USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 667 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 55 HIS :FLIP no HE2:sc= 0.0458 F(o=0.16,f=0.72) USER MOD Set 1.2: A 88 SER OG : rot 61:sc= 0.672 USER MOD Set 2.1: A 49 LYS NZ :NH3+ -173:sc= 0.879 (180deg=0.651) USER MOD Set 2.2: A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 161:sc= -0.0696 (180deg=-0.405) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 MET CE :methyl 167:sc= -2.29! (180deg=-3.38!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -111:sc= -0.249 (180deg=-4.62!) USER MOD Single : A 18 GLN : amide:sc= -11.2! C(o=-11!,f=-20!) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.422 F(o=-2.2,f=-0.42) USER MOD Single : A 24 CYS SG : rot 100:sc= -1.57 USER MOD Single : A 26 THR OG1 : rot 95:sc= 1.15 USER MOD Single : A 27 GLN : amide:sc= -0.419 X(o=-0.42,f=0) USER MOD Single : A 29 MET CE :methyl -144:sc= -0.161 (180deg=-0.839) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.6 K(o=-1.6,f=-4.4!) USER MOD Single : A 36 LYS NZ :NH3+ -167:sc= -0.0438 (180deg=-0.299) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -164:sc= 1.23 (180deg=0.857) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 155:sc= -0.256 (180deg=-1.04) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot -54:sc= -2.89! USER MOD Single : A 61 ASN :FLIP amide:sc= -1.09 F(o=-4.8!,f=-1.1) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -1.41 K(o=-1.4,f=-4.8!) USER MOD Single : A 70 THR OG1 : rot 70:sc= -2.55! USER MOD Single : A 71 LYS NZ :NH3+ -166:sc= -0.0445 (180deg=-0.29) USER MOD Single : A 72 HIS : no HD1:sc= -4.41! C(o=-4.4!,f=-8.7!) USER MOD Single : A 75 TYR OH : rot 180:sc= -3.59! USER MOD Single : A 77 TYR OH : rot 180:sc= -0.0391 USER MOD Single : A 80 GLN :FLIP amide:sc= -1.61! C(o=-3.4!,f=-1.6!) USER MOD Single : A 87 LYS NZ :NH3+ 158:sc= -0.0877 (180deg=-0.599) USER MOD ----------------------------------------------------------------- ATOM 89 N ALA A 6 7.108 8.076 4.600 1.00 0.00 N ATOM 90 CA ALA A 6 7.018 6.655 4.914 1.00 0.00 C ATOM 91 C ALA A 6 6.584 6.442 6.360 1.00 0.00 C ATOM 92 O ALA A 6 7.416 6.248 7.247 1.00 0.00 O ATOM 93 CB ALA A 6 8.353 5.970 4.657 1.00 0.00 C ATOM 0 HA ALA A 6 6.264 6.211 4.264 1.00 0.00 H new ATOM 0 HB1 ALA A 6 8.270 4.910 4.896 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.625 6.085 3.608 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.121 6.424 5.283 1.00 0.00 H new ATOM 99 N VAL A 7 5.276 6.485 6.592 1.00 0.00 N ATOM 100 CA VAL A 7 4.732 6.300 7.930 1.00 0.00 C ATOM 101 C VAL A 7 3.723 5.154 7.960 1.00 0.00 C ATOM 102 O VAL A 7 2.863 5.047 7.086 1.00 0.00 O ATOM 103 CB VAL A 7 4.053 7.588 8.435 1.00 0.00 C ATOM 104 CG1 VAL A 7 3.500 7.394 9.840 1.00 0.00 C ATOM 105 CG2 VAL A 7 5.029 8.754 8.396 1.00 0.00 C ATOM 0 H VAL A 7 4.574 6.646 5.870 1.00 0.00 H new ATOM 0 HA VAL A 7 5.567 6.056 8.586 1.00 0.00 H new ATOM 0 HB VAL A 7 3.218 7.816 7.773 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.026 8.316 10.175 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.765 6.589 9.834 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.313 7.137 10.519 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.533 9.656 8.756 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.886 8.533 9.032 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.368 8.911 7.372 1.00 0.00 H new ATOM 115 N ILE A 8 3.842 4.293 8.967 1.00 0.00 N ATOM 116 CA ILE A 8 2.950 3.151 9.107 1.00 0.00 C ATOM 117 C ILE A 8 2.052 3.300 10.331 1.00 0.00 C ATOM 118 O ILE A 8 2.477 3.043 11.457 1.00 0.00 O ATOM 119 CB ILE A 8 3.738 1.831 9.232 1.00 0.00 C ATOM 120 CG1 ILE A 8 4.761 1.709 8.104 1.00 0.00 C ATOM 121 CG2 ILE A 8 2.794 0.636 9.223 1.00 0.00 C ATOM 122 CD1 ILE A 8 5.922 2.666 8.246 1.00 0.00 C ATOM 0 H ILE A 8 4.549 4.367 9.698 1.00 0.00 H new ATOM 0 HA ILE A 8 2.338 3.121 8.206 1.00 0.00 H new ATOM 0 HB ILE A 8 4.270 1.841 10.184 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.142 0.688 8.077 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.264 1.890 7.151 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.371 -0.284 9.312 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.102 0.713 10.061 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.232 0.623 8.289 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.611 2.528 7.413 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.551 3.691 8.244 1.00 0.00 H new ATOM 0 HD13 ILE A 8 6.442 2.470 9.184 1.00 0.00 H new ATOM 134 N LYS A 9 0.804 3.703 10.103 1.00 0.00 N ATOM 135 CA LYS A 9 -0.152 3.868 11.193 1.00 0.00 C ATOM 136 C LYS A 9 -0.268 2.585 12.014 1.00 0.00 C ATOM 137 O LYS A 9 -0.660 2.616 13.179 1.00 0.00 O ATOM 138 CB LYS A 9 -1.529 4.253 10.646 1.00 0.00 C ATOM 139 CG LYS A 9 -1.602 5.673 10.105 1.00 0.00 C ATOM 140 CD LYS A 9 -1.382 6.697 11.208 1.00 0.00 C ATOM 141 CE LYS A 9 -1.590 8.115 10.701 1.00 0.00 C ATOM 142 NZ LYS A 9 -2.976 8.326 10.196 1.00 0.00 N ATOM 0 H LYS A 9 0.433 3.920 9.178 1.00 0.00 H new ATOM 0 HA LYS A 9 0.213 4.667 11.839 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.801 3.558 9.852 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.269 4.138 11.438 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.851 5.807 9.327 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.575 5.838 9.641 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.068 6.500 12.031 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.372 6.596 11.604 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.385 8.822 11.505 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.877 8.324 9.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.182 9.345 10.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.062 7.924 9.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.652 7.856 10.831 1.00 0.00 H new ATOM 156 N ASN A 10 0.081 1.459 11.393 1.00 0.00 N ATOM 157 CA ASN A 10 0.018 0.162 12.059 1.00 0.00 C ATOM 158 C ASN A 10 0.413 -0.958 11.098 1.00 0.00 C ATOM 159 O ASN A 10 -0.230 -1.158 10.068 1.00 0.00 O ATOM 160 CB ASN A 10 -1.391 -0.095 12.602 1.00 0.00 C ATOM 161 CG ASN A 10 -1.508 -1.434 13.306 1.00 0.00 C ATOM 162 OD1 ASN A 10 -0.814 -1.695 14.289 1.00 0.00 O ATOM 163 ND2 ASN A 10 -2.388 -2.292 12.803 1.00 0.00 N ATOM 0 H ASN A 10 0.410 1.421 10.428 1.00 0.00 H new ATOM 0 HA ASN A 10 0.722 0.176 12.891 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.660 0.701 13.296 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -2.106 -0.057 11.780 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.509 -3.209 13.233 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -2.943 -2.034 11.987 1.00 0.00 H new ATOM 170 N ALA A 11 1.469 -1.685 11.442 1.00 0.00 N ATOM 171 CA ALA A 11 1.943 -2.785 10.610 1.00 0.00 C ATOM 172 C ALA A 11 1.363 -4.113 11.084 1.00 0.00 C ATOM 173 O ALA A 11 1.891 -4.740 12.002 1.00 0.00 O ATOM 174 CB ALA A 11 3.464 -2.835 10.615 1.00 0.00 C ATOM 0 H ALA A 11 2.014 -1.533 12.291 1.00 0.00 H new ATOM 0 HA ALA A 11 1.604 -2.612 9.589 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.803 -3.661 9.990 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.860 -1.898 10.224 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.820 -2.982 11.635 1.00 0.00 H new ATOM 180 N ASP A 12 0.269 -4.531 10.457 1.00 0.00 N ATOM 181 CA ASP A 12 -0.387 -5.783 10.819 1.00 0.00 C ATOM 182 C ASP A 12 0.299 -6.974 10.160 1.00 0.00 C ATOM 183 O ASP A 12 0.355 -8.063 10.732 1.00 0.00 O ATOM 184 CB ASP A 12 -1.865 -5.739 10.424 1.00 0.00 C ATOM 185 CG ASP A 12 -2.615 -6.997 10.820 1.00 0.00 C ATOM 186 OD1 ASP A 12 -1.994 -7.895 11.426 1.00 0.00 O ATOM 187 OD2 ASP A 12 -3.827 -7.084 10.525 1.00 0.00 O ATOM 0 H ASP A 12 -0.182 -4.022 9.697 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.311 -5.904 11.900 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.337 -4.876 10.894 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.945 -5.598 9.346 1.00 0.00 H new ATOM 192 N MET A 13 0.824 -6.768 8.955 1.00 0.00 N ATOM 193 CA MET A 13 1.506 -7.838 8.236 1.00 0.00 C ATOM 194 C MET A 13 2.917 -8.046 8.787 1.00 0.00 C ATOM 195 O MET A 13 3.454 -7.180 9.478 1.00 0.00 O ATOM 196 CB MET A 13 1.558 -7.528 6.735 1.00 0.00 C ATOM 197 CG MET A 13 2.183 -8.636 5.905 1.00 0.00 C ATOM 198 SD MET A 13 1.257 -10.180 5.995 1.00 0.00 S ATOM 199 CE MET A 13 -0.309 -9.671 5.292 1.00 0.00 C ATOM 0 H MET A 13 0.791 -5.877 8.460 1.00 0.00 H new ATOM 0 HA MET A 13 0.942 -8.760 8.381 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.546 -7.344 6.376 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.123 -6.608 6.582 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.245 -8.315 4.865 1.00 0.00 H new ATOM 0 HG3 MET A 13 3.204 -8.809 6.247 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.909 -10.552 5.064 1.00 0.00 H new ATOM 0 HE2 MET A 13 -0.842 -9.044 6.007 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.131 -9.107 4.377 1.00 0.00 H new ATOM 209 N SER A 14 3.504 -9.204 8.484 1.00 0.00 N ATOM 210 CA SER A 14 4.850 -9.548 8.950 1.00 0.00 C ATOM 211 C SER A 14 5.798 -8.352 8.903 1.00 0.00 C ATOM 212 O SER A 14 6.058 -7.712 9.924 1.00 0.00 O ATOM 213 CB SER A 14 5.417 -10.700 8.117 1.00 0.00 C ATOM 214 OG SER A 14 6.737 -11.020 8.519 1.00 0.00 O ATOM 0 H SER A 14 3.065 -9.926 7.913 1.00 0.00 H new ATOM 0 HA SER A 14 4.765 -9.858 9.992 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.779 -11.577 8.223 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.411 -10.427 7.062 1.00 0.00 H new ATOM 0 HG SER A 14 7.075 -11.760 7.972 1.00 0.00 H new ATOM 220 N GLU A 15 6.310 -8.056 7.717 1.00 0.00 N ATOM 221 CA GLU A 15 7.229 -6.938 7.533 1.00 0.00 C ATOM 222 C GLU A 15 7.630 -6.806 6.069 1.00 0.00 C ATOM 223 O GLU A 15 7.911 -5.707 5.587 1.00 0.00 O ATOM 224 CB GLU A 15 8.474 -7.113 8.415 1.00 0.00 C ATOM 225 CG GLU A 15 9.352 -8.295 8.033 1.00 0.00 C ATOM 226 CD GLU A 15 10.184 -8.034 6.793 1.00 0.00 C ATOM 227 OE1 GLU A 15 10.974 -7.066 6.801 1.00 0.00 O ATOM 228 OE2 GLU A 15 10.049 -8.796 5.814 1.00 0.00 O ATOM 0 H GLU A 15 6.105 -8.576 6.864 1.00 0.00 H new ATOM 0 HA GLU A 15 6.717 -6.023 7.833 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.070 -6.202 8.366 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.157 -7.231 9.451 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.014 -8.534 8.865 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.723 -9.169 7.865 1.00 0.00 H new ATOM 235 N ASP A 16 7.648 -7.931 5.360 1.00 0.00 N ATOM 236 CA ASP A 16 8.007 -7.937 3.947 1.00 0.00 C ATOM 237 C ASP A 16 7.143 -6.952 3.166 1.00 0.00 C ATOM 238 O ASP A 16 7.608 -6.327 2.212 1.00 0.00 O ATOM 239 CB ASP A 16 7.853 -9.340 3.356 1.00 0.00 C ATOM 240 CG ASP A 16 8.685 -10.376 4.088 1.00 0.00 C ATOM 241 OD1 ASP A 16 8.442 -10.588 5.294 1.00 0.00 O ATOM 242 OD2 ASP A 16 9.579 -10.974 3.453 1.00 0.00 O ATOM 0 H ASP A 16 7.418 -8.849 5.741 1.00 0.00 H new ATOM 0 HA ASP A 16 9.050 -7.632 3.866 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.803 -9.632 3.391 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.144 -9.322 2.306 1.00 0.00 H new ATOM 247 N MET A 17 5.887 -6.816 3.578 1.00 0.00 N ATOM 248 CA MET A 17 4.968 -5.902 2.913 1.00 0.00 C ATOM 249 C MET A 17 5.285 -4.461 3.280 1.00 0.00 C ATOM 250 O MET A 17 4.996 -3.545 2.514 1.00 0.00 O ATOM 251 CB MET A 17 3.516 -6.242 3.261 1.00 0.00 C ATOM 252 CG MET A 17 3.094 -7.627 2.801 1.00 0.00 C ATOM 253 SD MET A 17 3.346 -7.884 1.036 1.00 0.00 S ATOM 254 CE MET A 17 2.781 -9.574 0.855 1.00 0.00 C ATOM 0 H MET A 17 5.484 -7.325 4.365 1.00 0.00 H new ATOM 0 HA MET A 17 5.095 -6.016 1.836 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.382 -6.169 4.340 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.858 -5.500 2.808 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.657 -8.377 3.357 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.041 -7.779 3.039 1.00 0.00 H new ATOM 0 HE1 MET A 17 3.630 -10.220 0.631 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.311 -9.902 1.782 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.058 -9.631 0.042 1.00 0.00 H new ATOM 264 N GLN A 18 5.908 -4.258 4.432 1.00 0.00 N ATOM 265 CA GLN A 18 6.283 -2.915 4.835 1.00 0.00 C ATOM 266 C GLN A 18 7.366 -2.411 3.894 1.00 0.00 C ATOM 267 O GLN A 18 7.309 -1.284 3.402 1.00 0.00 O ATOM 268 CB GLN A 18 6.781 -2.878 6.286 1.00 0.00 C ATOM 269 CG GLN A 18 5.670 -2.947 7.327 1.00 0.00 C ATOM 270 CD GLN A 18 5.045 -4.323 7.455 1.00 0.00 C ATOM 271 OE1 GLN A 18 4.608 -4.918 6.472 1.00 0.00 O ATOM 272 NE2 GLN A 18 4.989 -4.833 8.680 1.00 0.00 N ATOM 0 H GLN A 18 6.160 -4.993 5.092 1.00 0.00 H new ATOM 0 HA GLN A 18 5.405 -2.272 4.780 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.466 -3.711 6.445 1.00 0.00 H new ATOM 0 HB3 GLN A 18 7.352 -1.962 6.440 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.071 -2.647 8.295 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.894 -2.227 7.067 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.363 -4.306 9.469 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.572 -5.751 8.832 1.00 0.00 H new ATOM 281 N GLN A 19 8.344 -3.272 3.628 1.00 0.00 N ATOM 282 CA GLN A 19 9.437 -2.930 2.732 1.00 0.00 C ATOM 283 C GLN A 19 9.028 -3.099 1.271 1.00 0.00 C ATOM 284 O GLN A 19 9.510 -2.374 0.399 1.00 0.00 O ATOM 285 CB GLN A 19 10.661 -3.798 3.034 1.00 0.00 C ATOM 286 CG GLN A 19 11.203 -3.623 4.445 1.00 0.00 C ATOM 287 CD GLN A 19 11.742 -2.226 4.731 1.00 0.00 C ATOM 288 OE1 GLN A 19 11.855 -1.385 3.703 1.00 0.00 O flip ATOM 289 NE2 GLN A 19 12.074 -1.908 5.873 1.00 0.00 N flip ATOM 0 H GLN A 19 8.399 -4.211 4.022 1.00 0.00 H new ATOM 0 HA GLN A 19 9.689 -1.882 2.897 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.399 -4.845 2.882 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.449 -3.560 2.320 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.411 -3.849 5.159 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.998 -4.350 4.611 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.975 -2.576 6.638 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.449 -0.977 6.055 1.00 0.00 H new ATOM 298 N ASP A 20 8.139 -4.053 1.003 1.00 0.00 N ATOM 299 CA ASP A 20 7.690 -4.297 -0.360 1.00 0.00 C ATOM 300 C ASP A 20 6.681 -3.239 -0.792 1.00 0.00 C ATOM 301 O ASP A 20 6.815 -2.639 -1.854 1.00 0.00 O ATOM 302 CB ASP A 20 7.071 -5.689 -0.482 1.00 0.00 C ATOM 303 CG ASP A 20 6.751 -6.051 -1.920 1.00 0.00 C ATOM 304 OD1 ASP A 20 6.001 -5.293 -2.570 1.00 0.00 O ATOM 305 OD2 ASP A 20 7.251 -7.093 -2.396 1.00 0.00 O ATOM 0 H ASP A 20 7.721 -4.663 1.706 1.00 0.00 H new ATOM 0 HA ASP A 20 8.558 -4.241 -1.016 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.757 -6.427 -0.068 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.159 -5.732 0.113 1.00 0.00 H new ATOM 310 N ALA A 21 5.674 -3.019 0.043 1.00 0.00 N ATOM 311 CA ALA A 21 4.642 -2.034 -0.251 1.00 0.00 C ATOM 312 C ALA A 21 5.214 -0.620 -0.269 1.00 0.00 C ATOM 313 O ALA A 21 4.958 0.145 -1.199 1.00 0.00 O ATOM 314 CB ALA A 21 3.509 -2.136 0.759 1.00 0.00 C ATOM 0 H ALA A 21 5.550 -3.509 0.929 1.00 0.00 H new ATOM 0 HA ALA A 21 4.248 -2.248 -1.245 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.746 -1.394 0.526 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.071 -3.133 0.715 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.897 -1.955 1.761 1.00 0.00 H new ATOM 320 N VAL A 22 5.989 -0.272 0.756 1.00 0.00 N ATOM 321 CA VAL A 22 6.584 1.057 0.829 1.00 0.00 C ATOM 322 C VAL A 22 7.535 1.294 -0.340 1.00 0.00 C ATOM 323 O VAL A 22 7.489 2.343 -0.982 1.00 0.00 O ATOM 324 CB VAL A 22 7.329 1.281 2.161 1.00 0.00 C ATOM 325 CG1 VAL A 22 8.040 2.628 2.167 1.00 0.00 C ATOM 326 CG2 VAL A 22 6.359 1.190 3.331 1.00 0.00 C ATOM 0 H VAL A 22 6.217 -0.885 1.539 1.00 0.00 H new ATOM 0 HA VAL A 22 5.765 1.774 0.774 1.00 0.00 H new ATOM 0 HB VAL A 22 8.081 0.499 2.266 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.558 2.762 3.117 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.763 2.661 1.352 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.309 3.426 2.037 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.899 1.350 4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.587 1.951 3.223 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.896 0.203 3.344 1.00 0.00 H new ATOM 336 N ASP A 23 8.393 0.317 -0.621 1.00 0.00 N ATOM 337 CA ASP A 23 9.342 0.440 -1.722 1.00 0.00 C ATOM 338 C ASP A 23 8.631 0.333 -3.057 1.00 0.00 C ATOM 339 O ASP A 23 9.001 1.010 -4.013 1.00 0.00 O ATOM 340 CB ASP A 23 10.439 -0.621 -1.612 1.00 0.00 C ATOM 341 CG ASP A 23 11.480 -0.501 -2.709 1.00 0.00 C ATOM 342 OD1 ASP A 23 11.356 0.413 -3.550 1.00 0.00 O ATOM 343 OD2 ASP A 23 12.420 -1.323 -2.726 1.00 0.00 O ATOM 0 H ASP A 23 8.450 -0.562 -0.106 1.00 0.00 H new ATOM 0 HA ASP A 23 9.809 1.423 -1.660 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.928 -0.534 -0.642 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.986 -1.612 -1.653 1.00 0.00 H new ATOM 348 N CYS A 24 7.597 -0.491 -3.120 1.00 0.00 N ATOM 349 CA CYS A 24 6.838 -0.631 -4.351 1.00 0.00 C ATOM 350 C CYS A 24 6.078 0.658 -4.607 1.00 0.00 C ATOM 351 O CYS A 24 5.913 1.083 -5.750 1.00 0.00 O ATOM 352 CB CYS A 24 5.880 -1.820 -4.276 1.00 0.00 C ATOM 353 SG CYS A 24 5.018 -2.166 -5.825 1.00 0.00 S ATOM 0 H CYS A 24 7.268 -1.066 -2.344 1.00 0.00 H new ATOM 0 HA CYS A 24 7.524 -0.821 -5.176 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.440 -2.706 -3.978 1.00 0.00 H new ATOM 0 HB3 CYS A 24 5.143 -1.631 -3.496 1.00 0.00 H new ATOM 0 HG CYS A 24 5.607 -3.148 -6.439 1.00 0.00 H new ATOM 359 N ALA A 25 5.654 1.300 -3.522 1.00 0.00 N ATOM 360 CA ALA A 25 4.951 2.565 -3.612 1.00 0.00 C ATOM 361 C ALA A 25 5.949 3.684 -3.888 1.00 0.00 C ATOM 362 O ALA A 25 5.609 4.702 -4.491 1.00 0.00 O ATOM 363 CB ALA A 25 4.175 2.840 -2.332 1.00 0.00 C ATOM 0 H ALA A 25 5.788 0.959 -2.570 1.00 0.00 H new ATOM 0 HA ALA A 25 4.235 2.517 -4.433 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.655 3.794 -2.420 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.449 2.044 -2.169 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.865 2.880 -1.489 1.00 0.00 H new ATOM 369 N THR A 26 7.196 3.476 -3.454 1.00 0.00 N ATOM 370 CA THR A 26 8.249 4.455 -3.669 1.00 0.00 C ATOM 371 C THR A 26 8.702 4.422 -5.122 1.00 0.00 C ATOM 372 O THR A 26 8.704 5.447 -5.803 1.00 0.00 O ATOM 373 CB THR A 26 9.435 4.179 -2.741 1.00 0.00 C ATOM 374 OG1 THR A 26 9.034 4.238 -1.384 1.00 0.00 O ATOM 375 CG2 THR A 26 10.578 5.155 -2.923 1.00 0.00 C ATOM 0 H THR A 26 7.494 2.638 -2.954 1.00 0.00 H new ATOM 0 HA THR A 26 7.855 5.446 -3.442 1.00 0.00 H new ATOM 0 HB THR A 26 9.784 3.181 -3.008 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.815 3.336 -1.068 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.385 4.902 -2.235 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.944 5.100 -3.948 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.229 6.167 -2.717 1.00 0.00 H new ATOM 383 N GLN A 27 9.067 3.236 -5.599 1.00 0.00 N ATOM 384 CA GLN A 27 9.504 3.085 -6.982 1.00 0.00 C ATOM 385 C GLN A 27 8.335 3.310 -7.936 1.00 0.00 C ATOM 386 O GLN A 27 8.531 3.655 -9.101 1.00 0.00 O ATOM 387 CB GLN A 27 10.112 1.698 -7.217 1.00 0.00 C ATOM 388 CG GLN A 27 9.117 0.558 -7.085 1.00 0.00 C ATOM 389 CD GLN A 27 9.742 -0.794 -7.365 1.00 0.00 C ATOM 390 OE1 GLN A 27 10.216 -1.055 -8.471 1.00 0.00 O ATOM 391 NE2 GLN A 27 9.755 -1.662 -6.359 1.00 0.00 N ATOM 0 H GLN A 27 9.069 2.374 -5.054 1.00 0.00 H new ATOM 0 HA GLN A 27 10.271 3.835 -7.177 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.552 1.669 -8.214 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.923 1.543 -6.506 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.699 0.560 -6.078 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.289 0.721 -7.774 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.351 -1.405 -5.458 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.169 -2.585 -6.487 1.00 0.00 H new ATOM 400 N ALA A 28 7.119 3.118 -7.432 1.00 0.00 N ATOM 401 CA ALA A 28 5.922 3.307 -8.242 1.00 0.00 C ATOM 402 C ALA A 28 5.691 4.785 -8.535 1.00 0.00 C ATOM 403 O ALA A 28 5.440 5.168 -9.676 1.00 0.00 O ATOM 404 CB ALA A 28 4.709 2.712 -7.545 1.00 0.00 C ATOM 0 H ALA A 28 6.938 2.833 -6.470 1.00 0.00 H new ATOM 0 HA ALA A 28 6.070 2.790 -9.190 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.824 2.862 -8.163 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.866 1.645 -7.389 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.566 3.202 -6.582 1.00 0.00 H new ATOM 410 N MET A 29 5.773 5.612 -7.497 1.00 0.00 N ATOM 411 CA MET A 29 5.567 7.049 -7.652 1.00 0.00 C ATOM 412 C MET A 29 6.745 7.700 -8.372 1.00 0.00 C ATOM 413 O MET A 29 