOM 464 CD GLU A 30 -15.581 12.494 7.828 1.00 0.00 C ATOM 465 OE1 GLU A 30 -16.689 11.981 8.097 1.00 0.00 O ATOM 466 OE2 GLU A 30 -15.225 13.602 8.279 1.00 0.00 O ATOM 0 H GLU A 30 -13.763 9.979 5.434 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.753 11.502 6.692 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.005 10.098 8.138 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.234 11.619 8.543 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.143 12.446 6.249 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.184 11.038 6.317 1.00 0.00 H new ATOM 473 N LYS A 31 -11.808 8.306 7.376 1.00 0.00 N ATOM 474 CA LYS A 31 -11.038 7.229 7.985 1.00 0.00 C ATOM 475 C LYS A 31 -9.608 7.241 7.459 1.00 0.00 C ATOM 476 O LYS A 31 -8.654 7.313 8.230 1.00 0.00 O ATOM 477 CB LYS A 31 -11.664 5.865 7.700 1.00 0.00 C ATOM 478 CG LYS A 31 -13.072 5.704 8.247 1.00 0.00 C ATOM 479 CD LYS A 31 -13.590 4.294 8.011 1.00 0.00 C ATOM 480 CE LYS A 31 -15.038 4.151 8.458 1.00 0.00 C ATOM 481 NZ LYS A 31 -15.167 4.220 9.936 1.00 0.00 N ATOM 0 H LYS A 31 -12.562 7.994 6.764 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.038 7.395 9.062 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.684 5.704 6.622 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.029 5.089 8.127 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.079 5.924 9.315 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -13.736 6.424 7.769 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.509 4.048 6.952 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.968 3.581 8.553 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.639 4.939 8.003 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.436 3.201 8.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -16.157 4.051 10.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.561 3.496 10.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.874 5.161 10.267 1.00 0.00 H new ATOM 495 N PHE A 32 -9.479 7.194 6.136 1.00 0.00 N ATOM 496 CA PHE A 32 -8.179 7.150 5.472 1.00 0.00 C ATOM 497 C PHE A 32 -7.312 8.343 5.869 1.00 0.00 C ATOM 498 O PHE A 32 -6.105 8.210 6.077 1.00 0.00 O ATOM 499 CB PHE A 32 -8.361 7.128 3.953 1.00 0.00 C ATOM 500 CG PHE A 32 -9.272 6.034 3.466 1.00 0.00 C ATOM 501 CD1 PHE A 32 -10.141 6.254 2.408 1.00 0.00 C ATOM 502 CD2 PHE A 32 -9.264 4.787 4.068 1.00 0.00 C ATOM 503 CE1 PHE A 32 -10.979 5.251 1.961 1.00 0.00 C ATOM 504 CE2 PHE A 32 -10.100 3.783 3.626 1.00 0.00 C ATOM 505 CZ PHE A 32 -10.959 4.014 2.571 1.00 0.00 C ATOM 0 H PHE A 32 -10.272 7.185 5.494 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.674 6.238 5.790 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.759 8.090 3.630 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.385 7.012 3.481 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.163 7.221 1.928 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.595 4.598 4.894 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.649 5.435 1.135 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.082 2.816 4.106 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.614 3.228 2.224 1.00 0.00 H new ATOM 515 N LYS A 33 -7.948 9.500 6.000 1.00 0.00 N ATOM 516 CA LYS A 33 -7.257 10.727 6.372 1.00 0.00 C ATOM 517 C LYS A 33 -6.646 10.607 7.772 1.00 0.00 C ATOM 518 O LYS A 33 -5.706 11.328 8.112 1.00 0.00 O ATOM 519 CB LYS A 33 -8.232 11.905 6.317 1.00 0.00 C ATOM 520 CG LYS A 33 -7.541 13.245 6.116 1.00 0.00 C ATOM 521 CD LYS A 33 -8.535 14.362 5.822 1.00 0.00 C ATOM 522 CE LYS A 33 -9.491 14.599 6.981 1.00 0.00 C ATOM 523 NZ LYS A 33 -10.460 15.689 6.688 1.00 0.00 N ATOM 0 H LYS A 33 -8.951 9.614 5.852 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.446 10.899 5.664 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -8.941 11.744 5.505 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.808 11.935 7.242 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.968 13.495 7.009 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.830 13.166 5.293 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.992 15.282 5.607 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.106 14.112 4.928 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.034 13.679 7.197 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.921 14.851 7.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.093 15.819 7.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.943 16.573 6.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.022 15.438 5.849 1.00 0.00 H new ATOM 537 N LYS A 34 -7.174 9.685 8.575 1.00 0.00 N ATOM 538 CA LYS A 34 -6.664 9.460 9.922 1.00 0.00 C ATOM 539 C LYS A 34 -5.952 8.113 10.022 1.00 0.00 C ATOM 540 O LYS A 34 -5.784 7.572 11.117 1.00 0.00 O ATOM 541 CB LYS A 34 -7.794 9.531 10.947 1.00 0.00 C ATOM 542 CG LYS A 34 -8.403 10.915 11.100 1.00 0.00 C ATOM 543 CD LYS A 34 -9.313 10.999 12.320 1.00 0.00 C ATOM 544 CE LYS A 34 -10.448 9.986 12.263 1.00 0.00 C ATOM 545 NZ LYS A 34 -11.332 10.192 11.085 1.00 0.00 N ATOM 0 H LYS A 34 -7.955 9.083 8.314 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.943 10.248 10.139 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.577 8.830 10.658 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.414 9.203 11.915 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.607 11.655 11.188 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.972 11.163 10.204 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.724 10.832 13.222 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.729 12.004 12.392 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.032 8.979 12.230 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.040 10.056 13.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.145 9.546 11.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.671 11.175 11.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.799 9.999 10.213 1.00 0.00 H new ATOM 559 N TRP A 35 -5.533 7.592 8.870 1.00 0.00 N ATOM 560 CA TRP A 35 -4.833 6.307 8.786 1.00 0.00 C ATOM 561 C TRP A 35 -5.671 5.154 9.349 1.00 0.00 C ATOM 562 O TRP A 35 -5.183 4.337 10.136 1.00 0.00 O ATOM 563 CB TRP A 35 -3.488 6.383 9.511 1.00 0.00 C ATOM 564 CG TRP A 35 -2.508 7.308 8.860 1.00 0.00 C ATOM 565 CD1 TRP A 35 -2.296 8.621 9.165 1.00 0.00 C ATOM 566 CD2 TRP A 35 -1.603 6.992 7.795 1.00 0.00 C ATOM 567 NE1 TRP A 35 -1.319 9.141 8.355 1.00 0.00 N ATOM 568 CE2 TRP A 35 -0.877 8.162 7.506 1.00 0.00 C ATOM 569 CE3 TRP A 35 -1.336 5.835 7.058 1.00 0.00 C ATOM 570 CZ2 TRP A 35 0.096 8.208 6.513 1.00 0.00 C ATOM 571 CZ3 TRP A 35 -0.370 5.880 6.074 1.00 0.00 C ATOM 572 CH2 TRP A 35 0.338 7.059 5.808 1.00 0.00 C ATOM 0 H TRP A 35 -5.668 8.047 7.967 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.662 6.102 7.729 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.656 6.709 10.537 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.054 5.384 9.561 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.821 9.171 9.932 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.977 10.102 8.381 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.877 4.921 7.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.641 9.117 6.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.156 4.991 5.499 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.089 7.062 5.032 1.00 0.00 H new ATOM 583 N GLU A 36 -6.927 5.087 8.940 1.00 0.00 N ATOM 584 CA GLU A 36 -7.817 4.019 9.364 1.00 0.00 C ATOM 585 C GLU A 36 -8.340 3.262 8.154 1.00 0.00 C ATOM 586 O GLU A 36 -9.130 3.789 7.371 1.00 0.00 O ATOM 587 CB GLU A 36 -8.979 4.577 10.180 1.00 0.00 C ATOM 588 CG GLU A 36 -8.556 5.193 11.497 1.00 0.00 C ATOM 589 CD GLU A 36 -9.729 5.700 12.304 1.00 0.00 C ATOM 590 OE1 GLU A 36 -10.585 4.878 12.691 1.00 0.00 O ATOM 591 OE2 GLU A 36 -9.799 6.918 12.569 1.00 0.00 O ATOM 0 H GLU A 36 -7.356 5.765 8.310 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.254 3.331 9.995 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.500 5.329 9.587 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.692 3.776 10.376 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.010 4.452 12.082 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.869 6.017 11.305 1.00 0.00 H new ATOM 598 N PHE A 37 -7.879 2.034 7.997 1.00 0.00 N ATOM 599 CA PHE A 37 -8.245 1.222 6.843 1.00 0.00 C ATOM 600 C PHE A 37 -9.046 -0.005 7.272 1.00 0.00 C ATOM 601 O PHE A 37 -8.475 -0.985 7.752 1.00 0.00 O ATOM 602 CB PHE A 37 -6.980 0.783 6.094 1.00 0.00 C ATOM 603 CG PHE A 37 -6.073 1.930 5.737 1.00 0.00 C ATOM 604 CD1 PHE A 37 -6.153 2.544 4.495 1.00 0.00 C ATOM 605 CD2 PHE A 37 -5.147 2.405 6.654 1.00 0.00 C ATOM 606 CE1 PHE A 37 -5.327 3.605 4.180 1.00 0.00 C ATOM 607 CE2 PHE A 37 -4.319 3.463 6.342 1.00 0.00 C ATOM 608 CZ PHE A 37 -4.409 4.066 5.102 1.00 0.00 C ATOM 0 H PHE A 37 -7.249 1.574 8.654 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.868 1.824 6.182 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.430 0.071 6.710 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.269 0.259 5.183 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.868 2.189 3.768 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.073 1.940 7.626 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.399 4.075 3.210 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.601 3.820 7.066 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.763 4.896 4.855 1.00 0.00 H new ATOM 618 N PRO A 38 -10.383 0.042 7.137 1.00 0.00 N ATOM 619 CA PRO A 38 -11.245 -1.109 7.419 1.00 0.00 C ATOM 620 C PRO A 38 -10.984 -2.273 6.474 1.00 0.00 C ATOM 621 O PRO A 38 -10.668 -2.088 5.298 1.00 0.00 O ATOM 622 CB PRO A 38 -12.660 -0.572 7.206 1.00 0.00 C ATOM 623 CG PRO A 38 -12.527 0.906 7.294 1.00 0.00 C ATOM 624 CD PRO A 38 -11.172 1.215 6.722 1.00 0.00 C ATOM 0 HA PRO A 38 -11.070 -1.500 8.421 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.056 -0.876 6.237 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.345 -0.953 7.964 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.315 1.406 6.731 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.606 1.248 8.326 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.203 1.322 5.638 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.763 2.143 7.122 1.00 0.00 H new ATOM 632 N GLU A 39 -11.120 -3.472 7.002 1.00 0.00 N ATOM 633 CA GLU A 39 -10.919 -4.674 6.221 1.00 0.00 C ATOM 634 C GLU A 39 -12.204 -5.031 5.480 1.00 0.00 C ATOM 635 O GLU A 39 -12.969 -5.902 5.905 1.00 0.00 O ATOM 636 CB GLU A 39 -10.472 -5.812 7.134 1.00 0.00 C ATOM 637 CG GLU A 39 -9.968 -7.037 6.393 1.00 0.00 C ATOM 638 CD GLU A 39 -9.532 -8.139 7.327 1.00 0.00 C ATOM 639 OE1 GLU A 39 -10.333 -9.065 7.570 1.00 0.00 O ATOM 640 OE2 GLU A 39 -8.387 -8.091 7.823 1.00 0.00 O ATOM 0 H GLU A 39 -11.371 -3.640 7.976 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.138 -4.504 5.480 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.683 -5.448 7.792 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.308 -6.103 7.770 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.755 -7.411 5.738 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.131 -6.753 5.756 1.00 0.00 H new ATOM 647 N ASP A 40 -12.436 -4.336 4.375 1.00 0.00 N ATOM 648 CA ASP A 40 -13.644 -4.520 3.577 1.00 0.00 C ATOM 649 C ASP A 40 -13.362 -4.202 2.110 1.00 0.00 C ATOM 650 O ASP A 40 -12.410 -3.476 1.818 1.00 0.00 O ATOM 651 CB ASP A 40 -14.788 -3.633 4.095 1.00 0.00 C ATOM 652 CG ASP A 40 -14.792 -2.245 3.477 1.00 0.00 C ATOM 653 OD1 ASP A 40 -14.061 -1.363 3.976 1.00 0.00 O ATOM 654 OD2 ASP A 40 -15.541 -2.034 2.498 1.00 0.00 O ATOM 0 H ASP A 40 -11.797 -3.632 4.006 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.951 -5.562 3.665 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.741 -4.120 3.886 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.707 -3.542 5.178 1.00 0.00 H new ATOM 659 N ASP A 41 -14.177 -4.730 1.201 1.00 0.00 N ATOM 660 CA ASP A 41 -13.906 -4.629 -0.242 1.00 0.00 C ATOM 661 C ASP A 41 -13.660 -3.185 -0.699 1.00 0.00 C ATOM 662 O ASP A 41 -12.758 -2.937 -1.508 1.00 0.00 O ATOM 663 CB ASP A 41 -15.044 -5.256 -1.067 1.00 0.00 C ATOM 664 CG ASP A 41 -16.383 -4.569 -0.870 1.00 0.00 C ATOM 665 OD1 ASP A 41 -17.029 -4.794 0.176 1.00 0.00 O ATOM 666 OD2 ASP A 41 -16.805 -3.809 -1.765 1.00 0.00 O ATOM 0 H ASP A 41 -15.033 -5.234 1.432 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.987 -5.189 -0.418 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -14.778 -5.221 -2.124 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -15.141 -6.308 -0.798 1.00 0.00 H new ATOM 671 N THR A 42 -14.431 -2.238 -0.163 1.00 0.00 N ATOM 672 CA THR A 42 -14.329 -0.838 -0.565 1.00 0.00 C ATOM 673 C THR A 42 -12.909 -0.307 -0.356 1.00 0.00 C ATOM 674 O THR A 42 -12.264 0.174 -1.292 1.00 0.00 O ATOM 675 CB THR A 42 -15.305 0.030 0.247 1.00 0.00 C ATOM 676 OG1 THR A 42 -16.534 -0.678 0.458 1.00 0.00 O ATOM 677 CG2 THR A 42 -15.586 1.344 -0.464 1.00 0.00 C ATOM 0 H THR A 42 -15.135 -2.418 0.553 1.00 0.00 H new ATOM 0 HA THR A 42 -14.581 -0.785 -1.624 1.00 0.00 H new ATOM 0 HB THR A 42 -14.843 0.250 1.209 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.474 -1.198 1.286 1.00 0.00 H new ATOM 0 HG21 THR A 42 -16.279 1.939 0.131 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.654 1.894 -0.594 1.00 0.00 H new ATOM 0 HG23 THR A 42 -16.027 1.142 -1.440 1.00 0.00 H new ATOM 685 N THR A 43 -12.433 -0.415 0.878 1.00 0.00 N ATOM 686 CA THR A 43 -11.095 0.025 1.238 1.00 0.00 C ATOM 687 C THR A 43 -10.029 -0.734 0.444 1.00 0.00 C ATOM 688 O THR A 43 -9.005 -0.167 0.056 1.00 0.00 O ATOM 689 CB THR A 43 -10.852 -0.175 2.744 1.00 0.00 C ATOM 690 OG1 THR A 43 -11.854 0.530 3.494 1.00 0.00 O ATOM 691 CG2 THR A 43 -9.463 0.312 3.143 1.00 0.00 C ATOM 0 H THR A 43 -12.964 -0.809 1.655 1.00 0.00 H new ATOM 0 HA THR A 43 -11.020 1.085 0.995 1.00 0.00 H new ATOM 0 HB THR A 43 -10.915 -1.240 2.965 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.609 -0.068 3.674 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.317 0.159 4.212 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.709 -0.248 2.590 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.369 1.373 2.912 1.00 0.00 H new ATOM 699 N MET A 44 -10.293 -2.008 0.182 1.00 0.00 N ATOM 700 CA MET A 44 -9.328 -2.870 -0.485 1.00 0.00 C ATOM 701 C MET A 44 -9.001 -2.365 -1.881 1.00 0.00 C ATOM 702 O MET A 44 -7.835 -2.145 -2.216 1.00 0.00 O ATOM 703 CB MET A 44 -9.852 -4.303 -0.569 1.00 0.00 C ATOM 704 CG MET A 44 -10.052 -4.946 0.788 1.00 0.00 C ATOM 705 SD MET A 44 -10.732 -6.608 0.683 1.00 0.00 S ATOM 706 CE MET A 44 -10.819 -7.015 2.422 1.00 0.00 C ATOM 0 H MET A 44 -11.171 -2.468 0.423 1.00 0.00 H new ATOM 0 HA MET A 44 -8.415 -2.855 0.110 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.799 -4.306 -1.108 1.00 0.00 H new ATOM 0 HB3 MET A 44 -9.153 -4.905 -1.150 1.00 0.00 H new ATOM 0 HG2 MET A 44 -9.097 -4.982 1.311 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.719 -4.323 1.385 1.00 0.00 H new ATOM 0 HE1 MET A 44 -10.998 -8.084 2.537 1.00 0.00 H new ATOM 0 HE2 MET A 44 -9.878 -6.751 2.905 1.00 0.00 H new ATOM 0 HE3 MET A 44 -11.634 -6.459 2.886 1.00 0.00 H new ATOM 716 N CYS A 45 -10.024 -2.164 -2.696 1.00 0.00 N ATOM 717 CA CYS A 45 -9.789 -1.765 -4.076 1.00 0.00 C ATOM 718 C CYS A 45 -9.399 -0.295 -4.153 1.00 0.00 C ATOM 719 O CYS A 45 -8.777 0.137 -5.125 1.00 0.00 O ATOM 720 CB CYS A 45 -10.990 -2.056 -4.982 1.00 0.00 C ATOM 721 SG CYS A 45 -10.500 -2.360 -6.713 1.00 0.00 S ATOM 0 H CYS A 45 -11.005 -2.267 -2.435 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.959 -2.368 -4.445 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -11.526 -2.925 -4.601 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.681 -1.214 -4.946 1.00 0.00 H new ATOM 726 N TYR A 46 -9.749 0.468 -3.120 1.00 0.00 N ATOM 727 CA TYR A 46 -9.274 1.837 -2.995 1.00 0.00 C ATOM 728 C TYR A 46 -7.752 1.847 -2.960 1.00 0.00 C ATOM 729 O TYR A 46 -7.109 2.603 -3.687 1.00 0.00 O ATOM 730 CB TYR A 46 -9.855 2.481 -1.734 1.00 0.00 C ATOM 731 CG TYR A 46 -9.120 3.728 -1.281 1.00 0.00 C ATOM 732 CD1 TYR A 46 -9.250 4.926 -1.972 1.00 0.00 C ATOM 733 CD2 TYR A 46 -8.303 3.705 -0.155 1.00 0.00 C ATOM 734 CE1 TYR A 46 -8.588 6.064 -1.552 1.00 0.00 C ATOM 735 CE2 TYR A 46 -7.636 4.841 0.268 1.00 0.00 C ATOM 736 CZ TYR A 46 -7.782 6.017 -0.434 1.00 0.00 C ATOM 737 OH TYR A 46 -7.135 7.157 -0.015 1.00 0.00 O ATOM 0 H TYR A 46 -10.358 0.160 -2.362 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.606 2.418 -3.855 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.899 2.734 -1.916 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.840 1.750 -0.926 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.877 4.969 -2.850 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.188 2.785 0.398 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.702 6.989 -2.098 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.005 4.806 1.143 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.608 6.958 0.787 1.00 0.00 H new ATOM 747 N ILE A 47 -7.190 0.970 -2.134 1.00 0.00 N ATOM 748 CA ILE A 47 -5.747 0.818 -2.037 1.00 0.00 C ATOM 749 C ILE A 47 -5.160 0.387 -3.380 1.00 0.00 C ATOM 750 O ILE A 47 -4.081 0.828 -3.759 1.00 0.00 O ATOM 751 CB ILE A 47 -5.354 -0.204 -0.948 1.00 0.00 C ATOM 752 CG1 ILE A 47 -5.783 0.297 0.442 1.00 0.00 C ATOM 753 CG2 ILE A 47 -3.854 -0.480 -0.982 1.00 0.00 C ATOM 754 CD1 ILE A 47 -5.155 1.615 0.846 1.00 0.00 C ATOM 0 H ILE A 47 -7.719 0.351 -1.519 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.338 1.789 -1.759 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.876 -1.139 -1.152 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.868 0.403 0.459 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.525 -0.459 1.184 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.599 -1.203 -0.207 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.580 -0.883 -1.957 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.309 0.448 -0.806 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.509 1.898 1.837 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.070 1.511 0.864 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.434 2.386 0.128 1.00 0.00 H new ATOM 766 N LYS A 48 -5.888 -0.458 -4.103 1.00 0.00 N ATOM 767 CA LYS A 48 -5.439 -0.939 -5.404 1.00 0.00 C ATOM 768 C LYS A 48 -5.247 0.232 -6.360 1.00 0.00 C ATOM 769 O LYS A 48 -4.181 0.396 -6.946 1.00 0.00 O ATOM 770 CB LYS A 48 -6.448 -1.946 -5.978 1.00 0.00 C ATOM 771 CG LYS A 48 -5.981 -2.667 -7.246 1.00 0.00 C ATOM 772 CD LYS A 48 -6.197 -1.839 -8.510 1.00 0.00 C ATOM 773 CE LYS A 48 -7.675 -1.636 -8.822 1.00 0.00 C ATOM 774 NZ LYS A 48 -8.351 -2.899 -9.231 1.00 0.00 N ATOM 0 H LYS A 48 -6.793 -0.824 -3.809 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.482 -1.445 -5.280 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.672 -2.691 -5.214 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.379 -1.423 -6.196 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.922 -2.909 -7.152 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.517 -3.612 -7.340 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.716 -0.868 -8.392 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.714 -2.334 -9.353 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.176 -1.228 -7.944 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.777 -0.899 -9.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.853 -2.749 -10.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.641 -3.649 -9.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.032 -3.182 -8.497 1.00 0.00 H new ATOM 788 N CYS A 49 -6.293 1.035 -6.509 1.00 0.00 N ATOM 789 CA CYS A 49 -6.251 2.202 -7.383 1.00 0.00 C ATOM 790 C CYS A 49 -5.116 3.152 -6.995 1.00 0.00 C ATOM 791 O CYS A 49 -4.342 3.585 -7.850 1.00 0.00 O ATOM 792 CB CYS A 49 -7.596 2.932 -7.349 1.00 0.00 C ATOM 793 SG CYS A 49 -7.576 4.574 -8.139 1.00 0.00 S ATOM 0 H CYS A 49 -7.185 0.899 -6.034 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.059 1.856 -8.399 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.345 2.313 -7.843 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.909 3.045 -6.311 1.00 0.00 H new ATOM 798 N VAL A 50 -5.009 3.454 -5.703 1.00 0.00 N ATOM 799 CA VAL A 50 -4.005 4.380 -5.204 1.00 0.00 C ATOM 800 C VAL A 50 -2.594 3.853 -5.459 1.00 0.00 C ATOM 801 O VAL A 50 -1.749 4.554 -6.015 1.00 0.00 O ATOM 802 CB VAL A 50 -4.207 4.640 -3.698 1.00 0.00 C ATOM 803 CG1 VAL A 50 -3.063 5.446 -3.119 1.00 0.00 C ATOM 804 CG2 VAL A 50 -5.522 5.357 -3.465 1.00 0.00 C ATOM 0 H VAL A 50 -5.613 3.065 -4.980 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.123 5.320 -5.744 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.229 3.676 -3.190 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.236 5.612 -2.056 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.129 4.901 -3.254 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.999 6.407 -3.630 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.655 5.536 -2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.516 6.310 -3.995 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.342 4.742 -3.835 1.00 0.00 H new ATOM 814 N PHE A 51 -2.369 2.600 -5.088 1.00 0.00 N ATOM 815 CA PHE A 51 -1.067 1.962 -5.237 1.00 0.00 C ATOM 816 C PHE A 51 -0.688 1.832 -6.708 1.00 0.00 C ATOM 817 O PHE A 51 0.491 1.779 -7.063 1.00 0.00 O ATOM 818 CB PHE A 51 -1.088 0.584 -4.571 1.00 0.00 C ATOM 819 CG PHE A 51 -0.673 0.588 -3.126 1.00 0.00 C ATOM 820 CD1 PHE A 51 -0.897 1.695 -2.320 1.00 0.00 C ATOM 821 CD2 PHE A 51 -0.068 -0.528 -2.571 1.00 0.00 C ATOM 822 CE1 PHE A 51 -0.521 1.686 -0.990 1.00 0.00 C ATOM 823 CE2 PHE A 51 0.308 -0.541 -1.244 1.00 0.00 C ATOM 824 CZ PHE A 51 0.081 0.568 -0.453 1.00 0.00 C ATOM 0 H PHE A 51 -3.082 1.998 -4.676 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.317 2.586 -4.750 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.094 0.172 -4.647 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.428 -0.084 -5.124 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.370 2.572 -2.736 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.111 -1.398 -3.185 