USER MOD reduce.3.24.130724 H: found=0, std=0, add=898, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 898 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: B 45 MET CE :methyl -163:sc= -0.487 (180deg=-1.05) USER MOD Set 1.2: B 97 HIS : no HD1:sc= -0.55 K(o=-1,f=-2.5) USER MOD Set 2.1: B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: B 62 GLN : amide:sc= -2.24! K(o=-2.2!,f=-0.63) USER MOD Single : B 0 MET CE :methyl 163:sc= -0.11 (180deg=-0.471) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 5 ASN : amide:sc= 0.362 K(o=0.36,f=-5!) USER MOD Single : B 7 ASN : amide:sc= -0.0375 X(o=-0.037,f=0) USER MOD Single : B 9 MET CE :methyl 157:sc= -0.142 (180deg=-0.696) USER MOD Single : B -1 LYS NZ :NH3+ 175:sc= 1.28 (180deg=1.16) USER MOD Single : B -7 HIS : no HE2:sc= 0.297 K(o=0.3,f=-5.5!) USER MOD Single : B -8 HIS : no HD1:sc= 0 X(o=0,f=-0.00074) USER MOD Single : B -9 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0.0026 USER MOD Single : B 11 LYS NZ :NH3+ 153:sc= 1.53 (180deg=0.814) USER MOD Single : B 16 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : B 17 SER OG : rot 80:sc= 0.221 USER MOD Single : B 18 MET CE :methyl -152:sc= -0.896 (180deg=-2.82!) USER MOD Single : B 19 THR OG1 : rot -95:sc= -0.95! USER MOD Single : B 28 LYS NZ :NH3+ 172:sc= 1.15 (180deg=0.891) USER MOD Single : B 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 37 LYS NZ :NH3+ -171:sc= -0.0172 (180deg=-0.123) USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 LYS NZ :NH3+ -173:sc=-0.00631 (180deg=-0.0752) USER MOD Single : B 46 THR OG1 : rot 180:sc= 0 USER MOD Single : B 47 TYR OH : rot 48:sc= 0.236 USER MOD Single : B 49 GLN : amide:sc=-0.00716 X(o=-0.0072,f=-0.0072) USER MOD Single : B 52 THR OG1 : rot -30:sc= 0.0847 USER MOD Single : B 57 SER OG : rot -33:sc= -1.25! USER MOD Single : B 58 THR OG1 : rot 160:sc= -1.61! USER MOD Single : B 60 LYS NZ :NH3+ 169:sc= 1.13 (180deg=0.842) USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 68 SER OG : rot 180:sc= 0 USER MOD Single : B 69 MET CE :methyl -173:sc= -1.64 (180deg=-1.79) USER MOD Single : B 72 LYS NZ :NH3+ 165:sc= 1.25 (180deg=0.907) USER MOD Single : B 74 ASN : amide:sc=-0.00213 K(o=-0.0021,f=-3.6!) USER MOD Single : B 75 SER OG : rot 180:sc= 0 USER MOD Single : B 77 THR OG1 : rot 180:sc= 0 USER MOD Single : B 80 THR OG1 : rot 180:sc= 0 USER MOD Single : B 84 SER OG : rot 94:sc= 1.24 USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 96 LYS NZ :NH3+ 156:sc= 0.109 (180deg=-0.0454) USER MOD Single : B -10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B -11 HIS : no HD1:sc= -0.282 X(o=-0.28,f=0.059) USER MOD Single : B -12 HIS : no HD1:sc= -0.36 X(o=-0.36,f=-0.019) USER MOD Single : B -14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B -14 MET N :NH3+ -143:sc= 1.32 (180deg=0.864) USER MOD Single : B 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET B -14 38.911 30.552 9.395 1.00 0.00 N ATOM 2 CA MET B -14 38.676 29.285 10.127 1.00 0.00 C ATOM 3 C MET B -14 37.231 28.841 9.953 1.00 0.00 C ATOM 4 O MET B -14 36.347 29.663 9.708 1.00 0.00 O ATOM 5 CB MET B -14 38.991 29.451 11.623 1.00 0.00 C ATOM 6 CG MET B -14 37.988 30.307 12.387 1.00 0.00 C ATOM 7 SD MET B -14 37.919 32.012 11.807 1.00 0.00 S ATOM 8 CE MET B -14 36.730 32.705 12.953 1.00 0.00 C ATOM 0 H1 MET B -14 39.864 30.541 8.979 1.00 0.00 H new ATOM 0 H2 MET B -14 38.204 30.652 8.638 1.00 0.00 H new ATOM 0 H3 MET B -14 38.829 31.353 10.053 1.00 0.00 H new ATOM 0 HA MET B -14 39.340 28.525 9.714 1.00 0.00 H new ATOM 0 HB2 MET B -14 39.034 28.464 12.084 1.00 0.00 H new ATOM 0 HB3 MET B -14 39.981 29.894 11.726 1.00 0.00 H new ATOM 0 HG2 MET B -14 36.998 29.860 12.299 1.00 0.00 H new ATOM 0 HG3 MET B -14 38.247 30.301 13.446 1.00 0.00 H new ATOM 0 HE1 MET B -14 36.577 33.760 12.725 1.00 0.00 H new ATOM 0 HE2 MET B -14 35.783 32.173 12.861 1.00 0.00 H new ATOM 0 HE3 MET B -14 37.105 32.604 13.972 1.00 0.00 H new ATOM 20 N ALA B -13 36.997 27.544 10.075 1.00 0.00 N ATOM 21 CA ALA B -13 35.661 26.991 9.934 1.00 0.00 C ATOM 22 C ALA B -13 34.889 27.112 11.242 1.00 0.00 C ATOM 23 O ALA B -13 35.096 26.333 12.173 1.00 0.00 O ATOM 24 CB ALA B -13 35.739 25.537 9.494 1.00 0.00 C ATOM 0 H ALA B -13 37.720 26.852 10.272 1.00 0.00 H new ATOM 0 HA ALA B -13 35.129 27.559 9.171 1.00 0.00 H new ATOM 0 HB1 ALA B -13 34.732 25.133 9.392 1.00 0.00 H new ATOM 0 HB2 ALA B -13 36.254 25.474 8.536 1.00 0.00 H new ATOM 0 HB3 ALA B -13 36.287 24.960 10.239 1.00 0.00 H new ATOM 30 N HIS B -12 34.012 28.100 11.314 1.00 0.00 N ATOM 31 CA HIS B -12 33.188 28.308 12.496 1.00 0.00 C ATOM 32 C HIS B -12 31.970 27.388 12.449 1.00 0.00 C ATOM 33 O HIS B -12 31.078 27.571 11.624 1.00 0.00 O ATOM 34 CB HIS B -12 32.751 29.775 12.582 1.00 0.00 C ATOM 35 CG HIS B -12 31.956 30.108 13.810 1.00 0.00 C ATOM 36 ND1 HIS B -12 30.582 30.188 13.818 1.00 0.00 N ATOM 37 CD2 HIS B -12 32.354 30.394 15.072 1.00 0.00 C ATOM 38 CE1 HIS B -12 30.168 30.507 15.028 1.00 0.00 C ATOM 39 NE2 HIS B -12 31.223 30.638 15.810 1.00 0.00 N ATOM 0 H HIS B -12 33.851 28.774 10.565 1.00 0.00 H new ATOM 0 HA HIS B -12 33.772 28.069 13.385 1.00 0.00 H new ATOM 0 HB2 HIS B -12 33.637 30.409 12.553 1.00 0.00 H new ATOM 0 HB3 HIS B -12 32.157 30.018 11.701 1.00 0.00 H new ATOM 0 HD2 HIS B -12 33.372 30.424 15.431 1.00 0.00 H new ATOM 0 HE1 HIS B -12 29.139 30.639 15.329 1.00 0.00 H new ATOM 0 HE2 HIS B -12 31.201 30.881 16.800 1.00 0.00 H new ATOM 48 N HIS B -11 31.944 26.399 13.329 1.00 0.00 N ATOM 49 CA HIS B -11 30.867 25.416 13.342 1.00 0.00 C ATOM 50 C HIS B -11 29.787 25.802 14.343 1.00 0.00 C ATOM 51 O HIS B -11 29.937 25.580 15.546 1.00 0.00 O ATOM 52 CB HIS B -11 31.400 24.024 13.692 1.00 0.00 C ATOM 53 CG HIS B -11 32.194 23.369 12.606 1.00 0.00 C ATOM 54 ND1 HIS B -11 31.716 22.313 11.863 1.00 0.00 N ATOM 55 CD2 HIS B -11 33.447 23.607 12.156 1.00 0.00 C ATOM 56 CE1 HIS B -11 32.642 21.929 11.005 1.00 0.00 C ATOM 57 NE2 HIS B -11 33.702 22.698 11.160 1.00 0.00 N ATOM 0 H HIS B -11 32.656 26.254 14.045 1.00 0.00 H new ATOM 0 HA HIS B -11 30.436 25.395 12.341 1.00 0.00 H new ATOM 0 HB2 HIS B -11 32.023 24.102 14.583 1.00 0.00 H new ATOM 0 HB3 HIS B -11 30.558 23.381 13.947 1.00 0.00 H new ATOM 0 HD2 HIS B -11 34.122 24.371 12.514 1.00 0.00 H new ATOM 0 HE1 HIS B -11 32.548 21.121 10.295 1.00 0.00 H new ATOM 0 HE2 HIS B -11 34.569 22.629 10.627 1.00 0.00 H new ATOM 66 N HIS B -10 28.707 26.385 13.849 1.00 0.00 N ATOM 67 CA HIS B -10 27.577 26.742 14.696 1.00 0.00 C ATOM 68 C HIS B -10 26.378 25.858 14.363 1.00 0.00 C ATOM 69 O HIS B -10 25.447 25.721 15.159 1.00 0.00 O ATOM 70 CB HIS B -10 27.219 28.223 14.521 1.00 0.00 C ATOM 71 CG HIS B -10 26.169 28.718 15.476 1.00 0.00 C ATOM 72 ND1 HIS B -10 25.025 29.370 15.068 1.00 0.00 N ATOM 73 CD2 HIS B -10 26.104 28.665 16.828 1.00 0.00 C ATOM 74 CE1 HIS B -10 24.306 29.695 16.126 1.00 0.00 C ATOM 75 NE2 HIS B -10 24.936 29.280 17.206 1.00 0.00 N ATOM 0 H HIS B -10 28.587 26.622 12.864 1.00 0.00 H new ATOM 0 HA HIS B -10 27.854 26.581 15.738 1.00 0.00 H new ATOM 0 HB2 HIS B -10 28.121 28.821 14.648 1.00 0.00 H new ATOM 0 HB3 HIS B -10 26.871 28.383 13.501 1.00 0.00 H new ATOM 0 HD2 HIS B -10 26.836 28.221 17.487 1.00 0.00 H new ATOM 0 HE1 HIS B -10 23.359 30.214 16.109 1.00 0.00 H new ATOM 0 HE2 HIS B -10 24.610 29.396 18.165 1.00 0.00 H new ATOM 84 N HIS B -9 26.408 25.255 13.183 1.00 0.00 N ATOM 85 CA HIS B -9 25.329 24.379 12.742 1.00 0.00 C ATOM 86 C HIS B -9 25.615 22.937 13.132 1.00 0.00 C ATOM 87 O HIS B -9 26.331 22.223 12.434 1.00 0.00 O ATOM 88 CB HIS B -9 25.124 24.478 11.227 1.00 0.00 C ATOM 89 CG HIS B -9 24.343 25.680 10.793 1.00 0.00 C ATOM 90 ND1 HIS B -9 23.082 25.596 10.243 1.00 0.00 N ATOM 91 CD2 HIS B -9 24.652 26.999 10.813 1.00 0.00 C ATOM 92 CE1 HIS B -9 22.650 26.805 9.945 1.00 0.00 C ATOM 93 NE2 HIS B -9 23.582 27.675 10.281 1.00 0.00 N ATOM 0 H HIS B -9 27.169 25.356 12.512 1.00 0.00 H new ATOM 0 HA HIS B -9 24.414 24.705 13.237 1.00 0.00 H new ATOM 0 HB2 HIS B -9 26.099 24.496 10.740 1.00 0.00 H new ATOM 0 HB3 HIS B -9 24.611 23.580 10.881 1.00 0.00 H new ATOM 0 HD2 HIS B -9 25.569 27.437 11.179 1.00 0.00 H new ATOM 0 HE1 HIS B -9 21.695 27.043 9.501 1.00 0.00 H new ATOM 0 HE2 HIS B -9 23.518 28.686 10.165 1.00 0.00 H new ATOM 102 N HIS B -8 25.053 22.513 14.252 1.00 0.00 N ATOM 103 CA HIS B -8 25.238 21.149 14.734 1.00 0.00 C ATOM 104 C HIS B -8 23.923 20.381 14.673 1.00 0.00 C ATOM 105 O HIS B -8 23.675 19.474 15.465 1.00 0.00 O ATOM 106 CB HIS B -8 25.805 21.140 16.161 1.00 0.00 C ATOM 107 CG HIS B -8 24.974 21.878 17.167 1.00 0.00 C ATOM 108 ND1 HIS B -8 24.024 21.266 17.954 1.00 0.00 N ATOM 109 CD2 HIS B -8 24.968 23.184 17.523 1.00 0.00 C ATOM 110 CE1 HIS B -8 23.468 22.162 18.746 1.00 0.00 C ATOM 111 NE2 HIS B -8 24.023 23.332 18.505 1.00 0.00 N ATOM 0 H HIS B -8 24.463 23.094 14.848 1.00 0.00 H new ATOM 0 HA HIS B -8 25.960 20.654 14.084 1.00 0.00 H new ATOM 0 HB2 HIS B -8 25.914 20.106 16.488 1.00 0.00 H new ATOM 0 HB3 HIS B -8 26.804 21.576 16.144 1.00 0.00 H new ATOM 0 HD2 HIS B -8 25.591 23.964 17.110 1.00 0.00 H new ATOM 0 HE1 HIS B -8 22.690 21.969 19.469 1.00 0.00 H new ATOM 0 HE2 HIS B -8 23.788 24.207 18.973 1.00 0.00 H new ATOM 120 N HIS B -7 23.082 20.767 13.724 1.00 0.00 N ATOM 121 CA HIS B -7 21.798 20.111 13.522 1.00 0.00 C ATOM 122 C HIS B -7 22.002 18.859 12.680 1.00 0.00 C ATOM 123 O HIS B -7 22.120 18.936 11.459 1.00 0.00 O ATOM 124 CB HIS B -7 20.820 21.068 12.833 1.00 0.00 C ATOM 125 CG HIS B -7 19.401 20.587 12.814 1.00 0.00 C ATOM 126 ND1 HIS B -7 18.828 19.967 11.727 1.00 0.00 N ATOM 127 CD2 HIS B -7 18.432 20.659 13.756 1.00 0.00 C ATOM 128 CE1 HIS B -7 17.569 19.682 11.997 1.00 0.00 C ATOM 129 NE2 HIS B -7 17.302 20.089 13.222 1.00 0.00 N ATOM 0 H HIS B -7 23.267 21.535 13.079 1.00 0.00 H new ATOM 0 HA HIS B -7 21.376 19.829 14.487 1.00 0.00 H new ATOM 0 HB2 HIS B -7 20.858 22.034 13.337 1.00 0.00 H new ATOM 0 HB3 HIS B -7 21.150 21.231 11.807 1.00 0.00 H new ATOM 0 HD1 HIS B -7 19.303 19.760 10.849 1.00 0.00 H new ATOM 0 HD2 HIS B -7 18.529 21.085 14.744 1.00 0.00 H new ATOM 0 HE1 HIS B -7 16.874 19.197 11.327 1.00 0.00 H new ATOM 138 N VAL B -6 22.056 17.715 13.338 1.00 0.00 N ATOM 139 CA VAL B -6 22.365 16.461 12.666 1.00 0.00 C ATOM 140 C VAL B -6 21.120 15.809 12.061 1.00 0.00 C ATOM 141 O VAL B -6 20.664 14.751 12.506 1.00 0.00 O ATOM 142 CB VAL B -6 23.081 15.476 13.615 1.00 0.00 C ATOM 143 CG1 VAL B -6 24.521 15.916 13.841 1.00 0.00 C ATOM 144 CG2 VAL B -6 22.351 15.373 14.948 1.00 0.00 C ATOM 0 H VAL B -6 21.890 17.626 14.340 1.00 0.00 H new ATOM 0 HA VAL B -6 23.041 16.705 11.847 1.00 0.00 H new ATOM 0 HB VAL B -6 23.078 14.492 13.147 1.00 0.00 H new ATOM 0 HG11 VAL B -6 25.015 15.213 14.512 1.00 0.00 H new ATOM 0 HG12 VAL B -6 25.048 15.939 12.887 1.00 0.00 H new ATOM 0 HG13 VAL B -6 24.532 16.911 14.286 1.00 0.00 H new ATOM 0 HG21 VAL B -6 22.876 14.673 15.597 1.00 0.00 H new ATOM 0 HG22 VAL B -6 22.319 16.354 15.422 1.00 0.00 H new ATOM 0 HG23 VAL B -6 21.334 15.018 14.780 1.00 0.00 H new ATOM 154 N ASP B -5 20.576 16.451 11.034 1.00 0.00 N ATOM 155 CA ASP B -5 19.433 15.911 10.302 1.00 0.00 C ATOM 156 C ASP B -5 19.908 15.056 9.135 1.00 0.00 C ATOM 157 O ASP B -5 19.109 14.581 8.324 1.00 0.00 O ATOM 158 CB ASP B -5 18.522 17.038 9.798 1.00 0.00 C ATOM 159 CG ASP B -5 19.255 18.065 8.955 1.00 0.00 C ATOM 160 OD1 ASP B -5 19.197 17.985 7.712 1.00 0.00 O ATOM 161 OD2 ASP B -5 19.888 18.970 9.538 1.00 0.00 O1- ATOM 0 H ASP B -5 20.909 17.351 10.687 1.00 0.00 H new ATOM 0 HA ASP B -5 18.857 15.287 10.985 1.00 0.00 H new ATOM 0 HB2 ASP B -5 17.712 16.606 9.211 1.00 0.00 H new ATOM 0 HB3 ASP B -5 18.065 17.537 10.653 1.00 0.00 H new ATOM 166 N ASP B -4 21.215 14.864 9.062 1.00 0.00 N ATOM 167 CA ASP B -4 21.822 14.025 8.041 1.00 0.00 C ATOM 168 C ASP B -4 21.797 12.559 8.473 1.00 0.00 C ATOM 169 O ASP B -4 22.706 12.075 9.148 1.00 0.00 O ATOM 170 CB ASP B -4 23.260 14.491 7.752 1.00 0.00 C ATOM 171 CG ASP B -4 24.126 14.606 9.000 1.00 0.00 C ATOM 172 OD1 ASP B -4 25.184 13.938 9.064 1.00 0.00 O ATOM 173 OD2 ASP B -4 23.760 15.372 9.917 1.00 0.00 O1- ATOM 0 H ASP B -4 21.884 15.284 9.707 1.00 0.00 H new ATOM 0 HA ASP B -4 21.244 14.117 7.121 1.00 0.00 H new ATOM 0 HB2 ASP B -4 23.727 13.792 7.059 1.00 0.00 H new ATOM 0 HB3 ASP B -4 23.226 15.459 7.253 1.00 0.00 H new ATOM 178 N ASP B -3 20.735 11.859 8.096 1.00 0.00 N ATOM 179 CA ASP B -3 20.571 10.460 8.478 1.00 0.00 C ATOM 180 C ASP B -3 20.985 9.534 7.341 1.00 0.00 C ATOM 181 O ASP B -3 21.239 8.348 7.561 1.00 0.00 O ATOM 182 CB ASP B -3 19.118 10.171 8.876 1.00 0.00 C ATOM 183 CG ASP B -3 18.166 10.204 7.698 1.00 0.00 C ATOM 184 OD1 ASP B -3 17.670 9.132 7.295 1.00 0.00 O ATOM 185 OD2 ASP B -3 17.913 11.302 7.165 1.00 0.00 O1- ATOM 0 H ASP B -3 19.976 12.234 7.528 1.00 0.00 H new ATOM 0 HA ASP B -3 21.217 10.274 9.336 1.00 0.00 H new ATOM 0 HB2 ASP B -3 19.065 9.192 9.352 1.00 0.00 H new ATOM 0 HB3 ASP B -3 18.797 10.903 9.617 1.00 0.00 H new ATOM 190 N ASP B -2 21.062 10.078 6.131 1.00 0.00 N ATOM 191 CA ASP B -2 21.420 9.284 4.960 1.00 0.00 C ATOM 192 C ASP B -2 22.915 9.011 4.949 1.00 0.00 C ATOM 193 O ASP B -2 23.718 9.890 4.630 1.00 0.00 O ATOM 194 CB ASP B -2 21.009 9.989 3.660 1.00 0.00 C ATOM 195 CG ASP B -2 19.522 10.265 3.572 1.00 0.00 