6.588 8.726 -9.033 1.00 0.00 O ATOM 414 CB MET A 29 5.361 7.707 -6.286 1.00 0.00 C ATOM 415 CG MET A 29 5.134 9.208 -6.362 1.00 0.00 C ATOM 416 SD MET A 29 4.896 9.958 -4.740 1.00 0.00 S ATOM 417 CE MET A 29 3.444 9.077 -4.169 1.00 0.00 C ATOM 0 H MET A 29 5.980 5.314 -6.544 1.00 0.00 H new ATOM 0 HA MET A 29 4.673 7.196 -8.258 1.00 0.00 H new ATOM 0 HB2 MET A 29 4.506 7.243 -5.794 1.00 0.00 H new ATOM 0 HB3 MET A 29 6.233 7.511 -5.662 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.987 9.676 -6.853 1.00 0.00 H new ATOM 0 HG3 MET A 29 4.260 9.408 -6.982 1.00 0.00 H new ATOM 0 HE1 MET A 29 2.813 9.752 -3.590 1.00 0.00 H new ATOM 0 HE2 MET A 29 2.884 8.704 -5.027 1.00 0.00 H new ATOM 0 HE3 MET A 29 3.750 8.239 -3.543 1.00 0.00 H new ATOM 427 N GLU A 30 7.923 7.096 -8.247 1.00 0.00 N ATOM 428 CA GLU A 30 9.116 7.622 -8.895 1.00 0.00 C ATOM 429 C GLU A 30 9.141 7.240 -10.370 1.00 0.00 C ATOM 430 O GLU A 30 9.402 8.077 -11.234 1.00 0.00 O ATOM 431 CB GLU A 30 10.378 7.107 -8.198 1.00 0.00 C ATOM 432 CG GLU A 30 10.544 7.628 -6.779 1.00 0.00 C ATOM 433 CD GLU A 30 11.774 7.067 -6.090 1.00 0.00 C ATOM 434 OE1 GLU A 30 12.498 6.269 -6.721 1.00 0.00 O ATOM 435 OE2 GLU A 30 12.013 7.426 -4.918 1.00 0.00 O ATOM 0 H GLU A 30 8.075 6.245 -7.705 1.00 0.00 H new ATOM 0 HA GLU A 30 9.092 8.709 -8.818 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.352 6.018 -8.176 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.250 7.393 -8.786 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.609 8.716 -6.801 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.658 7.373 -6.197 1.00 0.00 H new ATOM 442 N LYS A 31 8.858 5.973 -10.650 1.00 0.00 N ATOM 443 CA LYS A 31 8.842 5.486 -12.024 1.00 0.00 C ATOM 444 C LYS A 31 7.508 5.807 -12.699 1.00 0.00 C ATOM 445 O LYS A 31 7.432 5.905 -13.923 1.00 0.00 O ATOM 446 CB LYS A 31 9.104 3.980 -12.062 1.00 0.00 C ATOM 447 CG LYS A 31 9.203 3.416 -13.471 1.00 0.00 C ATOM 448 CD LYS A 31 10.367 4.025 -14.235 1.00 0.00 C ATOM 449 CE LYS A 31 11.695 3.741 -13.555 1.00 0.00 C ATOM 450 NZ LYS A 31 12.842 4.317 -14.310 1.00 0.00 N ATOM 0 H LYS A 31 8.637 5.267 -9.947 1.00 0.00 H new ATOM 0 HA LYS A 31 9.636 5.993 -12.572 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.030 3.767 -11.528 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.304 3.467 -11.529 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.325 2.334 -13.423 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.274 3.609 -14.007 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.385 3.626 -15.249 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.224 5.102 -14.318 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.681 4.153 -12.546 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.829 2.664 -13.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.729 4.101 -13.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.871 3.905 -15.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.728 5.348 -14.381 1.00 0.00 H new ATOM 464 N TYR A 32 6.461 5.980 -11.892 1.00 0.00 N ATOM 465 CA TYR A 32 5.137 6.303 -12.418 1.00 0.00 C ATOM 466 C TYR A 32 4.497 7.427 -11.609 1.00 0.00 C ATOM 467 O TYR A 32 4.842 7.644 -10.447 1.00 0.00 O ATOM 468 CB TYR A 32 4.225 5.071 -12.398 1.00 0.00 C ATOM 469 CG TYR A 32 4.683 3.944 -13.297 1.00 0.00 C ATOM 470 CD1 TYR A 32 5.875 3.276 -13.053 1.00 0.00 C ATOM 471 CD2 TYR A 32 3.918 3.548 -14.388 1.00 0.00 C ATOM 472 CE1 TYR A 32 6.293 2.243 -13.872 1.00 0.00 C ATOM 473 CE2 TYR A 32 4.329 2.517 -15.211 1.00 0.00 C ATOM 474 CZ TYR A 32 5.518 1.868 -14.948 1.00 0.00 C ATOM 475 OH TYR A 32 5.930 0.839 -15.764 1.00 0.00 O ATOM 0 H TYR A 32 6.505 5.902 -10.876 1.00 0.00 H new ATOM 0 HA TYR A 32 5.260 6.632 -13.450 1.00 0.00 H new ATOM 0 HB2 TYR A 32 4.157 4.700 -11.375 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.220 5.372 -12.695 1.00 0.00 H new ATOM 0 HD1 TYR A 32 6.485 3.567 -12.211 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.987 4.055 -14.596 1.00 0.00 H new ATOM 0 HE1 TYR A 32 7.223 1.732 -13.669 1.00 0.00 H new ATOM 0 HE2 TYR A 32 3.723 2.221 -16.055 1.00 0.00 H new ATOM 0 HH TYR A 32 5.269 0.700 -16.475 1.00 0.00 H new ATOM 485 N ASN A 33 3.562 8.140 -12.230 1.00 0.00 N ATOM 486 CA ASN A 33 2.874 9.243 -11.564 1.00 0.00 C ATOM 487 C ASN A 33 1.410 9.316 -11.991 1.00 0.00 C ATOM 488 O ASN A 33 0.784 10.373 -11.912 1.00 0.00 O ATOM 489 CB ASN A 33 3.570 10.570 -11.875 1.00 0.00 C ATOM 490 CG ASN A 33 5.014 10.591 -11.409 1.00 0.00 C ATOM 491 OD1 ASN A 33 5.835 9.791 -11.856 1.00 0.00 O ATOM 492 ND2 ASN A 33 5.330 11.512 -10.505 1.00 0.00 N ATOM 0 H ASN A 33 3.263 7.975 -13.191 1.00 0.00 H new ATOM 0 HA ASN A 33 2.912 9.060 -10.490 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.535 10.752 -12.949 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.025 11.384 -11.396 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.286 11.576 -10.154 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.617 12.155 -10.162 1.00 0.00 H new ATOM 499 N ILE A 34 0.869 8.191 -12.448 1.00 0.00 N ATOM 500 CA ILE A 34 -0.517 8.132 -12.890 1.00 0.00 C ATOM 501 C ILE A 34 -1.482 8.061 -11.707 1.00 0.00 C ATOM 502 O ILE A 34 -2.679 8.297 -11.863 1.00 0.00 O ATOM 503 CB ILE A 34 -0.750 6.912 -13.797 1.00 0.00 C ATOM 504 CG1 ILE A 34 0.286 6.890 -14.922 1.00 0.00 C ATOM 505 CG2 ILE A 34 -2.161 6.932 -14.368 1.00 0.00 C ATOM 506 CD1 ILE A 34 0.175 8.063 -15.869 1.00 0.00 C ATOM 0 H ILE A 34 1.372 7.307 -12.521 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.711 9.048 -13.449 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.638 6.006 -13.201 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.285 6.880 -14.485 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.176 5.965 -15.488 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.307 6.061 -15.007 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.884 6.909 -13.553 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.304 7.840 -14.954 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.941 7.981 -16.641 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.811 8.063 -16.334 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.315 8.992 -15.316 1.00 0.00 H new ATOM 518 N GLU A 35 -0.956 7.723 -10.530 1.00 0.00 N ATOM 519 CA GLU A 35 -1.766 7.608 -9.314 1.00 0.00 C ATOM 520 C GLU A 35 -2.567 6.309 -9.312 1.00 0.00 C ATOM 521 O GLU A 35 -2.486 5.521 -8.370 1.00 0.00 O ATOM 522 CB GLU A 35 -2.710 8.807 -9.165 1.00 0.00 C ATOM 523 CG GLU A 35 -1.997 10.150 -9.182 1.00 0.00 C ATOM 524 CD GLU A 35 -2.949 11.322 -9.032 1.00 0.00 C ATOM 525 OE1 GLU A 35 -4.170 11.084 -8.914 1.00 0.00 O ATOM 526 OE2 GLU A 35 -2.474 12.477 -9.032 1.00 0.00 O ATOM 0 H GLU A 35 0.034 7.522 -10.391 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.083 7.597 -8.465 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.443 8.784 -9.972 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.262 8.710 -8.230 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.264 10.177 -8.376 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.446 10.252 -10.117 1.00 0.00 H new ATOM 533 N LYS A 36 -3.334 6.087 -10.375 1.00 0.00 N ATOM 534 CA LYS A 36 -4.140 4.879 -10.497 1.00 0.00 C ATOM 535 C LYS A 36 -3.263 3.693 -10.875 1.00 0.00 C ATOM 536 O LYS A 36 -3.310 2.644 -10.233 1.00 0.00 O ATOM 537 CB LYS A 36 -5.240 5.073 -11.543 1.00 0.00 C ATOM 538 CG LYS A 36 -6.196 6.210 -11.217 1.00 0.00 C ATOM 539 CD LYS A 36 -7.268 6.361 -12.284 1.00 0.00 C ATOM 540 CE LYS A 36 -8.222 7.496 -11.957 1.00 0.00 C ATOM 541 NZ LYS A 36 -8.920 7.278 -10.660 1.00 0.00 N ATOM 0 H LYS A 36 -3.414 6.729 -11.164 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.606 4.678 -9.533 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.779 5.264 -12.512 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.808 4.147 -11.637 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.666 6.025 -10.251 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.637 7.142 -11.127 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.798 6.546 -13.250 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.827 5.429 -12.375 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.670 8.435 -11.919 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.959 7.592 -12.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.712 7.947 -10.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.283 6.304 -10.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.253 7.431 -9.877 1.00 0.00 H new ATOM 555 N ASP A 37 -2.450 3.871 -11.913 1.00 0.00 N ATOM 556 CA ASP A 37 -1.549 2.817 -12.363 1.00 0.00 C ATOM 557 C ASP A 37 -0.653 2.372 -11.212 1.00 0.00 C ATOM 558 O ASP A 37 -0.240 1.214 -11.141 1.00 0.00 O ATOM 559 CB ASP A 37 -0.696 3.306 -13.535 1.00 0.00 C ATOM 560 CG ASP A 37 0.214 2.225 -14.086 1.00 0.00 C ATOM 561 OD1 ASP A 37 0.168 1.087 -13.570 1.00 0.00 O ATOM 562 OD2 ASP A 37 0.971 2.514 -15.036 1.00 0.00 O ATOM 0 H ASP A 37 -2.397 4.733 -12.456 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.145 1.968 -12.699 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.349 3.665 -14.330 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.092 4.154 -13.211 1.00 0.00 H new ATOM 567 N ILE A 38 -0.371 3.302 -10.304 1.00 0.00 N ATOM 568 CA ILE A 38 0.459 3.014 -9.143 1.00 0.00 C ATOM 569 C ILE A 38 -0.147 1.881 -8.327 1.00 0.00 C ATOM 570 O ILE A 38 0.514 0.886 -8.034 1.00 0.00 O ATOM 571 CB ILE A 38 0.615 4.256 -8.240 1.00 0.00 C ATOM 572 CG1 ILE A 38 1.153 5.439 -9.047 1.00 0.00 C ATOM 573 CG2 ILE A 38 1.535 3.951 -7.065 1.00 0.00 C ATOM 574 CD1 ILE A 38 2.517 5.189 -9.650 1.00 0.00 C ATOM 0 H ILE A 38 -0.707 4.264 -10.352 1.00 0.00 H new ATOM 0 HA ILE A 38 1.443 2.721 -9.510 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.367 4.522 -7.848 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.449 5.674 -9.846 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.205 6.315 -8.401 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.633 4.838 -6.440 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.114 3.136 -6.476 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.517 3.660 -7.438 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.835 6.070 -10.208 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.234 4.984 -8.855 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.466 4.333 -10.322 1.00 0.00 H new ATOM 