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.699 2.554 -0.372 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.779 -1.417 -0.824 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.375 0.559 0.586 1.00 0.00 H new ATOM 834 N ASN A 52 -1.700 1.785 -7.560 1.00 0.00 N ATOM 835 CA ASN A 52 -1.490 1.676 -8.996 1.00 0.00 C ATOM 836 C ASN A 52 -1.102 3.034 -9.570 1.00 0.00 C ATOM 837 O ASN A 52 -0.209 3.137 -10.410 1.00 0.00 O ATOM 838 CB ASN A 52 -2.762 1.154 -9.674 1.00 0.00 C ATOM 839 CG ASN A 52 -2.594 0.925 -11.167 1.00 0.00 C ATOM 840 OD1 ASN A 52 -3.536 1.111 -11.939 1.00 0.00 O ATOM 841 ND2 ASN A 52 -1.415 0.490 -11.583 1.00 0.00 N ATOM 0 H ASN A 52 -2.680 1.821 -7.280 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.680 0.972 -9.185 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.060 0.218 -9.201 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.571 1.866 -9.511 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.263 0.297 -12.573 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.659 0.348 -10.914 1.00 0.00 H new ATOM 848 N LYS A 53 -1.758 4.075 -9.078 1.00 0.00 N ATOM 849 CA LYS A 53 -1.510 5.433 -9.540 1.00 0.00 C ATOM 850 C LYS A 53 -0.173 5.950 -9.023 1.00 0.00 C ATOM 851 O LYS A 53 0.415 6.868 -9.591 1.00 0.00 O ATOM 852 CB LYS A 53 -2.646 6.356 -9.084 1.00 0.00 C ATOM 853 CG LYS A 53 -3.905 6.262 -9.942 1.00 0.00 C ATOM 854 CD LYS A 53 -5.027 7.132 -9.396 1.00 0.00 C ATOM 855 CE LYS A 53 -6.279 7.036 -10.257 1.00 0.00 C ATOM 856 NZ LYS A 53 -6.045 7.524 -11.641 1.00 0.00 N ATOM 0 H LYS A 53 -2.472 4.004 -8.353 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.471 5.423 -10.629 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.903 6.116 -8.052 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.289 7.386 -9.092 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.673 6.566 -10.963 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.238 5.225 -9.987 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.262 6.827 -8.376 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.695 8.169 -9.350 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.617 6.000 -10.291 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.079 7.617 -9.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.957 7.633 -12.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.558 8.442 -11.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.456 6.839 -12.156 1.00 0.00 H new ATOM 870 N MET A 54 0.302 5.349 -7.943 1.00 0.00 N ATOM 871 CA MET A 54 1.574 5.733 -7.347 1.00 0.00 C ATOM 872 C MET A 54 2.728 4.929 -7.930 1.00 0.00 C ATOM 873 O MET A 54 3.874 5.086 -7.514 1.00 0.00 O ATOM 874 CB MET A 54 1.514 5.543 -5.835 1.00 0.00 C ATOM 875 CG MET A 54 0.630 6.560 -5.147 1.00 0.00 C ATOM 876 SD MET A 54 0.205 6.096 -3.460 1.00 0.00 S ATOM 877 CE MET A 54 1.758 6.372 -2.623 1.00 0.00 C ATOM 0 H MET A 54 -0.176 4.589 -7.459 1.00 0.00 H new ATOM 0 HA MET A 54 1.752 6.784 -7.575 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.146 4.541 -5.614 1.00 0.00 H new ATOM 0 HB3 MET A 54 2.522 5.609 -5.426 1.00 0.00 H new ATOM 0 HG2 MET A 54 1.137 7.525 -5.136 1.00 0.00 H new ATOM 0 HG3 MET A 54 -0.286 6.687 -5.725 1.00 0.00 H new ATOM 0 HE1 MET A 54 1.718 5.932 -1.627 1.00 0.00 H new ATOM 0 HE2 MET A 54 2.565 5.910 -3.192 1.00 0.00 H new ATOM 0 HE3 MET A 54 1.941 7.443 -2.539 1.00 0.00 H new ATOM 887 N GLN A 55 2.405 4.068 -8.901 1.00 0.00 N ATOM 888 CA GLN A 55 3.391 3.211 -9.552 1.00 0.00 C ATOM 889 C GLN A 55 4.103 2.318 -8.538 1.00 0.00 C ATOM 890 O GLN A 55 5.324 2.172 -8.566 1.00 0.00 O ATOM 891 CB GLN A 55 4.398 4.056 -10.332 1.00 0.00 C ATOM 892 CG GLN A 55 3.941 4.397 -11.738 1.00 0.00 C ATOM 893 CD GLN A 55 4.923 5.289 -12.477 1.00 0.00 C ATOM 894 OE1 GLN A 55 5.861 4.810 -13.113 1.00 0.00 O ATOM 895 NE2 GLN A 55 4.705 6.595 -12.417 1.00 0.00 N ATOM 0 H GLN A 55 1.455 3.949 -9.254 1.00 0.00 H new ATOM 0 HA GLN A 55 2.866 2.562 -10.253 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.586 4.980 -9.785 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.345 3.520 -10.386 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.799 3.475 -12.302 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.972 4.894 -11.690 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.917 6.956 -11.880 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.325 7.239 -12.908 1.00 0.00 H new ATOM 904 N LEU A 56 3.328 1.712 -7.651 1.00 0.00 N ATOM 905 CA LEU A 56 3.885 0.917 -6.567 1.00 0.00 C ATOM 906 C LEU A 56 3.340 -0.511 -6.588 1.00 0.00 C ATOM 907 O LEU A 56 3.915 -1.423 -5.990 1.00 0.00 O ATOM 908 CB LEU A 56 3.580 1.602 -5.227 1.00 0.00 C ATOM 909 CG LEU A 56 4.725 2.449 -4.665 1.00 0.00 C ATOM 910 CD1 LEU A 56 4.291 3.169 -3.396 1.00 0.00 C ATOM 911 CD2 LEU A 56 5.945 1.592 -4.385 1.00 0.00 C ATOM 0 H LEU A 56 2.309 1.756 -7.661 1.00 0.00 H new ATOM 0 HA LEU A 56 4.965 0.850 -6.698 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.703 2.238 -5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.319 0.838 -4.495 1.00 0.00 H new ATOM 0 HG LEU A 56 4.989 3.193 -5.416 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.120 3.765 -3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.447 3.822 -3.619 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.995 2.436 -2.645 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.745 2.216 -3.987 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.689 0.822 -3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.279 1.121 -5.310 1.00 0.00 H new ATOM 923 N PHE A 57 2.232 -0.698 -7.291 1.00 0.00 N ATOM 924 CA PHE A 57 1.594 -2.002 -7.392 1.00 0.00 C ATOM 925 C PHE A 57 1.151 -2.252 -8.823 1.00 0.00 C ATOM 926 O PHE A 57 0.681 -1.338 -9.506 1.00 0.00 O ATOM 927 CB PHE A 57 0.389 -2.090 -6.434 1.00 0.00 C ATOM 928 CG PHE A 57 -0.451 -3.332 -6.596 1.00 0.00 C ATOM 929 CD1 PHE A 57 -0.093 -4.521 -5.979 1.00 0.00 C ATOM 930 CD2 PHE A 57 -1.609 -3.301 -7.360 1.00 0.00 C ATOM 931 CE1 PHE A 57 -0.873 -5.654 -6.123 1.00 0.00 C ATOM 932 CE2 PHE A 57 -2.389 -4.432 -7.508 1.00 0.00 C ATOM 933 CZ PHE A 57 -2.021 -5.609 -6.889 1.00 0.00 C ATOM 0 H PHE A 57 1.754 0.043 -7.803 1.00 0.00 H new ATOM 0 HA PHE A 57 2.315 -2.768 -7.106 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.753 -2.045 -5.408 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.244 -1.216 -6.586 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.804 -4.563 -5.380 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.904 -2.382 -7.845 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.584 -6.574 -5.636 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.286 -4.395 -8.108 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.630 -6.494 -7.003 1.00 0.00 H new ATOM 943 N ASP A 58 1.326 -3.478 -9.277 1.00 0.00 N ATOM 944 CA ASP A 58 0.844 -3.891 -10.584 1.00 0.00 C ATOM 945 C ASP A 58 -0.158 -5.020 -10.412 1.00 0.00 C ATOM 946 O ASP A 58 0.040 -5.910 -9.590 1.00 0.00 O ATOM 947 CB ASP A 58 2.002 -4.344 -11.478 1.00 0.00 C ATOM 948 CG ASP A 58 1.516 -4.869 -12.812 1.00 0.00 C ATOM 949 OD1 ASP A 58 0.994 -4.070 -13.620 1.00 0.00 O ATOM 950 OD2 ASP A 58 1.643 -6.085 -13.057 1.00 0.00 O ATOM 0 H ASP A 58 1.803 -4.213 -8.755 1.00 0.00 H new ATOM 0 HA ASP A 58 0.362 -3.041 -11.067 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.681 -3.508 -11.643 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.571 -5.121 -10.968 1.00 0.00 H new ATOM 955 N ASP A 59 -1.236 -4.977 -11.180 1.00 0.00 N ATOM 956 CA ASP A 59 -2.321 -5.946 -11.037 1.00 0.00 C ATOM 957 C ASP A 59 -1.906 -7.331 -11.522 1.00 0.00 C ATOM 958 O ASP A 59 -2.622 -8.310 -11.306 1.00 0.00 O ATOM 959 CB ASP A 59 -3.559 -5.481 -11.806 1.00 0.00 C ATOM 960 CG ASP A 59 -3.334 -5.429 -13.303 1.00 0.00 C ATOM 961 OD1 ASP A 59 -2.712 -4.454 -13.779 1.00 0.00 O ATOM 962 OD2 ASP A 59 -3.788 -6.350 -14.013 1.00 0.00 O ATOM 0 H ASP A 59 -1.386 -4.282 -11.911 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.558 -6.014 -9.975 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.389 -6.154 -11.591 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.851 -4.492 -11.452 1.00 0.00 H new ATOM 967 N THR A 60 -0.761 -7.410 -12.185 1.00 0.00 N ATOM 968 CA THR A 60 -0.243 -8.677 -12.660 1.00 0.00 C ATOM 969 C THR A 60 0.876 -9.203 -11.753 1.00 0.00 C ATOM 970 O THR A 60 0.719 -10.240 -11.108 1.00 0.00 O ATOM 971 CB THR A 60 0.267 -8.547 -14.107 1.00 0.00 C ATOM 972 OG1 THR A 60 -0.829 -8.271 -14.987 1.00 0.00 O ATOM 973 CG2 THR A 60 0.985 -9.807 -14.553 1.00 0.00 C ATOM 0 H THR A 60 -0.174 -6.606 -12.405 1.00 0.00 H new ATOM 0 HA THR A 60 -1.063 -9.395 -12.636 1.00 0.00 H new ATOM 0 HB THR A 60 0.979 -7.722 -14.143 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.498 -8.188 -15.906 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.333 -9.684 -15.579 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.838 -9.990 -13.900 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.300 -10.654 -14.501 1.00 0.00 H new ATOM 981 N GLU A 61 1.997 -8.487 -11.699 1.00 0.00 N ATOM 982 CA GLU A 61 3.157 -8.934 -10.929 1.00 0.00 C ATOM 983 C GLU A 61 2.964 -8.723 -9.427 1.00 0.00 C ATOM 984 O GLU A 61 3.740 -9.240 -8.617 1.00 0.00 O ATOM 985 CB GLU A 61 4.418 -8.206 -11.383 1.00 0.00 C ATOM 986 CG GLU A 61 4.522 -8.058 -12.885 1.00 0.00 C ATOM 987 CD GLU A 61 5.897 -7.613 -13.334 1.00 0.00 C ATOM 988 OE1 GLU A 61 6.557 -8.375 -14.071 1.00 0.00 O ATOM 989 OE2 GLU A 61 6.331 -6.508 -12.948 1.00 0.00 O ATOM 0 H GLU A 61 2.127 -7.596 -12.178 1.00 0.00 H new ATOM 0 HA GLU A 61 3.265 -10.003 -11.113 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.441 -7.217 -10.926 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.291 -8.746 -11.018 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.280 -9.010 -13.357 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.781 -7.335 -13.227 1.00 0.00 H new ATOM 996 N GLY A 62 1.944 -7.962 -9.056 1.00 0.00 N ATOM 997 CA GLY A 62 1.690 -7.708 -7.653 1.00 0.00 C ATOM 998 C GLY A 62 2.479 -6.524 -7.139 1.00 0.00 C ATOM 999 O GLY A 62 2.784 -5.603 -7.898 1.00 0.00 O ATOM 0 H GLY A 62 1.290 -7.517 -9.700 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.626 -7.526 -7.504 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.946 -8.594 -7.072 1.00 0.00 H new ATOM 1003 N PRO A 63 2.814 -6.522 -5.842 1.00 0.00 N ATOM 1004 CA PRO A 63 3.635 -5.472 -5.237 1.00 0.00 C ATOM 1005 C PRO A 63 4.989 -5.355 -5.925 1.00 0.00 C ATOM 1006 O PRO A 63 5.738 -6.331 -6.007 1.00 0.00 O ATOM 1007 CB PRO A 63 3.822 -5.933 -3.788 1.00 0.00 C ATOM 1008 CG PRO A 63 2.751 -6.941 -3.538 1.00 0.00 C ATOM 1009 CD PRO A 63 2.415 -7.552 -4.873 1.00 0.00 C ATOM 0 HA PRO A 63 3.166 -4.492 -5.321 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.810 -6.369 -3.641 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.738 -5.094 -3.097 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.092 -7.703 -2.838 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.873 -6.471 -3.095 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.957 -8.484 -5.034 