C ATOM 196 OD1 ASP B -2 18.726 9.305 3.624 1.00 0.00 O ATOM 197 OD2 ASP B -2 19.139 11.448 3.438 1.00 0.00 O1- ATOM 0 H ASP B -2 20.882 11.063 5.935 1.00 0.00 H new ATOM 0 HA ASP B -2 20.880 8.339 5.019 1.00 0.00 H new ATOM 0 HB2 ASP B -2 21.552 10.931 3.578 1.00 0.00 H new ATOM 0 HB3 ASP B -2 21.308 9.374 2.811 1.00 0.00 H new ATOM 202 N LYS B -1 23.287 7.793 5.319 1.00 0.00 N ATOM 203 CA LYS B -1 24.690 7.407 5.391 1.00 0.00 C ATOM 204 C LYS B -1 24.925 6.113 4.619 1.00 0.00 C ATOM 205 O LYS B -1 25.811 5.327 4.952 1.00 0.00 O ATOM 206 CB LYS B -1 25.124 7.237 6.853 1.00 0.00 C ATOM 207 CG LYS B -1 24.935 8.486 7.706 1.00 0.00 C ATOM 208 CD LYS B -1 25.782 9.649 7.204 1.00 0.00 C ATOM 209 CE LYS B -1 25.541 10.905 8.026 1.00 0.00 C ATOM 210 NZ LYS B -1 26.367 12.051 7.558 1.00 0.00 N1+ ATOM 0 H LYS B -1 22.634 7.053 5.575 1.00 0.00 H new ATOM 0 HA LYS B -1 25.289 8.198 4.939 1.00 0.00 H new ATOM 0 HB2 LYS B -1 24.558 6.418 7.296 1.00 0.00 H new ATOM 0 HB3 LYS B -1 26.175 6.948 6.878 1.00 0.00 H new ATOM 0 HG2 LYS B -1 23.884 8.774 7.701 1.00 0.00 H new ATOM 0 HG3 LYS B -1 25.200 8.263 8.740 1.00 0.00 H new ATOM 0 HD2 LYS B -1 26.837 9.379 7.250 1.00 0.00 H new ATOM 0 HD3 LYS B -1 25.548 9.846 6.158 1.00 0.00 H new ATOM 0 HE2 LYS B -1 24.486 11.174 7.974 1.00 0.00 H new ATOM 0 HE3 LYS B -1 25.766 10.701 9.073 1.00 0.00 H new ATOM 0 HZ1 LYS B -1 26.109 12.906 8.091 1.00 0.00 H new ATOM 0 HZ2 LYS B -1 27.374 11.839 7.711 1.00 0.00 H new ATOM 0 HZ3 LYS B -1 26.197 12.211 6.544 1.00 0.00 H new ATOM 224 N MET B 0 24.128 5.901 3.582 1.00 0.00 N ATOM 225 CA MET B 0 24.221 4.691 2.775 1.00 0.00 C ATOM 226 C MET B 0 24.373 5.043 1.300 1.00 0.00 C ATOM 227 O MET B 0 23.569 4.624 0.465 1.00 0.00 O ATOM 228 CB MET B 0 22.978 3.811 2.969 1.00 0.00 C ATOM 229 CG MET B 0 22.808 3.287 4.384 1.00 0.00 C ATOM 230 SD MET B 0 21.309 2.301 4.590 1.00 0.00 S ATOM 231 CE MET B 0 21.642 0.926 3.486 1.00 0.00 C ATOM 0 H MET B 0 23.406 6.554 3.278 1.00 0.00 H new ATOM 0 HA MET B 0 25.100 4.136 3.102 1.00 0.00 H new ATOM 0 HB2 MET B 0 22.093 4.385 2.696 1.00 0.00 H new ATOM 0 HB3 MET B 0 23.033 2.965 2.283 1.00 0.00 H new ATOM 0 HG2 MET B 0 23.675 2.682 4.649 1.00 0.00 H new ATOM 0 HG3 MET B 0 22.782 4.128 5.077 1.00 0.00 H new ATOM 0 HE1 MET B 0 20.972 0.099 3.722 1.00 0.00 H new ATOM 0 HE2 MET B 0 21.482 1.240 2.455 1.00 0.00 H new ATOM 0 HE3 MET B 0 22.675 0.602 3.610 1.00 0.00 H new ATOM 241 N GLU B 1 25.400 5.823 0.985 1.00 0.00 N ATOM 242 CA GLU B 1 25.658 6.223 -0.392 1.00 0.00 C ATOM 243 C GLU B 1 26.342 5.076 -1.134 1.00 0.00 C ATOM 244 O GLU B 1 26.194 4.921 -2.347 1.00 0.00 O ATOM 245 CB GLU B 1 26.528 7.484 -0.428 1.00 0.00 C ATOM 246 CG GLU B 1 26.456 8.249 -1.741 1.00 0.00 C ATOM 247 CD GLU B 1 25.074 8.813 -2.013 1.00 0.00 C ATOM 248 OE1 GLU B 1 24.770 9.932 -1.540 1.00 0.00 O ATOM 249 OE2 GLU B 1 24.285 8.151 -2.712 1.00 0.00 O1- ATOM 0 H GLU B 1 26.067 6.191 1.664 1.00 0.00 H new ATOM 0 HA GLU B 1 24.712 6.451 -0.884 1.00 0.00 H new ATOM 0 HB2 GLU B 1 26.224 8.146 0.383 1.00 0.00 H new ATOM 0 HB3 GLU B 1 27.564 7.203 -0.239 1.00 0.00 H new ATOM 0 HG2 GLU B 1 27.180 9.064 -1.723 1.00 0.00 H new ATOM 0 HG3 GLU B 1 26.742 7.587 -2.559 1.00 0.00 H new ATOM 256 N ASP B 2 27.081 4.270 -0.386 1.00 0.00 N ATOM 257 CA ASP B 2 27.692 3.062 -0.922 1.00 0.00 C ATOM 258 C ASP B 2 27.046 1.844 -0.292 1.00 0.00 C ATOM 259 O ASP B 2 26.653 1.887 0.876 1.00 0.00 O ATOM 260 CB ASP B 2 29.199 3.027 -0.660 1.00 0.00 C ATOM 261 CG ASP B 2 29.976 3.959 -1.564 1.00 0.00 C ATOM 262 OD1 ASP B 2 30.103 3.652 -2.767 1.00 0.00 O ATOM 263 OD2 ASP B 2 30.481 4.990 -1.072 1.00 0.00 O1- ATOM 0 H ASP B 2 27.273 4.433 0.602 1.00 0.00 H new ATOM 0 HA ASP B 2 27.535 3.058 -2.001 1.00 0.00 H new ATOM 0 HB2 ASP B 2 29.388 3.296 0.379 1.00 0.00 H new ATOM 0 HB3 ASP B 2 29.563 2.009 -0.797 1.00 0.00 H new ATOM 268 N THR B 3 26.937 0.768 -1.063 1.00 0.00 N ATOM 269 CA THR B 3 26.330 -0.465 -0.581 1.00 0.00 C ATOM 270 C THR B 3 24.877 -0.206 -0.178 1.00 0.00 C ATOM 271 O THR B 3 24.498 -0.326 0.988 1.00 0.00 O ATOM 272 CB THR B 3 27.133 -1.042 0.608 1.00 0.00 C ATOM 273 OG1 THR B 3 28.533 -1.042 0.283 1.00 0.00 O ATOM 274 CG2 THR B 3 26.697 -2.461 0.940 1.00 0.00 C ATOM 0 H THR B 3 27.263 0.726 -2.029 1.00 0.00 H new ATOM 0 HA THR B 3 26.346 -1.201 -1.384 1.00 0.00 H new ATOM 0 HB THR B 3 26.944 -0.414 1.479 1.00 0.00 H new ATOM 0 HG1 THR B 3 29.044 -1.406 1.036 1.00 0.00 H new ATOM 0 HG21 THR B 3 27.282 -2.834 1.780 1.00 0.00 H new ATOM 0 HG22 THR B 3 25.640 -2.464 1.205 1.00 0.00 H new ATOM 0 HG23 THR B 3 26.856 -3.103 0.073 1.00 0.00 H new ATOM 282 N ALA B 4 24.073 0.182 -1.157 1.00 0.00 N ATOM 283 CA ALA B 4 22.690 0.549 -0.907 1.00 0.00 C ATOM 284 C ALA B 4 21.734 -0.472 -1.504 1.00 0.00 C ATOM 285 O ALA B 4 21.585 -0.567 -2.725 1.00 0.00 O ATOM 286 CB ALA B 4 22.403 1.932 -1.467 1.00 0.00 C ATOM 0 H ALA B 4 24.357 0.250 -2.134 1.00 0.00 H new ATOM 0 HA ALA B 4 22.534 0.565 0.172 1.00 0.00 H new ATOM 0 HB1 ALA B 4 21.363 2.195 -1.273 1.00 0.00 H new ATOM 0 HB2 ALA B 4 23.057 2.661 -0.989 1.00 0.00 H new ATOM 0 HB3 ALA B 4 22.583 1.934 -2.542 1.00 0.00 H new ATOM 292 N ASN B 5 21.101 -1.240 -0.635 1.00 0.00 N ATOM 293 CA ASN B 5 20.095 -2.205 -1.049 1.00 0.00 C ATOM 294 C ASN B 5 18.704 -1.656 -0.758 1.00 0.00 C ATOM 295 O ASN B 5 18.467 -1.089 0.309 1.00 0.00 O ATOM 296 CB ASN B 5 20.291 -3.550 -0.333 1.00 0.00 C ATOM 297 CG ASN B 5 20.219 -3.450 1.184 1.00 0.00 C ATOM 298 OD1 ASN B 5 20.643 -2.459 1.783 1.00 0.00 O ATOM 299 ND2 ASN B 5 19.676 -4.477 1.816 1.00 0.00 N ATOM 0 H ASN B 5 21.267 -1.214 0.371 1.00 0.00 H new ATOM 0 HA ASN B 5 20.202 -2.374 -2.121 1.00 0.00 H new ATOM 0 HB2 ASN B 5 19.531 -4.250 -0.679 1.00 0.00 H new ATOM 0 HB3 ASN B 5 21.259 -3.965 -0.616 1.00 0.00 H new ATOM 0 HD21 ASN B 5 19.597 -4.466 2.833 1.00 0.00 H new ATOM 0 HD22 ASN B 5 19.336 -5.280 1.287 1.00 0.00 H new ATOM 306 N PRO B 6 17.770 -1.789 -1.712 1.00 0.00 N ATOM 307 CA PRO B 6 16.395 -1.313 -1.546 1.00 0.00 C ATOM 308 C PRO B 6 15.563 -2.220 -0.640 1.00 0.00 C ATOM 309 O PRO B 6 14.617 -2.873 -1.086 1.00 0.00 O ATOM 310 CB PRO B 6 15.852 -1.325 -2.967 1.00 0.00 C ATOM 311 CG PRO B 6 16.603 -2.418 -3.641 1.00 0.00 C ATOM 312 CD PRO B 6 17.982 -2.400 -3.037 1.00 0.00 C ATOM 0 HA PRO B 6 16.355 -0.335 -1.066 1.00 0.00 H new ATOM 0 HB2 PRO B 6 14.779 -1.513 -2.981 1.00 0.00 H new ATOM 0 HB3 PRO B 6 16.014 -0.368 -3.462 1.00 0.00 H new ATOM 0 HG2 PRO B 6 16.119 -3.381 -3.482 1.00 0.00 H new ATOM 0 HG3 PRO B 6 16.646 -2.257 -4.718 1.00 0.00 H new ATOM 0 HD2 PRO B 6 18.397 -3.405 -2.954 1.00 0.00 H new ATOM 0 HD3 PRO B 6 18.677 -1.817 -3.641 1.00 0.00 H new ATOM 320 N ASN B 7 15.933 -2.267 0.631 1.00 0.00 N ATOM 321 CA ASN B 7 15.175 -3.009 1.629 1.00 0.00 C ATOM 322 C ASN B 7 13.938 -2.216 2.029 1.00 0.00 C ATOM 323 O ASN B 7 12.880 -2.779 2.322 1.00 0.00 O ATOM 324 CB ASN B 7 16.051 -3.297 2.854 1.00 0.00 C ATOM 325 CG ASN B 7 15.272 -3.895 4.013 1.00 0.00 C ATOM 326 OD1 ASN B 7 15.087 -5.110 4.096 1.00 0.00 O ATOM 327 ND2 ASN B 7 14.836 -3.049 4.930 1.00 0.00 N ATOM 0 H ASN B 7 16.760 -1.796 0.998 1.00 0.00 H new ATOM 0 HA ASN B 7 14.859 -3.961 1.203 1.00 0.00 H new ATOM 0 HB2 ASN B 7 16.851 -3.981 2.569 1.00 0.00 H new ATOM 0 HB3 ASN B 7 16.525 -2.371 3.181 1.00 0.00 H new ATOM 0 HD21 ASN B 7 14.326 -3.396 5.743 1.00 0.00 H new ATOM 0 HD22 ASN B 7 15.009 -2.049 4.825 1.00 0.00 H new ATOM 334 N GLU B 8 14.082 -0.902 2.029 1.00 0.00 N ATOM 335 CA GLU B 8 12.983 -0.006 2.323 1.00 0.00 C ATOM 336 C GLU B 8 12.400 0.507 1.010 1.00 0.00 C ATOM 337 O GLU B 8 13.139 0.897 0.106 1.00 0.00 O ATOM 338 CB GLU B 8 13.475 1.143 3.213 1.00 0.00 C ATOM 339 CG GLU B 8 12.393 2.122 3.633 1.00 0.00 C ATOM 340 CD GLU B 8 12.874 3.109 4.681 1.00 0.00 C ATOM 341 OE1 GLU B 8 12.488 2.964 5.859 1.00 0.00 O ATOM 342 OE2 GLU B 8 13.646 4.029 4.339 1.00 0.00 O1- ATOM 0 H GLU B 8 14.963 -0.430 1.825 1.00 0.00 H new ATOM 0 HA GLU B 8 12.198 -0.531 2.867 1.00 0.00 H new ATOM 0 HB2 GLU B 8 13.933 0.722 4.108 1.00 0.00 H new ATOM 0 HB3 GLU B 8 14.255 1.689 2.682 1.00 0.00 H new ATOM 0 HG2 GLU B 8 12.043 2.669 2.757 1.00 0.00 H new ATOM 0 HG3 GLU B 8 11.540 1.569 4.025 1.00 0.00 H new ATOM 349 N MET B 9 11.080 0.499 0.906 1.00 0.00 N ATOM 350 CA MET B 9 10.411 0.818 -0.349 1.00 0.00 C ATOM 351 C MET B 9 9.916 2.254 -0.327 1.00 0.00 C ATOM 352 O MET B 9 9.371 2.710 0.666 1.00 0.00 O ATOM 353 CB MET B 9 9.247 -0.154 -0.589 1.00 0.00 C ATOM 354 CG MET B 9 8.217 -0.190 0.531 1.00 0.00 C ATOM 355 SD MET B 9 7.051 -1.556 0.359 1.00 0.00 S ATOM 356 CE MET B 9 8.123 -2.957 0.663 1.00 0.00 C ATOM 0 H MET B 9 10.449 0.275 1.675 1.00 0.00 H new ATOM 0 HA MET B 9 11.123 0.712 -1.168 1.00 0.00 H new ATOM 0 HB2 MET B 9 8.747 0.120 -1.518 1.00 0.00 H new ATOM 0 HB3 MET B 9 9.650 -1.157 -0.728 1.00 0.00 H new ATOM 0 HG2 MET B 9 8.730 -0.274 1.489 1.00 0.00 H new ATOM 0 HG3 MET B 9 7.668 0.752 0.545 1.00 0.00 H new ATOM 0 HE1 MET B 9 7.526 -3.807 0.994 1.00 0.00 H new ATOM 0 HE2 MET B 9 8.649 -3.219 -0.255 1.00 0.00 H new ATOM 0 HE3 MET B 9 8.848 -2.700 1.435 1.00 0.00 H new ATOM 366 N THR B 10 10.123 2.966 -1.424 1.00 0.00 N ATOM 367 CA THR B 10 9.805 4.383 -1.482 1.00 0.00 C ATOM 368 C THR B 10 8.306 4.632 -1.411 1.00 0.00 C ATOM 369 O THR B 10 7.520 3.755 -1.771 1.00 0.00 O ATOM 370 CB THR B 10 10.375 5.024 -2.759 1.00 0.00 C ATOM 371 OG1 THR B 10 10.056 4.213 -3.898 1.00 0.00 O ATOM 372 CG2 THR B 10 11.881 5.183 -2.653 1.00 0.00 C ATOM 0 H THR B 10 10.510 2.584 -2.287 1.00 0.00 H new ATOM 0 HA THR B 10 10.269 4.845 -0.611 1.00 0.00 H new ATOM 0 HB THR B 10 9.926 6.010 -2.878 1.00 0.00 H new ATOM 0 HG1 THR B 10 10.420 4.628 -4.707 1.00 0.00 H new ATOM 0 HG21 THR B 10 12.264 5.638 -3.566 1.00 0.00 H new ATOM 0 HG22 THR B 10 12.121 5.820 -1.802 1.00 0.00 H new ATOM 0 HG23 THR B 10 12.341 4.205 -2.514 1.00 0.00 H new ATOM 380 N LYS B 11 7.911 5.815 -0.946 1.00 0.00 N ATOM 381 CA LYS B 11 6.499 6.134 -0.771 1.00 0.00 C ATOM 382 C LYS B 11 5.713 5.876 -2.056 1.00 0.00 C ATOM 383 O LYS B 11 4.629 5.290 -2.023 1.00 0.00 O ATOM 384 CB LYS B 11 6.328 7.589 -0.305 1.00 0.00 C ATOM 385 CG LYS B 11 6.882 8.625 -1.273 1.00 0.00 C ATOM 386 CD LYS B 11 6.961 10.011 -0.646 1.00 0.00 C ATOM 387 CE LYS B 11 5.612 10.488 -0.131 1.00 0.00 C ATOM 388 NZ LYS B 11 5.686 11.870 0.410 1.00 0.00 N1+ ATOM 0 H LYS B 11 8.549 6.567 -0.684 1.00 0.00 H new ATOM 0 HA LYS B 11 6.097 5.478 0.001 1.00 0.00 H new ATOM 0 HB2 LYS B 11 5.267 7.786 -0.148 1.00 0.00 H new ATOM 0 HB3 LYS B 11 6.821 7.710 0.660 1.00 0.00 H new ATOM 0 HG2 LYS B 11 7.875 8.319 -1.601 1.00 0.00 H new ATOM 0 HG3 LYS B 11 6.251 8.665 -2.161 1.00 0.00 H new ATOM 0 HD2 LYS B 11 7.677 9.995 0.176 1.00 0.00 H new ATOM 0 HD3 LYS B 11 7.338 10.720 -1.383 1.00 0.00 H new ATOM 0 HE2 LYS B 11 4.881 10.452 -0.939 1.00 0.00 H new ATOM 0 HE3 LYS B 11 5.260 9.811 0.647 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 4.755 12.326 0.325 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 5.965 11.836 1.411 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 6.390 12.416 -0.127 1.00 0.00 H new ATOM 402 N ASP B 12 6.290 6.261 -3.189 1.00 0.00 N ATOM 403 CA ASP B 12 5.619 6.117 -4.473 1.00 0.00 C ATOM 404 C ASP B 12 5.538 4.656 -4.885 1.00 0.00 C ATOM 405 O ASP B 12 4.497 4.192 -5.349 1.00 0.00 O ATOM 406 CB ASP B 12 6.344 6.911 -5.557 1.00 0.00 C ATOM 407 CG ASP B 12 5.637 6.818 -6.896 1.00 0.00 C ATOM 408 OD1 ASP B 12 4.610 7.502 -7.080 1.00 0.00 O ATOM 409 OD2 ASP B 12 6.104 6.055 -7.766 1.00 0.00 O1- ATOM 0 H ASP B 12 7.221 6.675 -3.243 1.00 0.00 H new ATOM 0 HA ASP B 12 4.608 6.509 -4.360 1.00 0.00 H new ATOM 0 HB2 ASP B 12 6.414 7.956 -5.256 1.00 0.00 H new ATOM 0 HB3 ASP B 12 7.364 6.539 -5.658 1.00 0.00 H new ATOM 414 N ALA B 13 6.634 3.931 -4.698 1.00 0.00 N ATOM 415 CA ALA B 13 6.691 2.524 -5.070 1.00 0.00 C ATOM 416 C ALA B 13 5.748 1.706 -4.208 1.00 0.00 C ATOM 417 O ALA B 13 5.054 0.815 -4.700 1.00 0.00 O ATOM 418 CB ALA B 13 8.105 2.000 -4.942 1.00 0.00 C ATOM 0 H ALA B 13 7.495 4.295 -4.291 1.00 0.00 H new ATOM 0 HA ALA B 13 6.378 2.432 -6.110 1.00 0.00 H new ATOM 0 HB1 ALA B 13 8.130 0.947 -5.224 1.00 0.00 H new ATOM 0 HB2 ALA B 13 8.764 2.567 -5.599 1.00 0.00 H new ATOM 0 HB3 ALA B 13 8.441 2.108 -3.911 1.00 0.00 H new ATOM 424 N TRP B 14 5.723 2.016 -2.920 1.00 0.00 N ATOM 425 CA TRP B 14 4.811 1.361 -2.005 1.00 0.00 C ATOM 426 C TRP B 14 3.375 1.615 -2.442 1.00 0.00 C ATOM 427 O TRP B 14 2.593 0.684 -2.601 1.00 0.00 O ATOM 428 CB TRP B 14 5.024 1.856 -0.574 1.00 0.00 C ATOM 429 CG TRP B 14 4.075 1.240 0.405 1.00 0.00 C ATOM 430 CD1 TRP B 14 4.194 0.021 1.005 1.00 0.00 C ATOM 431 CD2 TRP B 14 2.855 1.806 0.886 1.00 0.00 C ATOM 432 NE1 TRP B 14 3.122 -0.202 1.832 1.00 0.00 N ATOM 433 CE2 TRP B 14 2.288 0.880 1.778 1.00 0.00 C ATOM 434 CE3 TRP B 14 2.187 3.011 0.651 1.00 0.00 C ATOM 435 CZ2 TRP B 14 1.089 1.120 2.435 1.00 0.00 C ATOM 436 CZ3 TRP B 14 0.995 3.247 1.302 1.00 0.00 C ATOM 437 CH2 TRP B 14 0.458 2.307 2.186 1.00 0.00 C ATOM 0 H TRP B 14 6.325 2.717 -2.489 1.00 0.00 H new ATOM 0 HA TRP B 14 5.009 0.289 -2.024 1.00 0.00 H new ATOM 0 HB2 TRP B 14 6.047 1.636 -0.268 1.00 0.00 H new ATOM 0 HB3 TRP B 14 4.910 2.940 -0.550 1.00 0.00 H new ATOM 0 HD1 TRP B 14 5.012 -0.668 0.852 1.00 0.00 H new ATOM 0 HE1 TRP B 14 2.972 -1.039 2.395 1.00 0.00 H new ATOM 0 