586 N ALA A 39 -1.419 2.037 -7.971 1.00 0.00 N ATOM 587 CA ALA A 39 -2.121 1.023 -7.195 1.00 0.00 C ATOM 588 C ALA A 39 -2.203 -0.291 -7.963 1.00 0.00 C ATOM 589 O ALA A 39 -2.333 -1.362 -7.368 1.00 0.00 O ATOM 590 CB ALA A 39 -3.515 1.509 -6.824 1.00 0.00 C ATOM 0 H ALA A 39 -1.982 2.854 -8.207 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.557 0.846 -6.279 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.026 0.740 -6.245 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.437 2.419 -6.230 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.082 1.716 -7.732 1.00 0.00 H new ATOM 596 N ALA A 40 -2.119 -0.204 -9.286 1.00 0.00 N ATOM 597 CA ALA A 40 -2.178 -1.386 -10.133 1.00 0.00 C ATOM 598 C ALA A 40 -0.825 -2.079 -10.190 1.00 0.00 C ATOM 599 O ALA A 40 -0.748 -3.303 -10.194 1.00 0.00 O ATOM 600 CB ALA A 40 -2.647 -1.014 -11.532 1.00 0.00 C ATOM 0 H ALA A 40 -2.010 0.674 -9.794 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.897 -2.081 -9.700 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.686 -1.909 -12.153 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.640 -0.568 -11.476 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.952 -0.298 -11.970 1.00 0.00 H new ATOM 606 N TYR A 41 0.238 -1.288 -10.224 1.00 0.00 N ATOM 607 CA TYR A 41 1.587 -1.838 -10.269 1.00 0.00 C ATOM 608 C TYR A 41 1.949 -2.475 -8.934 1.00 0.00 C ATOM 609 O TYR A 41 2.786 -3.377 -8.870 1.00 0.00 O ATOM 610 CB TYR A 41 2.599 -0.746 -10.626 1.00 0.00 C ATOM 611 CG TYR A 41 4.028 -1.236 -10.684 1.00 0.00 C ATOM 612 CD1 TYR A 41 4.405 -2.236 -11.573 1.00 0.00 C ATOM 613 CD2 TYR A 41 5.002 -0.698 -9.852 1.00 0.00 C ATOM 614 CE1 TYR A 41 5.710 -2.686 -11.629 1.00 0.00 C ATOM 615 CE2 TYR A 41 6.310 -1.141 -9.903 1.00 0.00 C ATOM 616 CZ TYR A 41 6.658 -2.136 -10.794 1.00 0.00 C ATOM 617 OH TYR A 41 7.959 -2.580 -10.847 1.00 0.00 O ATOM 0 H TYR A 41 0.194 -0.269 -10.221 1.00 0.00 H new ATOM 0 HA TYR A 41 1.618 -2.607 -11.041 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.332 -0.317 -11.592 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.529 0.056 -9.891 1.00 0.00 H new ATOM 0 HD1 TYR A 41 3.665 -2.668 -12.231 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.732 0.080 -9.153 1.00 0.00 H new ATOM 0 HE1 TYR A 41 5.986 -3.465 -12.324 1.00 0.00 H new ATOM 0 HE2 TYR A 41 7.055 -0.711 -9.250 1.00 0.00 H new ATOM 0 HH TYR A 41 8.499 -2.088 -10.194 1.00 0.00 H new ATOM 627 N ILE A 42 1.292 -2.021 -7.871 1.00 0.00 N ATOM 628 CA ILE A 42 1.524 -2.565 -6.543 1.00 0.00 C ATOM 629 C ILE A 42 0.662 -3.802 -6.362 1.00 0.00 C ATOM 630 O ILE A 42 1.130 -4.848 -5.911 1.00 0.00 O ATOM 631 CB ILE A 42 1.194 -1.536 -5.444 1.00 0.00 C ATOM 632 CG1 ILE A 42 2.045 -0.275 -5.621 1.00 0.00 C ATOM 633 CG2 ILE A 42 1.417 -2.138 -4.065 1.00 0.00 C ATOM 634 CD1 ILE A 42 1.614 0.872 -4.732 1.00 0.00 C ATOM 0 H ILE A 42 0.595 -1.277 -7.906 1.00 0.00 H new ATOM 0 HA ILE A 42 2.580 -2.820 -6.452 1.00 0.00 H new ATOM 0 HB ILE A 42 0.143 -1.261 -5.533 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.087 -0.516 -5.410 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.996 0.044 -6.662 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.179 -1.397 -3.302 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.773 -3.008 -3.939 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.459 -2.441 -3.964 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.260 1.732 -4.909 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.582 1.140 -4.958 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.690 0.571 -3.687 1.00 0.00 H new ATOM 646 N LYS A 43 -0.599 -3.671 -6.748 1.00 0.00 N ATOM 647 CA LYS A 43 -1.545 -4.769 -6.667 1.00 0.00 C ATOM 648 C LYS A 43 -1.108 -5.892 -7.597 1.00 0.00 C ATOM 649 O LYS A 43 -1.242 -7.070 -7.270 1.00 0.00 O ATOM 650 CB LYS A 43 -2.950 -4.269 -7.034 1.00 0.00 C ATOM 651 CG LYS A 43 -4.044 -5.326 -6.970 1.00 0.00 C ATOM 652 CD LYS A 43 -4.047 -6.224 -8.199 1.00 0.00 C ATOM 653 CE LYS A 43 -5.314 -7.062 -8.270 1.00 0.00 C ATOM 654 NZ LYS A 43 -5.493 -7.907 -7.056 1.00 0.00 N ATOM 0 H LYS A 43 -0.991 -2.807 -7.123 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.572 -5.156 -5.648 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.215 -3.451 -6.364 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.921 -3.857 -8.043 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.906 -5.936 -6.077 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.014 -4.838 -6.876 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.962 -5.613 -9.098 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.176 -6.879 -8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.177 -6.406 -8.385 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.278 -7.700 -9.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.197 -8.648 -7.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.586 -8.349 -6.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.821 -7.315 -6.266 1.00 0.00 H new ATOM 668 N LYS A 44 -0.578 -5.519 -8.762 1.00 0.00 N ATOM 669 CA LYS A 44 -0.124 -6.500 -9.734 1.00 0.00 C ATOM 670 C LYS A 44 1.139 -7.211 -9.260 1.00 0.00 C ATOM 671 O LYS A 44 1.175 -8.438 -9.173 1.00 0.00 O ATOM 672 CB LYS A 44 0.140 -5.829 -11.083 1.00 0.00 C ATOM 673 CG LYS A 44 0.127 -6.801 -12.243 1.00 0.00 C ATOM 674 CD LYS A 44 -1.270 -7.351 -12.451 1.00 0.00 C ATOM 675 CE LYS A 44 -2.184 -6.315 -13.089 1.00 0.00 C ATOM 676 NZ LYS A 44 -3.560 -6.844 -13.301 1.00 0.00 N ATOM 0 H LYS A 44 -0.455 -4.548 -9.050 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.914 -7.243 -9.846 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.613 -5.060 -11.253 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.107 -5.326 -11.049 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.467 -6.301 -13.150 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.822 -7.618 -12.050 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.224 -8.237 -13.084 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.686 -7.665 -11.494 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.229 -5.430 -12.454 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.765 -6.000 -14.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.151 -6.108 -13.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.520 -7.673 -13.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.970 -7.121 -12.386 1.00 0.00 H new ATOM 690 N GLU A 45 2.180 -6.436 -8.964 1.00 0.00 N ATOM 691 CA GLU A 45 3.448 -7.001 -8.509 1.00 0.00 C ATOM 692 C GLU A 45 3.240 -8.003 -7.377 1.00 0.00 C ATOM 693 O GLU A 45 3.889 -9.048 -7.337 1.00 0.00 O ATOM 694 CB GLU A 45 4.402 -5.892 -8.062 1.00 0.00 C ATOM 695 CG GLU A 45 5.754 -6.406 -7.592 1.00 0.00 C ATOM 696 CD GLU A 45 6.732 -5.291 -7.280 1.00 0.00 C ATOM 697 OE1 GLU A 45 6.375 -4.113 -7.480 1.00 0.00 O ATOM 698 OE2 GLU A 45 7.860 -5.598 -6.839 1.00 0.00 O ATOM 0 H GLU A 45 2.171 -5.418 -9.031 1.00 0.00 H new ATOM 0 HA GLU A 45 3.892 -7.532 -9.351 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.554 -5.199 -8.890 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.936 -5.327 -7.254 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.614 -7.020 -6.702 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.179 -7.051 -8.361 1.00 0.00 H new ATOM 705 N PHE A 46 2.331 -7.685 -6.462 1.00 0.00 N ATOM 706 CA PHE A 46 2.047 -8.571 -5.339 1.00 0.00 C ATOM 707 C PHE A 46 1.365 -9.854 -5.806 1.00 0.00 C ATOM 708 O PHE A 46 1.804 -10.951 -5.474 1.00 0.00 O ATOM 709 CB PHE A 46 1.185 -7.864 -4.291 1.00 0.00 C ATOM 710 CG PHE A 46 1.975 -6.972 -3.377 1.00 0.00 C ATOM 711 CD1 PHE A 46 3.037 -7.481 -2.649 1.00 0.00 C ATOM 712 CD2 PHE A 46 1.655 -5.630 -3.238 1.00 0.00 C ATOM 713 CE1 PHE A 46 3.768 -6.672 -1.803 1.00 0.00 C ATOM 714 CE2 PHE A 46 2.383 -4.814 -2.392 1.00 0.00 C ATOM 715 CZ PHE A 46 3.442 -5.337 -1.672 1.00 0.00 C ATOM 0 H PHE A 46 1.781 -6.826 -6.475 1.00 0.00 H new ATOM 0 HA PHE A 46 3.000 -8.838 -4.882 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.423 -7.271 -4.797 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.663 -8.612 -3.695 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.297 -8.525 -2.744 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.828 -5.218 -3.797 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.595 -7.083 -1.243 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.125 -3.770 -2.293 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.012 -4.703 -1.009 1.00 0.00 H new ATOM 725 N ASP A 47 0.296 -9.715 -6.583 1.00 0.00 N ATOM 726 CA ASP A 47 -0.425 -10.879 -7.087 1.00 0.00 C ATOM 727 C ASP A 47 0.409 -11.655 -8.107 1.00 0.00 C ATOM 728 O ASP A 47 0.041 -12.759 -8.507 1.00 0.00 O ATOM 729 CB ASP A 47 -1.754 -10.451 -7.713 1.00 0.00 C ATOM 730 CG ASP A 47 -2.700 -9.849 -6.694 1.00 0.00 C ATOM 731 OD1 ASP A 47 -3.075 -10.560 -5.738 1.00 0.00 O ATOM 732 OD2 ASP A 47 -3.065 -8.667 -6.850 1.00 0.00 O ATOM 0 H ASP A 47 -0.088 -8.816 -6.876 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.623 -11.538 -6.242 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.564 -9.725 -8.503 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.228 -11.314 -8.181 1.00 0.00 H new ATOM 737 N LYS A 48 1.530 -11.073 -8.526 1.00 0.00 N ATOM 738 CA LYS A 48 2.406 -11.713 -9.499 1.00 0.00 C ATOM 739 C LYS A 48 2.918 -13.059 -8.991 1.00 0.00 C ATOM 740 O LYS A 48 3.214 -13.952 -9.785 1.00 0.00 O ATOM 741 CB LYS A 48 3.587 -10.797 -9.829 1.00 0.00 C ATOM 742 CG LYS A 48 4.539 -11.380 -10.862 1.00 0.00 C ATOM 743 CD LYS A 48 5.676 -10.420 -11.175 1.00 0.00 C ATOM 744 CE LYS A 48 6.501 -10.108 -9.937 1.00 0.00 C ATOM 745 NZ LYS A 48 7.106 -11.334 -9.349 1.00 0.00 N ATOM 0 H LYS A 48 1.852 -10.159 -8.206 1.00 0.00 H new ATOM 0 HA LYS A 48 1.824 -11.893 -10.403 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.206 -9.844 -10.196 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.141 -10.588 -8.914 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.947 -12.321 -10.493 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.991 -11.607 -11.776 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.318 -10.853 -11.941 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.270 -9.495 -11.585 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.290 -9.402 -10.195 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.870 -9.622 -9.