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.353 -7.784 -4.951 1.00 0.00 H new ATOM 1017 N LEU A 64 5.296 -4.168 -6.421 1.00 0.00 N ATOM 1018 CA LEU A 64 6.560 -3.936 -7.103 1.00 0.00 C ATOM 1019 C LEU A 64 7.645 -3.641 -6.084 1.00 0.00 C ATOM 1020 O LEU A 64 7.875 -2.488 -5.718 1.00 0.00 O ATOM 1021 CB LEU A 64 6.435 -2.787 -8.106 1.00 0.00 C ATOM 1022 CG LEU A 64 5.297 -2.949 -9.115 1.00 0.00 C ATOM 1023 CD1 LEU A 64 5.167 -1.715 -9.993 1.00 0.00 C ATOM 1024 CD2 LEU A 64 5.528 -4.186 -9.965 1.00 0.00 C ATOM 0 H LEU A 64 4.689 -3.350 -6.365 1.00 0.00 H new ATOM 0 HA LEU A 64 6.829 -4.835 -7.658 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.288 -1.857 -7.557 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.375 -2.692 -8.649 1.00 0.00 H new ATOM 0 HG LEU A 64 4.364 -3.068 -8.565 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.351 -1.857 -10.701 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.960 -0.845 -9.370 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.097 -1.557 -10.539 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.713 -4.293 -10.680 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.471 -4.088 -10.502 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.566 -5.066 -9.323 1.00 0.00 H new ATOM 1036 N VAL A 65 8.295 -4.708 -5.630 1.00 0.00 N ATOM 1037 CA VAL A 65 9.292 -4.635 -4.563 1.00 0.00 C ATOM 1038 C VAL A 65 10.361 -3.569 -4.832 1.00 0.00 C ATOM 1039 O VAL A 65 10.786 -2.871 -3.915 1.00 0.00 O ATOM 1040 CB VAL A 65 9.947 -6.025 -4.283 1.00 0.00 C ATOM 1041 CG1 VAL A 65 9.962 -6.913 -5.515 1.00 0.00 C ATOM 1042 CG2 VAL A 65 11.362 -5.870 -3.736 1.00 0.00 C ATOM 0 H VAL A 65 8.146 -5.650 -5.991 1.00 0.00 H new ATOM 0 HA VAL A 65 8.754 -4.332 -3.665 1.00 0.00 H new ATOM 0 HB VAL A 65 9.328 -6.511 -3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.427 -7.868 -5.270 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.940 -7.083 -5.853 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.530 -6.426 -6.308 1.00 0.00 H new ATOM 0 HG21 VAL A 65 11.791 -6.855 -3.551 1.00 0.00 H new ATOM 0 HG22 VAL A 65 11.976 -5.337 -4.462 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.332 -5.307 -2.803 1.00 0.00 H new ATOM 1052 N ASP A 66 10.761 -3.422 -6.091 1.00 0.00 N ATOM 1053 CA ASP A 66 11.812 -2.477 -6.454 1.00 0.00 C ATOM 1054 C ASP A 66 11.406 -1.042 -6.125 1.00 0.00 C ATOM 1055 O ASP A 66 12.108 -0.342 -5.393 1.00 0.00 O ATOM 1056 CB ASP A 66 12.141 -2.609 -7.936 1.00 0.00 C ATOM 1057 CG ASP A 66 13.306 -1.735 -8.354 1.00 0.00 C ATOM 1058 OD1 ASP A 66 14.465 -2.143 -8.135 1.00 0.00 O ATOM 1059 OD2 ASP A 66 13.069 -0.647 -8.916 1.00 0.00 O ATOM 0 H ASP A 66 10.374 -3.945 -6.877 1.00 0.00 H new ATOM 0 HA ASP A 66 12.700 -2.714 -5.868 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.373 -3.650 -8.162 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.263 -2.343 -8.524 1.00 0.00 H new ATOM 1064 N ASN A 67 10.262 -0.615 -6.646 1.00 0.00 N ATOM 1065 CA ASN A 67 9.750 0.726 -6.379 1.00 0.00 C ATOM 1066 C ASN A 67 9.421 0.883 -4.901 1.00 0.00 C ATOM 1067 O ASN A 67 9.600 1.955 -4.322 1.00 0.00 O ATOM 1068 CB ASN A 67 8.503 1.005 -7.221 1.00 0.00 C ATOM 1069 CG ASN A 67 8.817 1.233 -8.689 1.00 0.00 C ATOM 1070 OD1 ASN A 67 9.832 0.764 -9.204 1.00 0.00 O ATOM 1071 ND2 ASN A 67 7.940 1.943 -9.374 1.00 0.00 N ATOM 0 H ASN A 67 9.670 -1.178 -7.257 1.00 0.00 H new ATOM 0 HA ASN A 67 10.523 1.445 -6.649 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.814 0.166 -7.129 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.992 1.882 -6.824 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.091 2.120 -10.367 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.111 2.314 -8.910 1.00 0.00 H new ATOM 1078 N LEU A 68 8.959 -0.205 -4.300 1.00 0.00 N ATOM 1079 CA LEU A 68 8.583 -0.221 -2.891 1.00 0.00 C ATOM 1080 C LEU A 68 9.757 0.139 -1.990 1.00 0.00 C ATOM 1081 O LEU A 68 9.613 0.925 -1.057 1.00 0.00 O ATOM 1082 CB LEU A 68 8.015 -1.591 -2.517 1.00 0.00 C ATOM 1083 CG LEU A 68 6.534 -1.776 -2.853 1.00 0.00 C ATOM 1084 CD1 LEU A 68 6.156 -3.247 -2.830 1.00 0.00 C ATOM 1085 CD2 LEU A 68 5.679 -1.000 -1.871 1.00 0.00 C ATOM 0 H LEU A 68 8.834 -1.100 -4.773 1.00 0.00 H new ATOM 0 HA LEU A 68 7.815 0.537 -2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.590 -2.361 -3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.155 -1.749 -1.448 1.00 0.00 H new ATOM 0 HG LEU A 68 6.357 -1.394 -3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.099 -3.355 -3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.753 -3.788 -3.564 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.345 -3.656 -1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.626 -1.137 -2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.865 -1.363 -0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.930 0.059 -1.928 1.00 0.00 H new ATOM 1097 N VAL A 69 10.918 -0.426 -2.281 1.00 0.00 N ATOM 1098 CA VAL A 69 12.126 -0.132 -1.527 1.00 0.00 C ATOM 1099 C VAL A 69 12.595 1.294 -1.788 1.00 0.00 C ATOM 1100 O VAL A 69 12.976 2.006 -0.866 1.00 0.00 O ATOM 1101 CB VAL A 69 13.245 -1.116 -1.884 1.00 0.00 C ATOM 1102 CG1 VAL A 69 14.509 -0.787 -1.118 1.00 0.00 C ATOM 1103 CG2 VAL A 69 12.808 -2.537 -1.597 1.00 0.00 C ATOM 0 H VAL A 69 11.049 -1.095 -3.039 1.00 0.00 H new ATOM 0 HA VAL A 69 11.888 -0.237 -0.468 1.00 0.00 H new ATOM 0 HB VAL A 69 13.456 -1.025 -2.949 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.292 -1.497 -1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.834 0.223 -1.369 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.313 -0.850 -0.048 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.613 -3.225 -1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 69 12.571 -2.638 -0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.925 -2.773 -2.191 1.00 0.00 H new ATOM 1113 N HIS A 70 12.536 1.713 -3.045 1.00 0.00 N ATOM 1114 CA HIS A 70 12.957 3.063 -3.418 1.00 0.00 C ATOM 1115 C HIS A 70 12.090 4.120 -2.738 1.00 0.00 C ATOM 1116 O HIS A 70 12.517 5.255 -2.535 1.00 0.00 O ATOM 1117 CB HIS A 70 12.914 3.249 -4.938 1.00 0.00 C ATOM 1118 CG HIS A 70 14.109 2.686 -5.649 1.00 0.00 C ATOM 1119 ND1 HIS A 70 15.123 3.476 -6.148 1.00 0.00 N ATOM 1120 CD2 HIS A 70 14.455 1.411 -5.943 1.00 0.00 C ATOM 1121 CE1 HIS A 70 16.037 2.712 -6.714 1.00 0.00 C ATOM 1122 NE2 HIS A 70 15.654 1.458 -6.604 1.00 0.00 N ATOM 0 H HIS A 70 12.203 1.143 -3.823 1.00 0.00 H new ATOM 0 HA HIS A 70 13.985 3.190 -3.079 1.00 0.00 H new ATOM 0 HB2 HIS A 70 12.014 2.774 -5.328 1.00 0.00 H new ATOM 0 HB3 HIS A 70 12.836 4.313 -5.163 1.00 0.00 H new ATOM 0 HD2 HIS A 70 13.891 0.522 -5.702 1.00 0.00 H new ATOM 0 HE1 HIS A 70 16.945 3.057 -7.187 1.00 0.00 H new ATOM 0 HE2 HIS A 70 16.168 0.650 -6.955 1.00 0.00 H new ATOM 1131 N GLN A 71 10.873 3.736 -2.389 1.00 0.00 N ATOM 1132 CA GLN A 71 9.939 4.637 -1.727 1.00 0.00 C ATOM 1133 C GLN A 71 10.072 4.559 -0.205 1.00 0.00 C ATOM 1134 O GLN A 71 10.376 5.556 0.454 1.00 0.00 O ATOM 1135 CB GLN A 71 8.508 4.282 -2.135 1.00 0.00 C ATOM 1136 CG GLN A 71 7.460 5.259 -1.621 1.00 0.00 C ATOM 1137 CD GLN A 71 7.676 6.675 -2.111 1.00 0.00 C ATOM 1138 OE1 GLN A 71 7.199 7.058 -3.176 1.00 0.00 O ATOM 1139 NE2 GLN A 71 8.377 7.470 -1.321 1.00 0.00 N ATOM 0 H GLN A 71 10.505 2.799 -2.554 1.00 0.00 H new ATOM 0 HA GLN A 71 10.173 5.656 -2.036 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.450 4.241 -3.223 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.272 3.284 -1.766 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.472 4.920 -1.933 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.470 5.253 -0.531 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.756 7.112 -0.444 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.539 8.441 -1.588 1.00 0.00 H new ATOM 1148 N LEU A 72 9.836 3.369 0.336 1.00 0.00 N ATOM 1149 CA LEU A 72 9.810 3.157 1.783 1.00 0.00 C ATOM 1150 C LEU A 72 11.167 3.409 2.436 1.00 0.00 C ATOM 1151 O LEU A 72 11.250 4.075 3.470 1.00 0.00 O ATOM 1152 CB LEU A 72 9.343 1.735 2.109 1.00 0.00 C ATOM 1153 CG LEU A 72 7.880 1.429 1.780 1.00 0.00 C ATOM 1154 CD1 LEU A 72 7.601 -0.056 1.949 1.00 0.00 C ATOM 1155 CD2 LEU A 72 6.939 2.237 2.664 1.00 0.00 C ATOM 0 H LEU A 72 9.658 2.527 -0.211 1.00 0.00 H new ATOM 0 HA LEU A 72 9.105 3.881 2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.974 1.031 1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.504 1.553 3.172 1.00 0.00 H new ATOM 0 HG LEU A 72 7.703 1.711 0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.557 -0.259 1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.243 -0.626 1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.803 -0.349 2.979 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.906 2.000 2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.120 1.989 3.710 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.116 3.301 2.507 1.00 0.00 H new ATOM 1167 N ALA A 73 12.229 2.883 1.834 1.00 0.00 N ATOM 1168 CA ALA A 73 13.566 2.958 2.418 1.00 0.00 C ATOM 1169 C ALA A 73 14.190 4.352 2.323 1.00 0.00 C ATOM 1170 O ALA A 73 15.414 4.488 2.322 1.00 0.00 O ATOM 1171 CB ALA A 73 14.470 1.942 1.755 1.00 0.00 C ATOM 0 H ALA A 73 12.190 2.398 0.938 1.00 0.00 H new ATOM 0 HA ALA A 73 13.460 2.736 3.480 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.466 2.001 2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.065 0.941 1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.530 2.151 0.687 1.00 0.00 H new ATOM 1177 N HIS A 74 13.359 5.382 2.267 1.00 0.00 N ATOM 1178 CA HIS A 74 13.855 6.750 2.211 1.00 0.00 C ATOM 1179 C HIS A 74 14.377 7.165 3.584 1.00 0.00 C ATOM 1180 O HIS A 74 13.623 7.652 4.425 1.00 0.00 O ATOM 1181 CB HIS A 74 12.754 7.713 1.738 1.00 0.00 C ATOM 1182 CG HIS A 74 13.238 9.113 1.513 1.00 0.00 C ATOM 1183 ND1 HIS A 74 13.818 9.531 0.334 1.00 0.00 N ATOM 1184 CD2 HIS A 74 13.228 10.196 2.324 1.00 0.00 C ATOM 1185 CE1 HIS A 74 14.144 10.805 0.432 1.00 0.00 C ATOM 1186 NE2 HIS A 74 13.796 11.233 1.630 1.00 0.00 N ATOM 0 H HIS A 74 12.342 5.298 2.259 1.00 0.00 H new ATOM 0 HA HIS A 74 14.672 6.797 1.491 1.00 0.00 H new ATOM 0 HB2 HIS A 74 12.324 7.333 0.811 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.954 7.729 2.478 1.00 0.00 H new ATOM 0 HD2 HIS A 74 12.843 10.236 3.332 1.00 0.00 H new ATOM 0 HE1 HIS A 74 14.616 11.397 -0.338 1.00 0.00 H new ATOM 0 HE2 HIS A 74 13.928 12.181 1.983 1.00 0.00 H new ATOM 1195 N GLY A 75 15.668 6.961 3.799 1.00 0.00 N ATOM 1196 CA GLY A 75 16.270 7.260 5.083 1.00 0.00 C ATOM 1197 C GLY A 75 16.471 6.017 5.930 1.00 0.00 C ATOM 1198 O GLY A 75 16.623 6.105 7.148 1.00 0.00 O ATOM 0 H GLY A 75 16.314 6.591 3.102 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.231 7.749 4.926 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.638 7.966 5.622 1.00 0.00 H new ATOM 1202 N ARG A 76 16.471 4.856 5.283 1.00 0.00 N ATOM 1203 CA ARG A 76 16.685 3.586 5.975 1.00 0.00 C ATOM 1204 C ARG A 76 17.426 2.606 5.076 1.00 0.00 C ATOM 1205 O ARG A 76 17.555 2.837 3.872 1.00 0.00 O ATOM 1206 CB ARG A 76 15.356 2.964 6.416 1.00 0.00 C ATOM 1207 CG ARG