HE3 TRP B 14 2.597 3.744 -0.028 1.00 0.00 H new ATOM 0 HZ2 TRP B 14 0.670 0.396 3.118 1.00 0.00 H new ATOM 0 HZ3 TRP B 14 0.468 4.173 1.126 1.00 0.00 H new ATOM 0 HH2 TRP B 14 -0.476 2.523 2.683 1.00 0.00 H new ATOM 448 N LEU B 15 3.047 2.886 -2.656 1.00 0.00 N ATOM 449 CA LEU B 15 1.726 3.276 -3.135 1.00 0.00 C ATOM 450 C LEU B 15 1.374 2.541 -4.419 1.00 0.00 C ATOM 451 O LEU B 15 0.264 2.029 -4.566 1.00 0.00 O ATOM 452 CB LEU B 15 1.675 4.783 -3.390 1.00 0.00 C ATOM 453 CG LEU B 15 1.625 5.659 -2.140 1.00 0.00 C ATOM 454 CD1 LEU B 15 1.757 7.126 -2.515 1.00 0.00 C ATOM 455 CD2 LEU B 15 0.336 5.417 -1.369 1.00 0.00 C ATOM 0 H LEU B 15 3.684 3.668 -2.504 1.00 0.00 H new ATOM 0 HA LEU B 15 1.002 3.011 -2.364 1.00 0.00 H new ATOM 0 HB2 LEU B 15 2.550 5.065 -3.975 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.799 5.001 -4.001 1.00 0.00 H new ATOM 0 HG LEU B 15 2.463 5.391 -1.497 1.00 0.00 H new ATOM 0 HD11 LEU B 15 1.719 7.737 -1.613 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.708 7.287 -3.023 1.00 0.00 H new ATOM 0 HD13 LEU B 15 0.939 7.407 -3.178 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.318 6.050 -0.482 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.518 5.657 -2.003 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.282 4.370 -1.069 1.00 0.00 H new ATOM 467 N ASN B 16 2.337 2.485 -5.328 1.00 0.00 N ATOM 468 CA ASN B 16 2.158 1.846 -6.628 1.00 0.00 C ATOM 469 C ASN B 16 1.786 0.377 -6.468 1.00 0.00 C ATOM 470 O ASN B 16 0.909 -0.138 -7.162 1.00 0.00 O ATOM 471 CB ASN B 16 3.453 1.969 -7.437 1.00 0.00 C ATOM 472 CG ASN B 16 3.352 1.353 -8.819 1.00 0.00 C ATOM 473 OD1 ASN B 16 2.303 1.398 -9.463 1.00 0.00 O ATOM 474 ND2 ASN B 16 4.440 0.756 -9.279 1.00 0.00 N ATOM 0 H ASN B 16 3.266 2.881 -5.187 1.00 0.00 H new ATOM 0 HA ASN B 16 1.345 2.347 -7.153 1.00 0.00 H new ATOM 0 HB2 ASN B 16 3.715 3.023 -7.534 1.00 0.00 H new ATOM 0 HB3 ASN B 16 4.263 1.488 -6.890 1.00 0.00 H new ATOM 0 HD21 ASN B 16 4.429 0.312 -10.197 1.00 0.00 H new ATOM 0 HD22 ASN B 16 5.290 0.740 -8.715 1.00 0.00 H new ATOM 481 N SER B 17 2.440 -0.282 -5.528 1.00 0.00 N ATOM 482 CA SER B 17 2.252 -1.705 -5.312 1.00 0.00 C ATOM 483 C SER B 17 1.063 -1.994 -4.390 1.00 0.00 C ATOM 484 O SER B 17 0.436 -3.047 -4.483 1.00 0.00 O ATOM 485 CB SER B 17 3.535 -2.292 -4.724 1.00 0.00 C ATOM 486 OG SER B 17 4.634 -2.087 -5.600 1.00 0.00 O ATOM 0 H SER B 17 3.113 0.152 -4.896 1.00 0.00 H new ATOM 0 HA SER B 17 2.031 -2.172 -6.272 1.00 0.00 H new ATOM 0 HB2 SER B 17 3.743 -1.829 -3.759 1.00 0.00 H new ATOM 0 HB3 SER B 17 3.402 -3.359 -4.544 1.00 0.00 H new ATOM 0 HG SER B 17 4.969 -1.172 -5.496 1.00 0.00 H new ATOM 492 N MET B 18 0.738 -1.046 -3.524 1.00 0.00 N ATOM 493 CA MET B 18 -0.266 -1.265 -2.484 1.00 0.00 C ATOM 494 C MET B 18 -1.674 -0.973 -2.981 1.00 0.00 C ATOM 495 O MET B 18 -2.611 -1.704 -2.660 1.00 0.00 O ATOM 496 CB MET B 18 0.042 -0.390 -1.264 1.00 0.00 C ATOM 497 CG MET B 18 -1.011 -0.442 -0.160 1.00 0.00 C ATOM 498 SD MET B 18 -0.761 -1.783 1.034 1.00 0.00 S ATOM 499 CE MET B 18 -1.115 -3.241 0.053 1.00 0.00 C ATOM 0 H MET B 18 1.154 -0.115 -3.518 1.00 0.00 H new ATOM 0 HA MET B 18 -0.222 -2.318 -2.205 1.00 0.00 H new ATOM 0 HB2 MET B 18 1.001 -0.696 -0.847 1.00 0.00 H new ATOM 0 HB3 MET B 18 0.153 0.643 -1.593 1.00 0.00 H new ATOM 0 HG2 MET B 18 -1.012 0.509 0.372 1.00 0.00 H new ATOM 0 HG3 MET B 18 -1.995 -0.553 -0.615 1.00 0.00 H new ATOM 0 HE1 MET B 18 -1.484 -4.035 0.702 1.00 0.00 H new ATOM 0 HE2 MET B 18 -1.872 -3.002 -0.694 1.00 0.00 H new ATOM 0 HE3 MET B 18 -0.205 -3.574 -0.446 1.00 0.00 H new ATOM 509 N THR B 19 -1.816 0.084 -3.770 1.00 0.00 N ATOM 510 CA THR B 19 -3.131 0.563 -4.191 1.00 0.00 C ATOM 511 C THR B 19 -4.016 -0.525 -4.820 1.00 0.00 C ATOM 512 O THR B 19 -5.150 -0.708 -4.384 1.00 0.00 O ATOM 513 CB THR B 19 -3.021 1.767 -5.146 1.00 0.00 C ATOM 514 OG1 THR B 19 -1.875 1.633 -5.998 1.00 0.00 O ATOM 515 CG2 THR B 19 -2.924 3.066 -4.362 1.00 0.00 C ATOM 0 H THR B 19 -1.035 0.630 -4.134 1.00 0.00 H new ATOM 0 HA THR B 19 -3.622 0.879 -3.271 1.00 0.00 H new ATOM 0 HB THR B 19 -3.920 1.790 -5.761 1.00 0.00 H new ATOM 0 HG1 THR B 19 -1.119 2.119 -5.608 1.00 0.00 H new ATOM 0 HG21 THR B 19 -2.847 3.904 -5.055 1.00 0.00 H new ATOM 0 HG22 THR B 19 -3.814 3.186 -3.745 1.00 0.00 H new ATOM 0 HG23 THR B 19 -2.041 3.041 -3.724 1.00 0.00 H new ATOM 523 N PRO B 20 -3.532 -1.284 -5.826 1.00 0.00 N ATOM 524 CA PRO B 20 -4.366 -2.273 -6.511 1.00 0.00 C ATOM 525 C PRO B 20 -4.517 -3.576 -5.725 1.00 0.00 C ATOM 526 O PRO B 20 -5.284 -4.459 -6.111 1.00 0.00 O ATOM 527 CB PRO B 20 -3.616 -2.503 -7.815 1.00 0.00 C ATOM 528 CG PRO B 20 -2.184 -2.295 -7.463 1.00 0.00 C ATOM 529 CD PRO B 20 -2.163 -1.249 -6.386 1.00 0.00 C ATOM 0 HA PRO B 20 -5.390 -1.925 -6.644 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -3.788 -3.508 -8.200 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -3.940 -1.806 -8.588 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -1.731 -3.223 -7.113 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -1.613 -1.969 -8.333 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -1.415 -1.474 -5.626 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -1.922 -0.266 -6.789 1.00 0.00 H new ATOM 537 N LEU B 21 -3.800 -3.682 -4.614 1.00 0.00 N ATOM 538 CA LEU B 21 -3.901 -4.856 -3.756 1.00 0.00 C ATOM 539 C LEU B 21 -4.921 -4.618 -2.654 1.00 0.00 C ATOM 540 O LEU B 21 -5.377 -5.556 -2.002 1.00 0.00 O ATOM 541 CB LEU B 21 -2.545 -5.200 -3.139 1.00 0.00 C ATOM 542 CG LEU B 21 -1.460 -5.622 -4.130 1.00 0.00 C ATOM 543 CD1 LEU B 21 -0.186 -6.002 -3.391 1.00 0.00 C ATOM 544 CD2 LEU B 21 -1.943 -6.778 -4.994 1.00 0.00 C ATOM 0 H LEU B 21 -3.144 -2.973 -4.286 1.00 0.00 H new ATOM 0 HA LEU B 21 -4.226 -5.695 -4.371 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -2.188 -4.333 -2.583 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -2.687 -6.005 -2.418 1.00 0.00 H new ATOM 0 HG LEU B 21 -1.242 -4.777 -4.783 1.00 0.00 H new ATOM 0 HD11 LEU B 21 0.577 -6.300 -4.110 1.00 0.00 H new ATOM 0 HD12 LEU B 21 0.171 -5.147 -2.817 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -0.391 -6.832 -2.715 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -1.157 -7.063 -5.693 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -2.190 -7.628 -4.359 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -2.829 -6.471 -5.550 1.00 0.00 H new ATOM 556 N LEU B 22 -5.283 -3.356 -2.465 1.00 0.00 N ATOM 557 CA LEU B 22 -6.244 -2.972 -1.438 1.00 0.00 C ATOM 558 C LEU B 22 -7.654 -3.480 -1.757 1.00 0.00 C ATOM 559 O LEU B 22 -8.315 -4.007 -0.865 1.00 0.00 O ATOM 560 CB LEU B 22 -6.251 -1.452 -1.252 1.00 0.00 C ATOM 561 CG LEU B 22 -4.962 -0.867 -0.672 1.00 0.00 C ATOM 562 CD1 LEU B 22 -4.983 0.648 -0.748 1.00 0.00 C ATOM 563 CD2 LEU B 22 -4.771 -1.322 0.768 1.00 0.00 C ATOM 0 H LEU B 22 -4.923 -2.575 -3.014 1.00 0.00 H new ATOM 0 HA LEU B 22 -5.931 -3.441 -0.505 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -6.443 -0.984 -2.217 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.081 -1.185 -0.597 1.00 0.00 H new ATOM 0 HG LEU B 22 -4.123 -1.231 -1.265 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.058 1.046 -0.331 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -5.075 0.959 -1.789 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -5.831 1.029 -0.179 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -3.849 -0.897 1.165 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -5.615 -0.986 1.371 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -4.712 -2.410 0.801 1.00 0.00 H new ATOM 575 N PRO B 23 -8.142 -3.345 -3.021 1.00 0.00 N ATOM 576 CA PRO B 23 -9.470 -3.840 -3.417 1.00 0.00 C ATOM 577 C PRO B 23 -9.740 -5.258 -2.928 1.00 0.00 C ATOM 578 O PRO B 23 -10.867 -5.596 -2.554 1.00 0.00 O ATOM 579 CB PRO B 23 -9.403 -3.807 -4.942 1.00 0.00 C ATOM 580 CG PRO B 23 -8.490 -2.678 -5.245 1.00 0.00 C ATOM 581 CD PRO B 23 -7.461 -2.689 -4.159 1.00 0.00 C ATOM 0 HA PRO B 23 -10.274 -3.241 -2.989 1.00 0.00 H new ATOM 0 HB2 PRO B 23 -9.022 -4.746 -5.344 1.00 0.00 H new ATOM 0 HB3 PRO B 23 -10.389 -3.650 -5.380 1.00 0.00 H new ATOM 0 HG2 PRO B 23 -8.027 -2.800 -6.224 1.00 0.00 H new ATOM 0 HG3 PRO B 23 -9.030 -1.731 -5.263 1.00 0.00 H new ATOM 0 HD2 PRO B 23 -6.570 -3.239 -4.460 1.00 0.00 H new ATOM 0 HD3 PRO B 23 -7.141 -1.679 -3.903 1.00 0.00 H new ATOM 589 N ASP B 24 -8.689 -6.066 -2.926 1.00 0.00 N ATOM 590 CA ASP B 24 -8.762 -7.443 -2.467 1.00 0.00 C ATOM 591 C ASP B 24 -9.215 -7.511 -1.012 1.00 0.00 C ATOM 592 O ASP B 24 -10.201 -8.170 -0.693 1.00 0.00 O ATOM 593 CB ASP B 24 -7.395 -8.109 -2.632 1.00 0.00 C ATOM 594 CG ASP B 24 -7.365 -9.542 -2.137 1.00 0.00 C ATOM 595 OD1 ASP B 24 -7.959 -10.418 -2.796 1.00 0.00 O ATOM 596 OD2 ASP B 24 -6.723 -9.807 -1.098 1.00 0.00 O1- ATOM 0 H ASP B 24 -7.762 -5.784 -3.243 1.00 0.00 H new ATOM 0 HA ASP B 24 -9.498 -7.975 -3.070 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -7.113 -8.089 -3.685 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -6.648 -7.529 -2.091 1.00 0.00 H new ATOM 601 N LEU B 25 -8.514 -6.798 -0.139 1.00 0.00 N ATOM 602 CA LEU B 25 -8.811 -6.838 1.288 1.00 0.00 C ATOM 603 C LEU B 25 -10.079 -6.057 1.612 1.00 0.00 C ATOM 604 O LEU B 25 -10.821 -6.421 2.526 1.00 0.00 O ATOM 605 CB LEU B 25 -7.646 -6.285 2.120 1.00 0.00 C ATOM 606 CG LEU B 25 -6.351 -7.110 2.111 1.00 0.00 C ATOM 607 CD1 LEU B 25 -6.650 -8.601 2.144 1.00 0.00 C ATOM 608 CD2 LEU B 25 -5.491 -6.758 0.909 1.00 0.00 C ATOM 0 H LEU B 25 -7.738 -6.187 -0.393 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.963 -7.885 1.549 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -7.415 -5.282 1.761 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -7.980 -6.185 3.153 1.00 0.00 H new ATOM 0 HG LEU B 25 -5.791 -6.861 3.013 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -5.714 -9.160 2.137 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -7.209 -8.840 3.049 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -7.242 -8.873 1.270 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -4.580 -7.356 0.926 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -6.044 -6.965 -0.007 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -5.231 -5.700 0.945 1.00 0.00 H new ATOM 620 N ILE B 26 -10.323 -4.986 0.862 1.00 0.00 N ATOM 621 CA ILE B 26 -11.485 -4.138 1.104 1.00 0.00 C ATOM 622 C ILE B 26 -12.780 -4.931 0.975 1.00 0.00 C ATOM 623 O ILE B 26 -13.584 -4.967 1.904 1.00 0.00 O ATOM 624 CB ILE B 26 -11.541 -2.931 0.140 1.00 0.00 C ATOM 625 CG1 ILE B 26 -10.281 -2.070 0.270 1.00 0.00 C ATOM 626 CG2 ILE B 26 -12.785 -2.092 0.411 1.00 0.00 C ATOM 627 CD1 ILE B 26 -10.051 -1.520 1.660 1.00 0.00 C ATOM 0 H ILE B 26 -9.734 -4.686 0.085 1.00 0.00 H new ATOM 0 HA ILE B 26 -11.381 -3.764 2.123 1.00 0.00 H new ATOM 0 HB ILE B 26 -11.591 -3.313 -0.880 1.00 0.00 H new ATOM 0 HG12 ILE B 26 -9.415 -2.665 -0.022 1.00 0.00 H new ATOM 0 HG13 ILE B 26 -10.348 -1.239 -0.432 1.00 0.00 H new ATOM 0 HG21 ILE B 26 -12.810 -1.246 -0.276 1.00 0.00 H new ATOM 0 HG22 ILE B 26 -13.675 -2.704 0.266 1.00 0.00 H new ATOM 0 HG23 ILE B 26 -12.760 -1.726 1.437 1.00 0.00 H new ATOM 0 HD11 ILE B 26 -9.140 -0.922 1.668 1.00 0.00 H new ATOM 0 HD12 ILE B 26 -10.897 -0.896 1.949 1.00 0.00 H new ATOM 0 HD13 ILE B 26 -9.950 -2.345 2.366 1.00 0.00 H new ATOM 639 N CYS B 27 -12.969 -5.583 -0.169 1.00 0.00 N ATOM 640 CA CYS B 27 -14.199 -6.325 -0.418 1.00 0.00 C ATOM 641 C CYS B 27 -14.373 -7.427 0.614 1.00 0.00 C ATOM 642 O CYS B 27 -15.465 -7.630 1.141 1.00 0.00 O ATOM 643 CB CYS B 27 -14.202 -6.935 -1.817 1.00 0.00 C ATOM 644 SG CYS B 27 -15.806 -7.662 -2.293 1.00 0.00 S ATOM 0 H CYS B 27 -12.292 -5.612 -0.931 1.00 0.00 H new ATOM 0 HA CYS B 27 -15.029 -5.622 -0.342 1.00 0.00 H new ATOM 0 HB2 CYS B 27 -13.932 -6.166 -2.540 1.00 0.00 H new ATOM 0 HB3 CYS B 27 -13.433 -7.706 -1.870 1.00 0.00 H new ATOM 649 N LYS B 28 -13.279 -8.119 0.917 1.00 0.00 N ATOM 650 CA LYS B 28 -13.304 -9.203 1.887 1.00 0.00 C ATOM 651 C LYS B 28 -13.769 -8.695 3.247 1.00 0.00 C ATOM 652 O LYS B 28 -14.471 -9.392 3.971 1.00 0.00 O ATOM 653 CB LYS B 28 -11.922 -9.838 2.018 1.00 0.00 C ATOM 654 CG LYS B 28 -11.447 -10.519 0.750 1.00 0.00 C ATOM 655 CD LYS B 28 -10.016 -11.003 0.885 1.00 0.00 C ATOM 656 CE LYS B 28 -9.538 -11.682 -0.386 1.00 0.00 C ATOM 657 NZ LYS B 28 -8.100 -12.054 -0.311 1.00 0.00 N1+ ATOM 0 H LYS B 28 -12.363 -7.946 0.502 1.00 0.00 H new ATOM 0 HA LYS B 28 -14.007 -9.957 1.533 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -11.203 -9.069 2.299 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -11.941 -10.568 2.828 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -12.098 -11.363 0.523 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -11.521 -9.825 -0.087 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -9.365 -10.159 1.115 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -9.943 -11.699 1.721 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -10.135 -12.576 -0.566 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -9.697 -11.016 -1.234 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -7.847 -12.632 -1.138 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -7.518 -11.192 -0.301 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -7.927 -12.598 0.558 1.00 0.00 H new ATOM 