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.957 -11.077 -8.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.419 -11.790 -8.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.365 -11.993 -10.111 1.00 0.00 H new ATOM 759 N LYS A 49 3.029 -13.207 -7.671 1.00 0.00 N ATOM 760 CA LYS A 49 3.516 -14.457 -7.094 1.00 0.00 C ATOM 761 C LYS A 49 3.204 -14.563 -5.600 1.00 0.00 C ATOM 762 O LYS A 49 3.961 -15.176 -4.847 1.00 0.00 O ATOM 763 CB LYS A 49 5.025 -14.586 -7.318 1.00 0.00 C ATOM 764 CG LYS A 49 5.833 -13.463 -6.689 1.00 0.00 C ATOM 765 CD LYS A 49 7.320 -13.635 -6.954 1.00 0.00 C ATOM 766 CE LYS A 49 8.135 -12.509 -6.332 1.00 0.00 C ATOM 767 NZ LYS A 49 8.015 -12.488 -4.846 1.00 0.00 N ATOM 0 H LYS A 49 2.791 -12.486 -6.990 1.00 0.00 H new ATOM 0 HA LYS A 49 2.996 -15.271 -7.599 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.364 -15.538 -6.910 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.224 -14.609 -8.389 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.499 -12.505 -7.087 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.653 -13.441 -5.614 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.654 -14.591 -6.551 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.498 -13.662 -8.029 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.183 -12.624 -6.610 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.801 -11.553 -6.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.486 -11.640 -4.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.010 -12.472 -4.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.465 -13.337 -4.449 1.00 0.00 H new ATOM 781 N TYR A 50 2.085 -13.981 -5.178 1.00 0.00 N ATOM 782 CA TYR A 50 1.684 -14.037 -3.774 1.00 0.00 C ATOM 783 C TYR A 50 0.266 -14.586 -3.626 1.00 0.00 C ATOM 784 O TYR A 50 -0.320 -14.526 -2.545 1.00 0.00 O ATOM 785 CB TYR A 50 1.769 -12.651 -3.127 1.00 0.00 C ATOM 786 CG TYR A 50 3.178 -12.110 -3.014 1.00 0.00 C ATOM 787 CD1 TYR A 50 3.974 -11.932 -4.140 1.00 0.00 C ATOM 788 CD2 TYR A 50 3.710 -11.772 -1.776 1.00 0.00 C ATOM 789 CE1 TYR A 50 5.260 -11.435 -4.034 1.00 0.00 C ATOM 790 CE2 TYR A 50 4.993 -11.274 -1.662 1.00 0.00 C ATOM 791 CZ TYR A 50 5.764 -11.107 -2.793 1.00 0.00 C ATOM 792 OH TYR A 50 7.043 -10.611 -2.684 1.00 0.00 O ATOM 0 H TYR A 50 1.443 -13.468 -5.783 1.00 0.00 H new ATOM 0 HA TYR A 50 2.374 -14.710 -3.265 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.168 -11.952 -3.709 1.00 0.00 H new ATOM 0 HB3 TYR A 50 1.328 -12.698 -2.131 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.581 -12.186 -5.113 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.110 -11.901 -0.887 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.866 -11.304 -4.918 1.00 0.00 H new ATOM 0 HE2 TYR A 50 5.391 -11.017 -0.691 1.00 0.00 H new ATOM 0 HH TYR A 50 7.244 -10.429 -1.742 1.00 0.00 H new ATOM 802 N ASN A 51 -0.283 -15.119 -4.715 1.00 0.00 N ATOM 803 CA ASN A 51 -1.631 -15.675 -4.699 1.00 0.00 C ATOM 804 C ASN A 51 -2.662 -14.590 -4.383 1.00 0.00 C ATOM 805 O ASN A 51 -2.469 -13.789 -3.469 1.00 0.00 O ATOM 806 CB ASN A 51 -1.730 -16.805 -3.672 1.00 0.00 C ATOM 807 CG ASN A 51 -0.772 -17.942 -3.971 1.00 0.00 C ATOM 808 OD1 ASN A 51 -0.842 -18.565 -5.030 1.00 0.00 O ATOM 809 ND2 ASN A 51 0.130 -18.216 -3.036 1.00 0.00 N ATOM 0 H ASN A 51 0.186 -15.177 -5.619 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.843 -16.077 -5.690 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.521 -16.409 -2.678 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.750 -17.188 -3.654 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.802 -18.970 -3.181 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.151 -17.673 -2.173 1.00 0.00 H new ATOM 816 N PRO A 52 -3.775 -14.547 -5.137 1.00 0.00 N ATOM 817 CA PRO A 52 -4.828 -13.550 -4.924 1.00 0.00 C ATOM 818 C PRO A 52 -5.597 -13.794 -3.625 1.00 0.00 C ATOM 819 O PRO A 52 -5.470 -14.861 -3.025 1.00 0.00 O ATOM 820 CB PRO A 52 -5.747 -13.738 -6.134 1.00 0.00 C ATOM 821 CG PRO A 52 -5.532 -15.149 -6.558 1.00 0.00 C ATOM 822 CD PRO A 52 -4.094 -15.461 -6.253 1.00 0.00 C ATOM 0 HA PRO A 52 -4.425 -12.541 -4.834 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.789 -13.558 -5.871 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.496 -13.042 -6.934 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.199 -15.823 -6.021 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -5.741 -15.273 -7.621 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.961 -16.505 -5.968 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.452 -15.282 -7.115 1.00 0.00 H new ATOM 830 N THR A 53 -6.398 -12.813 -3.178 1.00 0.00 N ATOM 831 CA THR A 53 -6.565 -11.532 -3.873 1.00 0.00 C ATOM 832 C THR A 53 -6.398 -10.369 -2.903 1.00 0.00 C ATOM 833 O THR A 53 -7.116 -10.269 -1.909 1.00 0.00 O ATOM 834 CB THR A 53 -7.949 -11.462 -4.524 1.00 0.00 C ATOM 835 OG1 THR A 53 -8.124 -10.230 -5.197 1.00 0.00 O ATOM 836 CG2 THR A 53 -9.082 -11.610 -3.532 1.00 0.00 C ATOM 0 H THR A 53 -6.948 -12.889 -2.322 1.00 0.00 H new ATOM 0 HA THR A 53 -5.799 -11.460 -4.645 1.00 0.00 H new ATOM 0 HB THR A 53 -7.985 -12.299 -5.221 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.013 -10.205 -5.608 1.00 0.00 H new ATOM 0 HG21 THR A 53 -10.035 -11.551 -4.057 1.00 0.00 H new ATOM 0 HG22 THR A 53 -9.003 -12.574 -3.030 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.025 -10.811 -2.793 1.00 0.00 H new ATOM 844 N TRP A 54 -5.450 -9.484 -3.199 1.00 0.00 N ATOM 845 CA TRP A 54 -5.200 -8.325 -2.350 1.00 0.00 C ATOM 846 C TRP A 54 -5.857 -7.084 -2.944 1.00 0.00 C ATOM 847 O TRP A 54 -6.168 -7.045 -4.135 1.00 0.00 O ATOM 848 CB TRP A 54 -3.694 -8.081 -2.190 1.00 0.00 C ATOM 849 CG TRP A 54 -2.909 -9.307 -1.831 1.00 0.00 C ATOM 850 CD1 TRP A 54 -2.817 -10.458 -2.562 1.00 0.00 C ATOM 851 CD2 TRP A 54 -2.094 -9.508 -0.664 1.00 0.00 C ATOM 852 NE1 TRP A 54 -1.999 -11.359 -1.927 1.00 0.00 N ATOM 853 CE2 TRP A 54 -1.545 -10.802 -0.759 1.00 0.00 C ATOM 854 CE3 TRP A 54 -1.774 -8.725 0.455 1.00 0.00 C ATOM 855 CZ2 TRP A 54 -0.698 -11.327 0.212 1.00 0.00 C ATOM 856 CZ3 TRP A 54 -0.932 -9.251 1.417 1.00 0.00 C ATOM 857 CH2 TRP A 54 -0.402 -10.540 1.289 1.00 0.00 C ATOM 0 H TRP A 54 -4.845 -9.547 -4.018 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.629 -8.527 -1.369 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.302 -7.672 -3.121 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -3.539 -7.325 -1.420 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.316 -10.633 -3.504 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.767 -12.292 -2.269 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.178 -7.729 0.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.289 -12.322 0.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.679 -8.657 2.283 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.255 -10.921 2.057 1.00 0.00 H new ATOM 868 N HIS A 55 -6.063 -6.071 -2.112 1.00 0.00 N ATOM 869 CA HIS A 55 -6.678 -4.829 -2.562 1.00 0.00 C ATOM 870 C HIS A 55 -5.868 -3.627 -2.090 1.00 0.00 C ATOM 871 O HIS A 55 -6.357 -2.794 -1.326 1.00 0.00 O ATOM 872 CB HIS A 55 -8.118 -4.730 -2.053 1.00 0.00 C ATOM 873 CG HIS A 55 -9.004 -5.831 -2.550 1.00 0.00 C ATOM 874 ND1 HIS A 55 -9.721 -6.764 -1.879 1.00 0.00 N flip ATOM 875 CD2 HIS A 55 -9.233 -6.065 -3.890 1.00 0.00 C flip ATOM 876 CE1 HIS A 55 -10.362 -7.535 -2.818 1.00 0.00 C flip ATOM 877 NE2 HIS A 55 -10.053 -7.093 -4.022 1.00 0.00 N flip ATOM 0 H HIS A 55 -5.814 -6.085 -1.123 1.00 0.00 H new ATOM 0 HA HIS A 55 -6.692 -4.830 -3.652 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.112 -4.743 -0.963 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -8.538 -3.771 -2.357 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -9.775 -6.874 -0.866 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -8.808 -5.497 -4.704 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -11.014 -8.369 -2.605 1.00 0.00 H new ATOM 886 N CYS A 56 -4.625 -3.546 -2.551 1.00 0.00 N ATOM 887 CA CYS A 56 -3.740 -2.450 -2.177 1.00 0.00 C ATOM 888 C CYS A 56 -4.378 -1.102 -2.502 1.00 0.00 C ATOM 889 O CYS A 56 -4.473 -0.714 -3.666 1.00 0.00 O ATOM 890 CB CYS A 56 -2.398 -2.581 -2.899 1.00 0.00 C ATOM 891 SG CYS A 56 -1.209 -1.284 -2.489 1.00 0.00 S ATOM 0 H CYS A 56 -4.207 -4.227 -3.185 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.571 -2.502 -1.101 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -1.961 -3.550 -2.657 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -2.574 -2.571 -3.975 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.748 -0.120 -2.699 1.00 0.00 H new ATOM 897 N ILE A 57 -4.814 -0.394 -1.466 1.00 0.00 N ATOM 898 CA ILE A 57 -5.445 0.907 -1.639 1.00 0.00 C ATOM 899 C ILE A 57 -4.397 2.001 -1.789 1.00 0.00 C ATOM 900 O ILE A 57 -3.277 1.867 -1.299 1.00 0.00 O ATOM 901 CB ILE A 57 -6.356 1.251 -0.444 1.00 0.00 C ATOM 902 CG1 ILE A 57 -7.270 0.071 -0.114 1.00 0.00 C ATOM 903 CG2 ILE A 57 -7.184 2.489 -0.738 1.00 0.00 C ATOM 904 CD1 ILE A 57 -8.085 -0.410 -1.296 1.00 0.00 C ATOM 0 H ILE A 57 -4.741 -0.701 -0.496 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.049 0.852 -2.545 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.723 1.457 0.419 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.664 -0.754 0.260 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.946 0.359 0.691 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.820 2.714 0.119 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.521 3.333 -0.929 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.807 2.311 -1.615 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.710 -1.249 -0.990 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.717 0.401 -1.656 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.415 -0.730 -2.094 1.00 0.00 H new ATOM 916 N VAL A 58 -4.768 3.084 -2.461 1.00 0.00 N ATOM 917 CA VAL A 58 -3.858 4.203 -2.669 1.00 0.00 C ATOM 918 C VAL A 58 -4.599 5.532 -2.548 1.00 0.00 C ATOM 919 O VAL A 58 -4.767 6.255 -3.531 1.00 0.00 O ATOM 920 CB VAL A 58 -3.170 4.124 -4.047 1.00 0.00 C ATOM 921 CG1 VAL A 58 -2.194 5.278 -4.231 1.00 0.00 C ATOM 922 CG2 VAL A 58 -2.462 2.788 -4.212 1.00 0.00 C ATOM 0 H VAL A 58 -5.693 3.211 -2.871 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.093 4.144 -1.895 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.936 4.204 -4.818 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.721 