A 76 14.957 3.296 7.842 1.00 0.00 C ATOM 1208 CD ARG A 76 13.881 2.349 8.344 1.00 0.00 C ATOM 1209 NE ARG A 76 13.309 2.788 9.616 1.00 0.00 N ATOM 1210 CZ ARG A 76 12.505 2.040 10.372 1.00 0.00 C ATOM 1211 NH1 ARG A 76 12.202 0.799 10.011 1.00 0.00 N ATOM 1212 NH2 ARG A 76 12.012 2.539 11.495 1.00 0.00 N ATOM 0 H ARG A 76 16.325 4.766 4.277 1.00 0.00 H new ATOM 0 HA ARG A 76 17.286 3.793 6.860 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.568 3.301 5.742 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.422 1.881 6.312 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.831 3.235 8.491 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.594 4.323 7.892 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.089 2.273 7.598 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.304 1.351 8.463 1.00 0.00 H new ATOM 0 HE ARG A 76 13.540 3.725 9.946 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.585 0.411 9.149 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.586 0.234 10.595 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.248 3.490 11.777 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.396 1.972 12.078 1.00 0.00 H new ATOM 1226 N ASP A 77 17.912 1.521 5.672 1.00 0.00 N ATOM 1227 CA ASP A 77 18.590 0.463 4.930 1.00 0.00 C ATOM 1228 C ASP A 77 17.640 -0.205 3.956 1.00 0.00 C ATOM 1229 O ASP A 77 16.769 -0.985 4.349 1.00 0.00 O ATOM 1230 CB ASP A 77 19.166 -0.591 5.877 1.00 0.00 C ATOM 1231 CG ASP A 77 20.342 -0.087 6.681 1.00 0.00 C ATOM 1232 OD1 ASP A 77 21.463 -0.600 6.485 1.00 0.00 O ATOM 1233 OD2 ASP A 77 20.158 0.827 7.513 1.00 0.00 O ATOM 0 H ASP A 77 17.848 1.351 6.676 1.00 0.00 H new ATOM 0 HA ASP A 77 19.407 0.926 4.376 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.384 -0.924 6.559 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.476 -1.461 5.298 1.00 0.00 H new ATOM 1238 N ALA A 78 17.825 0.106 2.683 1.00 0.00 N ATOM 1239 CA ALA A 78 17.033 -0.474 1.610 1.00 0.00 C ATOM 1240 C ALA A 78 17.107 -1.996 1.638 1.00 0.00 C ATOM 1241 O ALA A 78 16.147 -2.682 1.290 1.00 0.00 O ATOM 1242 CB ALA A 78 17.526 0.051 0.276 1.00 0.00 C ATOM 0 H ALA A 78 18.531 0.770 2.364 1.00 0.00 H new ATOM 0 HA ALA A 78 15.991 -0.186 1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 78 16.932 -0.384 -0.528 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.428 1.136 0.253 1.00 0.00 H new ATOM 0 HB3 ALA A 78 18.573 -0.221 0.142 1.00 0.00 H new ATOM 1248 N GLU A 79 18.255 -2.506 2.067 1.00 0.00 N ATOM 1249 CA GLU A 79 18.471 -3.944 2.183 1.00 0.00 C ATOM 1250 C GLU A 79 17.433 -4.579 3.107 1.00 0.00 C ATOM 1251 O GLU A 79 16.793 -5.570 2.749 1.00 0.00 O ATOM 1252 CB GLU A 79 19.879 -4.231 2.707 1.00 0.00 C ATOM 1253 CG GLU A 79 20.984 -3.840 1.742 1.00 0.00 C ATOM 1254 CD GLU A 79 22.361 -4.168 2.275 1.00 0.00 C ATOM 1255 OE1 GLU A 79 22.833 -3.463 3.192 1.00 0.00 O ATOM 1256 OE2 GLU A 79 22.982 -5.128 1.774 1.00 0.00 O ATOM 0 H GLU A 79 19.057 -1.940 2.343 1.00 0.00 H new ATOM 0 HA GLU A 79 18.364 -4.382 1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 79 20.023 -3.696 3.646 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.964 -5.295 2.930 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.833 -4.355 0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.922 -2.771 1.538 1.00 0.00 H new ATOM 1263 N GLU A 80 17.259 -3.987 4.283 1.00 0.00 N ATOM 1264 CA GLU A 80 16.316 -4.497 5.270 1.00 0.00 C ATOM 1265 C GLU A 80 14.881 -4.281 4.804 1.00 0.00 C ATOM 1266 O GLU A 80 14.035 -5.168 4.927 1.00 0.00 O ATOM 1267 CB GLU A 80 16.538 -3.802 6.609 1.00 0.00 C ATOM 1268 CG GLU A 80 17.905 -4.065 7.208 1.00 0.00 C ATOM 1269 CD GLU A 80 18.063 -3.455 8.584 1.00 0.00 C ATOM 1270 OE1 GLU A 80 18.199 -2.220 8.678 1.00 0.00 O ATOM 1271 OE2 GLU A 80 18.052 -4.208 9.580 1.00 0.00 O ATOM 0 H GLU A 80 17.762 -3.149 4.577 1.00 0.00 H new ATOM 0 HA GLU A 80 16.484 -5.567 5.389 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.408 -2.728 6.478 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.773 -4.132 7.312 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.070 -5.141 7.270 1.00 0.00 H new ATOM 0 HG3 GLU A 80 18.672 -3.663 6.546 1.00 0.00 H new ATOM 1278 N VAL A 81 14.626 -3.095 4.260 1.00 0.00 N ATOM 1279 CA VAL A 81 13.307 -2.735 3.750 1.00 0.00 C ATOM 1280 C VAL A 81 12.822 -3.730 2.696 1.00 0.00 C ATOM 1281 O VAL A 81 11.689 -4.201 2.762 1.00 0.00 O ATOM 1282 CB VAL A 81 13.319 -1.314 3.165 1.00 0.00 C ATOM 1283 CG1 VAL A 81 11.987 -0.964 2.519 1.00 0.00 C ATOM 1284 CG2 VAL A 81 13.657 -0.323 4.256 1.00 0.00 C ATOM 0 H VAL A 81 15.325 -2.359 4.160 1.00 0.00 H new ATOM 0 HA VAL A 81 12.614 -2.766 4.591 1.00 0.00 H new ATOM 0 HB VAL A 81 14.079 -1.269 2.385 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.033 0.048 2.116 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.778 -1.666 1.712 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.194 -1.022 3.265 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.666 0.685 3.842 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.910 -0.384 5.047 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.640 -0.555 4.667 1.00 0.00 H new ATOM 1294 N ARG A 82 13.687 -4.049 1.733 1.00 0.00 N ATOM 1295 CA ARG A 82 13.369 -5.028 0.700 1.00 0.00 C ATOM 1296 C ARG A 82 12.968 -6.357 1.325 1.00 0.00 C ATOM 1297 O ARG A 82 11.998 -6.983 0.907 1.00 0.00 O ATOM 1298 CB ARG A 82 14.570 -5.238 -0.216 1.00 0.00 C ATOM 1299 CG ARG A 82 14.230 -6.020 -1.469 1.00 0.00 C ATOM 1300 CD ARG A 82 15.472 -6.337 -2.277 1.00 0.00 C ATOM 1301 NE ARG A 82 15.147 -6.964 -3.556 1.00 0.00 N ATOM 1302 CZ ARG A 82 16.056 -7.305 -4.469 1.00 0.00 C ATOM 1303 NH1 ARG A 82 17.347 -7.082 -4.246 1.00 0.00 N ATOM 1304 NH2 ARG A 82 15.673 -7.869 -5.607 1.00 0.00 N ATOM 0 H ARG A 82 14.617 -3.640 1.649 1.00 0.00 H new ATOM 0 HA ARG A 82 12.532 -4.645 0.116 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.978 -4.268 -0.499 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.351 -5.764 0.333 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.726 -6.947 -1.196 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.533 -5.446 -2.080 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.033 -5.419 -2.455 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.119 -7.000 -1.702 1.00 0.00 H new ATOM 0 HE ARG A 82 14.166 -7.152 -3.762 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.646 -6.648 -3.373 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.039 -7.345 -4.948 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.683 -8.041 -5.783 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.368 -8.130 -6.306 1.00 0.00 H new ATOM 1318 N THR A 83 13.716 -6.760 2.340 1.00 0.00 N ATOM 1319 CA THR A 83 13.476 -8.017 3.032 1.00 0.00 C ATOM 1320 C THR A 83 12.088 -8.039 3.675 1.00 0.00 C ATOM 1321 O THR A 83 11.296 -8.962 3.450 1.00 0.00 O ATOM 1322 CB THR A 83 14.563 -8.232 4.105 1.00 0.00 C ATOM 1323 OG1 THR A 83 15.804 -8.575 3.475 1.00 0.00 O ATOM 1324 CG2 THR A 83 14.168 -9.306 5.106 1.00 0.00 C ATOM 0 H THR A 83 14.504 -6.227 2.707 1.00 0.00 H new ATOM 0 HA THR A 83 13.519 -8.826 2.303 1.00 0.00 H new ATOM 0 HB THR A 83 14.677 -7.299 4.657 1.00 0.00 H new ATOM 0 HG1 THR A 83 16.265 -7.757 3.193 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.961 -9.425 5.844 1.00 0.00 H new ATOM 0 HG22 THR A 83 13.246 -9.014 5.609 1.00 0.00 H new ATOM 0 HG23 THR A 83 14.013 -10.250 4.584 1.00 0.00 H new ATOM 1332 N GLU A 84 11.802 -7.016 4.475 1.00 0.00 N ATOM 1333 CA GLU A 84 10.520 -6.901 5.154 1.00 0.00 C ATOM 1334 C GLU A 84 9.358 -6.818 4.164 1.00 0.00 C ATOM 1335 O GLU A 84 8.305 -7.416 4.391 1.00 0.00 O ATOM 1336 CB GLU A 84 10.523 -5.694 6.086 1.00 0.00 C ATOM 1337 CG GLU A 84 11.624 -5.758 7.129 1.00 0.00 C ATOM 1338 CD GLU A 84 11.511 -4.679 8.183 1.00 0.00 C ATOM 1339 OE1 GLU A 84 12.302 -3.715 8.142 1.00 0.00 O ATOM 1340 OE2 GLU A 84 10.630 -4.795 9.064 1.00 0.00 O ATOM 0 H GLU A 84 12.448 -6.251 4.668 1.00 0.00 H new ATOM 0 HA GLU A 84 10.375 -7.804 5.747 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.641 -4.785 5.496 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.558 -5.626 6.587 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.600 -6.734 7.614 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.591 -5.672 6.633 1.00 0.00 H new ATOM 1347 N VAL A 85 9.546 -6.081 3.073 1.00 0.00 N ATOM 1348 CA VAL A 85 8.545 -6.019 2.015 1.00 0.00 C ATOM 1349 C VAL A 85 8.274 -7.408 1.444 1.00 0.00 C ATOM 1350 O VAL A 85 7.123 -7.822 1.324 1.00 0.00 O ATOM 1351 CB VAL A 85 8.982 -5.079 0.874 1.00 0.00 C ATOM 1352 CG1 VAL A 85 8.133 -5.305 -0.366 1.00 0.00 C ATOM 1353 CG2 VAL A 85 8.895 -3.632 1.321 1.00 0.00 C ATOM 0 H VAL A 85 10.380 -5.520 2.899 1.00 0.00 H new ATOM 0 HA VAL A 85 7.633 -5.624 2.462 1.00 0.00 H new ATOM 0 HB VAL A 85 10.018 -5.304 0.622 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.459 -4.631 -1.158 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.243 -6.337 -0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.087 -5.109 -0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.207 -2.980 0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.868 -3.399 1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.548 -3.476 2.180 1.00 0.00 H new ATOM 1363 N LEU A 86 9.345 -8.125 1.112 1.00 0.00 N ATOM 1364 CA LEU A 86 9.241 -9.455 0.519 1.00 0.00 C ATOM 1365 C LEU A 86 8.497 -10.424 1.434 1.00 0.00 C ATOM 1366 O LEU A 86 7.827 -11.341 0.965 1.00 0.00 O ATOM 1367 CB LEU A 86 10.629 -10.004 0.197 1.00 0.00 C ATOM 1368 CG LEU A 86 11.342 -9.306 -0.953 1.00 0.00 C ATOM 1369 CD1 LEU A 86 12.813 -9.683 -0.965 1.00 0.00 C ATOM 1370 CD2 LEU A 86 10.688 -9.667 -2.275 1.00 0.00 C ATOM 0 H LEU A 86 10.303 -7.803 1.246 1.00 0.00 H new ATOM 0 HA LEU A 86 8.669 -9.358 -0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.250 -9.929 1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.539 -11.064 -0.040 1.00 0.00 H new ATOM 0 HG LEU A 86 11.262 -8.228 -0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.311 -9.177 -1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.274 -9.381 -0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.911 -10.762 -1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.208 -9.161 -3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.742 -10.745 -2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.644 -9.354 -2.262 1.00 0.00 H new ATOM 1382 N LYS A 87 8.608 -10.210 2.743 1.00 0.00 N ATOM 1383 CA LYS A 87 7.882 -11.023 3.720 1.00 0.00 C ATOM 1384 C LYS A 87 6.379 -10.805 3.593 1.00 0.00 C ATOM 1385 O LYS A 87 5.578 -11.613 4.057 1.00 0.00 O ATOM 1386 CB LYS A 87 8.328 -10.687 5.146 1.00 0.00 C ATOM 1387 CG LYS A 87 9.671 -11.283 5.531 1.00 0.00 C ATOM 1388 CD LYS A 87 10.140 -10.780 6.891 1.00 0.00 C ATOM 1389 CE LYS A 87 9.076 -10.957 7.966 1.00 0.00 C ATOM 1390 NZ LYS A 87 8.765 -12.387 8.225 1.00 0.00 N ATOM 0 H LYS A 87 9.193 -9.482 3.153 1.00 0.00 H new ATOM 0 HA LYS A 87 8.109 -12.069 3.514 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.379 -9.604 5.254 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.571 -11.042 5.845 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.595 -12.370 5.551 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.413 -11.030 4.773 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.043 -11.316 7.184 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.406 -9.726 6.815 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.415 -10.489 8.890 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.166 -10.439 7.