671 N GLY B 29 -13.389 -7.463 3.571 1.00 0.00 N ATOM 672 CA GLY B 29 -13.764 -6.871 4.841 1.00 0.00 C ATOM 673 C GLY B 29 -15.265 -6.733 4.998 1.00 0.00 C ATOM 674 O GLY B 29 -15.788 -6.846 6.106 1.00 0.00 O ATOM 0 H GLY B 29 -12.824 -6.861 2.972 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -13.372 -7.483 5.653 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -13.301 -5.888 4.931 1.00 0.00 H new ATOM 678 N PHE B 30 -15.960 -6.503 3.891 1.00 0.00 N ATOM 679 CA PHE B 30 -17.411 -6.359 3.917 1.00 0.00 C ATOM 680 C PHE B 30 -18.094 -7.720 3.892 1.00 0.00 C ATOM 681 O PHE B 30 -19.296 -7.827 4.113 1.00 0.00 O ATOM 682 CB PHE B 30 -17.895 -5.510 2.738 1.00 0.00 C ATOM 683 CG PHE B 30 -17.457 -4.075 2.811 1.00 0.00 C ATOM 684 CD1 PHE B 30 -18.160 -3.164 3.581 1.00 0.00 C ATOM 685 CD2 PHE B 30 -16.345 -3.639 2.114 1.00 0.00 C ATOM 686 CE1 PHE B 30 -17.760 -1.844 3.654 1.00 0.00 C ATOM 687 CE2 PHE B 30 -15.941 -2.320 2.182 1.00 0.00 C ATOM 688 CZ PHE B 30 -16.649 -1.422 2.954 1.00 0.00 C ATOM 0 H PHE B 30 -15.543 -6.412 2.964 1.00 0.00 H new ATOM 0 HA PHE B 30 -17.677 -5.853 4.845 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -17.526 -5.947 1.810 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -18.984 -5.547 2.697 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -19.031 -3.489 4.131 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -15.786 -4.338 1.510 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -18.317 -1.143 4.258 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -15.072 -1.992 1.631 1.00 0.00 H new ATOM 0 HZ PHE B 30 -16.334 -0.391 3.010 1.00 0.00 H new ATOM 698 N ILE B 31 -17.323 -8.755 3.614 1.00 0.00 N ATOM 699 CA ILE B 31 -17.850 -10.108 3.582 1.00 0.00 C ATOM 700 C ILE B 31 -17.590 -10.814 4.907 1.00 0.00 C ATOM 701 O ILE B 31 -18.481 -11.447 5.475 1.00 0.00 O ATOM 702 CB ILE B 31 -17.214 -10.926 2.442 1.00 0.00 C ATOM 703 CG1 ILE B 31 -17.391 -10.197 1.109 1.00 0.00 C ATOM 704 CG2 ILE B 31 -17.831 -12.315 2.375 1.00 0.00 C ATOM 705 CD1 ILE B 31 -16.697 -10.873 -0.053 1.00 0.00 C ATOM 0 H ILE B 31 -16.327 -8.685 3.406 1.00 0.00 H new ATOM 0 HA ILE B 31 -18.924 -10.037 3.410 1.00 0.00 H new ATOM 0 HB ILE B 31 -16.148 -11.034 2.642 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -18.455 -10.117 0.888 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -17.009 -9.181 1.207 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -17.370 -12.879 1.564 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -17.663 -12.834 3.319 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -18.902 -12.229 2.194 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -16.868 -10.298 -0.963 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -15.627 -10.929 0.145 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -17.096 -11.879 -0.179 1.00 0.00 H new ATOM 717 N GLN B 32 -16.362 -10.687 5.392 1.00 0.00 N ATOM 718 CA GLN B 32 -15.940 -11.337 6.624 1.00 0.00 C ATOM 719 C GLN B 32 -16.678 -10.770 7.830 1.00 0.00 C ATOM 720 O GLN B 32 -17.090 -11.513 8.722 1.00 0.00 O ATOM 721 CB GLN B 32 -14.433 -11.168 6.814 1.00 0.00 C ATOM 722 CG GLN B 32 -13.602 -11.863 5.749 1.00 0.00 C ATOM 723 CD GLN B 32 -12.111 -11.749 6.005 1.00 0.00 C ATOM 724 OE1 GLN B 32 -11.458 -10.811 5.546 1.00 0.00 O ATOM 725 NE2 GLN B 32 -11.563 -12.697 6.750 1.00 0.00 N ATOM 0 H GLN B 32 -15.633 -10.132 4.944 1.00 0.00 H new ATOM 0 HA GLN B 32 -16.181 -12.397 6.545 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -14.193 -10.105 6.814 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -14.153 -11.558 7.793 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -13.880 -12.916 5.706 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -13.833 -11.433 4.775 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -12.138 -13.458 7.112 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -10.566 -12.666 6.962 1.00 0.00 H new ATOM 734 N ASP B 33 -16.858 -9.458 7.841 1.00 0.00 N ATOM 735 CA ASP B 33 -17.521 -8.789 8.955 1.00 0.00 C ATOM 736 C ASP B 33 -19.026 -9.027 8.897 1.00 0.00 C ATOM 737 O ASP B 33 -19.673 -8.699 7.903 1.00 0.00 O ATOM 738 CB ASP B 33 -17.239 -7.289 8.925 1.00 0.00 C ATOM 739 CG ASP B 33 -17.724 -6.590 10.176 1.00 0.00 C ATOM 740 OD1 ASP B 33 -18.845 -6.053 10.162 1.00 0.00 O ATOM 741 OD2 ASP B 33 -16.981 -6.574 11.182 1.00 0.00 O1- ATOM 0 H ASP B 33 -16.555 -8.834 7.093 1.00 0.00 H new ATOM 0 HA ASP B 33 -17.128 -9.205 9.883 1.00 0.00 H new ATOM 0 HB2 ASP B 33 -16.167 -7.125 8.812 1.00 0.00 H new ATOM 0 HB3 ASP B 33 -17.723 -6.848 8.054 1.00 0.00 H new ATOM 746 N PRO B 34 -19.602 -9.604 9.968 1.00 0.00 N ATOM 747 CA PRO B 34 -21.027 -9.951 10.013 1.00 0.00 C ATOM 748 C PRO B 34 -21.930 -8.730 9.899 1.00 0.00 C ATOM 749 O PRO B 34 -23.030 -8.814 9.363 1.00 0.00 O ATOM 750 CB PRO B 34 -21.213 -10.611 11.384 1.00 0.00 C ATOM 751 CG PRO B 34 -19.841 -10.953 11.856 1.00 0.00 C ATOM 752 CD PRO B 34 -18.909 -9.966 11.216 1.00 0.00 C ATOM 0 HA PRO B 34 -21.299 -10.595 9.177 1.00 0.00 H new ATOM 0 HB2 PRO B 34 -21.709 -9.935 12.080 1.00 0.00 H new ATOM 0 HB3 PRO B 34 -21.835 -11.503 11.308 1.00 0.00 H new ATOM 0 HG2 PRO B 34 -19.780 -10.895 12.943 1.00 0.00 H new ATOM 0 HG3 PRO B 34 -19.578 -11.973 11.575 1.00 0.00 H new ATOM 0 HD2 PRO B 34 -18.746 -9.096 11.852 1.00 0.00 H new ATOM 0 HD3 PRO B 34 -17.931 -10.405 11.020 1.00 0.00 H new ATOM 760 N ASP B 35 -21.457 -7.598 10.406 1.00 0.00 N ATOM 761 CA ASP B 35 -22.222 -6.358 10.350 1.00 0.00 C ATOM 762 C ASP B 35 -22.233 -5.802 8.937 1.00 0.00 C ATOM 763 O ASP B 35 -23.240 -5.274 8.471 1.00 0.00 O ATOM 764 CB ASP B 35 -21.641 -5.304 11.295 1.00 0.00 C ATOM 765 CG ASP B 35 -21.853 -5.629 12.757 1.00 0.00 C ATOM 766 OD1 ASP B 35 -22.853 -5.156 13.333 1.00 0.00 O ATOM 767 OD2 ASP B 35 -21.012 -6.341 13.342 1.00 0.00 O1- ATOM 0 H ASP B 35 -20.548 -7.513 10.860 1.00 0.00 H new ATOM 0 HA ASP B 35 -23.240 -6.590 10.662 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -20.573 -5.204 11.103 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -22.096 -4.338 11.075 1.00 0.00 H new ATOM 772 N LEU B 36 -21.107 -5.927 8.258 1.00 0.00 N ATOM 773 CA LEU B 36 -20.960 -5.374 6.921 1.00 0.00 C ATOM 774 C LEU B 36 -21.562 -6.290 5.870 1.00 0.00 C ATOM 775 O LEU B 36 -22.053 -5.819 4.839 1.00 0.00 O ATOM 776 CB LEU B 36 -19.488 -5.117 6.600 1.00 0.00 C ATOM 777 CG LEU B 36 -18.787 -4.092 7.492 1.00 0.00 C ATOM 778 CD1 LEU B 36 -17.352 -3.887 7.037 1.00 0.00 C ATOM 779 CD2 LEU B 36 -19.540 -2.769 7.491 1.00 0.00 C ATOM 0 H LEU B 36 -20.279 -6.407 8.610 1.00 0.00 H new ATOM 0 HA LEU B 36 -21.500 -4.428 6.901 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -18.949 -6.062 6.670 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -19.413 -4.783 5.565 1.00 0.00 H new ATOM 0 HG LEU B 36 -18.777 -4.477 8.512 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -16.867 -3.155 7.682 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -16.814 -4.833 7.093 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -17.344 -3.526 6.009 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -19.023 -2.055 8.132 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -19.586 -2.377 6.475 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -20.552 -2.926 7.865 1.00 0.00 H new ATOM 791 N LYS B 37 -21.537 -7.593 6.130 1.00 0.00 N ATOM 792 CA LYS B 37 -22.095 -8.562 5.197 1.00 0.00 C ATOM 793 C LYS B 37 -23.583 -8.302 5.001 1.00 0.00 C ATOM 794 O LYS B 37 -24.151 -8.620 3.957 1.00 0.00 O ATOM 795 CB LYS B 37 -21.854 -9.995 5.690 1.00 0.00 C ATOM 796 CG LYS B 37 -22.329 -11.069 4.719 1.00 0.00 C ATOM 797 CD LYS B 37 -21.619 -10.972 3.375 1.00 0.00 C ATOM 798 CE LYS B 37 -22.164 -11.984 2.379 1.00 0.00 C ATOM 799 NZ LYS B 37 -21.989 -13.382 2.851 1.00 0.00 N1+ ATOM 0 H LYS B 37 -21.138 -8.000 6.976 1.00 0.00 H new ATOM 0 HA LYS B 37 -21.592 -8.449 4.237 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -20.788 -10.131 5.874 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -22.363 -10.131 6.644 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -22.154 -12.054 5.152 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -23.404 -10.974 4.569 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -21.736 -9.966 2.973 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -20.551 -11.137 3.515 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -23.223 -11.789 2.208 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -21.658 -11.859 1.422 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -22.232 -14.040 2.083 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -21.000 -13.531 3.135 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -22.613 -13.554 3.665 1.00 0.00 H new ATOM 813 N LYS B 38 -24.198 -7.697 6.010 1.00 0.00 N ATOM 814 CA LYS B 38 -25.595 -7.297 5.937 1.00 0.00 C ATOM 815 C LYS B 38 -25.812 -6.355 4.758 1.00 0.00 C ATOM 816 O LYS B 38 -26.706 -6.561 3.937 1.00 0.00 O ATOM 817 CB LYS B 38 -26.006 -6.598 7.234 1.00 0.00 C ATOM 818 CG LYS B 38 -25.698 -7.402 8.485 1.00 0.00 C ATOM 819 CD LYS B 38 -26.366 -8.768 8.456 1.00 0.00 C ATOM 820 CE LYS B 38 -26.064 -9.565 9.716 1.00 0.00 C ATOM 821 NZ LYS B 38 -26.678 -10.918 9.680 1.00 0.00 N1+ ATOM 0 H LYS B 38 -23.745 -7.472 6.896 1.00 0.00 H new ATOM 0 HA LYS B 38 -26.207 -8.188 5.798 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -25.496 -5.637 7.296 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -27.075 -6.390 7.201 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -24.619 -7.527 8.581 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -26.035 -6.851 9.363 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -27.444 -8.645 8.352 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -26.023 -9.323 7.583 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -24.985 -9.660 9.835 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -26.434 -9.022 10.586 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -26.448 -11.427 10.557 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -27.710 -10.828 9.593 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -26.306 -11.446 8.865 1.00 0.00 H new ATOM 835 N ARG B 39 -24.958 -5.341 4.666 1.00 0.00 N ATOM 836 CA ARG B 39 -25.062 -4.338 3.618 1.00 0.00 C ATOM 837 C ARG B 39 -24.643 -4.940 2.286 1.00 0.00 C ATOM 838 O ARG B 39 -25.254 -4.685 1.250 1.00 0.00 O ATOM 839 CB ARG B 39 -24.168 -3.139 3.945 1.00 0.00 C ATOM 840 CG ARG B 39 -24.356 -1.963 3.004 1.00 0.00 C ATOM 841 CD ARG B 39 -25.651 -1.222 3.289 1.00 0.00 C ATOM 842 NE ARG B 39 -25.604 -0.532 4.578 1.00 0.00 N ATOM 843 CZ ARG B 39 -26.569 0.260 5.038 1.00 0.00 C ATOM 844 NH1 ARG B 39 -27.689 0.423 4.343 1.00 0.00 N1+ ATOM 845 NH2 ARG B 39 -26.414 0.885 6.198 1.00 0.00 N ATOM 0 H ARG B 39 -24.182 -5.194 5.311 1.00 0.00 H new ATOM 0 HA ARG B 39 -26.097 -4.002 3.553 1.00 0.00 H new ATOM 0 HB2 ARG B 39 -24.371 -2.813 4.965 1.00 0.00 H new ATOM 0 HB3 ARG B 39 -23.125 -3.455 3.913 1.00 0.00 H new ATOM 0 HG2 ARG B 39 -23.514 -1.278 3.104 1.00 0.00 H new ATOM 0 HG3 ARG B 39 -24.358 -2.317 1.973 1.00 0.00 H new ATOM 0 HD2 ARG B 39 -25.839 -0.499 2.495 1.00 0.00 H new ATOM 0 HD3 ARG B 39 -26.483 -1.926 3.283 1.00 0.00 H new ATOM 0 HE ARG B 39 -24.778 -0.667 5.162 1.00 0.00 H new ATOM 0 HH11 ARG B 39 -27.812 -0.060 3.453 1.00 0.00 H new ATOM 0 HH12 ARG B 39 -28.426 1.031 4.699 1.00 0.00 H new ATOM 0 HH21 ARG B 39 -25.556 0.758 6.735 1.00 0.00 H new ATOM 0 HH22 ARG B 39 -27.153 1.493 6.553 1.00 0.00 H new ATOM 859 N PHE B 40 -23.599 -5.754 2.341 1.00 0.00 N ATOM 860 CA PHE B 40 -23.062 -6.430 1.167 1.00 0.00 C ATOM 861 C PHE B 40 -24.149 -7.261 0.486 1.00 0.00 C ATOM 862 O PHE B 40 -24.267 -7.276 -0.742 1.00 0.00 O ATOM 863 CB PHE B 40 -21.899 -7.320 1.602 1.00 0.00 C ATOM 864 CG PHE B 40 -21.026 -7.793 0.477 1.00 0.00 C ATOM 865 CD1 PHE B 40 -20.138 -6.924 -0.137 1.00 0.00 C ATOM 866 CD2 PHE B 40 -21.080 -9.107 0.044 1.00 0.00 C ATOM 867 CE1 PHE B 40 -19.321 -7.359 -1.163 1.00 0.00 C ATOM 868 CE2 PHE B 40 -20.266 -9.547 -0.981 1.00 0.00 C ATOM 869 CZ PHE B 40 -19.386 -8.672 -1.586 1.00 0.00 C ATOM 0 H PHE B 40 -23.098 -5.966 3.204 1.00 0.00 H new ATOM 0 HA PHE B 40 -22.707 -5.692 0.448 1.00 0.00 H new ATOM 0 HB2 PHE B 40 -21.285 -6.771 2.316 1.00 0.00 H new ATOM 0 HB3 PHE B 40 -22.298 -8.189 2.126 1.00 0.00 H new ATOM 0 HD1 PHE B 40 -20.084 -5.896 0.190 1.00 0.00 H new ATOM 0 HD2 PHE B 40 -21.767 -9.796 0.513 1.00 0.00 H new ATOM 0 HE1 PHE B 40 -18.632 -6.673 -1.634 1.00 0.00 H new ATOM 0 HE2 PHE B 40 -20.318 -10.575 -1.309 1.00 0.00 H new ATOM 0 HZ PHE B 40 -18.749 -9.014 -2.389 1.00 0.00 H new ATOM 879 N ASP B 41 -24.953 -7.932 1.302 1.00 0.00 N ATOM 880 CA ASP B 41 -26.060 -8.741 0.805 1.00 0.00 C ATOM 881 C ASP B 41 -27.198 -7.863 0.293 1.00 0.00 C ATOM 882 O ASP B 41 -27.793 -8.148 -0.745 1.00 0.00 O ATOM 883 CB ASP B 41 -26.572 -9.666 1.908 1.00 0.00 C ATOM 884 CG ASP B 41 -27.850 -10.381 1.518 1.00 0.00 C ATOM 885 OD1 ASP B 41 -27.783 -11.368 0.759 1.00 0.00 O ATOM 886 OD2 ASP B 41 -28.932 -9.962 1.981 1.00 0.00 O1- ATOM 0 H ASP B 41 -24.858 -7.932 2.318 1.00 0.00 H new ATOM 0 HA ASP B 41 -25.692 -9.341 -0.027 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -25.805 -10.403 2.145 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -26.746 -9.085 2.814 1.00 0.00 H new ATOM 891 N GLU B 42 -27.484 -6.788 1.022 