5.202 -5.210 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.731 6.224 -4.161 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.430 5.236 -3.454 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.982 2.749 -5.190 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.708 2.677 -3.433 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.188 1.979 -4.132 1.00 0.00 H new ATOM 932 N GLY A 59 -5.043 5.845 -1.335 1.00 0.00 N ATOM 933 CA GLY A 59 -5.762 7.083 -1.104 1.00 0.00 C ATOM 934 C GLY A 59 -6.061 7.317 0.363 1.00 0.00 C ATOM 935 O GLY A 59 -5.397 8.120 1.018 1.00 0.00 O ATOM 0 H GLY A 59 -4.917 5.262 -0.507 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.175 7.917 -1.489 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.697 7.066 -1.664 1.00 0.00 H new ATOM 939 N ARG A 60 -7.063 6.613 0.883 1.00 0.00 N ATOM 940 CA ARG A 60 -7.443 6.753 2.284 1.00 0.00 C ATOM 941 C ARG A 60 -8.020 5.450 2.833 1.00 0.00 C ATOM 942 O ARG A 60 -7.342 4.715 3.549 1.00 0.00 O ATOM 943 CB ARG A 60 -8.454 7.890 2.449 1.00 0.00 C ATOM 944 CG ARG A 60 -7.910 9.247 2.033 1.00 0.00 C ATOM 945 CD ARG A 60 -8.931 10.351 2.264 1.00 0.00 C ATOM 946 NE ARG A 60 -9.287 10.481 3.677 1.00 0.00 N ATOM 947 CZ ARG A 60 -8.441 10.880 4.623 1.00 0.00 C ATOM 948 NH1 ARG A 60 -7.203 11.242 4.309 1.00 0.00 N ATOM 949 NH2 ARG A 60 -8.839 10.935 5.887 1.00 0.00 N ATOM 0 H ARG A 60 -7.624 5.943 0.357 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.545 6.991 2.854 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.341 7.666 1.857 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.769 7.937 3.491 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -7.003 9.465 2.597 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.632 9.221 0.979 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.529 11.298 1.903 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.828 10.143 1.682 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.242 10.252 3.954 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -6.895 11.215 3.337 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -6.560 11.547 5.040 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -9.793 10.671 6.133 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.191 11.241 6.613 1.00 0.00 H new ATOM 963 N ASN A 61 -9.276 5.175 2.500 1.00 0.00 N ATOM 964 CA ASN A 61 -9.942 3.960 2.972 1.00 0.00 C ATOM 965 C ASN A 61 -11.073 3.538 2.035 1.00 0.00 C ATOM 966 O ASN A 61 -11.933 2.741 2.413 1.00 0.00 O ATOM 967 CB ASN A 61 -10.514 4.188 4.377 1.00 0.00 C ATOM 968 CG ASN A 61 -11.757 5.085 4.407 1.00 0.00 C ATOM 969 OD1 ASN A 61 -12.124 5.687 3.269 1.00 0.00 O flip ATOM 970 ND2 ASN A 61 -12.376 5.249 5.457 1.00 0.00 N flip ATOM 0 H ASN A 61 -9.854 5.772 1.908 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.197 3.165 2.994 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -10.765 3.223 4.817 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -9.742 4.634 5.004 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.071 4.776 6.308 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.194 5.858 5.477 1.00 0.00 H new ATOM 977 N PHE A 62 -11.097 4.104 0.836 1.00 0.00 N ATOM 978 CA PHE A 62 -12.158 3.809 -0.111 1.00 0.00 C ATOM 979 C PHE A 62 -12.261 2.312 -0.412 1.00 0.00 C ATOM 980 O PHE A 62 -13.269 1.851 -0.946 1.00 0.00 O ATOM 981 CB PHE A 62 -11.967 4.593 -1.415 1.00 0.00 C ATOM 982 CG PHE A 62 -10.649 4.346 -2.096 1.00 0.00 C ATOM 983 CD1 PHE A 62 -9.491 4.963 -1.648 1.00 0.00 C ATOM 984 CD2 PHE A 62 -10.568 3.487 -3.182 1.00 0.00 C ATOM 985 CE1 PHE A 62 -8.282 4.732 -2.270 1.00 0.00 C ATOM 986 CE2 PHE A 62 -9.358 3.253 -3.809 1.00 0.00 C ATOM 987 CZ PHE A 62 -8.213 3.876 -3.351 1.00 0.00 C ATOM 0 H PHE A 62 -10.398 4.766 0.500 1.00 0.00 H new ATOM 0 HA PHE A 62 -13.091 4.122 0.357 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -12.772 4.334 -2.102 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.059 5.658 -1.202 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -9.536 5.633 -0.802 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -11.460 2.996 -3.542 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.388 5.221 -1.911 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -9.308 2.584 -4.656 1.00 0.00 H new ATOM 0 HZ PHE A 62 -7.266 3.694 -3.838 1.00 0.00 H new ATOM 997 N GLY A 63 -11.219 1.555 -0.072 1.00 0.00 N ATOM 998 CA GLY A 63 -11.232 0.126 -0.325 1.00 0.00 C ATOM 999 C GLY A 63 -10.848 -0.684 0.899 1.00 0.00 C ATOM 1000 O GLY A 63 -9.967 -1.542 0.834 1.00 0.00 O ATOM 0 H GLY A 63 -10.370 1.905 0.372 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.227 -0.172 -0.657 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.543 -0.102 -1.138 1.00 0.00 H new ATOM 1004 N SER A 64 -11.513 -0.408 2.017 1.00 0.00 N ATOM 1005 CA SER A 64 -11.244 -1.111 3.272 1.00 0.00 C ATOM 1006 C SER A 64 -11.115 -2.617 3.057 1.00 0.00 C ATOM 1007 O SER A 64 -10.013 -3.159 3.054 1.00 0.00 O ATOM 1008 CB SER A 64 -12.352 -0.820 4.286 1.00 0.00 C ATOM 1009 OG SER A 64 -12.126 -1.512 5.501 1.00 0.00 O ATOM 0 H SER A 64 -12.245 0.300 2.082 1.00 0.00 H new ATOM 0 HA SER A 64 -10.293 -0.746 3.660 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.401 0.252 4.478 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.316 -1.114 3.870 1.00 0.00 H new ATOM 0 HG SER A 64 -12.847 -1.308 6.133 1.00 0.00 H new ATOM 1015 N TYR A 65 -12.253 -3.287 2.883 1.00 0.00 N ATOM 1016 CA TYR A 65 -12.285 -4.736 2.667 1.00 0.00 C ATOM 1017 C TYR A 65 -11.316 -5.462 3.598 1.00 0.00 C ATOM 1018 O TYR A 65 -10.755 -6.496 3.236 1.00 0.00 O ATOM 1019 CB TYR A 65 -11.931 -5.077 1.218 1.00 0.00 C ATOM 1020 CG TYR A 65 -12.679 -4.264 0.191 1.00 0.00 C ATOM 1021 CD1 TYR A 65 -14.064 -4.169 0.221 1.00 0.00 C ATOM 1022 CD2 TYR A 65 -11.997 -3.594 -0.818 1.00 0.00 C ATOM 1023 CE1 TYR A 65 -14.749 -3.428 -0.724 1.00 0.00 C ATOM 1024 CE2 TYR A 65 -12.674 -2.852 -1.765 1.00 0.00 C ATOM 1025 CZ TYR A 65 -14.050 -2.771 -1.714 1.00 0.00 C ATOM 1026 OH TYR A 65 -14.728 -2.032 -2.656 1.00 0.00 O ATOM 0 H TYR A 65 -13.173 -2.847 2.887 1.00 0.00 H new ATOM 0 HA TYR A 65 -13.300 -5.068 2.884 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.861 -4.929 1.073 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -12.133 -6.134 1.046 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -14.615 -4.682 0.995 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -10.920 -3.655 -0.862 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.826 -3.364 -0.687 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -12.129 -2.337 -2.542 1.00 0.00 H new ATOM 0 HH TYR A 65 -14.088 -1.633 -3.281 1.00 0.00 H new ATOM 1036 N VAL A 66 -11.112 -4.914 4.787 1.00 0.00 N ATOM 1037 CA VAL A 66 -10.196 -5.517 5.747 1.00 0.00 C ATOM 1038 C VAL A 66 -10.925 -6.377 6.777 1.00 0.00 C ATOM 1039 O VAL A 66 -10.296 -7.002 7.630 1.00 0.00 O ATOM 1040 CB VAL A 66 -9.371 -4.442 6.478 1.00 0.00 C ATOM 1041 CG1 VAL A 66 -8.355 -5.084 7.411 1.00 0.00 C ATOM 1042 CG2 VAL A 66 -8.684 -3.526 5.478 1.00 0.00 C ATOM 0 H VAL A 66 -11.564 -4.059 5.110 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.529 -6.159 5.173 1.00 0.00 H new ATOM 0 HB VAL A 66 -10.050 -3.840 7.082 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.783 -4.306 7.917 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.874 -5.692 8.151 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.678 -5.714 6.834 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.106 -2.772 6.013 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.018 -4.113 4.845 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -9.435 -3.035 4.859 1.00 0.00 H new ATOM 1052 N THR A 67 -12.249 -6.410 6.699 1.00 0.00 N ATOM 1053 CA THR A 67 -13.042 -7.201 7.630 1.00 0.00 C ATOM 1054 C THR A 67 -13.751 -8.341 6.914 1.00 0.00 C ATOM 1055 O THR A 67 -14.043 -9.377 7.512 1.00 0.00 O ATOM 1056 CB THR A 67 -14.065 -6.315 8.339 1.00 0.00 C ATOM 1057 OG1 THR A 67 -13.422 -5.264 9.037 1.00 0.00 O ATOM 1058 CG2 THR A 67 -14.925 -7.066 9.334 1.00 0.00 C ATOM 0 H THR A 67 -12.794 -5.900 6.004 1.00 0.00 H new ATOM 0 HA THR A 67 -12.365 -7.629 8.369 1.00 0.00 H new ATOM 0 HB THR A 67 -14.707 -5.930 7.547 1.00 0.00 H new ATOM 0 HG1 THR A 67 -14.095 -4.708 9.482 1.00 0.00 H new ATOM 0 HG21 THR A 67 -15.629 -6.376 9.800 1.00 0.00 H new ATOM 0 HG22 THR A 67 -15.476 -7.853 8.818 1.00 0.00 H new ATOM 0 HG23 THR A 67 -14.290 -7.510 10.101 1.00 0.00 H new ATOM 1066 N HIS A 68 -14.028 -8.144 5.633 1.00 0.00 N ATOM 1067 CA HIS A 68 -14.705 -9.158 4.836 1.00 0.00 C ATOM 1068 C HIS A 68 -14.058 -10.529 5.024 1.00 0.00 C ATOM 1069 O HIS A 68 -14.728 -11.551 4.891 1.00 0.00 O ATOM 1070 CB HIS A 68 -14.683 -8.770 3.354 1.00 0.00 C ATOM 1071 CG HIS A 68 -15.575 -9.618 2.498 1.00 0.00 C ATOM 1072 ND1 HIS A 68 -15.466 -10.990 2.416 1.00 0.00 N ATOM 1073 CD2 HIS A 68 -16.599 -9.275 1.681 1.00 0.00 C ATOM 1074 CE1 HIS A 68 -16.381 -11.455 1.585 1.00 0.00 C ATOM 1075 NE2 HIS A 68 -17.084 -10.435 1.127 1.00 0.00 N ATOM 0 H HIS A 68 -13.795 -7.292 5.123 1.00 0.00 H new ATOM 0 HA HIS A 68 -15.739 -9.217 5.176 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -14.984 -7.727 3.256 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -13.661 -8.843 2.983 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -14.784 -11.558 2.919 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -16.966 -8.276 1.499 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -16.529 -12.493 1.324 1.00 0.00 H new ATOM 1084 N GLU A 69 -12.753 -10.536 5.343 1.00 0.00 N ATOM 1085 CA GLU A 69 -12.002 -11.787 5.558 1.00 0.00 C ATOM 1086 C GLU A 69 -10.504 -11.580 5.350 1.00 0.00 C ATOM 1087 O GLU A 69 -9.843 -12.388 4.698 1.00 0.00 O ATOM 1088 CB GLU A 69 -12.482 -12.888 4.611 1.00 0.00 C ATOM 1089 CG GLU A 69 -12.370 -12.499 3.149 1.00 0.00 C ATOM 1090 CD GLU A 69 -12.938 -13.549 2.216 1.00 0.00 C ATOM 1091 OE1 GLU A 69 -12.440 -14.693 2.235 1.00 0.00 O ATOM 1092 OE2 GLU A 69 -13.885 -13.226 1.466 1.00 0.00 O ATOM 0 H GLU A 69 -12.195 -9.690 5.458 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.183 -12.089 6.589 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.898 -13.792 4.787 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.520 -13.129 4.839 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.892 -11.556 2.988 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.322 -12.329 2.902 1.00 0.00 H new ATOM 1099 N THR A 70 -9.976 -10.501 5.899 1.00 0.00 N ATOM 1100 CA THR A 70 -8.559 -10.194 5.766 1.00 0.00 C ATOM 1101 C THR A 70 -7.737 -10.879 6.857 1.00 0.00 C ATOM 1102 O THR A 70 -7.151 -11.934 6.624 1.00 0.00 O ATOM 1103 CB THR A 70 -8.368 -8.678 5.802 1.00 0.00 C ATOM 1104 OG1 THR A 70 -9.020 -8.077 4.698 1.00 0.00 O ATOM 1105 CG2 THR A 70 -6.921 -8.237 5.776 1.00 0.00 C ATOM 0 H THR A 70 -10.506 -9.820 6.443 1.00 0.00 H new ATOM 0 HA THR A 70 -8.201 -10.578 4.811 1.00 0.00 H new ATOM 0 HB THR A 70 -8.797 -8.359 6.752 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.991 -8.144 4.815 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.872 -7.148 5.804 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.400 -8.646 6.642 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.447 -8.598 4.863 1.00 0.00 H new ATOM 1113 N LYS A 71 -7.696 -10.272 8.040 1.00 0.00 N ATOM 1114 CA LYS A 71 -6.942 -10.818 9.172 1.00 0.00 C ATOM 1115 C LYS A 71 -5.436 -10.589 9.011 1.00 0.00 C ATOM 1116 O LYS A 71 -4.656 -10.916 9.905 1.00 0.00 O ATOM 1117 CB LYS A 71 -7.223 -12.315 9.348 1.00 0.00 C ATOM 1118 CG LYS A 71 -8.697 -12.645 9.517 1.00 0.00 C ATOM 1119 CD LYS A 71 -9.283 -11.966 10.745 1.00 0.00 C ATOM 1120 CE LYS A 71 -10.756 -12.297 10.914 1.00 0.00 C ATOM 1121 NZ LYS A 71 -11.560 -11.870 9.735 1.00 0.00 N ATOM 0 H LYS A 71 -8.178 -9.396 8.243 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.276 -10.287 10.064 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.837 -12.852 8.482 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.676 -12.678 10.218 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.246 -12.330 8.629 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.822 -13.724 9.602 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.734 -12.280 11.633 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.159 -10.886 10.659 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.872 -13.371 11.063 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.138 -11.808 11.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.571 -11.892 9.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.290 -10.903 9.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.381 -12.516 8.940 1.00 0.00 H new ATOM 1135 N HIS A 72 -5.032 -10.021 7.876 1.00 0.00 N ATOM 1136 CA HIS A 72 -3.624 -9.745 7.616 1.00 0.00 C ATOM 1137 C HIS A 72 -3.474 -8.626 6.591 1.00 0.00 C ATOM 1138 O HIS A 72 -3.480 -8.863 5.383 1.00 0.00 O ATOM 1139 CB HIS A 72 -2.900 -11.011 7.145 1.00 0.00 C ATOM 1140 CG HIS A 72 -3.599 -11.748 6.043 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -3.107 -12.913 5.494 1.00 0.00 N ATOM 1142 CD2 HIS A 72 -4.761 -11.493 5.396 1.00 0.00 C ATOM 1143 CE1 HIS A 72 -3.936 -13.342 4.560 1.00 0.00 C ATOM 1144 NE2 HIS A 72 -4.947 -12.498 4.482 1.00 0.00 N ATOM 0 H HIS A 72 -5.661 -9.744 7.123 1.00 0.00 H new ATOM 0 HA HIS A 72 -3.164 -9.417 8.549 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.900 -10.739 6.807 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.778 -11.683 7.995 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -5.419 -10.654 5.568 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -3.808 -14.232 3.962 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -5.739 -12.580 3.845 1.00 0.00 H new ATOM 1153 N PHE A 73 -3.353 -7.400 7.092 1.00 0.00 N ATOM 1154 CA PHE A 73 -3.218 -6.222 6.242 1.00 0.00 C ATOM 1155 C PHE A 73 -1.936 -5.456 6.562 1.00 0.00 C ATOM 1156 O PHE A 73 -1.100 -5.917 7.339 1.00 0.00 O ATOM 1157 CB PHE A 73 -4.427 -5.303 6.451 1.00 0.00 C ATOM 1158 CG PHE A 73 -4.521 -4.745 7.847 1.00 0.00 C ATOM 1159 CD1 PHE A 73 -3.611 -3.800 8.295 1.00 0.00 C ATOM 1160 CD2 PHE A 73 -5.507 -5.182 8.717 1.00 0.00 C ATOM 1161 CE1 PHE A 73 -3.684 -3.298 9.576 1.00 0.00 C ATOM 1162 CE2 PHE A 73 -5.586 -4.681 10.003 1.00 0.00 C ATOM 1163 CZ PHE A 73 -4.673 -3.737 10.433 1.00 0.00 C ATOM 0 H PHE A 73 -3.346 -7.196 8.091 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.171 -6.550 5.204 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.374 -4.478 5.741 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.338 -5.858 6.227 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.834 -3.452 7.630 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.221 -5.922 8.387 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -2.968 -2.562 9.909 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -6.361 -5.027 10.671 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.733 -3.344 11.437 1.00 0.00 H new ATOM 1173 N ILE A 74 -1.807 -4.266 5.979 1.00 0.00 N ATOM 1174 CA ILE A 74 -0.654 -3.412 6.222 1.00 0.00 C ATOM 1175 C ILE A 74 -0.952 -1.974 5.798 1.00 0.00 C ATOM 1176 O ILE A 74 -1.094 -1.681 4.611 1.00 0.00 O ATOM 1177 CB ILE A 74 0.608 -3.912 5.493 1.00 0.00 C ATOM 1178 CG1 ILE A 74 1.787 -2.985 5.795 1.00 0.00 C ATOM 1179 CG2 ILE A 74 0.362 -4.014 3.996 1.00 0.00 C ATOM 1180 CD1 ILE A 74 3.040 -3.318 5.018 1.00 0.00 C ATOM 0 H ILE A 74 -2.492 -3.873 5.333 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.458 -3.446 7.294 1.00 0.00 H new ATOM 0 HB ILE A 74 0.851 -4.911 5.856 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.496 -1.958 5.574 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.009 -3.031 6.861 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.267 -4.369 3.502 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.452 -4.714 3.808 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.095 -3.033 3.603 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.831 -2.618 5.286 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.358 -4.333 5.257 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.836 -3.244 3.950 1.00 0.00 H new ATOM 1192 N TYR A 75 -1.055 -1.083 6.778 1.00 0.00 N ATOM 1193 CA TYR A 75 -1.348 0.320 6.506 1.00 0.00 C ATOM 1194 C TYR A 75 -0.083 1.169 6.533 1.00 0.00 C ATOM 1195 O TYR A 75 0.790 0.978 7.379 1.00 0.00 O ATOM 1196 CB TYR A 75 -2.356 0.860 7.526 1.00 0.00 C ATOM 1197 CG TYR A 75 -3.721 0.202 7.469 1.00 0.00 C ATOM 1198 CD1 TYR A 75 -4.017 -0.779 6.526 1.00 0.00 C ATOM 1199 CD2 TYR A 75 -4.719 0.568 8.364 1.00 0.00 C ATOM 1200 CE1 TYR A 75 -5.264 -1.373 6.479 1.00 0.00 C ATOM 1201 CE2 TYR A 75 -5.968 -0.020 8.322 1.00 0.00 C ATOM 1202 CZ TYR A 75 -6.235 -0.990 7.380 1.00 0.00 C ATOM 1203 OH TYR A 75 -7.478 -1.578 7.336 1.00 0.00 O ATOM 0 H TYR A 75 -0.940 -1.307 7.767 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.777 0.380 5.506 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.946 0.730 8.527 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.476 1.932 7.367 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -3.259 -1.081 5.819 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -4.514 1.326 9.106 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -5.477 -2.132 5.741 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -6.732 0.279 9.024 1.00 0.00 H new ATOM 0 HH TYR A 75 -8.045 -1.197 8.039 1.00 0.00 H new ATOM 1213 N PHE A 76 0.002 2.115 5.604 1.00 0.00 N ATOM 1214 CA PHE A 76 1.151 3.011 5.514 1.00 0.00 C ATOM 1215 C PHE A 76 0.864 4.133 4.523 1.00 0.00 C ATOM 1216 O PHE A 76 0.468 3.875 3.388 1.00 0.00 O ATOM 1217 CB PHE A 76 2.401 2.239 5.085 1.00 0.00 C ATOM 1218 CG PHE A 76 2.301 1.644 3.709 1.00 0.00 C ATOM 1219 CD1 PHE A 76 1.337 0.693 3.417 1.00 0.00 C ATOM 1220 CD2 PHE A 76 3.172 2.039 2.705 1.00 0.00 C ATOM 1221 CE1 PHE A 76 1.242 0.148 2.150 1.00 0.00 C ATOM 1222 CE2 PHE A 76 3.082 1.497 1.437 1.00 0.00 C ATOM 1223 CZ PHE A 76 2.116 0.551 1.160 1.00 0.00 C ATOM 0 H PHE A 76 -0.715 2.282 4.898 1.00 0.00 H new ATOM 0 HA PHE A 76 1.331 3.444 6.498 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.261 2.908 5.120 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.589 1.441 5.803 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.652 0.374 4.188 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.930 2.779 2.916 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.485 -0.592 1.935 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.767 1.813 0.664 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.044 0.126 0.170 1.00 0.00 H new ATOM 1233 N TYR A 77 1.058 5.377 4.951 1.00 0.00 N ATOM 1234 CA TYR A 77 0.803 6.517 4.077 1.00 0.00 C ATOM 1235 C TYR A 77 2.086 7.273 3.755 1.00 0.00 C ATOM 1236 O TYR A 77 2.994 7.371 4.582 1.00 0.00 O ATOM 1237 CB TYR A 77 -0.226 7.470 4.698 1.00 0.00 C ATOM 1238 CG TYR A 77 0.249 8.183 5.944 1.00 0.00 C ATOM 1239 CD1 TYR A 77 0.475 7.490 7.126 1.00 0.00 C ATOM 1240 CD2 TYR A 77 0.465 9.554 5.934 1.00 0.00 C ATOM 1241 CE1 TYR A 77 0.903 8.146 8.264 1.00 0.00 C ATOM 1242 CE2 TYR A 77 0.893 10.216 7.067 1.00 0.00 C ATOM 1243 CZ TYR A 77 1.110 9.509 8.229 1.00 0.00 C ATOM 1244 OH TYR A 77 1.536 10.167 9.360 1.00 0.00 O ATOM 0 H TYR A 77 1.387 5.620 5.886 1.00 0.00 H new ATOM 0 HA TYR A 77 0.397 6.122 3.146 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.507 8.215 3.954 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -1.126 6.905 4.939 1.00 0.00 H new ATOM 0 HD1 TYR A 77 0.314 6.423 7.156 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.295 10.112 5.025 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.075 7.594 9.176 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.057 11.283 7.043 1.00 0.00 H new ATOM 0 HH TYR A 77 1.634 11.122 9.165 1.00 0.00 H new ATOM 1254 N LEU A 78 2.144 7.806 2.539 1.00 0.00 N ATOM 1255 CA LEU A 78 3.303 8.562 2.081 1.00 0.00 C ATOM 1256 C LEU A 78 2.923 10.015 1.819 1.00 0.00 C ATOM 1257 O LEU A 78 2.092 10.303 0.957 1.00 0.00 O ATOM 1258 CB LEU A 78 3.873 7.938 0.803 1.00 0.00 C ATOM 1259 CG LEU A 78 4.282 6.468 0.921 1.00 0.00 C ATOM 1260 CD1 LEU A 78 4.748 5.936 -0.425 1.00 0.00 C ATOM 1261 CD2 LEU A 78 5.373 6.298 1.968 1.00 0.00 C ATOM 0 H LEU A 78 1.397 7.727 1.849 1.00 0.00 H new ATOM 0 HA LEU A 78 4.062 8.531 2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.130 8.029 0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.743 8.517 0.492 1.00 0.00 H new ATOM 0 HG LEU A 78 3.411 5.893 1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.035 4.889 -0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.939 6.021 -1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.605 6.515 -0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.650 5.246 2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.246 