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.036 -12.455 8.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.415 -12.830 7.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.626 -12.878 8.542 1.00 0.00 H new ATOM 1404 N CYS A 88 6.012 -9.710 2.954 1.00 0.00 N ATOM 1405 CA CYS A 88 4.616 -9.361 2.756 1.00 0.00 C ATOM 1406 C CYS A 88 4.197 -9.614 1.311 1.00 0.00 C ATOM 1407 O CYS A 88 3.020 -9.503 0.963 1.00 0.00 O ATOM 1408 CB CYS A 88 4.386 -7.901 3.145 1.00 0.00 C ATOM 1409 SG CYS A 88 4.287 -7.629 4.944 1.00 0.00 S ATOM 0 H CYS A 88 6.670 -9.039 2.558 1.00 0.00 H new ATOM 0 HA CYS A 88 4.000 -9.993 3.396 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.195 -7.294 2.739 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.463 -7.552 2.682 1.00 0.00 H new ATOM 1414 N VAL A 89 5.170 -9.949 0.468 1.00 0.00 N ATOM 1415 CA VAL A 89 4.902 -10.281 -0.919 1.00 0.00 C ATOM 1416 C VAL A 89 4.784 -11.789 -1.087 1.00 0.00 C ATOM 1417 O VAL A 89 5.769 -12.515 -0.958 1.00 0.00 O ATOM 1418 CB VAL A 89 6.018 -9.788 -1.861 1.00 0.00 C ATOM 1419 CG1 VAL A 89 5.639 -10.047 -3.307 1.00 0.00 C ATOM 1420 CG2 VAL A 89 6.319 -8.318 -1.649 1.00 0.00 C ATOM 0 H VAL A 89 6.155 -9.996 0.728 1.00 0.00 H new ATOM 0 HA VAL A 89 3.968 -9.784 -1.182 1.00 0.00 H new ATOM 0 HB VAL A 89 6.923 -10.348 -1.625 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.436 -9.694 -3.961 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.492 -11.116 -3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.716 -9.517 -3.542 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.111 -8.007 -2.331 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.421 -7.731 -1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.642 -8.157 -0.620 1.00 0.00 H new ATOM 1430 N ASP A 90 3.581 -12.257 -1.359 1.00 0.00 N ATOM 1431 CA ASP A 90 3.370 -13.662 -1.666 1.00 0.00 C ATOM 1432 C ASP A 90 2.242 -13.827 -2.679 1.00 0.00 C ATOM 1433 O ASP A 90 1.713 -12.835 -3.190 1.00 0.00 O ATOM 1434 CB ASP A 90 3.125 -14.498 -0.392 1.00 0.00 C ATOM 1435 CG ASP A 90 1.939 -14.036 0.431 1.00 0.00 C ATOM 1436 OD1 ASP A 90 0.926 -14.756 0.468 1.00 0.00 O ATOM 1437 OD2 ASP A 90 2.024 -12.970 1.074 1.00 0.00 O ATOM 0 H ASP A 90 2.735 -11.687 -1.374 1.00 0.00 H new ATOM 0 HA ASP A 90 4.284 -14.046 -2.118 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.973 -15.539 -0.677 1.00 0.00 H new ATOM 0 HB3 ASP A 90 4.020 -14.465 0.229 1.00 0.00 H new ATOM 1442 N LYS A 91 1.886 -15.073 -2.965 1.00 0.00 N ATOM 1443 CA LYS A 91 1.016 -15.401 -4.094 1.00 0.00 C ATOM 1444 C LYS A 91 -0.396 -14.842 -3.942 1.00 0.00 C ATOM 1445 O LYS A 91 -0.922 -14.702 -2.834 1.00 0.00 O ATOM 1446 CB LYS A 91 0.940 -16.915 -4.283 1.00 0.00 C ATOM 1447 CG LYS A 91 2.283 -17.612 -4.154 1.00 0.00 C ATOM 1448 CD LYS A 91 2.173 -19.106 -4.423 1.00 0.00 C ATOM 1449 CE LYS A 91 1.787 -19.394 -5.868 1.00 0.00 C ATOM 1450 NZ LYS A 91 2.818 -18.919 -6.828 1.00 0.00 N ATOM 0 H LYS A 91 2.189 -15.884 -2.425 1.00 0.00 H new ATOM 0 HA LYS A 91 1.462 -14.931 -4.971 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.252 -17.331 -3.547 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.522 -17.129 -5.266 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.991 -17.168 -4.853 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.681 -17.451 -3.152 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.125 -19.587 -4.198 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.430 -19.542 -3.755 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.639 -20.466 -5.996 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.835 -18.912 -6.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.620 -19.309 -7.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.799 -17.880 -6.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.757 -19.235 -6.513 1.00 0.00 H new ATOM 1464 N ASN A 92 -1.000 -14.554 -5.087 1.00 0.00 N ATOM 1465 CA ASN A 92 -2.354 -14.018 -5.155 1.00 0.00 C ATOM 1466 C ASN A 92 -3.378 -15.139 -5.057 1.00 0.00 C ATOM 1467 O ASN A 92 -3.897 -15.613 -6.067 1.00 0.00 O ATOM 1468 CB ASN A 92 -2.552 -13.260 -6.470 1.00 0.00 C ATOM 1469 CG ASN A 92 -3.928 -12.627 -6.599 1.00 0.00 C ATOM 1470 OD1 ASN A 92 -4.592 -12.326 -5.606 1.00 0.00 O ATOM 1471 ND2 ASN A 92 -4.359 -12.411 -7.834 1.00 0.00 N ATOM 0 H ASN A 92 -0.563 -14.686 -5.999 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.496 -13.335 -4.317 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.793 -12.482 -6.550 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.396 -13.945 -7.303 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.271 -11.981 -7.988 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.779 -12.675 -8.630 1.00 0.00 H new ATOM 1478 N THR A 93 -3.662 -15.566 -3.840 1.00 0.00 N ATOM 1479 CA THR A 93 -4.648 -16.610 -3.617 1.00 0.00 C ATOM 1480 C THR A 93 -6.055 -16.016 -3.565 1.00 0.00 C ATOM 1481 O THR A 93 -7.053 -16.737 -3.583 1.00 0.00 O ATOM 1482 CB THR A 93 -4.350 -17.385 -2.318 1.00 0.00 C ATOM 1483 OG1 THR A 93 -4.391 -16.506 -1.187 1.00 0.00 O ATOM 1484 CG2 THR A 93 -2.982 -18.044 -2.390 1.00 0.00 C ATOM 0 H THR A 93 -3.225 -15.207 -2.991 1.00 0.00 H new ATOM 0 HA THR A 93 -4.591 -17.308 -4.452 1.00 0.00 H new ATOM 0 HB THR A 93 -5.114 -18.154 -2.205 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.720 -16.787 -0.530 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.790 -18.586 -1.464 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.957 -18.739 -3.229 1.00 0.00 H new ATOM 0 HG23 THR A 93 -2.217 -17.280 -2.528 1.00 0.00 H new ATOM 1492 N ASP A 94 -6.120 -14.688 -3.521 1.00 0.00 N ATOM 1493 CA ASP A 94 -7.394 -13.976 -3.477 1.00 0.00 C ATOM 1494 C ASP A 94 -8.023 -13.885 -4.859 1.00 0.00 C ATOM 1495 O ASP A 94 -9.225 -13.662 -4.987 1.00 0.00 O ATOM 1496 CB ASP A 94 -7.218 -12.564 -2.913 1.00 0.00 C ATOM 1497 CG ASP A 94 -7.055 -12.542 -1.408 1.00 0.00 C ATOM 1498 OD1 ASP A 94 -5.913 -12.684 -0.926 1.00 0.00 O ATOM 1499 OD2 ASP A 94 -8.071 -12.367 -0.700 1.00 0.00 O ATOM 0 H ASP A 94 -5.301 -14.081 -3.515 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.054 -14.545 -2.822 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.345 -12.101 -3.374 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.082 -11.959 -3.188 1.00 0.00 H new ATOM 1504 N ASN A 95 -7.187 -14.045 -5.889 1.00 0.00 N ATOM 1505 CA ASN A 95 -7.629 -14.028 -7.287 1.00 0.00 C ATOM 1506 C ASN A 95 -8.227 -12.681 -7.682 1.00 0.00 C ATOM 1507 O ASN A 95 -8.958 -12.582 -8.669 1.00 0.00 O ATOM 1508 CB ASN A 95 -8.648 -15.136 -7.557 1.00 0.00 C ATOM 1509 CG ASN A 95 -8.044 -16.526 -7.558 1.00 0.00 C ATOM 1510 OD1 ASN A 95 -7.026 -16.786 -6.915 1.00 0.00 O ATOM 1511 ND2 ASN A 95 -8.682 -17.436 -8.272 1.00 0.00 N ATOM 0 H ASN A 95 -6.184 -14.190 -5.777 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.741 -14.200 -7.895 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.432 -15.090 -6.801 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.123 -14.954 -8.521 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -8.334 -18.394 -8.305 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -9.522 -17.180 -8.791 1.00 0.00 H new ATOM 1518 N ASN A 96 -7.904 -11.646 -6.920 1.00 0.00 N ATOM 1519 CA ASN A 96 -8.448 -10.316 -7.159 1.00 0.00 C ATOM 1520 C ASN A 96 -7.422 -9.257 -6.770 1.00 0.00 C ATOM 1521 O ASN A 96 -6.897 -9.275 -5.657 1.00 0.00 O ATOM 1522 CB ASN A 96 -9.748 -10.140 -6.363 1.00 0.00 C ATOM 1523 CG ASN A 96 -10.235 -8.705 -6.328 1.00 0.00 C ATOM 1524 OD1 ASN A 96 -9.896 -7.950 -5.419 1.00 0.00 O ATOM 1525 ND2 ASN A 96 -11.029 -8.316 -7.311 1.00 0.00 N ATOM 0 H ASN A 96 -7.265 -11.702 -6.127 1.00 0.00 H new ATOM 0 HA ASN A 96 -8.673 -10.199 -8.219 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -10.523 -10.770 -6.801 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -9.592 -10.489 -5.342 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -11.383 -7.360 -7.333 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -11.288 -8.972 -8.048 1.00 0.00 H new ATOM 1532 N ALA A 97 -7.139 -8.343 -7.694 1.00 0.00 N ATOM 1533 CA ALA A 97 -6.079 -7.356 -7.505 1.00 0.00 C ATOM 1534 C ALA A 97 -6.430 -6.336 -6.426 1.00 0.00 C ATOM 1535 O ALA A 97 -5.538 -5.787 -5.783 1.00 0.00 O ATOM 1536 CB ALA A 97 -5.759 -6.654 -8.816 1.00 0.00 C ATOM 0 H ALA A 97 -7.631 -8.265 -8.584 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.194 -7.895 -7.168 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -4.967 -5.923 -8.653 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.430 -7.388 -9.551 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.651 -6.147 -9.184 1.00 0.00 H new ATOM 1542 N CYS A 98 -7.721 -6.076 -6.228 1.00 0.00 N ATOM 1543 CA CYS A 98 -8.150 -5.176 -5.158 1.00 0.00 C ATOM 1544 C CYS A 98 -7.760 -5.771 -3.807 1.00 0.00 C ATOM 1545 O CYS A 98 -7.293 -5.069 -2.911 1.00 0.00 O ATOM 1546 CB CYS A 98 -9.664 -4.927 -5.215 1.00 0.00 C ATOM 1547 SG CYS A 98 -10.279 -4.380 -6.848 1.00 0.00 S ATOM 0 H CYS A 98 -8.479 -6.469 -6.786 1.00 0.00 H new ATOM 0 HA CYS A 98 -7.652 -4.216 -5.290 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -10.182 -5.844 -4.934 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -9.924 -4.174 -4.471 1.00 0.00 H new ATOM 1552 N HIS A 99 -7.923 -7.082 -3.694 1.00 0.00 N ATOM 1553 CA HIS A 99 -7.561 -7.807 -2.484 1.00 0.00 C ATOM 1554 C HIS A 99 -6.051 -7.901 -2.333 1.00 0.00 C ATOM 1555 O HIS A 99 -5.520 -7.674 -1.256 1.00 0.00 O ATOM 1556 CB HIS A 99 -8.150 -9.218 -2.512 1.00 0.00 C ATOM 1557 CG HIS A 99 -9.518 -9.334 -1.914 1.00 0.00 C ATOM 1558 ND1 HIS A 99 -9.801 -10.179 -0.864 1.00 0.00 N ATOM 1559 CD2 HIS A 99 -10.688 -8.729 -2.233 1.00 0.00 C ATOM 1560 CE1 HIS A 99 -11.082 -10.090 -0.560 1.00 0.00 C ATOM 1561 NE2 HIS A 99 -11.640 -9.219 -1.376 1.00 0.00 N ATOM 0 H HIS A 99 -8.307 -7.670 -4.434 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.968 -7.256 -1.636 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.189 -9.561 -3.546 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.477 -9.889 -1.979 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -9.125 -10.781 -0.394 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -10.842 -7.999 -3.014 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -11.586 -10.637 0.223 1.00 0.00 H new ATOM 1570 N TRP A 100 -5.374 -8.228 -3.425 1.00 0.00 N ATOM 1571 CA TRP A 100 -3.931 -8.482 -3.400 1.00 0.00 C ATOM 1572 C TRP A 100 -3.156 -7.233 -2.977 1.00 0.00 C ATOM 1573 O TRP A 100 -2.230 -7.308 -2.168 1.00 0.00 O ATOM 1574 CB TRP A 100 -3.456 -8.962 -4.777 1.00 0.00 C ATOM 1575 CG TRP A 100 -2.103 -9.616 -4.762 1.00 0.00 C ATOM 1576 CD1 TRP A 100 -1.369 -9.972 -3.665 1.00 0.00 C ATOM 1577 CD2 TRP A 100 -1.339 -10.022 -5.902 1.00 0.00 C ATOM 1578 NE1 TRP A 100 -0.194 -10.566 -4.055 1.00 0.00 N ATOM 1579 CE2 TRP A 100 -0.152 -10.609 -5.424 1.00 0.00 C ATOM 1580 CE3 TRP A 100 -1.543 -9.947 -7.284 1.00 0.00 C ATOM 1581 CZ2 TRP A 100 0.825 -11.116 -6.277 1.00 0.00 C ATOM 1582 CZ3 TRP A 100 -0.573 -10.452 -8.129 1.00 0.00 C ATOM 1583 CH2 TRP A 100 0.598 -11.030 -7.626 1.00 0.00 C ATOM 0 H TRP A 100 -5.800 -8.325 -4.347 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.737 -9.262 -2.664 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -4.185 -9.667 -5.176 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -3.430 -8.111 -5.458 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -1.670 -9.810 -2.640 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.530 -10.918 -3.428 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -2.443 -9.502 -7.