1.00 0.00 N ATOM 892 CA GLU B 42 -28.551 -5.858 0.656 1.00 0.00 C ATOM 893 C GLU B 42 -28.346 -5.273 -0.734 1.00 0.00 C ATOM 894 O GLU B 42 -29.310 -4.998 -1.450 1.00 0.00 O ATOM 895 CB GLU B 42 -28.626 -4.717 1.669 1.00 0.00 C ATOM 896 CG GLU B 42 -29.306 -5.102 2.968 1.00 0.00 C ATOM 897 CD GLU B 42 -30.773 -5.414 2.768 1.00 0.00 C ATOM 898 OE1 GLU B 42 -31.519 -4.511 2.337 1.00 0.00 O ATOM 899 OE2 GLU B 42 -31.189 -6.558 3.042 1.00 0.00 O1- ATOM 0 H GLU B 42 -26.988 -6.537 1.877 1.00 0.00 H new ATOM 0 HA GLU B 42 -29.483 -6.424 0.656 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -27.616 -4.369 1.887 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -29.163 -3.880 1.222 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -28.805 -5.971 3.396 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -29.203 -4.289 3.686 1.00 0.00 H new ATOM 906 N ILE B 43 -27.093 -5.084 -1.110 1.00 0.00 N ATOM 907 CA ILE B 43 -26.770 -4.452 -2.379 1.00 0.00 C ATOM 908 C ILE B 43 -26.544 -5.503 -3.473 1.00 0.00 C ATOM 909 O ILE B 43 -26.375 -5.178 -4.650 1.00 0.00 O ATOM 910 CB ILE B 43 -25.525 -3.542 -2.230 1.00 0.00 C ATOM 911 CG1 ILE B 43 -25.692 -2.621 -1.017 1.00 0.00 C ATOM 912 CG2 ILE B 43 -25.289 -2.709 -3.483 1.00 0.00 C ATOM 913 CD1 ILE B 43 -26.939 -1.760 -1.063 1.00 0.00 C ATOM 0 H ILE B 43 -26.282 -5.359 -0.555 1.00 0.00 H new ATOM 0 HA ILE B 43 -27.617 -3.833 -2.676 1.00 0.00 H new ATOM 0 HB ILE B 43 -24.657 -4.185 -2.084 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -25.716 -3.229 -0.113 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -24.818 -1.973 -0.943 1.00 0.00 H new ATOM 0 HG21 ILE B 43 -24.408 -2.083 -3.343 1.00 0.00 H new ATOM 0 HG22 ILE B 43 -25.133 -3.370 -4.335 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -26.157 -2.077 -3.669 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -26.984 -1.137 -0.170 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -26.910 -1.124 -1.948 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -27.821 -2.399 -1.105 1.00 0.00 H new ATOM 925 N LYS B 44 -26.583 -6.775 -3.061 1.00 0.00 N ATOM 926 CA LYS B 44 -26.374 -7.908 -3.964 1.00 0.00 C ATOM 927 C LYS B 44 -25.020 -7.803 -4.653 1.00 0.00 C ATOM 928 O LYS B 44 -24.895 -8.041 -5.855 1.00 0.00 O ATOM 929 CB LYS B 44 -27.490 -7.987 -5.015 1.00 0.00 C ATOM 930 CG LYS B 44 -28.876 -8.248 -4.443 1.00 0.00 C ATOM 931 CD LYS B 44 -28.961 -9.586 -3.724 1.00 0.00 C ATOM 932 CE LYS B 44 -28.619 -10.755 -4.638 1.00 0.00 C ATOM 933 NZ LYS B 44 -29.514 -10.831 -5.826 1.00 0.00 N1+ ATOM 0 H LYS B 44 -26.760 -7.046 -2.094 1.00 0.00 H new ATOM 0 HA LYS B 44 -26.396 -8.819 -3.365 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -27.512 -7.052 -5.575 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -27.248 -8.778 -5.725 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -29.137 -7.448 -3.750 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -29.610 -8.224 -5.249 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -28.281 -9.582 -2.872 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -29.967 -9.720 -3.328 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -27.585 -10.661 -4.971 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -28.689 -11.685 -4.074 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -29.319 -11.707 -6.352 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -30.506 -10.828 -5.514 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -29.343 -10.011 -6.443 1.00 0.00 H new ATOM 947 N MET B 45 -24.007 -7.451 -3.882 1.00 0.00 N ATOM 948 CA MET B 45 -22.688 -7.197 -4.433 1.00 0.00 C ATOM 949 C MET B 45 -21.812 -8.440 -4.349 1.00 0.00 C ATOM 950 O MET B 45 -21.995 -9.278 -3.467 1.00 0.00 O ATOM 951 CB MET B 45 -22.039 -6.030 -3.690 1.00 0.00 C ATOM 952 CG MET B 45 -20.670 -5.652 -4.221 1.00 0.00 C ATOM 953 SD MET B 45 -20.019 -4.170 -3.440 1.00 0.00 S ATOM 954 CE MET B 45 -21.228 -2.959 -3.958 1.00 0.00 C ATOM 0 H MET B 45 -24.073 -7.334 -2.871 1.00 0.00 H new ATOM 0 HA MET B 45 -22.793 -6.937 -5.486 1.00 0.00 H new ATOM 0 HB2 MET B 45 -22.695 -5.162 -3.752 1.00 0.00 H new ATOM 0 HB3 MET B 45 -21.951 -6.287 -2.635 1.00 0.00 H new ATOM 0 HG2 MET B 45 -19.979 -6.479 -4.058 1.00 0.00 H new ATOM 0 HG3 MET B 45 -20.731 -5.495 -5.298 1.00 0.00 H new ATOM 0 HE1 MET B 45 -20.822 -1.957 -3.820 1.00 0.00 H new ATOM 0 HE2 MET B 45 -21.468 -3.111 -5.010 1.00 0.00 H new ATOM 0 HE3 MET B 45 -22.133 -3.069 -3.360 1.00 0.00 H new ATOM 964 N THR B 46 -20.897 -8.574 -5.298 1.00 0.00 N ATOM 965 CA THR B 46 -19.948 -9.672 -5.304 1.00 0.00 C ATOM 966 C THR B 46 -18.514 -9.150 -5.280 1.00 0.00 C ATOM 967 O THR B 46 -18.282 -7.981 -5.596 1.00 0.00 O ATOM 968 CB THR B 46 -20.151 -10.570 -6.537 1.00 0.00 C ATOM 969 OG1 THR B 46 -20.169 -9.771 -7.728 1.00 0.00 O ATOM 970 CG2 THR B 46 -21.449 -11.356 -6.431 1.00 0.00 C ATOM 0 H THR B 46 -20.794 -7.928 -6.080 1.00 0.00 H new ATOM 0 HA THR B 46 -20.125 -10.264 -4.406 1.00 0.00 H new ATOM 0 HB THR B 46 -19.321 -11.275 -6.583 1.00 0.00 H new ATOM 0 HG1 THR B 46 -20.297 -10.350 -8.508 1.00 0.00 H new ATOM 0 HG21 THR B 46 -21.568 -11.982 -7.315 1.00 0.00 H new ATOM 0 HG22 THR B 46 -21.422 -11.985 -5.541 1.00 0.00 H new ATOM 0 HG23 THR B 46 -22.288 -10.664 -6.361 1.00 0.00 H new ATOM 978 N TYR B 47 -17.561 -10.006 -4.923 1.00 0.00 N ATOM 979 CA TYR B 47 -16.156 -9.601 -4.808 1.00 0.00 C ATOM 980 C TYR B 47 -15.657 -8.910 -6.080 1.00 0.00 C ATOM 981 O TYR B 47 -15.048 -7.835 -6.015 1.00 0.00 O ATOM 982 CB TYR B 47 -15.278 -10.820 -4.485 1.00 0.00 C ATOM 983 CG TYR B 47 -13.794 -10.519 -4.480 1.00 0.00 C ATOM 984 CD1 TYR B 47 -13.148 -10.079 -3.328 1.00 0.00 C ATOM 985 CD2 TYR B 47 -13.042 -10.665 -5.639 1.00 0.00 C ATOM 986 CE1 TYR B 47 -11.796 -9.790 -3.339 1.00 0.00 C ATOM 987 CE2 TYR B 47 -11.694 -10.384 -5.655 1.00 0.00 C ATOM 988 CZ TYR B 47 -11.075 -9.946 -4.507 1.00 0.00 C ATOM 989 OH TYR B 47 -9.733 -9.652 -4.533 1.00 0.00 O ATOM 0 H TYR B 47 -17.733 -10.988 -4.707 1.00 0.00 H new ATOM 0 HA TYR B 47 -16.085 -8.880 -3.993 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -15.563 -11.213 -3.509 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -15.478 -11.604 -5.215 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -13.710 -9.962 -2.413 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -13.523 -11.005 -6.544 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -11.307 -9.445 -2.440 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -11.125 -10.507 -6.565 1.00 0.00 H new ATOM 0 HH TYR B 47 -9.290 -10.077 -3.769 1.00 0.00 H new ATOM 999 N GLU B 48 -15.932 -9.520 -7.229 1.00 0.00 N ATOM 1000 CA GLU B 48 -15.464 -8.999 -8.512 1.00 0.00 C ATOM 1001 C GLU B 48 -16.018 -7.603 -8.784 1.00 0.00 C ATOM 1002 O GLU B 48 -15.372 -6.786 -9.439 1.00 0.00 O ATOM 1003 CB GLU B 48 -15.860 -9.944 -9.646 1.00 0.00 C ATOM 1004 CG GLU B 48 -15.271 -11.336 -9.506 1.00 0.00 C ATOM 1005 CD GLU B 48 -15.720 -12.268 -10.609 1.00 0.00 C ATOM 1006 OE1 GLU B 48 -14.877 -12.666 -11.438 1.00 0.00 O ATOM 1007 OE2 GLU B 48 -16.921 -12.608 -10.653 1.00 0.00 O1- ATOM 0 H GLU B 48 -16.478 -10.379 -7.299 1.00 0.00 H new ATOM 0 HA GLU B 48 -14.377 -8.930 -8.463 1.00 0.00 H new ATOM 0 HB2 GLU B 48 -16.947 -10.020 -9.683 1.00 0.00 H new ATOM 0 HB3 GLU B 48 -15.538 -9.515 -10.595 1.00 0.00 H new ATOM 0 HG2 GLU B 48 -14.183 -11.269 -9.512 1.00 0.00 H new ATOM 0 HG3 GLU B 48 -15.560 -11.754 -8.542 1.00 0.00 H new ATOM 1014 N GLN B 49 -17.208 -7.334 -8.267 1.00 0.00 N ATOM 1015 CA GLN B 49 -17.837 -6.035 -8.438 1.00 0.00 C ATOM 1016 C GLN B 49 -17.117 -4.982 -7.603 1.00 0.00 C ATOM 1017 O GLN B 49 -16.890 -3.867 -8.052 1.00 0.00 O ATOM 1018 CB GLN B 49 -19.311 -6.105 -8.037 1.00 0.00 C ATOM 1019 CG GLN B 49 -20.070 -4.803 -8.242 1.00 0.00 C ATOM 1020 CD GLN B 49 -20.213 -4.429 -9.705 1.00 0.00 C ATOM 1021 OE1 GLN B 49 -19.391 -3.701 -10.259 1.00 0.00 O ATOM 1022 NE2 GLN B 49 -21.256 -4.936 -10.341 1.00 0.00 N ATOM 0 H GLN B 49 -17.757 -8.001 -7.725 1.00 0.00 H new ATOM 0 HA GLN B 49 -17.770 -5.753 -9.489 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -19.797 -6.892 -8.614 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -19.378 -6.392 -6.987 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -21.061 -4.891 -7.796 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -19.554 -4.000 -7.715 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -21.914 -5.536 -9.844 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -21.402 -4.727 -11.329 1.00 0.00 H new ATOM 1031 N CYS B 50 -16.745 -5.350 -6.387 1.00 0.00 N ATOM 1032 CA CYS B 50 -16.078 -4.428 -5.476 1.00 0.00 C ATOM 1033 C CYS B 50 -14.771 -3.909 -6.067 1.00 0.00 C ATOM 1034 O CYS B 50 -14.536 -2.703 -6.111 1.00 0.00 O ATOM 1035 CB CYS B 50 -15.756 -5.114 -4.154 1.00 0.00 C ATOM 1036 SG CYS B 50 -17.101 -6.123 -3.453 1.00 0.00 S ATOM 0 H CYS B 50 -16.894 -6.284 -6.005 1.00 0.00 H new ATOM 0 HA CYS B 50 -16.763 -3.596 -5.314 1.00 0.00 H new ATOM 0 HB2 CYS B 50 -14.883 -5.751 -4.297 1.00 0.00 H new ATOM 0 HB3 CYS B 50 -15.479 -4.352 -3.426 1.00 0.00 H new ATOM 1041 N VAL B 51 -13.930 -4.826 -6.539 1.00 0.00 N ATOM 1042 CA VAL B 51 -12.561 -4.486 -6.923 1.00 0.00 C ATOM 1043 C VAL B 51 -12.481 -3.552 -8.126 1.00 0.00 C ATOM 1044 O VAL B 51 -11.421 -2.994 -8.397 1.00 0.00 O ATOM 1045 CB VAL B 51 -11.703 -5.739 -7.201 1.00 0.00 C ATOM 1046 CG1 VAL B 51 -11.413 -6.481 -5.907 1.00 0.00 C ATOM 1047 CG2 VAL B 51 -12.380 -6.655 -8.207 1.00 0.00 C ATOM 0 H VAL B 51 -14.171 -5.809 -6.665 1.00 0.00 H new ATOM 0 HA VAL B 51 -12.159 -3.957 -6.059 1.00 0.00 H new ATOM 0 HB VAL B 51 -10.757 -5.413 -7.633 1.00 0.00 H new ATOM 0 HG11 VAL B 51 -10.807 -7.362 -6.120 1.00 0.00 H new ATOM 0 HG12 VAL B 51 -10.872 -5.825 -5.225 1.00 0.00 H new ATOM 0 HG13 VAL B 51 -12.351 -6.789 -5.446 1.00 0.00 H new ATOM 0 HG21 VAL B 51 -11.753 -7.529 -8.383 1.00 0.00 H new ATOM 0 HG22 VAL B 51 -13.346 -6.975 -7.816 1.00 0.00 H new ATOM 0 HG23 VAL B 51 -12.528 -6.119 -9.145 1.00 0.00 H new ATOM 1057 N THR B 52 -13.578 -3.376 -8.848 1.00 0.00 N ATOM 1058 CA THR B 52 -13.585 -2.447 -9.967 1.00 0.00 C ATOM 1059 C THR B 52 -14.031 -1.057 -9.504 1.00 0.00 C ATOM 1060 O THR B 52 -13.850 -0.061 -10.209 1.00 0.00 O ATOM 1061 CB THR B 52 -14.472 -2.955 -11.133 1.00 0.00 C ATOM 1062 OG1 THR B 52 -14.370 -2.082 -12.266 1.00 0.00 O ATOM 1063 CG2 THR B 52 -15.929 -3.074 -10.726 1.00 0.00 C ATOM 0 H THR B 52 -14.462 -3.857 -8.682 1.00 0.00 H new ATOM 0 HA THR B 52 -12.566 -2.377 -10.347 1.00 0.00 H new ATOM 0 HB THR B 52 -14.106 -3.947 -11.399 1.00 0.00 H new ATOM 0 HG1 THR B 52 -14.191 -1.168 -11.960 1.00 0.00 H new ATOM 0 HG21 THR B 52 -16.515 -3.433 -11.572 1.00 0.00 H new ATOM 0 HG22 THR B 52 -16.019 -3.777 -9.898 1.00 0.00 H new ATOM 0 HG23 THR B 52 -16.301 -2.098 -10.415 1.00 0.00 H new ATOM 1071 N LEU B 53 -14.590 -0.994 -8.297 1.00 0.00 N ATOM 1072 CA LEU B 53 -15.103 0.258 -7.750 1.00 0.00 C ATOM 1073 C LEU B 53 -14.115 0.861 -6.750 1.00 0.00 C ATOM 1074 O LEU B 53 -14.232 2.026 -6.362 1.00 0.00 O ATOM 1075 CB LEU B 53 -16.441 0.015 -7.055 1.00 0.00 C ATOM 1076 CG LEU B 53 -17.390 -0.922 -7.800 1.00 0.00 C ATOM 1077 CD1 LEU B 53 -18.663 -1.149 -7.004 1.00 0.00 C ATOM 1078 CD2 LEU B 53 -17.718 -0.386 -9.182 1.00 0.00 C ATOM 0 H LEU B 53 -14.699 -1.798 -7.679 1.00 0.00 H new ATOM 0 HA LEU B 53 -15.239 0.958 -8.575 1.00 0.00 H new ATOM 0 HB2 LEU B 53 -16.250 -0.397 -6.064 1.00 0.00 H new ATOM 0 HB3 LEU B 53 -16.939 0.974 -6.911 1.00 0.00 H new ATOM 0 HG LEU B 53 -16.882 -1.879 -7.919 1.00 0.00 H new ATOM 0 HD11 LEU B 53 -19.322 -1.819 -7.555 1.00 0.00 H new ATOM 0 HD12 LEU B 53 -18.415 -1.595 -6.041 1.00 0.00 H new ATOM 0 HD13 LEU B 53 -19.167 -0.196 -6.844 1.00 0.00 H new ATOM 0 HD21 LEU B 53 -18.395 -1.074 -9.688 1.00 0.00 H new ATOM 0 HD22 LEU B 53 -18.195 0.590 -9.090 1.00 0.00 H new ATOM 0 HD23 LEU B 53 -16.800 -0.288 -9.762 1.00 0.00 H new ATOM 1090 N ILE B 54 -13.152 0.046 -6.333 1.00 0.00 N ATOM 1091 CA ILE B 54 -12.178 0.436 -5.311 1.00 0.00 C ATOM 1092 C ILE B 54 -11.080 1.379 -5.837 1.00 0.00 C ATOM 1093 O ILE B 54 -10.738 2.344 -5.152 1.00 0.00 O ATOM 1094 CB ILE B 54 -11.516 -0.800 -4.660 1.00 0.00 C ATOM 1095 CG1 ILE B 54 -12.569 -1.701 -4.015 1.00 0.00 C ATOM 1096 CG2 ILE B 54 -10.491 -0.366 -3.622 1.00 0.00 C ATOM 1097 CD1 ILE B 54 -13.348 -1.022 -2.916 1.00 0.00 C ATOM 0 H ILE B 54 -13.022 -0.901 -6.690 1.00 0.00 H new ATOM 0 HA ILE B 54 -12.753 0.984 -4.564 1.00 0.00 H new ATOM 0 HB ILE B 54 -11.009 -1.366 -5.441 1.00 0.00 H new ATOM 0 HG12 ILE B 54 -13.262 -2.044 -4.783 1.00 0.00 H new ATOM 0 HG13 ILE B 54 -12.079 -2.586 -3.609 1.00 0.00 H new ATOM 0 HG21 ILE B 54 -10.033 -1.247 -3.172 1.00 0.00 H new ATOM 0 HG22 ILE B 54 -9.721 0.238 -4.102 1.00 0.00 H new ATOM 0 HG23 ILE B 54 -10.984 0.222 -2.848 1.00 0.00 H new ATOM 0 HD11 ILE B 54 -14.077 -1.719 -2.503 1.00 0.00 H new ATOM 0 HD12 ILE B 54 -12.665 -0.703 -2.129 1.00 0.00 H new ATOM 0 HD13 ILE B 54 -13.866 -0.153 -3.321 1.00 0.00 H new ATOM 1109 N PRO B 55 -10.493 1.115 -7.039 1.00 0.00 N ATOM 1110 CA PRO B 55 -9.421 1.954 -7.622 1.00 0.00 C ATOM 1111 C PRO B 55 -9.735 3.454 -7.626 1.00 0.00 C ATOM 1112 O PRO B 55 -8.841 4.288 -7.771 1.00 0.00 O ATOM 1113 CB PRO B 55 -9.302 1.430 -9.054 1.00 0.00 C ATOM 1114 CG PRO B 55 -9.723 0.008 -8.962 1.00 0.00 C ATOM 1115 CD PRO B 55 -10.803 -0.031 -7.918 1.00 0.00 C ATOM 0 HA PRO B 55 -8.505 1.879 -7.035 1.00 0.00 H new ATOM 0 HB2 PRO B 55 -9.941 1.990 -9.737 1.00 0.00 H new ATOM 0 HB3 PRO B 55 -8.282 1.519 -9.427 1.00 0.00 H new ATOM 0 HG2 PRO B 55 -10.093 -0.353 -9.921 1.00 0.00 H new ATOM 0 HG3 PRO B 55 -8.885 -0.631 -8.682 1.00 0.00 H new ATOM 0 HD2 PRO B 55 -11.793 0.065 -8.364 1.00 0.00 H new ATOM 0 HD3 PRO B 55 -10.791 -0.971 -7.367 1.00 0.00 H new ATOM 1123 N GLU B 56 -11.001 3.794 -7.481 1.00 0.00 N ATOM 1124 CA GLU B 56 -11.404 5.186 -7.399 1.00 0.00 C ATOM 1125 C GLU B 56 -10.922 5.805 -6.084 1.00 0.00 C ATOM 1126 O GLU B 56 -10.377 6.909 -6.068 1.00 0.00 O ATOM 1127 CB GLU B 56 -12.922 5.303 -7.514 1.00 0.00 C ATOM 1128 CG GLU B 56 -13.402 6.708 -7.823 1.00 0.00 C ATOM 1129 CD GLU B 56 -12.837 7.232 -9.124 1.00 0.00 C ATOM 1130 OE1 GLU B 56 -13.206 6.700 -10.192 1.00 0.00 O ATOM 1131 OE2 GLU B 56 -12.021 8.173 -9.086 1.00 0.00 O1- ATOM 0 H GLU B 56 -11.769 3.126 -7.417 1.00 0.00 H new ATOM 0 HA GLU B 56 -10.947 5.730 -8.226 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -13.272 4.629 -8.296 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -13.375 4.971 -6.580 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -14.491 6.715 -7.873 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -13.116 7.375 -7.010 1.00 0.00 H new ATOM 1138 N SER B 57 -11.091 5.075 -4.986 1.00 0.00 N ATOM 1139 CA SER B 57 -10.724 5.587 -3.672 1.00 0.00 C ATOM 1140 C SER B 57 -9.243 5.369 -3.402 1.00 0.00 C ATOM 1141 O SER B 57 -8.647 6.085 -2.596 1.00 0.00 O ATOM 1142 CB SER B 57 -11.544 4.916 -2.568 1.00 0.00 C ATOM 1143 OG SER B 57 -11.346 5.558 -1.319 1.00 0.00 O ATOM 0 H SER B 57 -11.478 4.131 -4.980 1.00 0.00 H new ATOM 0 HA SER B 57 -10.937 6.656 -3.669 1.00 0.00 H new ATOM 0 HB2 SER B 57 -12.602 4.943 -2.830 1.00 0.00 H new ATOM 0 HB3 SER B 57 -11.262 3.866 -2.489 1.00 0.00 H new ATOM 0 HG SER B 57 -10.428 5.897 -1.268 1.00 0.00 H new ATOM 1149 N THR B 58 -8.650 4.382 -4.067 1.00 0.00 N ATOM 1150 CA THR B 58 -7.235 4.080 -3.870 1.00 0.00 C ATOM 1151 C THR B 58 -6.379 5.296 -4.197 1.00 0.00 C ATOM 1152 O THR B 58 -5.515 5.683 -3.413 1.00 0.00 O ATOM 1153 CB THR B 58 -6.768 2.883 -4.726 1.00 0.00 C ATOM 1154 OG1 THR B 58 -7.028 3.134 -6.106 1.00 0.00 O ATOM 1155 CG2 THR B 58 -7.466 1.602 -4.304 1.00 0.00 C ATOM 0 H THR B 58 -9.123 3.781 -4.742 1.00 0.00 H new ATOM 0 HA THR B 58 -7.114 3.813 -2.820 1.00 0.00 H new ATOM 0 HB THR B 58 -5.696 2.761 -4.573 1.00 0.00 H new ATOM 0 HG1 THR B 58 -6.463 2.552 -6.656 1.00 0.00 H new ATOM 0 HG21 THR B 58 -7.117 0.776 -4.924 1.00 0.00 H new ATOM 0 HG22 THR B 58 -7.239 1.392 -3.259 1.00 0.00 H new ATOM 0 HG23 THR B 58 -8.543 1.717 -4.426 1.00 0.00 H new ATOM 1163 N LYS B 59 -6.639 5.908 -5.349 1.00 0.00 N ATOM 1164 CA LYS B 59 -5.910 7.099 -5.761 1.00 0.00 C ATOM 1165 C LYS B 59 -6.284 8.296 -4.893 1.00 0.00 C ATOM 1166 O LYS B 59 -5.447 9.161 -4.620 1.00 0.00 O ATOM 1167 CB LYS B 59 -6.182 7.419 -7.231 1.00 0.00 C ATOM 1168 CG LYS B 59 -5.680 6.362 -8.202 1.00 0.00 C ATOM 1169 CD LYS B 59 -4.180 6.137 -8.074 1.00 0.00 C ATOM 1170 CE LYS B 59 -3.622 5.481 -9.329 1.00 0.00 C ATOM 1171 NZ LYS B 59 -2.147 5.304 -9.268 1.00 0.00 N1+ ATOM 0 H LYS B 59 -7.349 5.597 -6.012 1.00 0.00 H new ATOM 0 HA LYS B 59 -4.846 6.896 -5.635 1.00 0.00 H new ATOM 0 HB2 LYS B 59 -7.256 7.545 -7.371 1.00 0.00 H new ATOM 0 HB3 LYS B 59 -5.715 8.373 -7.476 1.00 0.00 H new ATOM 0 HG2 LYS B 59 -6.204 5.424 -8.020 1.00 0.00 H new ATOM 0 HG3 LYS B 59 -5.915 6.666 -9.222 1.00 0.00 H new ATOM 0 HD2 LYS B 59 -3.678 7.089 -7.902 1.00 0.00 H new ATOM 0 HD3 LYS B 59 -3.975 5.508 -7.208 1.00 0.00 H new ATOM 0 HE2 LYS B 59 -4.096 4.510 -9.470 1.00 0.00 H new ATOM 0 HE3 LYS B 59 -3.877 6.089 -10.197 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 -1.815 4.854 -10.145 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 -1.690 6.232 -9.161 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 -1.903 4.702 -8.456 1.00 0.00 H new ATOM 1185 N LYS B 60 -7.540 8.340 -4.456 1.00 0.00 N ATOM 1186 CA LYS B 60 -8.007 9.413 -3.586 1.00 0.00 C ATOM 1187 C LYS B 60 -7.237 9.392 -2.274 1.00 0.00 C ATOM 1188 O LYS B 60 -6.515 10.332 -1.947 1.00 0.00 O ATOM 1189 CB LYS B 60 -9.502 9.272 -3.289 1.00 0.00 C ATOM 1190 CG LYS B 60 -10.048 10.412 -2.440 1.00 0.00 C ATOM 1191 CD LYS B 60 -11.374 10.060 -1.784 1.00 0.00 C ATOM 1192 CE LYS B 60 -11.194 9.090 -0.628 1.00 0.00 C ATOM 1193 NZ LYS B 60 -12.430 8.966 0.189 1.00 0.00 N1+ ATOM 0 H LYS B 60 -8.250 7.646 -4.690 1.00 0.00 H new ATOM 0 HA LYS B 60 -7.838 10.358 -4.102 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -10.052 9.231 -4.229 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -9.678 8.327 -2.775 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -9.321 10.669 -1.670 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -10.177 11.297 -3.064 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -11.853 10.970 -1.423 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -12.041 9.621 -2.526 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -10.916 8.110 -1.016 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -10.373 9.427 0.005 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -12.332 8.167 0.847 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -12.579 9.843 0.728 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -13.245 8.802 -0.436 1.00 0.00 H new ATOM 1207 N CYS B 61 -7.388 8.296 -1.543 1.00 0.00 N ATOM 1208 CA CYS B 61 -6.736 8.126 -0.252 1.00 0.00 C ATOM 1209 C CYS B 61 -5.218 8.174 -0.399 1.00 0.00 C ATOM 1210 O CYS B 61 -4.505 8.541 0.535 1.00 0.00 O ATOM 1211 CB CYS B 61 -7.174 6.805 0.378 1.00 0.00 C ATOM 1212 SG CYS B 61 -8.979 6.666 0.591 1.00 0.00 S ATOM 0 H CYS B 61 -7.963 7.503 -1.827 1.00 0.00 H new ATOM 0 HA CYS B 61 -7.034 8.946 0.401 1.00 0.00 H new ATOM 0 HB2 CYS B 61 -6.825 5.981 -0.244 1.00 0.00 H new ATOM 0 HB3 CYS B 61 -6.692 6.697 1.350 1.00 0.00 H new ATOM 1217 N GLN B 62 -4.737 7.807 -1.581 1.00 0.00 N ATOM 1218 CA GLN B 62 -3.325 7.922 -1.901 1.00 0.00 C ATOM 1219 C GLN B 62 -2.881 9.373 -1.786 1.00 0.00 C ATOM 1220 O GLN B 62 -2.000 9.692 -0.998 1.00 0.00 O ATOM 1221 CB GLN B 62 -3.061 7.397 -3.313 1.00 0.00 C ATOM 1222 CG GLN B 62 -1.634 7.586 -3.784 1.00 0.00 C ATOM 1223 CD GLN B 62 -1.403 7.005 -5.161 1.00 0.00 C ATOM 1224 OE1 GLN B 62 -1.575 7.682 -6.172 1.00 0.00 O ATOM 1225 NE2 GLN B 62 -1.019 5.742 -5.209 1.00 0.00 N ATOM 0 H GLN B 62 -5.309 7.426 -2.334 1.00 0.00 H new ATOM 0 HA GLN B 62 -2.752 7.323 -1.193 1.00 0.00 H new ATOM 0 HB2 GLN B 62 -3.306 6.335 -3.347 1.00 0.00 H new ATOM 0 HB3 GLN B 62 -3.732 7.901 -4.008 1.00 0.00 H new ATOM 0 HG2 GLN B 62 -1.395 8.650 -3.796 1.00 0.00 H new ATOM 0 HG3 GLN B 62 -0.954 7.115 -3.074 1.00 0.00 H new ATOM 0 HE21 GLN B 62 -0.888 5.216 -4.345 1.00 0.00 H new ATOM 0 HE22 GLN B 62 -0.854 5.293 -6.110 1.00 0.00 H new ATOM 1234 N ASP B 63 -3.532 10.246 -2.548 1.00 0.00 N ATOM 1235 CA ASP B 63 -3.203 11.670 -2.553 1.00 0.00 C ATOM 1236 C ASP B 63 -3.396 12.282 -1.168 1.00 0.00 C ATOM 1237 O ASP B 63 -2.705 13.231 -0.790 1.00 0.00 O ATOM 1238 CB ASP B 63 -4.073 12.405 -3.575 1.00 0.00 C ATOM 1239 CG ASP B 63 -3.795 13.894 -3.625 1.00 0.00 C ATOM 1240 OD1 ASP B 63 -4.656 14.683 -3.175 1.00 0.00 O ATOM 1241 OD2 ASP B 63 -2.722 14.286 -4.127 1.00 0.00 O1- ATOM 0 H ASP B 63 -4.296 9.991 -3.174 1.00 0.00 H new ATOM 0 HA ASP B 63 -2.154 11.776 -2.830 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -3.905 11.976 -4.563 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -5.123 12.245 -3.332 1.00 0.00 H new ATOM 1246 N GLU B 64 -4.331 11.719 -0.415 1.00 0.00 N ATOM 1247 CA GLU B 64 -4.615 12.176 0.940 1.00 0.00 C ATOM 1248 C GLU B 64 -3.396 12.015 1.835 1.00 0.00 C ATOM 1249 O GLU B 64 -2.879 12.977 2.404 1.00 0.00 O ATOM 1250 CB GLU B 64 -5.770 11.368 1.534 1.00 0.00 C ATOM 1251 CG GLU B 64 -7.092 11.554 0.805 1.00 0.00 C ATOM 1252 CD GLU B 64 -7.521 13.004 0.733 1.00 0.00 C ATOM 1253 OE1 GLU B 64 -7.990 13.541 1.758 1.00 0.00 O ATOM 1254 OE2 GLU B 64 -7.400 13.617 -0.349 1.00 0.00 O1- ATOM 0 H GLU B 64 -4.911 10.938 -0.722 1.00 0.00 H new ATOM 0 HA GLU B 64 -4.884 13.231 0.887 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -5.505 10.311 1.521 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -5.899 11.652 2.578 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -7.004 11.155 -0.205 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -7.865 10.975 1.310 1.00 0.00 H new ATOM 1261 N LEU B 65 -2.947 10.782 1.940 1.00 0.00 N ATOM 1262 CA LEU B 65 -1.898 10.416 2.873 1.00 0.00 C ATOM 1263 C LEU B 65 -0.507 10.663 2.295 1.00 0.00 C ATOM 1264 O LEU B 65 0.435 10.908 3.044 1.00 0.00 O ATOM 1265 CB LEU B 65 -2.082 8.956 3.272 1.00 0.00 C ATOM 1266 CG LEU B 65 -3.472 8.636 3.824 1.00 0.00 C ATOM 1267 CD1 LEU B 65 -3.771 7.158 3.705 1.00 0.00 C ATOM 1268 CD2 LEU B 65 -3.590 9.089 5.270 1.00 0.00 C ATOM 0 H LEU B 65 -3.298 10.004 1.382 1.00 0.00 H new ATOM 0 HA LEU B 65 -1.977 11.048 3.757 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -1.892 8.325 2.403 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -1.335 8.698 4.023 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.206 9.181 3.231 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -4.765 6.955 4.104 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -3.733 6.862 2.657 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -3.031 6.590 4.269 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -4.586 8.853 5.645 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -2.843 8.575 5.875 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.426 10.165 5.329 1.00 0.00 H new ATOM 1280 N TYR B 66 -0.387 10.601 0.968 1.00 0.00 N ATOM 1281 CA TYR B 66 0.889 10.825 0.269 1.00 0.00 C ATOM 1282 C TYR B 66 1.607 12.077 0.773 1.00 0.00 C ATOM 1283 O TYR B 66 2.834 12.090 0.903 1.00 0.00 O ATOM 1284 CB TYR B 66 0.634 10.934 -1.242 1.00 0.00 C ATOM 1285 CG TYR B 66 1.821 11.405 -2.059 1.00 0.00 C ATOM 1286 CD1 TYR B 66 2.849 10.536 -2.402 1.00 0.00 C ATOM 1287 CD2 TYR B 66 1.902 12.721 -2.499 1.00 0.00 C ATOM 1288 CE1 TYR B 66 3.925 10.968 -3.157 1.00 0.00 C ATOM 1289 CE2 TYR B 66 2.973 13.158 -3.251 1.00 0.00 C ATOM 1290 CZ TYR B 66 3.981 12.279 -3.577 1.00 0.00 C ATOM 1291 OH TYR B 66 5.050 12.714 -4.325 1.00 0.00 O ATOM 0 H TYR B 66 -1.167 10.395 0.344 1.00 0.00 H new ATOM 0 HA TYR B 66 1.538 9.974 0.475 1.00 0.00 H new ATOM 0 HB2 TYR B 66 0.320 9.959 -1.614 1.00 0.00 H new ATOM 0 HB3 TYR B 66 -0.197 11.620 -1.407 1.00 0.00 H new ATOM 0 HD1 TYR B 66 2.808 9.508 -2.074 1.00 0.00 H new ATOM 0 HD2 TYR B 66 1.112 13.414 -2.248 1.00 0.00 H new ATOM 0 HE1 TYR B 66 4.717 10.281 -3.416 1.00 0.00 H new ATOM 0 HE2 TYR B 66 3.020 14.185 -3.582 1.00 0.00 H new ATOM 0 HH TYR B 66 4.934 13.663 -4.540 1.00 0.00 H new ATOM 1301 N ALA B 67 0.838 13.116 1.069 1.00 0.00 N ATOM 1302 CA ALA B 67 1.395 14.383 1.528 1.00 0.00 C ATOM 1303 C ALA B 67 2.032 14.254 2.910 1.00 0.00 C ATOM 1304 O ALA B 67 2.979 14.972 3.234 1.00 0.00 O ATOM 1305 CB ALA B 67 0.315 15.452 1.540 1.00 0.00 C ATOM 0 H ALA B 67 -0.180 13.107 0.999 1.00 0.00 H new ATOM 0 HA ALA B 67 2.182 14.674 0.832 1.00 0.00 H new ATOM 0 HB1 ALA B 67 0.740 16.395 1.884 1.00 0.00 H new ATOM 0 HB2 ALA B 67 -0.082 15.579 0.533 1.00 0.00 H new ATOM 0 HB3 ALA B 67 -0.489 15.150 2.212 1.00 0.00 H new ATOM 1311 N SER B 68 1.525 13.333 3.715 1.00 0.00 N ATOM 1312 CA SER B 68 2.027 13.139 5.069 1.00 0.00 C ATOM 1313 C SER B 68 3.013 11.971 5.126 1.00 0.00 C ATOM 1314 O SER B 68 3.726 11.794 6.112 1.00 0.00 O ATOM 1315 CB SER B 68 0.858 12.889 6.021 1.00 0.00 C ATOM 1316 OG SER B 68 -0.108 13.927 5.927 1.00 0.00 O ATOM 0 H SER B 68 0.764 12.706 3.454 1.00 0.00 H new ATOM 0 HA SER B 68 2.556 14.042 5.375 1.00 0.00 H new ATOM 0 HB2 SER B 68 0.392 11.932 5.787 1.00 0.00 H new ATOM 0 HB3 SER B 68 1.226 12.822 7.045 1.00 0.00 H new ATOM 0 HG SER B 68 -0.847 13.743 6.544 1.00 0.00 H new ATOM 1322 N MET B 69 3.042 11.175 4.063 1.00 0.00 N ATOM 1323 CA MET B 69 3.948 10.038 3.973 1.00 0.00 C ATOM 1324 C MET B 69 5.394 10.505 3.863 1.00 0.00 C ATOM 1325 O MET B 69 5.681 11.497 3.191 1.00 0.00 O ATOM 1326 CB MET B 69 3.596 9.181 2.758 1.00 0.00 C ATOM 1327 CG MET B 69 2.262 8.463 2.870 1.00 0.00 C ATOM 1328 SD MET B 69 1.849 7.531 1.383 1.00 0.00 S ATOM 1329 CE MET B 69 3.165 6.319 1.370 1.00 0.00 C ATOM 0 H MET B 69 2.443 11.299 3.246 1.00 0.00 H new ATOM 0 HA MET B 69 3.839 9.445 4.881 1.00 0.00 H new ATOM 0 HB2 MET B 69 3.582 9.815 1.872 1.00 0.00 H new ATOM 0 HB3 MET B 69 4.383 8.442 2.608 1.00 0.00 H new ATOM 0 HG2 MET B 69 2.289 7.785 3.723 1.00 0.00 H new ATOM 0 HG3 MET B 69 1.476 9.192 3.067 1.00 0.00 H new ATOM 0 HE1 MET B 69 3.122 5.745 0.444 1.00 0.00 H new ATOM 0 HE2 MET B 69 4.127 6.826 1.439 1.00 0.00 H new ATOM 0 HE3 MET B 69 3.048 5.646 2.219 1.00 0.00 H new ATOM 1339 N PRO B 70 6.320 9.799 4.530 1.00 0.00 N ATOM 1340 CA PRO B 70 7.748 10.098 4.448 1.00 0.00 C ATOM 1341 C PRO B 70 8.335 9.663 3.112 1.00 0.00 C ATOM 1342 O PRO B 70 7.638 9.048 2.304 1.00 0.00 O ATOM 1343 CB PRO B 70 8.349 9.284 5.597 1.00 0.00 C ATOM 1344 CG PRO B 70 7.416 8.138 5.772 1.00 0.00 C ATOM 1345 CD PRO B 70 6.046 8.652 5.415 1.00 0.00 C ATOM 0 HA PRO B 70 7.956 11.165 4.522 1.00 0.00 H new ATOM 0 HB2 PRO B 70 9.356 8.943 5.357 1.00 0.00 H new