6.885 1.683 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.006 6.641 2.935 1.00 0.00 H new ATOM 1273 N GLY A 79 3.533 10.928 2.568 1.00 0.00 N ATOM 1274 CA GLY A 79 3.237 12.339 2.396 1.00 0.00 C ATOM 1275 C GLY A 79 1.825 12.690 2.824 1.00 0.00 C ATOM 1276 O GLY A 79 1.616 13.245 3.903 1.00 0.00 O ATOM 0 H GLY A 79 4.224 10.718 3.288 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.947 12.930 2.975 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.375 12.611 1.350 1.00 0.00 H new ATOM 1280 N GLN A 80 0.851 12.366 1.977 1.00 0.00 N ATOM 1281 CA GLN A 80 -0.546 12.652 2.276 1.00 0.00 C ATOM 1282 C GLN A 80 -1.471 11.618 1.637 1.00 0.00 C ATOM 1283 O GLN A 80 -2.641 11.896 1.377 1.00 0.00 O ATOM 1284 CB GLN A 80 -0.923 14.056 1.792 1.00 0.00 C ATOM 1285 CG GLN A 80 -0.790 14.246 0.290 1.00 0.00 C ATOM 1286 CD GLN A 80 0.642 14.114 -0.194 1.00 0.00 C ATOM 1287 OE1 GLN A 80 0.879 13.158 -1.086 1.00 0.00 O flip ATOM 1288 NE2 GLN A 80 1.524 14.862 0.226 1.00 0.00 N flip ATOM 0 H GLN A 80 1.005 11.906 1.080 1.00 0.00 H new ATOM 0 HA GLN A 80 -0.669 12.602 3.358 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.951 14.267 2.085 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -0.291 14.786 2.298 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -1.411 13.510 -0.221 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -1.172 15.230 0.017 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.298 15.583 0.911 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.481 14.761 -0.111 1.00 0.00 H new ATOM 1297 N VAL A 81 -0.941 10.423 1.390 1.00 0.00 N ATOM 1298 CA VAL A 81 -1.722 9.350 0.786 1.00 0.00 C ATOM 1299 C VAL A 81 -1.504 8.035 1.528 1.00 0.00 C ATOM 1300 O VAL A 81 -0.385 7.529 1.597 1.00 0.00 O ATOM 1301 CB VAL A 81 -1.361 9.157 -0.701 1.00 0.00 C ATOM 1302 CG1 VAL A 81 -2.234 8.081 -1.334 1.00 0.00 C ATOM 1303 CG2 VAL A 81 -1.484 10.472 -1.459 1.00 0.00 C ATOM 0 H VAL A 81 0.026 10.174 1.599 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.771 9.639 0.859 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.324 8.827 -0.760 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.962 7.962 -2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.084 7.137 -0.811 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.282 8.373 -1.262 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.225 10.314 -2.506 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.509 10.837 -1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.807 11.207 -1.025 1.00 0.00 H new ATOM 1313 N ALA A 82 -2.580 7.493 2.092 1.00 0.00 N ATOM 1314 CA ALA A 82 -2.504 6.244 2.838 1.00 0.00 C ATOM 1315 C ALA A 82 -2.780 5.033 1.956 1.00 0.00 C ATOM 1316 O ALA A 82 -3.838 4.925 1.336 1.00 0.00 O ATOM 1317 CB ALA A 82 -3.470 6.273 4.014 1.00 0.00 C ATOM 0 H ALA A 82 -3.514 7.900 2.046 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.485 6.148 3.212 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.403 5.334 4.563 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.212 7.100 4.676 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.487 6.407 3.646 1.00 0.00 H new ATOM 1323 N ILE A 83 -1.816 4.117 1.921 1.00 0.00 N ATOM 1324 CA ILE A 83 -1.938 2.898 1.137 1.00 0.00 C ATOM 1325 C ILE A 83 -2.326 1.729 2.038 1.00 0.00 C ATOM 1326 O ILE A 83 -1.747 1.545 3.110 1.00 0.00 O ATOM 1327 CB ILE A 83 -0.619 2.562 0.406 1.00 0.00 C ATOM 1328 CG1 ILE A 83 -0.177 3.739 -0.468 1.00 0.00 C ATOM 1329 CG2 ILE A 83 -0.774 1.304 -0.439 1.00 0.00 C ATOM 1330 CD1 ILE A 83 0.291 4.942 0.324 1.00 0.00 C ATOM 0 H ILE A 83 -0.937 4.200 2.431 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.715 3.063 0.391 1.00 0.00 H new ATOM 0 HB ILE A 83 0.149 2.377 1.157 1.00 0.00 H new ATOM 0 HG12 ILE A 83 0.629 3.411 -1.124 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.007 4.037 -1.108 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.167 1.087 -0.944 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.043 0.465 0.203 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.557 1.458 -1.181 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.588 5.736 -0.361 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.520 5.297 0.960 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.142 4.661 0.944 1.00 0.00 H new ATOM 1342 N LEU A 84 -3.311 0.946 1.608 1.00 0.00 N ATOM 1343 CA LEU A 84 -3.770 -0.195 2.392 1.00 0.00 C ATOM 1344 C LEU A 84 -3.609 -1.502 1.626 1.00 0.00 C ATOM 1345 O LEU A 84 -4.459 -1.866 0.815 1.00 0.00 O ATOM 1346 CB LEU A 84 -5.235 -0.013 2.799 1.00 0.00 C ATOM 1347 CG LEU A 84 -5.497 1.113 3.801 1.00 0.00 C ATOM 1348 CD1 LEU A 84 -5.044 2.451 3.236 1.00 0.00 C ATOM 1349 CD2 LEU A 84 -6.972 1.160 4.171 1.00 0.00 C ATOM 0 H LEU A 84 -3.804 1.080 0.725 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.150 -0.245 3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.824 0.176 1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.596 -0.949 3.226 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.920 0.912 4.704 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.239 3.238 3.964 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.976 2.412 3.021 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.592 2.662 2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.143 1.966 4.885 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.566 1.337 3.275 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.265 0.211 4.619 1.00 0.00 H new ATOM 1361 N LEU A 85 -2.526 -2.214 1.909 1.00 0.00 N ATOM 1362 CA LEU A 85 -2.266 -3.493 1.262 1.00 0.00 C ATOM 1363 C LEU A 85 -2.698 -4.629 2.179 1.00 0.00 C ATOM 1364 O LEU A 85 -2.422 -4.607 3.378 1.00 0.00 O ATOM 1365 CB LEU A 85 -0.784 -3.629 0.909 1.00 0.00 C ATOM 1366 CG LEU A 85 -0.365 -5.006 0.390 1.00 0.00 C ATOM 1367 CD1 LEU A 85 -1.019 -5.296 -0.952 1.00 0.00 C ATOM 1368 CD2 LEU A 85 1.149 -5.098 0.284 1.00 0.00 C ATOM 0 H LEU A 85 -1.814 -1.928 2.581 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.841 -3.542 0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.536 -2.882 0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.193 -3.396 1.794 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.704 -5.759 1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.708 -6.280 -1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.103 -5.277 -0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.715 -4.540 -1.676 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.429 -6.084 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.513 -4.335 -0.404 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.593 -4.941 1.267 1.00 0.00 H new ATOM 1380 N PHE A 86 -3.394 -5.608 1.622 1.00 0.00 N ATOM 1381 CA PHE A 86 -3.872 -6.726 2.422 1.00 0.00 C ATOM 1382 C PHE A 86 -4.470 -7.822 1.553 1.00 0.00 C ATOM 1383 O PHE A 86 -4.795 -7.599 0.388 1.00 0.00 O ATOM 1384 CB PHE A 86 -4.920 -6.223 3.413 1.00 0.00 C ATOM 1385 CG PHE A 86 -6.086 -5.549 2.745 1.00 0.00 C ATOM 1386 CD1 PHE A 86 -6.975 -6.278 1.971 1.00 0.00 C ATOM 1387 CD2 PHE A 86 -6.281 -4.183 2.876 1.00 0.00 C ATOM 1388 CE1 PHE A 86 -8.037 -5.657 1.341 1.00 0.00 C ATOM 1389 CE2 PHE A 86 -7.343 -3.558 2.250 1.00 0.00 C ATOM 1390 CZ PHE A 86 -8.221 -4.297 1.481 1.00 0.00 C ATOM 0 H PHE A 86 -3.638 -5.652 0.633 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.023 -7.152 2.956 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.284 -7.062 4.006 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.451 -5.524 4.105 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -6.836 -7.343 1.859 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -5.596 -3.601 3.474 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -8.722 -6.236 0.740 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.486 -2.493 2.362 1.00 0.00 H new ATOM 0 HZ PHE A 86 -9.051 -3.810 0.990 1.00 0.00 H new ATOM 1400 N LYS A 87 -4.628 -9.004 2.138 1.00 0.00 N ATOM 1401 CA LYS A 87 -5.206 -10.136 1.430 1.00 0.00 C ATOM 1402 C LYS A 87 -6.547 -10.502 2.058 1.00 0.00 C ATOM 1403 O LYS A 87 -6.638 -11.423 2.870 1.00 0.00 O ATOM 1404 CB LYS A 87 -4.244 -11.330 1.468 1.00 0.00 C ATOM 1405 CG LYS A 87 -4.617 -12.475 0.532 1.00 0.00 C ATOM 1406 CD LYS A 87 -5.923 -13.145 0.931 1.00 0.00 C ATOM 1407 CE LYS A 87 -6.161 -14.414 0.131 1.00 0.00 C ATOM 1408 NZ LYS A 87 -5.067 -15.406 0.325 1.00 0.00 N ATOM 0 H LYS A 87 -4.363 -9.202 3.103 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.370 -9.864 0.387 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.243 -10.982 1.214 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -4.199 -11.712 2.488 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.702 -12.096 -0.486 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.817 -13.215 0.531 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -5.902 -13.382 1.995 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.751 -12.454 0.775 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.111 -14.858 0.429 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.243 -14.166 -0.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.416 -16.357 0.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.268 -15.167 -0.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.753 -15.387 1.316 1.00 0.00 H new ATOM 1422 N SER A 88 -7.587 -9.764 1.680 1.00 0.00 N ATOM 1423 CA SER A 88 -8.928 -9.996 2.206 1.00 0.00 C ATOM 1424 C SER A 88 -9.491 -11.317 1.693 1.00 0.00 C ATOM 1425 O SER A 88 -10.446 -11.337 0.916 1.00 0.00 O ATOM 1426 CB SER A 88 -9.854 -8.846 1.809 1.00 0.00 C ATOM 1427 OG SER A 88 -9.983 -8.758 0.401 1.00 0.00 O ATOM 0 H SER A 88 -7.526 -8.998 1.009 1.00 0.00 H new ATOM 0 HA SER A 88 -8.865 -10.047 3.293 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.836 -8.994 2.259 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.462 -7.907 2.201 1.00 0.00 H new ATOM 0 HG SER A 88 -10.365 -9.591 0.055 1.00 0.00 H new ATOM 1433 N GLY A 89 -8.895 -12.422 2.130 1.00 0.00 N ATOM 1434 CA GLY A 89 -9.354 -13.732 1.705 1.00 0.00 C ATOM 1435 C GLY A 89 -9.369 -13.881 0.194 1.00 0.00 C ATOM 1436 O GLY A 89 -9.857 -14.921 -0.294 1.00 0.00 O ATOM 1437 OXT GLY A 89 -8.893 -12.957 -0.498 1.00 0.00 O ATOM 0 H GLY A 89 -8.102 -12.434 2.771 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.708 -14.497 2.136 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.357 -13.906 2.094 1.00 0.00 H new