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 1.729 -11.561 -5.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -0.721 -10.400 -9.197 1.00 0.00 H new ATOM 0 HH2 TRP A 100 1.336 -11.415 -8.313 1.00 0.00 H new ATOM 1594 N ALA A 101 -3.546 -6.088 -3.519 1.00 0.00 N ATOM 1595 CA ALA A 101 -2.904 -4.827 -3.179 1.00 0.00 C ATOM 1596 C ALA A 101 -3.129 -4.486 -1.713 1.00 0.00 C ATOM 1597 O ALA A 101 -2.200 -4.101 -1.000 1.00 0.00 O ATOM 1598 CB ALA A 101 -3.425 -3.716 -4.069 1.00 0.00 C ATOM 0 H ALA A 101 -4.304 -6.007 -4.196 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.831 -4.931 -3.343 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.937 -2.778 -3.804 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.212 -3.954 -5.111 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.502 -3.615 -3.933 1.00 0.00 H new ATOM 1604 N PHE A 102 -4.370 -4.653 -1.264 1.00 0.00 N ATOM 1605 CA PHE A 102 -4.722 -4.398 0.124 1.00 0.00 C ATOM 1606 C PHE A 102 -4.015 -5.394 1.037 1.00 0.00 C ATOM 1607 O PHE A 102 -3.659 -5.080 2.167 1.00 0.00 O ATOM 1608 CB PHE A 102 -6.235 -4.487 0.309 1.00 0.00 C ATOM 1609 CG PHE A 102 -6.691 -4.232 1.721 1.00 0.00 C ATOM 1610 CD1 PHE A 102 -7.130 -5.270 2.530 1.00 0.00 C ATOM 1611 CD2 PHE A 102 -6.681 -2.948 2.237 1.00 0.00 C ATOM 1612 CE1 PHE A 102 -7.547 -5.028 3.825 1.00 0.00 C ATOM 1613 CE2 PHE A 102 -7.097 -2.700 3.530 1.00 0.00 C ATOM 1614 CZ PHE A 102 -7.531 -3.740 4.325 1.00 0.00 C ATOM 0 H PHE A 102 -5.148 -4.965 -1.845 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.398 -3.392 0.390 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.716 -3.767 -0.354 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.572 -5.477 0.002 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -7.146 -6.278 2.143 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -6.343 -2.129 1.620 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.885 -5.845 4.446 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -7.083 -1.692 3.918 1.00 0.00 H new ATOM 0 HZ PHE A 102 -7.858 -3.548 5.336 1.00 0.00 H new ATOM 1624 N ARG A 103 -3.800 -6.588 0.509 1.00 0.00 N ATOM 1625 CA ARG A 103 -3.176 -7.685 1.237 1.00 0.00 C ATOM 1626 C ARG A 103 -1.716 -7.364 1.545 1.00 0.00 C ATOM 1627 O ARG A 103 -1.244 -7.574 2.665 1.00 0.00 O ATOM 1628 CB ARG A 103 -3.298 -8.955 0.386 1.00 0.00 C ATOM 1629 CG ARG A 103 -2.685 -10.211 0.979 1.00 0.00 C ATOM 1630 CD ARG A 103 -2.877 -11.391 0.033 1.00 0.00 C ATOM 1631 NE ARG A 103 -2.110 -12.564 0.425 1.00 0.00 N ATOM 1632 CZ ARG A 103 -2.491 -13.807 0.156 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -3.663 -14.033 -0.427 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -1.703 -14.824 0.465 1.00 0.00 N ATOM 0 H ARG A 103 -4.056 -6.827 -0.449 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.679 -7.836 2.192 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.355 -9.143 0.198 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.831 -8.768 -0.581 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.622 -10.053 1.163 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -3.147 -10.429 1.942 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -3.935 -11.651 -0.005 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -2.586 -11.093 -0.974 1.00 0.00 H new ATOM 0 HE ARG A 103 -1.236 -12.424 0.932 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -4.272 -13.251 -0.669 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -3.954 -14.989 -0.633 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -0.801 -14.654 0.911 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -1.997 -15.778 0.258 1.00 0.00 H new ATOM 1648 N GLY A 104 -1.015 -6.831 0.550 1.00 0.00 N ATOM 1649 CA GLY A 104 0.374 -6.453 0.737 1.00 0.00 C ATOM 1650 C GLY A 104 0.514 -5.294 1.702 1.00 0.00 C ATOM 1651 O GLY A 104 1.364 -5.310 2.596 1.00 0.00 O ATOM 0 H GLY A 104 -1.384 -6.654 -0.384 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.937 -7.308 1.111 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.810 -6.181 -0.224 1.00 0.00 H new ATOM 1655 N PHE A 105 -0.342 -4.294 1.526 1.00 0.00 N ATOM 1656 CA PHE A 105 -0.329 -3.104 2.362 1.00 0.00 C ATOM 1657 C PHE A 105 -0.652 -3.457 3.814 1.00 0.00 C ATOM 1658 O PHE A 105 0.046 -3.035 4.734 1.00 0.00 O ATOM 1659 CB PHE A 105 -1.332 -2.083 1.809 1.00 0.00 C ATOM 1660 CG PHE A 105 -1.594 -0.906 2.710 1.00 0.00 C ATOM 1661 CD1 PHE A 105 -0.543 -0.185 3.254 1.00 0.00 C ATOM 1662 CD2 PHE A 105 -2.892 -0.510 2.998 1.00 0.00 C ATOM 1663 CE1 PHE A 105 -0.782 0.905 4.069 1.00 0.00 C ATOM 1664 CE2 PHE A 105 -3.134 0.577 3.814 1.00 0.00 C ATOM 1665 CZ PHE A 105 -2.078 1.285 4.349 1.00 0.00 C ATOM 0 H PHE A 105 -1.061 -4.287 0.802 1.00 0.00 H new ATOM 0 HA PHE A 105 0.669 -2.666 2.345 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -0.964 -1.715 0.851 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.276 -2.591 1.614 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.474 -0.478 3.039 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -3.723 -1.058 2.579 1.00 0.00 H new ATOM 0 HE1 PHE A 105 0.046 1.459 4.487 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -4.149 0.873 4.033 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.266 2.136 4.987 1.00 0.00 H new ATOM 1675 N LYS A 106 -1.690 -4.265 3.994 1.00 0.00 N ATOM 1676 CA LYS A 106 -2.163 -4.661 5.321 1.00 0.00 C ATOM 1677 C LYS A 106 -1.076 -5.396 6.101 1.00 0.00 C ATOM 1678 O LYS A 106 -0.887 -5.156 7.296 1.00 0.00 O ATOM 1679 CB LYS A 106 -3.432 -5.526 5.193 1.00 0.00 C ATOM 1680 CG LYS A 106 -3.642 -6.524 6.318 1.00 0.00 C ATOM 1681 CD LYS A 106 -4.870 -7.390 6.066 1.00 0.00 C ATOM 1682 CE LYS A 106 -4.993 -8.518 7.081 1.00 0.00 C ATOM 1683 NZ LYS A 106 -6.218 -9.334 6.865 1.00 0.00 N ATOM 0 H LYS A 106 -2.229 -4.666 3.227 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.411 -3.759 5.880 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -4.299 -4.868 5.144 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.390 -6.069 4.249 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -2.761 -7.158 6.414 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -3.757 -5.992 7.262 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.765 -6.769 6.104 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -4.817 -7.811 5.062 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -4.114 -9.160 7.017 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -5.010 -8.099 8.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.297 -10.047 7.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.054 -8.716 6.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -6.160 -9.810 5.942 1.00 0.00 H new ATOM 1697 N CYS A 107 -0.356 -6.275 5.416 1.00 0.00 N ATOM 1698 CA CYS A 107 0.713 -7.041 6.038 1.00 0.00 C ATOM 1699 C CYS A 107 1.832 -6.130 6.537 1.00 0.00 C ATOM 1700 O CYS A 107 2.300 -6.262 7.668 1.00 0.00 O ATOM 1701 CB CYS A 107 1.264 -8.066 5.038 1.00 0.00 C ATOM 1702 SG CYS A 107 2.811 -8.882 5.561 1.00 0.00 S ATOM 0 H CYS A 107 -0.495 -6.475 4.425 1.00 0.00 H new ATOM 0 HA CYS A 107 0.303 -7.564 6.902 1.00 0.00 H new ATOM 0 HB2 CYS A 107 0.506 -8.830 4.866 1.00 0.00 H new ATOM 0 HB3 CYS A 107 1.436 -7.567 4.084 1.00 0.00 H new ATOM 1707 N PHE A 108 2.238 -5.187 5.699 1.00 0.00 N ATOM 1708 CA PHE A 108 3.398 -4.356 5.982 1.00 0.00 C ATOM 1709 C PHE A 108 3.088 -3.316 7.058 1.00 0.00 C ATOM 1710 O PHE A 108 3.850 -3.152 8.013 1.00 0.00 O ATOM 1711 CB PHE A 108 3.860 -3.677 4.696 1.00 0.00 C ATOM 1712 CG PHE A 108 5.236 -3.078 4.778 1.00 0.00 C ATOM 1713 CD1 PHE A 108 6.355 -3.850 4.502 1.00 0.00 C ATOM 1714 CD2 PHE A 108 5.414 -1.749 5.122 1.00 0.00 C ATOM 1715 CE1 PHE A 108 7.622 -3.304 4.568 1.00 0.00 C ATOM 1716 CE2 PHE A 108 6.679 -1.200 5.191 1.00 0.00 C ATOM 1717 CZ PHE A 108 7.784 -1.979 4.912 1.00 0.00 C ATOM 0 H PHE A 108 1.778 -4.978 4.813 1.00 0.00 H new ATOM 0 HA PHE A 108 4.197 -4.991 6.364 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.841 -4.406 3.886 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.149 -2.893 4.436 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.234 -4.889 4.233 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.553 -1.134 5.339 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.486 -3.915 4.350 1.00 0.00 H new ATOM 0 HE2 PHE A 108 6.804 -0.162 5.463 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.774 -1.551 4.963 1.00 0.00 H new ATOM 1727 N GLN A 109 1.950 -2.639 6.916 1.00 0.00 N ATOM 1728 CA GLN A 109 1.551 -1.587 7.849 1.00 0.00 C ATOM 1729 C GLN A 109 1.265 -2.153 9.239 1.00 0.00 C ATOM 1730 O GLN A 109 1.134 -1.405 10.207 1.00 0.00 O ATOM 1731 CB GLN A 109 0.320 -0.842 7.315 1.00 0.00 C ATOM 1732 CG GLN A 109 -0.966 -1.662 7.295 1.00 0.00 C ATOM 1733 CD GLN A 109 -1.798 -1.494 8.556 1.00 0.00 C ATOM 1734 OE1 GLN A 109 -1.793 -0.435 9.184 1.00 0.00 O ATOM 1735 NE2 GLN A 109 -2.509 -2.540 8.943 1.00 0.00 N ATOM 0 H GLN A 109 1.285 -2.801 6.160 1.00 0.00 H new ATOM 0 HA GLN A 109 2.381 -0.886 7.938 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.158 0.047 7.925 1.00 0.00 H new ATOM 0 HB3 GLN A 109 0.531 -0.499 6.302 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.563 -1.370 6.431 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.717 -2.716 7.169 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -2.488 -3.401 8.397 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -3.078 -2.485 9.788 1.00 0.00 H new ATOM 1744 N LYS A 110 1.168 -3.472 9.329 1.00 0.00 N ATOM 1745 CA LYS A 110 0.896 -4.136 10.590 1.00 0.00 C ATOM 1746 C LYS A 110 2.031 -3.907 11.580 1.00 0.00 C ATOM 1747 O LYS A 110 1.795 -3.708 12.771 1.00 0.00 O ATOM 1748 CB LYS A 110 0.691 -5.631 10.352 1.00 0.00 C ATOM 1749 CG LYS A 110 0.377 -6.415 11.613 1.00 0.00 C ATOM 1750 CD LYS A 110 0.166 -7.892 11.324 1.00 0.00 C ATOM 1751 CE LYS A 110 -0.981 -8.122 10.353 1.00 0.00 C ATOM 1752 NZ LYS A 110 -1.209 -9.567 10.095 1.00 0.00 N ATOM 0 H LYS A 110 1.275 -4.105 8.536 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.014 -3.714 11.017 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.122 -5.768 9.639 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.590 -6.043 9.894 1.00 0.00 H new ATOM 0 HG2 LYS A 110 1.193 -6.298 12.326 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.518 -6.005 12.082 1.00 0.00 H new ATOM 0 HD2 LYS A 110 1.082 -8.315 10.911 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -0.037 -8.419 12.256 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.891 -7.677 10.755 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.767 -7.615 9.