ATOM 0 HB3 PRO B 70 8.423 9.878 6.508 1.00 0.00 H new ATOM 0 HG2 PRO B 70 7.699 7.304 5.129 1.00 0.00 H new ATOM 0 HG3 PRO B 70 7.439 7.771 6.798 1.00 0.00 H new ATOM 0 HD2 PRO B 70 5.452 7.890 4.910 1.00 0.00 H new ATOM 0 HD3 PRO B 70 5.489 8.955 6.302 1.00 0.00 H new ATOM 1353 N ASP B 71 9.606 9.971 2.886 1.00 0.00 N ATOM 1354 CA ASP B 71 10.254 9.675 1.607 1.00 0.00 C ATOM 1355 C ASP B 71 10.177 8.191 1.291 1.00 0.00 C ATOM 1356 O ASP B 71 9.720 7.788 0.217 1.00 0.00 O ATOM 1357 CB ASP B 71 11.720 10.110 1.633 1.00 0.00 C ATOM 1358 CG ASP B 71 12.373 10.032 0.266 1.00 0.00 C ATOM 1359 OD1 ASP B 71 12.324 11.036 -0.475 1.00 0.00 O ATOM 1360 OD2 ASP B 71 12.940 8.974 -0.075 1.00 0.00 O1- ATOM 0 H ASP B 71 10.212 10.426 3.569 1.00 0.00 H new ATOM 0 HA ASP B 71 9.726 10.231 0.832 1.00 0.00 H new ATOM 0 HB2 ASP B 71 11.786 11.132 2.006 1.00 0.00 H new ATOM 0 HB3 ASP B 71 12.270 9.480 2.332 1.00 0.00 H new ATOM 1365 N LYS B 72 10.609 7.379 2.238 1.00 0.00 N ATOM 1366 CA LYS B 72 10.604 5.945 2.055 1.00 0.00 C ATOM 1367 C LYS B 72 9.774 5.278 3.141 1.00 0.00 C ATOM 1368 O LYS B 72 9.591 5.830 4.226 1.00 0.00 O ATOM 1369 CB LYS B 72 12.033 5.404 2.046 1.00 0.00 C ATOM 1370 CG LYS B 72 12.922 6.085 1.021 1.00 0.00 C ATOM 1371 CD LYS B 72 14.339 5.539 1.039 1.00 0.00 C ATOM 1372 CE LYS B 72 15.207 6.223 -0.008 1.00 0.00 C ATOM 1373 NZ LYS B 72 15.274 7.696 0.195 1.00 0.00 N1+ ATOM 0 H LYS B 72 10.967 7.691 3.141 1.00 0.00 H new ATOM 0 HA LYS B 72 10.150 5.715 1.091 1.00 0.00 H new ATOM 0 HB2 LYS B 72 12.469 5.530 3.037 1.00 0.00 H new ATOM 0 HB3 LYS B 72 12.008 4.333 1.843 1.00 0.00 H new ATOM 0 HG2 LYS B 72 12.496 5.952 0.027 1.00 0.00 H new ATOM 0 HG3 LYS B 72 12.945 7.157 1.217 1.00 0.00 H new ATOM 0 HD2 LYS B 72 14.775 5.684 2.027 1.00 0.00 H new ATOM 0 HD3 LYS B 72 14.320 4.465 0.854 1.00 0.00 H new ATOM 0 HE2 LYS B 72 16.214 5.806 0.028 1.00 0.00 H new ATOM 0 HE3 LYS B 72 14.810 6.012 -1.001 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 16.058 8.088 -0.364 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 14.380 8.130 -0.111 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 15.431 7.901 1.202 1.00 0.00 H new ATOM 1387 N ILE B 73 9.279 4.096 2.836 1.00 0.00 N ATOM 1388 CA ILE B 73 8.332 3.399 3.686 1.00 0.00 C ATOM 1389 C ILE B 73 8.907 2.066 4.161 1.00 0.00 C ATOM 1390 O ILE B 73 9.168 1.169 3.357 1.00 0.00 O ATOM 1391 CB ILE B 73 7.015 3.143 2.918 1.00 0.00 C ATOM 1392 CG1 ILE B 73 6.388 4.464 2.458 1.00 0.00 C ATOM 1393 CG2 ILE B 73 6.030 2.354 3.767 1.00 0.00 C ATOM 1394 CD1 ILE B 73 6.003 5.389 3.591 1.00 0.00 C ATOM 0 H ILE B 73 9.523 3.588 1.986 1.00 0.00 H new ATOM 0 HA ILE B 73 8.133 4.027 4.554 1.00 0.00 H new ATOM 0 HB ILE B 73 7.254 2.549 2.036 1.00 0.00 H new ATOM 0 HG12 ILE B 73 7.091 4.980 1.804 1.00 0.00 H new ATOM 0 HG13 ILE B 73 5.501 4.246 1.863 1.00 0.00 H new ATOM 0 HG21 ILE B 73 5.113 2.189 3.201 1.00 0.00 H new ATOM 0 HG22 ILE B 73 6.469 1.393 4.035 1.00 0.00 H new ATOM 0 HG23 ILE B 73 5.801 2.914 4.674 1.00 0.00 H new ATOM 0 HD11 ILE B 73 5.567 6.301 3.184 1.00 0.00 H new ATOM 0 HD12 ILE B 73 5.275 4.894 4.233 1.00 0.00 H new ATOM 0 HD13 ILE B 73 6.890 5.640 4.173 1.00 0.00 H new ATOM 1406 N ASN B 74 9.116 1.948 5.465 1.00 0.00 N ATOM 1407 CA ASN B 74 9.597 0.704 6.057 1.00 0.00 C ATOM 1408 C ASN B 74 8.414 -0.233 6.303 1.00 0.00 C ATOM 1409 O ASN B 74 7.268 0.187 6.172 1.00 0.00 O ATOM 1410 CB ASN B 74 10.342 1.002 7.366 1.00 0.00 C ATOM 1411 CG ASN B 74 11.035 -0.217 7.951 1.00 0.00 C ATOM 1412 OD1 ASN B 74 11.403 -1.147 7.230 1.00 0.00 O ATOM 1413 ND2 ASN B 74 11.219 -0.216 9.261 1.00 0.00 N ATOM 0 H ASN B 74 8.960 2.700 6.136 1.00 0.00 H new ATOM 0 HA ASN B 74 10.292 0.216 5.374 1.00 0.00 H new ATOM 0 HB2 ASN B 74 11.082 1.781 7.186 1.00 0.00 H new ATOM 0 HB3 ASN B 74 9.636 1.396 8.097 1.00 0.00 H new ATOM 0 HD21 ASN B 74 11.681 -1.006 9.712 1.00 0.00 H new ATOM 0 HD22 ASN B 74 10.899 0.575 9.820 1.00 0.00 H new ATOM 1420 N SER B 75 8.681 -1.487 6.657 1.00 0.00 N ATOM 1421 CA SER B 75 7.620 -2.477 6.831 1.00 0.00 C ATOM 1422 C SER B 75 6.570 -1.995 7.839 1.00 0.00 C ATOM 1423 O SER B 75 5.368 -2.046 7.567 1.00 0.00 O ATOM 1424 CB SER B 75 8.210 -3.819 7.277 1.00 0.00 C ATOM 1425 OG SER B 75 7.242 -4.854 7.207 1.00 0.00 O ATOM 0 H SER B 75 9.621 -1.842 6.829 1.00 0.00 H new ATOM 0 HA SER B 75 7.126 -2.611 5.869 1.00 0.00 H new ATOM 0 HB2 SER B 75 9.063 -4.072 6.647 1.00 0.00 H new ATOM 0 HB3 SER B 75 8.582 -3.734 8.298 1.00 0.00 H new ATOM 0 HG SER B 75 7.645 -5.699 7.496 1.00 0.00 H new ATOM 1431 N GLU B 76 7.028 -1.510 8.991 1.00 0.00 N ATOM 1432 CA GLU B 76 6.129 -0.971 10.007 1.00 0.00 C ATOM 1433 C GLU B 76 5.359 0.232 9.469 1.00 0.00 C ATOM 1434 O GLU B 76 4.154 0.360 9.688 1.00 0.00 O ATOM 1435 CB GLU B 76 6.917 -0.557 11.250 1.00 0.00 C ATOM 1436 CG GLU B 76 6.054 0.071 12.332 1.00 0.00 C ATOM 1437 CD GLU B 76 6.868 0.580 13.498 1.00 0.00 C ATOM 1438 OE1 GLU B 76 7.132 -0.204 14.432 1.00 0.00 O ATOM 1439 OE2 GLU B 76 7.263 1.765 13.480 1.00 0.00 O1- ATOM 0 H GLU B 76 8.016 -1.479 9.243 1.00 0.00 H new ATOM 0 HA GLU B 76 5.418 -1.753 10.274 1.00 0.00 H new ATOM 0 HB2 GLU B 76 7.420 -1.433 11.660 1.00 0.00 H new ATOM 0 HB3 GLU B 76 7.694 0.150 10.959 1.00 0.00 H new ATOM 0 HG2 GLU B 76 5.483 0.895 11.904 1.00 0.00 H new ATOM 0 HG3 GLU B 76 5.333 -0.664 12.690 1.00 0.00 H new ATOM 1446 N THR B 77 6.063 1.097 8.752 1.00 0.00 N ATOM 1447 CA THR B 77 5.475 2.311 8.208 1.00 0.00 C ATOM 1448 C THR B 77 4.412 1.965 7.168 1.00 0.00 C ATOM 1449 O THR B 77 3.408 2.663 7.021 1.00 0.00 O ATOM 1450 CB THR B 77 6.565 3.193 7.567 1.00 0.00 C ATOM 1451 OG1 THR B 77 7.723 3.218 8.414 1.00 0.00 O ATOM 1452 CG2 THR B 77 6.070 4.615 7.346 1.00 0.00 C ATOM 0 H THR B 77 7.052 0.977 8.533 1.00 0.00 H new ATOM 0 HA THR B 77 5.007 2.863 9.023 1.00 0.00 H new ATOM 0 HB THR B 77 6.819 2.765 6.597 1.00 0.00 H new ATOM 0 HG1 THR B 77 8.416 3.777 8.005 1.00 0.00 H new ATOM 0 HG21 THR B 77 6.863 5.210 6.893 1.00 0.00 H new ATOM 0 HG22 THR B 77 5.204 4.600 6.684 1.00 0.00 H new ATOM 0 HG23 THR B 77 5.788 5.055 8.303 1.00 0.00 H new ATOM 1460 N ALA B 78 4.647 0.867 6.462 1.00 0.00 N ATOM 1461 CA ALA B 78 3.718 0.366 5.462 1.00 0.00 C ATOM 1462 C ALA B 78 2.375 0.030 6.090 1.00 0.00 C ATOM 1463 O ALA B 78 1.325 0.377 5.552 1.00 0.00 O ATOM 1464 CB ALA B 78 4.311 -0.856 4.781 1.00 0.00 C ATOM 0 H ALA B 78 5.488 0.299 6.568 1.00 0.00 H new ATOM 0 HA ALA B 78 3.552 1.144 4.716 1.00 0.00 H new ATOM 0 HB1 ALA B 78 3.613 -1.230 4.032 1.00 0.00 H new ATOM 0 HB2 ALA B 78 5.250 -0.584 4.298 1.00 0.00 H new ATOM 0 HB3 ALA B 78 4.496 -1.632 5.523 1.00 0.00 H new ATOM 1470 N GLY B 79 2.416 -0.629 7.242 1.00 0.00 N ATOM 1471 CA GLY B 79 1.197 -0.966 7.947 1.00 0.00 C ATOM 1472 C GLY B 79 0.429 0.272 8.366 1.00 0.00 C ATOM 1473 O GLY B 79 -0.801 0.291 8.319 1.00 0.00 O ATOM 0 H GLY B 79 3.274 -0.936 7.700 1.00 0.00 H new ATOM 0 HA2 GLY B 79 0.567 -1.586 7.309 1.00 0.00 H new ATOM 0 HA3 GLY B 79 1.439 -1.559 8.829 1.00 0.00 H new ATOM 1477 N THR B 80 1.165 1.308 8.751 1.00 0.00 N ATOM 1478 CA THR B 80 0.576 2.575 9.168 1.00 0.00 C ATOM 1479 C THR B 80 -0.306 3.165 8.068 1.00 0.00 C ATOM 1480 O THR B 80 -1.484 3.461 8.283 1.00 0.00 O ATOM 1481 CB THR B 80 1.678 3.592 9.518 1.00 0.00 C ATOM 1482 OG1 THR B 80 2.634 2.991 10.401 1.00 0.00 O ATOM 1483 CG2 THR B 80 1.090 4.832 10.170 1.00 0.00 C ATOM 0 H THR B 80 2.184 1.294 8.783 1.00 0.00 H new ATOM 0 HA THR B 80 -0.037 2.375 10.047 1.00 0.00 H new ATOM 0 HB THR B 80 2.171 3.890 8.593 1.00 0.00 H new ATOM 0 HG1 THR B 80 3.333 3.642 10.618 1.00 0.00 H new ATOM 0 HG21 THR B 80 1.890 5.533 10.407 1.00 0.00 H new ATOM 0 HG22 THR B 80 0.385 5.304 9.485 1.00 0.00 H new ATOM 0 HG23 THR B 80 0.572 4.550 11.087 1.00 0.00 H new ATOM 1491 N TRP B 81 0.266 3.320 6.887 1.00 0.00 N ATOM 1492 CA TRP B 81 -0.439 3.947 5.781 1.00 0.00 C ATOM 1493 C TRP B 81 -1.377 2.961 5.098 1.00 0.00 C ATOM 1494 O TRP B 81 -2.426 3.347 4.581 1.00 0.00 O ATOM 1495 CB TRP B 81 0.564 4.529 4.786 1.00 0.00 C ATOM 1496 CG TRP B 81 1.473 5.539 5.418 1.00 0.00 C ATOM 1497 CD1 TRP B 81 2.800 5.391 5.693 1.00 0.00 C ATOM 1498 CD2 TRP B 81 1.110 6.844 5.875 1.00 0.00 C ATOM 1499 NE1 TRP B 81 3.286 6.529 6.291 1.00 0.00 N ATOM 1500 CE2 TRP B 81 2.268 7.435 6.413 1.00 0.00 C ATOM 1501 CE3 TRP B 81 -0.080 7.572 5.879 1.00 0.00 C ATOM 1502 CZ2 TRP B 81 2.267 8.719 6.950 1.00 0.00 C ATOM 1503 CZ3 TRP B 81 -0.081 8.845 6.411 1.00 0.00 C ATOM 1504 CH2 TRP B 81 1.086 9.409 6.940 1.00 0.00 C ATOM 0 H TRP B 81 1.216 3.021 6.668 1.00 0.00 H new ATOM 0 HA TRP B 81 -1.050 4.759 6.175 1.00 0.00 H new ATOM 0 HB2 TRP B 81 1.161 3.722 4.361 1.00 0.00 H new ATOM 0 HB3 TRP B 81 0.025 4.995 3.961 1.00 0.00 H new ATOM 0 HD1 TRP B 81 3.384 4.509 5.473 1.00 0.00 H new ATOM 0 HE1 TRP B 81 4.249 6.674 6.594 1.00 0.00 H new ATOM 0 HE3 TRP B 81 -0.985 7.146 5.472 1.00 0.00 H new ATOM 0 HZ2 TRP B 81 3.166 9.155 7.360 1.00 0.00 H new ATOM 0 HZ3 TRP B 81 -0.998 9.416 6.419 1.00 0.00 H new ATOM 0 HH2 TRP B 81 1.053 10.408 7.348 1.00 0.00 H new ATOM 1515 N GLY B 82 -1.005 1.685 5.121 1.00 0.00 N ATOM 1516 CA GLY B 82 -1.821 0.651 4.514 1.00 0.00 C ATOM 1517 C GLY B 82 -3.199 0.564 5.133 1.00 0.00 C ATOM 1518 O GLY B 82 -4.205 0.518 4.422 1.00 0.00 O ATOM 0 H GLY B 82 -0.145 1.347 5.553 1.00 0.00 H new ATOM 0 HA2 GLY B 82 -1.917 0.848 3.446 1.00 0.00 H new ATOM 0 HA3 GLY B 82 -1.319 -0.311 4.616 1.00 0.00 H new ATOM 1522 N ARG B 83 -3.256 0.551 6.460 1.00 0.00 N ATOM 1523 CA ARG B 83 -4.535 0.503 7.152 1.00 0.00 C ATOM 1524 C ARG B 83 -5.299 1.807 6.951 1.00 0.00 C ATOM 1525 O ARG B 83 -6.519 1.802 6.815 1.00 0.00 O ATOM 1526 CB ARG B 83 -4.360 0.222 8.650 1.00 0.00 C ATOM 1527 CG ARG B 83 -3.561 1.277 9.396 1.00 0.00 C ATOM 1528 CD ARG B 83 -3.893 1.268 10.876 1.00 0.00 C ATOM 1529 NE ARG B 83 -5.261 1.722 11.121 1.00 0.00 N ATOM 1530 CZ ARG B 83 -5.911 1.573 12.272 1.00 0.00 C ATOM 1531 NH1 ARG B 83 -5.342 0.937 13.290 1.00 0.00 N1+ ATOM 1532 NH2 ARG B 83 -7.137 2.064 12.396 1.00 0.00 N ATOM 0 H ARG B 83 -2.440 0.573 7.071 1.00 0.00 H new ATOM 0 HA ARG B 83 -5.108 -0.318 6.722 1.00 0.00 H new ATOM 0 HB2 ARG B 83 -5.345 0.137 9.109 1.00 0.00 H new ATOM 0 HB3 ARG B 83 -3.868 -0.743 8.771 1.00 0.00 H new ATOM 0 HG2 ARG B 83 -2.495 1.095 9.258 1.00 0.00 H new ATOM 0 HG3 ARG B 83 -3.773 2.261 8.978 1.00 0.00 H new ATOM 0 HD2 ARG B 83 -3.766 0.260 11.272 1.00 0.00 H new ATOM 0 HD3 ARG B 83 -3.194 1.911 11.411 1.00 0.00 H new ATOM 0 HE ARG B 83 -5.751 2.185 10.356 1.00 0.00 H new ATOM 0 HH11 ARG B 83 -4.400 0.559 13.192 1.00 0.00 H new ATOM 0 HH12 ARG B 83 -5.847 0.827 14.169 1.00 0.00 H new ATOM 0 HH21 ARG B 83 -7.573 2.551 11.613 1.00 0.00 H new ATOM 0 HH22 ARG B 83 -7.644 1.955 13.275 1.00 0.00 H new ATOM 1546 N SER B 84 -4.568 2.919 6.910 1.00 0.00 N ATOM 1547 CA SER B 84 -5.177 4.227 6.715 1.00 0.00 C ATOM 1548 C SER B 84 -5.856 4.305 5.351 1.00 0.00 C ATOM 1549 O SER B 84 -6.957 4.842 5.228 1.00 0.00 O ATOM 1550 CB SER B 84 -4.123 5.324 6.866 1.00 0.00 C ATOM 1551 OG SER B 84 -3.533 5.279 8.156 1.00 0.00 O ATOM 0 H SER B 84 -3.553 2.937 7.010 1.00 0.00 H new ATOM 0 HA SER B 84 -5.941 4.377 7.478 1.00 0.00 H new ATOM 0 HB2 SER B 84 -3.353 5.203 6.104 1.00 0.00 H new ATOM 0 HB3 SER B 84 -4.581 6.300 6.704 1.00 0.00 H new ATOM 0 HG SER B 84 -2.713 4.743 8.122 1.00 0.00 H new ATOM 1557 N LEU B 85 -5.200 3.759 4.331 1.00 0.00 N ATOM 1558 CA LEU B 85 -5.805 3.640 3.013 1.00 0.00 C ATOM 1559 C LEU B 85 -7.042 2.757 3.090 1.00 0.00 C ATOM 1560 O LEU B 85 -8.109 3.124 2.604 1.00 0.00 O ATOM 1561 CB LEU B 85 -4.816 3.038 2.008 1.00 0.00 C ATOM 1562 CG LEU B 85 -3.616 3.913 1.638 1.00 0.00 C ATOM 1563 CD1 LEU B 85 -2.600 3.104 0.852 1.00 0.00 C ATOM 1564 CD2 LEU B 85 -4.062 5.111 0.817 1.00 0.00 C ATOM 0 H LEU B 85 -4.250 3.393 4.394 1.00 0.00 H new ATOM 0 HA LEU B 85 -6.083 4.639 2.676 1.00 0.00 H new ATOM 0 HB2 LEU B 85 -4.443 2.098 2.415 1.00 0.00 H new ATOM 0 HB3 LEU B 85 -5.359 2.797 1.094 1.00 0.00 H new ATOM 0 HG LEU B 85 -3.155 4.270 2.559 1.00 0.00 H new ATOM 0 HD11 LEU B 85 -1.751 3.737 0.595 1.00 0.00 H new ATOM 0 HD12 LEU B 85 -2.256 2.265 1.457 1.00 0.00 H new ATOM 0 HD13 LEU B 85 -3.062 2.728 -0.061 1.00 0.00 H new ATOM 0 HD21 LEU B 85 -3.195 5.721 0.563 1.00 0.00 H new ATOM 0 HD22 LEU B 85 -4.543 4.766 -0.098 1.00 0.00 H new ATOM 0 HD23 LEU B 85 -4.768 5.706 1.396 1.00 0.00 H new ATOM 1576 N GLY B 86 -6.884 1.603 3.731 1.00 0.00 N ATOM 1577 CA GLY B 86 -7.955 0.627 3.819 1.00 0.00 C ATOM 1578 C GLY B 86 -9.224 1.181 4.440 1.00 0.00 C ATOM 1579 O GLY B 86 -10.293 1.121 3.831 1.00 0.00 O ATOM 0 H GLY B 86 -6.021 1.324 4.197 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -8.181 0.255 2.820 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -7.613 -0.225 4.407 1.00 0.00 H new ATOM 1583 N GLU B 87 -9.111 1.730 5.646 1.00 0.00 N ATOM 1584 CA GLU B 87 -10.277 2.252 6.354 1.00 0.00 C ATOM 1585 C GLU B 87 -10.892 3.434 5.608 1.00 0.00 C ATOM 1586 O GLU B 87 -12.108 3.598 5.590 1.00 0.00 O ATOM 1587 CB GLU B 87 -9.913 2.646 7.791 1.00 0.00 C ATOM 1588 CG GLU B 87 -8.783 3.657 7.894 1.00 0.00 C ATOM 1589 CD GLU B 87 -8.388 3.942 9.329 1.00 0.00 C ATOM 1590 OE1 GLU B 87 -9.029 4.804 9.965 1.00 0.00 O ATOM 1591 OE2 GLU B 87 -7.434 3.307 9.827 1.00 0.00 O1- ATOM 0 H GLU B 87 -8.230 1.825 6.151 1.00 0.00 H new ATOM 0 HA GLU B 87 -11.023 1.458 6.397 1.00 0.00 H new ATOM 0 HB2 GLU B 87 -10.798 3.056 8.278 1.00 0.00 H new ATOM 0 HB3 GLU B 87 -9.633 1.748 8.342 1.00 0.00 H new ATOM 0 HG2 GLU B 87 -7.916 3.284 7.349 1.00 0.00 H new ATOM 0 HG3 GLU B 87 -9.087 4.587 7.413 1.00 0.00 H new ATOM 1598 N CYS B 88 -10.047 4.242 4.982 1.00 0.00 N ATOM 1599 CA CYS B 88 -10.512 5.378 4.198 1.00 0.00 C ATOM 1600 C CYS B 88 -11.326 4.904 2.997 1.00 0.00 C ATOM 1601 O CYS B 88 -12.465 5.332 2.791 1.00 0.00 O ATOM 1602 CB CYS B 88 -9.319 6.212 3.729 1.00 0.00 C ATOM 1603 SG CYS B 88 -9.739 7.510 2.518 1.00 0.00 S ATOM 0 H CYS B 88 -9.033 4.131 5.002 1.00 0.00 H new ATOM 0 HA CYS B 88 -11.153 5.996 4.827 1.00 0.00 H new ATOM 0 HB2 CYS B 88 -8.853 6.679 4.597 1.00 0.00 H new ATOM 0 HB3 CYS B 88 -8.577 5.547 3.288 1.00 0.00 H new ATOM 1608 N ILE B 89 -10.732 4.006 2.223 1.00 0.00 N ATOM 1609 CA ILE B 89 -11.373 3.438 1.046 1.00 0.00 C ATOM 1610 C ILE B 89 -12.670 2.728 1.412 1.00 0.00 C ATOM 1611 O ILE B 89 -13.690 2.918 0.754 1.00 0.00 O ATOM 1612 CB ILE B 89 -10.432 2.439 0.357 1.00 0.00 C ATOM 1613 CG1 ILE B 89 -9.227 3.170 -0.243 1.00 0.00 C ATOM 1614 CG2 ILE B 89 -11.183 1.652 -0.702 1.00 0.00 C ATOM 1615 CD1 ILE B 89 -8.141 2.242 -0.726 1.00 0.00 C ATOM 0 H ILE B 89 -9.791 3.651 2.394 1.00 0.00 H new ATOM 0 HA ILE B 89 -11.601 4.260 0.367 1.00 0.00 H new ATOM 0 HB ILE B 89 -10.060 1.733 1.099 1.00 0.00 H new ATOM 0 HG12 ILE B 89 -9.564 3.787 -1.076 1.00 0.00 H new ATOM 0 HG13 ILE B 89 -8.811 3.845 0.506 1.00 0.00 H new ATOM 0 HG21 ILE B 89 -10.504 0.948 -1.182 1.00 0.00 H new ATOM 0 HG22 ILE B 89 -12.003 1.105 -0.236 1.00 0.00 H new ATOM 0 HG23 ILE B 89 -11.583 2.337 -1.449 1.00 0.00 H new ATOM 0 HD11 ILE B 89 -7.319 2.827 -1.138 1.00 0.00 H new ATOM 0 HD12 ILE B 89 -7.777 1.643 0.108 1.00 0.00 H new ATOM 0 HD13 ILE B 89 -8.541 1.584 -1.498 1.00 0.00 H new ATOM 1627 N GLY B 90 -12.620 1.915 2.463 1.00 0.00 N ATOM 1628 CA GLY B 90 -13.791 1.171 2.889 1.00 0.00 C ATOM 1629 C GLY B 90 -14.980 2.070 3.161 1.00 0.00 C ATOM 1630 O GLY B 90 -16.114 1.730 2.828 1.00 0.00 O ATOM 0 H GLY B 90 -11.786 1.758 3.029 1.00 0.00 H new ATOM 0 HA2 GLY B 90 -14.056 0.445 2.120 1.00 0.00 H new ATOM 0 HA3 GLY B 90 -13.552 0.607 3.791 1.00 0.00 H new ATOM 1634 N LYS B 91 -14.714 3.232 3.738 1.00 0.00 N ATOM 1635 CA LYS B 91 -15.769 4.189 4.050 1.00 0.00 C ATOM 1636 C LYS B 91 -16.289 4.838 2.779 1.00 0.00 C ATOM 1637 O LYS B 91 -17.490 5.062 2.626 1.00 0.00 O ATOM 1638 CB LYS B 91 -15.260 5.268 5.002 1.00 0.00 C ATOM 1639 CG LYS B 91 -14.858 4.740 6.366 1.00 0.00 C ATOM 1640 CD LYS B 91 -14.391 5.862 7.272 1.00 0.00 C ATOM 1641 CE LYS B 91 -13.921 5.335 8.616 1.00 0.00 C ATOM 1642 NZ LYS B 91 -13.483 6.434 9.513 1.00 0.00 N1+ ATOM 0 H LYS B 91 -13.777 3.537 4.000 1.00 0.00 H new ATOM 0 HA LYS B 91 -16.580 3.646 4.535 1.00 0.00 H new ATOM 0 HB2 LYS B 91 -14.403 5.765 4.548 1.00 0.00 H new ATOM 0 HB3 LYS B 91 -16.036 6.023 5.129 1.00 0.00 H new ATOM 0 HG2 LYS B 91 -15.704 4.227 6.824 1.00 0.00 H new ATOM 0 HG3 LYS B 91 -14.062 4.004 6.254 1.00 0.00 H new ATOM 0 HD2 LYS B 91 -13.579 6.406 6.790 1.00 0.00 H new ATOM 0 HD3 LYS B 91 -15.205 6.571 7.423 1.00 0.00 H new ATOM 0 HE2 LYS B 91 -14.728 4.777 9.091 1.00 0.00 H new ATOM 0 HE3 LYS B 91 -13.097 4.637 8.466 1.00 0.00 H new ATOM 0 HZ1 LYS B 91 -13.169 6.036 10.421 1.00 0.00 H new ATOM 0 HZ2 LYS B 91 -12.696 6.951 9.071 1.00 0.00 H new ATOM 0 HZ3 LYS B 91 -14.277 7.086 9.676 1.00 0.00 H new ATOM 1656 N ASP B 92 -15.376 5.124 1.860 1.00 0.00 N ATOM 1657 CA ASP B 92 -15.733 5.775 0.609 1.00 0.00 C ATOM 1658 C ASP B 92 -16.547 4.822 -0.244 1.00 0.00 C ATOM 1659 O ASP B 92 -17.596 5.179 -0.774 1.00 0.00 O ATOM 1660 CB ASP B 92 -14.478 6.206 -0.147 1.00 0.00 C ATOM 1661 CG ASP B 92 -14.795 7.081 -1.339 1.00 0.00 C ATOM 1662 OD1 ASP B 92 -15.193 6.549 -2.391 1.00 0.00 O ATOM 1663 OD2 ASP B 92 -14.637 8.315 -1.227 1.00 0.00 O1- ATOM 0 H ASP B 92 -14.383 4.915 1.959 1.00 0.00 H new ATOM 0 HA ASP B 92 -16.326 6.663 0.830 1.00 0.00 H new ATOM 0 HB2 ASP B 92 -13.816 6.746 0.531 1.00 0.00 H new ATOM 0 HB3 ASP B 92 -13.938 5.321 -0.483 1.00 0.00 H new ATOM 1668 N PHE B 93 -16.055 3.597 -0.342 1.00 0.00 N ATOM 1669 CA PHE B 93 -16.719 2.545 -1.090 1.00 0.00 C ATOM 1670 C PHE B 93 -18.115 2.287 -0.535 1.00 0.00 C ATOM 1671 O PHE B 93 -19.074 2.095 -1.291 1.00 0.00 O ATOM 1672 CB PHE B 93 -15.880 1.267 -1.031 1.00 0.00 C ATOM 1673 CG PHE B 93 -16.542 0.073 -1.650 1.00 0.00 C ATOM 1674 CD1 PHE B 93 -16.583 -0.077 -3.024 1.00 0.00 C ATOM 1675 CD2 PHE B 93 -17.113 -0.906 -0.853 1.00 0.00 C ATOM 1676 CE1 PHE B 93 -17.180 -1.180 -3.593 1.00 0.00 C ATOM 1677 CE2 PHE B 93 -17.715 -2.010 -1.419 1.00 0.00 C ATOM 1678 CZ PHE B 93 -17.747 -2.146 -2.789 1.00 0.00 C ATOM 0 H PHE B 93 -15.182 3.305 0.097 1.00 0.00 H new ATOM 0 HA PHE B 93 -16.821 2.861 -2.128 1.00 0.00 H new ATOM 0 HB2 PHE B 93 -14.930 1.445 -1.535 1.00 0.00 H new ATOM 0 HB3 PHE B 93 -15.651 1.043 0.011 1.00 0.00 H new ATOM 0 HD1 PHE B 93 -16.142 0.679 -3.657 1.00 0.00 H new ATOM 0 HD2 PHE B 93 -17.086 -0.803 0.222 1.00 0.00 H new ATOM 0 HE1 PHE B 93 -17.204 -1.288 -4.667 1.00 0.00 H new ATOM 0 HE2 PHE B 93 -18.160 -2.766 -0.789 1.00 0.00 H new ATOM 0 HZ PHE B 93 -18.217 -3.011 -3.234 1.00 0.00 H new ATOM 1688 N ALA B 94 -18.221 2.287 0.788 1.00 0.00 N ATOM 1689 CA ALA B 94 -19.497 2.082 1.446 1.00 0.00 C ATOM 1690 C ALA B 94 -20.487 3.167 1.050 1.00 0.00 C ATOM 1691 O ALA B 94 -21.551 2.876 0.517 1.00 0.00 O ATOM 1692 CB ALA B 94 -19.325 2.045 2.958 1.00 0.00 C ATOM 0 H ALA B 94 -17.436 2.427 1.423 1.00 0.00 H new ATOM 0 HA ALA B 94 -19.893 1.120 1.122 1.00 0.00 H new ATOM 0 HB1 ALA B 94 -20.295 1.890 3.431 1.00 0.00 H new ATOM 0 HB2 ALA B 94 -18.655 1.229 3.228 1.00 0.00 H new ATOM 0 HB3 ALA B 94 -18.902 2.990 3.299 1.00 0.00 H new ATOM 1698 N GLU B 95 -20.116 4.418 1.272 1.00 0.00 N ATOM 1699 CA GLU B 95 -21.013 5.532 1.008 1.00 0.00 C ATOM 1700 C GLU B 95 -21.281 5.714 -0.484 1.00 0.00 C ATOM 1701 O GLU B 95 -22.329 6.232 -0.868 1.00 0.00 O ATOM 1702 CB GLU B 95 -20.449 6.815 1.602 1.00 0.00 C ATOM 1703 CG GLU B 95 -20.293 6.742 3.106 1.00 0.00 C ATOM 1704 CD GLU B 95 -19.913 8.068 3.724 1.00 0.00 C ATOM 1705 OE1 GLU B 95 -18.721 8.439 3.673 1.00 0.00 O ATOM 1706 OE2 GLU B 95 -20.805 8.744 4.274 1.00 0.00 O1- ATOM 0 H GLU B 95 -19.201 4.687 1.634 1.00 0.00 H new ATOM 0 HA GLU B 95 -21.966 5.302 1.484 1.00 0.00 H new ATOM 0 HB2 GLU B 95 -19.480 7.025 1.150 1.00 0.00 H new ATOM 0 HB3 GLU B 95 -21.106 7.647 1.349 1.00 0.00 H new ATOM 0 HG2 GLU B 95 -21.228 6.396 3.547 1.00 0.00 H new ATOM 0 HG3 GLU B 95 -19.532 6.001 3.352 1.00 0.00 H new ATOM 1713 N LYS B 96 -20.343 5.290 -1.323 1.00 0.00 N ATOM 1714 CA LYS B 96 -20.487 5.479 -2.758 1.00 0.00 C ATOM 1715 C LYS B 96 -21.477 4.477 -3.345 1.00 0.00 C ATOM 1716 O LYS B 96 -22.431 4.860 -4.026 1.00 0.00 O ATOM 1717 CB LYS B 96 -19.121 5.386 -3.472 1.00 0.00 C ATOM 1718 CG LYS B 96 -18.639 3.979 -3.809 1.00 0.00 C ATOM 1719 CD LYS B 96 -17.300 3.994 -4.534 1.00 0.00 C ATOM 1720 CE LYS B 96 -17.407 4.677 -5.887 1.00 0.00 C ATOM 1721 NZ LYS B 96 -16.123 4.646 -6.634 1.00 0.00 N1+ ATOM 0 H LYS B 96 -19.485 4.819 -1.037 1.00 0.00 H new ATOM 0 HA LYS B 96 -20.883 6.481 -2.923 1.00 0.00 H new ATOM 0 HB2 LYS B 96 -19.176 5.961 -4.396 1.00 0.00 H new ATOM 0 HB3 LYS B 96 -18.371 5.865 -2.843 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -18.548 3.397 -2.892 1.00 0.00 H new ATOM 0 HG3 LYS B 96 -19.382 3.480 -4.431 1.00 0.00 H new ATOM 0 HD2 LYS B 96 -16.560 4.510 -3.922 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -16.946 2.972 -4.668 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -18.181 4.189 -6.478 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -17.719 5.712 -5.746 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -16.312 4.735 -7.653 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -15.522 5.436 -6.323 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -15.636 3.746 -6.449 1.00 0.00 H new ATOM 1735 N HIS B 97 -21.257 3.203 -3.073 1.00 0.00 N ATOM 1736 CA HIS B 97 -22.033 2.160 -3.724 1.00 0.00 C ATOM 1737 C HIS B 97 -22.956 1.430 -2.757 1.00 0.00 C ATOM 1738 O HIS B 97 -24.102 1.142 -3.099 1.00 0.00 O ATOM 1739 CB HIS B 97 -21.107 1.167 -4.417 1.00 0.00 C ATOM 1740 CG HIS B 97 -21.706 0.558 -5.648 1.00 0.00 C ATOM 1741 ND1 HIS B 97 -21.358 0.947 -6.921 1.00 0.00 N ATOM 1742 CD2 HIS B 97 -22.626 -0.423 -5.798 1.00 0.00 C ATOM 1743 CE1 HIS B 97 -22.034 0.234 -7.799 1.00 0.00 C ATOM 1744 NE2 HIS B 97 -22.811 -0.606 -7.145 1.00 0.00 N ATOM 0 H HIS B 97 -20.555 2.867 -2.413 1.00 0.00 H new ATOM 0 HA HIS B 97 -22.665 2.648 -4.466 1.00 0.00 H new ATOM 0 HB2 HIS B 97 -20.179 1.672 -4.685 1.00 0.00 H new ATOM 0 HB3 HIS B 97 -20.847 0.373 -3.717 1.00 0.00 H new ATOM 0 HD2 HIS B 97 -23.122 -0.962 -5.005 1.00 0.00 H new ATOM 0 HE1 HIS B 97 -21.963 0.323 -8.873 1.00 0.00 H new ATOM 0 HE2 HIS B 97 -23.446 -1.281 -7.571 1.00 0.00 H new ATOM 1753 N LEU B 98 -22.466 1.117 -1.561 1.00 0.00 N ATOM 1754 CA LEU B 98 -23.262 0.352 -0.603 1.00 0.00 C ATOM 1755 C LEU B 98 -24.395 1.202 -0.047 1.00 0.00 C ATOM 1756 O LEU B 98 -25.463 0.694 0.280 1.00 0.00 O ATOM 1757 CB LEU B 98 -22.397 -0.167 0.548 1.00 0.00 C ATOM 1758 CG LEU B 98 -21.278 -1.137 0.156 1.00 0.00 C ATOM 1759 CD1 LEU B 98 -20.495 -1.562 1.387 1.00 0.00 C ATOM 1760 CD2 LEU B 98 -21.844 -2.361 -0.546 1.00 0.00 C ATOM 0 H LEU B 98 -21.535 1.376 -1.234 1.00 0.00 H new ATOM 0 HA LEU B 98 -23.682 -0.502 -1.134 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -21.950 0.688 1.056 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -23.046 -0.663 1.270 1.00 0.00 H new ATOM 0 HG LEU B 98 -20.608 -0.622 -0.533 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -19.703 -2.251 1.094 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -20.055 -0.684 1.860 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -21.164 -2.056 2.091 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -21.031 -3.035 -0.815 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -22.536 -2.875 0.121 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -22.372 -2.052 -1.448 1.00 0.00 H new ATOM 1772 N ILE B 99 -24.144 2.494 0.075 1.00 0.00 N ATOM 1773 CA ILE B 99 -25.184 3.441 0.426 1.00 0.00 C ATOM 1774 C ILE B 99 -25.806 4.012 -0.845 1.00 0.00 C ATOM 1775 O ILE B 99 -25.178 4.805 -1.548 1.00 0.00 O ATOM 1776 CB ILE B 99 -24.635 4.585 1.308 1.00 0.00 C ATOM 1777 CG1 ILE B 99 -23.989 4.017 2.577 1.00 0.00 C ATOM 1778 CG2 ILE B 99 -25.739 5.569 1.671 1.00 0.00 C ATOM 1779 CD1 ILE B 99 -24.928 3.189 3.430 1.00 0.00 C ATOM 0 H ILE B 99 -23.224 2.911 -0.065 1.00 0.00 H new ATOM 0 HA ILE B 99 -25.944 2.914 1.002 1.00 0.00 H new ATOM 0 HB ILE B 99 -23.876 5.120 0.737 1.00 0.00 H new ATOM 0 HG12 ILE B 99 -23.135 3.402 2.293 1.00 0.00 H new ATOM 0 HG13 ILE B 99 -23.603 4.842 3.176 1.00 0.00 H new ATOM 0 HG21 ILE B 99 -25.327 6.365 2.292 1.00 0.00 H new ATOM 0 HG22 ILE B 99 -26.157 5.999 0.761 1.00 0.00 H new ATOM 0 HG23 ILE B 99 -26.524 5.049 2.221 1.00 0.00 H new ATOM 0 HD11 ILE B 99 -24.395 2.824 4.308 1.00 0.00 H new ATOM 0 HD12 ILE B 99 -25.770 3.804 3.746 1.00 0.00 H new ATOM 0 HD13 ILE B 99 -25.295 2.342 2.850 1.00 0.00 H new ATOM 1791 N PRO B 100 -27.050 3.617 -1.160 1.00 0.00 N ATOM 1792 CA PRO B 100 -27.750 4.092 -2.357 1.00 0.00 C ATOM 1793 C PRO B 100 -28.305 5.500 -2.176 1.00 0.00 C ATOM 1794 O PRO B 100 -28.971 6.043 -3.059 1.00 0.00 O ATOM 1795 CB PRO B 100 -28.887 3.084 -2.515 1.00 0.00 C ATOM 1796 CG PRO B 100 -29.177 2.624 -1.128 1.00 0.00 C ATOM 1797 CD PRO B 100 -27.867 2.661 -0.384 1.00 0.00 C ATOM 0 HA PRO B 100 -27.093 4.155 -3.224 1.00 0.00 H new ATOM 0 HB2 PRO B 100 -29.764 3.544 -2.972 1.00 0.00 H new ATOM 0 HB3 PRO B 100 -28.593 2.252 -3.155 1.00 0.00 H new ATOM 0 HG2 PRO B 100 -29.913 3.271 -0.650 1.00 0.00 H new ATOM 0 HG3 PRO B 100 -29.593 1.616 -1.132 1.00 0.00 H new ATOM 0 HD2 PRO B 100 -28.001 2.992 0.646 1.00 0.00 H new ATOM 0 HD3 PRO B 100 -27.401 1.676 -0.344 1.00 0.00 H new ATOM 1805 N LYS B 101 -28.026 6.078 -1.020 1.00 0.00 N ATOM 1806 CA LYS B 101 -28.502 7.405 -0.680 1.00 0.00 C ATOM 1807 C LYS B 101 -27.465 8.448 -1.070 1.00 0.00 C ATOM 1808 O LYS B 101 -27.663 9.129 -2.093 1.00 0.00 O ATOM 1809 CB LYS B 101 -28.797 7.486 0.818 1.00 0.00 C ATOM 1810 CG LYS B 101 -29.664 6.343 1.320 1.00 0.00 C ATOM 1811 CD LYS B 101 -29.946 6.465 2.804 1.00 0.00 C ATOM 1812 CE LYS B 101 -30.799 5.310 3.301 1.00 0.00 C ATOM 1813 NZ LYS B 101 -31.016 5.367 4.770 1.00 0.00 N1+ ATOM 1814 OXT LYS B 101 -26.441 8.568 -0.365 1.00 0.00 O ATOM 0 H LYS B 101 -27.463 5.639 -0.292 1.00 0.00 H new ATOM 0 HA LYS B 101 -29.422 7.604 -1.231 1.00 0.00 H new ATOM 0 HB2 LYS B 101 -27.856 7.488 1.368 1.00 0.00 H new ATOM 0 HB3 LYS B 101 -29.294 8.432 1.033 1.00 0.00 H new ATOM 0 HG2 LYS B 101 -30.605 6.331 0.770 1.00 0.00 H new ATOM 0 HG3 LYS B 101 -29.167 5.394 1.121 1.00 0.00 H new ATOM 0 HD2 LYS B 101 -29.005 6.488 3.354 1.00 0.00 H new ATOM 0 HD3 LYS B 101 -30.455 7.408 3.003 1.00 0.00 H new ATOM 0 HE2 LYS B 101 -31.763 5.326 2.792 1.00 0.00 H new ATOM 0 HE3 LYS B 101 -30.318 4.367 3.042 1.00 0.00 H new ATOM 0 HZ1 LYS B 101 -31.603 4.561 5.066 1.00 0.00 H new ATOM 0 HZ2 LYS B 101 -30.099 5.325 5.258 1.00 0.00 H new ATOM 0 HZ3 LYS B 101 -31.499 6.255 5.015 1.00 0.00 H new TER 1828 LYS B 101