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.999 -9.680 9.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -0.349 -9.987 9.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -1.439 -10.047 10.988 1.00 0.00 H new ATOM 1766 N ASN A 111 3.261 -3.905 11.087 1.00 0.00 N ATOM 1767 CA ASN A 111 4.416 -3.766 11.965 1.00 0.00 C ATOM 1768 C ASN A 111 5.301 -2.596 11.538 1.00 0.00 C ATOM 1769 O ASN A 111 6.108 -2.105 12.322 1.00 0.00 O ATOM 1770 CB ASN A 111 5.212 -5.083 12.016 1.00 0.00 C ATOM 1771 CG ASN A 111 6.594 -5.007 11.384 1.00 0.00 C ATOM 1772 OD1 ASN A 111 7.581 -4.676 12.045 1.00 0.00 O ATOM 1773 ND2 ASN A 111 6.682 -5.344 10.108 1.00 0.00 N ATOM 0 H ASN A 111 3.485 -3.997 10.096 1.00 0.00 H new ATOM 0 HA ASN A 111 4.056 -3.547 12.970 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.318 -5.389 13.057 1.00 0.00 H new ATOM 0 HB3 ASN A 111 4.638 -5.860 11.512 1.00 0.00 H new ATOM 0 HD21 ASN A 111 7.588 -5.335 9.640 1.00 0.00 H new ATOM 0 HD22 ASN A 111 5.844 -5.613 9.592 1.00 0.00 H new ATOM 1780 N ASN A 112 5.127 -2.128 10.308 1.00 0.00 N ATOM 1781 CA ASN A 112 5.961 -1.048 9.787 1.00 0.00 C ATOM 1782 C ASN A 112 5.113 0.093 9.237 1.00 0.00 C ATOM 1783 O ASN A 112 5.229 0.453 8.067 1.00 0.00 O ATOM 1784 CB ASN A 112 6.893 -1.566 8.688 1.00 0.00 C ATOM 1785 CG ASN A 112 8.032 -2.412 9.221 1.00 0.00 C ATOM 1786 OD1 ASN A 112 8.558 -2.161 10.304 1.00 0.00 O ATOM 1787 ND2 ASN A 112 8.408 -3.437 8.471 1.00 0.00 N ATOM 0 H ASN A 112 4.423 -2.475 9.656 1.00 0.00 H new ATOM 0 HA ASN A 112 6.557 -0.669 10.617 1.00 0.00 H new ATOM 0 HB2 ASN A 112 6.314 -2.155 7.977 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.304 -0.718 8.140 1.00 0.00 H new ATOM 0 HD21 ASN A 112 9.159 -4.051 8.786 1.00 0.00 H new ATOM 0 HD22 ASN A 112 7.947 -3.612 7.578 1.00 0.00 H new ATOM 1794 N LEU A 113 4.271 0.673 10.082 1.00 0.00 N ATOM 1795 CA LEU A 113 3.400 1.755 9.642 1.00 0.00 C ATOM 1796 C LEU A 113 4.106 3.108 9.731 1.00 0.00 C ATOM 1797 O LEU A 113 3.900 3.982 8.886 1.00 0.00 O ATOM 1798 CB LEU A 113 2.099 1.778 10.447 1.00 0.00 C ATOM 1799 CG LEU A 113 1.166 2.945 10.130 1.00 0.00 C ATOM 1800 CD1 LEU A 113 0.684 2.860 8.689 1.00 0.00 C ATOM 1801 CD2 LEU A 113 -0.012 2.949 11.092 1.00 0.00 C ATOM 0 H LEU A 113 4.173 0.417 11.064 1.00 0.00 H new ATOM 0 HA LEU A 113 3.153 1.569 8.597 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.563 0.845 10.270 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.346 1.808 11.508 1.00 0.00 H new ATOM 0 HG LEU A 113 1.715 3.879 10.252 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.020 3.698 8.477 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.541 2.897 8.016 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.146 1.924 8.540 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.671 3.785 10.857 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.564 2.014 10.995 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.353 3.051 12.114 1.00 0.00 H new ATOM 1813 N SER A 114 4.946 3.273 10.748 1.00 0.00 N ATOM 1814 CA SER A 114 5.688 4.520 10.929 1.00 0.00 C ATOM 1815 C SER A 114 6.601 4.783 9.733 1.00 0.00 C ATOM 1816 O SER A 114 6.811 5.934 9.344 1.00 0.00 O ATOM 1817 CB SER A 114 6.512 4.471 12.218 1.00 0.00 C ATOM 1818 OG SER A 114 5.684 4.221 13.345 1.00 0.00 O ATOM 0 H SER A 114 5.131 2.564 11.457 1.00 0.00 H new ATOM 0 HA SER A 114 4.969 5.336 11.003 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.270 3.691 12.139 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.039 5.416 12.352 1.00 0.00 H new ATOM 0 HG SER A 114 6.234 4.193 14.155 1.00 0.00 H new ATOM 1824 N LEU A 115 7.123 3.709 9.144 1.00 0.00 N ATOM 1825 CA LEU A 115 7.959 3.816 7.961 1.00 0.00 C ATOM 1826 C LEU A 115 7.149 4.359 6.794 1.00 0.00 C ATOM 1827 O LEU A 115 7.611 5.224 6.055 1.00 0.00 O ATOM 1828 CB LEU A 115 8.538 2.453 7.591 1.00 0.00 C ATOM 1829 CG LEU A 115 9.484 2.462 6.391 1.00 0.00 C ATOM 1830 CD1 LEU A 115 10.713 3.291 6.705 1.00 0.00 C ATOM 1831 CD2 LEU A 115 9.872 1.046 6.001 1.00 0.00 C ATOM 0 H LEU A 115 6.978 2.754 9.472 1.00 0.00 H new ATOM 0 HA LEU A 115 8.778 4.501 8.180 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.072 2.055 8.454 1.00 0.00 H new ATOM 0 HB3 LEU A 115 7.715 1.769 7.382 1.00 0.00 H new ATOM 0 HG LEU A 115 8.968 2.913 5.543 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.381 3.291 5.844 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.413 4.314 6.932 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.230 2.865 7.565 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.546 1.076 5.145 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.372 0.562 6.840 1.00 0.00 H new ATOM 0 HD23 LEU A 115 8.977 0.483 5.739 1.00 0.00 H new ATOM 1843 N ILE A 116 5.926 3.857 6.659 1.00 0.00 N ATOM 1844 CA ILE A 116 5.040 4.253 5.576 1.00 0.00 C ATOM 1845 C ILE A 116 4.765 5.753 5.631 1.00 0.00 C ATOM 1846 O ILE A 116 4.807 6.446 4.613 1.00 0.00 O ATOM 1847 CB ILE A 116 3.712 3.468 5.642 1.00 0.00 C ATOM 1848 CG1 ILE A 116 3.963 1.993 5.332 1.00 0.00 C ATOM 1849 CG2 ILE A 116 2.691 4.045 4.675 1.00 0.00 C ATOM 1850 CD1 ILE A 116 2.737 1.124 5.504 1.00 0.00 C ATOM 0 H ILE A 116 5.525 3.168 7.295 1.00 0.00 H new ATOM 0 HA ILE A 116 5.534 4.021 4.632 1.00 0.00 H new ATOM 0 HB ILE A 116 3.309 3.556 6.651 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.323 1.901 4.307 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.755 1.623 5.982 1.00 0.00 H new ATOM 0 HG21 ILE A 116 1.765 3.474 4.741 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.495 5.086 4.931 1.00 0.00 H new ATOM 0 HG23 ILE A 116 3.080 3.989 3.658 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.988 0.090 5.267 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.389 1.186 6.535 1.00 0.00 H new ATOM 0 HD13 ILE A 116 1.950 1.469 4.834 1.00 0.00 H new ATOM 1862 N LYS A 117 4.519 6.245 6.837 1.00 0.00 N ATOM 1863 CA LYS A 117 4.269 7.661 7.056 1.00 0.00 C ATOM 1864 C LYS A 117 5.500 8.494 6.706 1.00 0.00 C ATOM 1865 O LYS A 117 5.391 9.587 6.152 1.00 0.00 O ATOM 1866 CB LYS A 117 3.878 7.911 8.512 1.00 0.00 C ATOM 1867 CG LYS A 117 2.508 7.363 8.889 1.00 0.00 C ATOM 1868 CD LYS A 117 2.170 7.655 10.346 1.00 0.00 C ATOM 1869 CE LYS A 117 0.775 7.175 10.713 1.00 0.00 C ATOM 1870 NZ LYS A 117 0.458 7.445 12.139 1.00 0.00 N ATOM 0 H LYS A 117 4.487 5.678 7.685 1.00 0.00 H new ATOM 0 HA LYS A 117 3.448 7.962 6.405 1.00 0.00 H new ATOM 0 HB2 LYS A 117 4.629 7.461 9.161 1.00 0.00 H new ATOM 0 HB3 LYS A 117 3.894 8.984 8.702 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.749 7.804 8.243 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.486 6.287 8.718 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.902 7.171 10.992 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.244 8.727 10.528 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.041 7.670 10.077 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.695 6.105 10.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.501 7.104 12.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.144 6.952 12.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.509 8.468 12.318 1.00 0.00 H new ATOM 1884 N ALA A 118 6.673 7.965 7.030 1.00 0.00 N ATOM 1885 CA ALA A 118 7.926 8.668 6.790 1.00 0.00 C ATOM 1886 C ALA A 118 8.352 8.596 5.325 1.00 0.00 C ATOM 1887 O ALA A 118 9.099 9.451 4.849 1.00 0.00 O ATOM 1888 CB ALA A 118 9.008 8.096 7.684 1.00 0.00 C ATOM 0 H ALA A 118 6.782 7.047 7.462 1.00 0.00 H new ATOM 0 HA ALA A 118 7.772 9.721 7.027 1.00 0.00 H new ATOM 0 HB1 ALA A 118 9.945 8.623 7.504 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.719 8.217 8.728 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.139 7.036 7.464 1.00 0.00 H new ATOM 1894 N SER A 119 7.871 7.585 4.614 1.00 0.00 N ATOM 1895 CA SER A 119 8.235 7.393 3.214 1.00 0.00 C ATOM 1896 C SER A 119 7.677 8.509 2.332 1.00 0.00 C ATOM 1897 O SER A 119 8.331 8.950 1.386 1.00 0.00 O ATOM 1898 CB SER A 119 7.734 6.037 2.721 1.00 0.00 C ATOM 1899 OG SER A 119 8.246 4.991 3.524 1.00 0.00 O ATOM 0 H SER A 119 7.228 6.884 4.982 1.00 0.00 H new ATOM 0 HA SER A 119 9.322 7.423 3.145 1.00 0.00 H new ATOM 0 HB2 SER A 119 6.644 6.017 2.741 1.00 0.00 H new ATOM 0 HB3 SER A 119 8.036 5.887 1.684 1.00 0.00 H new ATOM 0 HG SER A 119 7.708 4.911 4.339 1.00 0.00 H new ATOM 1905 N ILE A 120 6.474 8.968 2.654 1.00 0.00 N ATOM 1906 CA ILE A 120 5.826 10.023 1.881 1.00 0.00 C ATOM 1907 C ILE A 120 6.148 11.402 2.453 1.00 0.00 C ATOM 1908 O ILE A 120 5.646 12.421 1.972 1.00 0.00 O ATOM 1909 CB ILE A 120 4.295 9.843 1.851 1.00 0.00 C ATOM 1910 CG1 ILE A 120 3.739 9.785 3.273 1.00 0.00 C ATOM 1911 CG2 ILE A 120 3.925 8.585 1.082 1.00 0.00 C ATOM 1912 CD1 ILE A 120 2.234 9.885 3.337 1.00 0.00 C ATOM 0 H ILE A 120 5.927 8.627 3.444 1.00 0.00 H new ATOM 0 HA ILE A 120 6.214 9.950 0.865 1.00 0.00 H new ATOM 0 HB ILE A 120 3.854 10.700 1.342 1.00 0.00 H new ATOM 0 HG12 ILE A 120 4.053 8.851 3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 120 4.174 10.595 3.858 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.841 8.472 1.070 1.00 0.00 H new ATOM 0 HG22 ILE A 120 4.293 8.662 0.059 1.00 0.00 H new ATOM 0 HG23 ILE A 120 4.375 7.718 1.565 1.00 0.00 H new ATOM 0 HD11 ILE A 120 1.910 9.837 4.377 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.913 10.831 2.900 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.791 9.060 2.780 1.00 0.00 H new ATOM 1924 N LYS A 121 6.980 11.425 3.484 1.00 0.00 N ATOM 1925 CA LYS A 121 7.336 12.664 4.151 1.00 0.00 C ATOM 1926 C LYS A 121 8.552 13.313 3.502 1.00 0.00 C ATOM 1927 O LYS A 121 9.554 12.648 3.228 1.00 0.00 O ATOM 1928 CB LYS A 121 7.621 12.395 5.629 1.00 0.00 C ATOM 1929 CG LYS A 121 8.023 13.638 6.410 1.00 0.00 C ATOM 1930 CD LYS A 121 8.303 13.326 7.873 1.00 0.00 C ATOM 1931 CE LYS A 121 9.466 12.357 8.041 1.00 0.00 C ATOM 1932 NZ LYS A 121 10.731 12.890 7.468 1.00 0.00 N ATOM 0 H LYS A 121 7.422 10.594 3.877 1.00 0.00 H new ATOM 0 HA LYS A 121 6.495 13.351 4.059 1.00 0.00 H new ATOM 0 HB2 LYS A 121 6.733 11.960 6.088 1.00 0.00 H new ATOM 0 HB3 LYS A 121 8.417 11.654 5.708 1.00 0.00 H new ATOM 0 HG2 LYS A 121 8.911 14.079 5.957 1.00 0.00 H new ATOM 0 HG3 LYS A 121 7.228 14.381 6.343 1.00 0.00 H new ATOM 0 HD2 LYS A 121 8.524 14.252 8.405 1.00 0.00 H new ATOM 0 HD3 LYS A 121 7.409 12.901 8.330 1.00 0.00 H new ATOM 0 HE2 LYS A 121 9.610 12.146 9.101 1.00 0.00 H new ATOM 0 HE3 LYS A 121 9.221 11.411 7.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 11.527 12.290 7.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 10.668 12.892 6.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 10.884 13.861 7.808 1.00 0.00 H new