USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 713 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 SER OG : rot 22:sc= -0.103 USER MOD Set 1.2: A 17 MET CE :methyl 137:sc= -1.08 (180deg=-5.45!) USER MOD Single : A 1 MET CE :methyl 143:sc= -3.27! (180deg=-6.17!) USER MOD Single : A 1 MET N :NH3+ -116:sc= -0.544 (180deg=-1.19) USER MOD Single : A 2 SER OG : rot -52:sc= 1.12 USER MOD Single : A 5 LYS NZ :NH3+ 167:sc= -0.0521 (180deg=-0.296) USER MOD Single : A 9 LYS NZ :NH3+ 168:sc= -0.0313 (180deg=-0.195) USER MOD Single : A 10 ASN : amide:sc= -0.629 K(o=-0.63,f=-3.1!) USER MOD Single : A 13 MET CE :methyl 143:sc= -4.58 (180deg=-7.68!) USER MOD Single : A 18 GLN : amide:sc= -4.3 K(o=-4.3,f=-12!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 CYS SG : rot 168:sc= -7.21! USER MOD Single : A 26 THR OG1 : rot 70:sc= 0.417 USER MOD Single : A 27 GLN : amide:sc= -1.16 K(o=-1.2,f=-3.5!) USER MOD Single : A 29 MET CE :methyl -107:sc= -1.25 (180deg=-2.01!) USER MOD Single : A 31 LYS NZ :NH3+ -108:sc= -0.0303 (180deg=-0.572) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.553 X(o=-0.55,f=-0.65!) USER MOD Single : A 36 LYS NZ :NH3+ 166:sc= -0.029 (180deg=-0.284) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -169:sc= 1.22 (180deg=0.859) USER MOD Single : A 44 LYS NZ :NH3+ -166:sc= -0.0358 (180deg=-0.267) USER MOD Single : A 48 LYS NZ :NH3+ -167:sc= -0.0416 (180deg=-0.259) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -1.89 K(o=-1.9,f=-2.9!) USER MOD Single : A 56 CYS SG : rot 180:sc= -2.16 USER MOD Single : A 61 ASN : amide:sc= -5! K(o=-5!,f=-0.62) USER MOD Single : A 64 SER OG : rot 21:sc= 0.528 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.401 X(o=-0.4,f=-0.11) USER MOD Single : A 70 THR OG1 : rot 71:sc= -1.51 USER MOD Single : A 71 LYS NZ :NH3+ 165:sc= -0.056 (180deg=-0.374) USER MOD Single : A 72 HIS : no HD1:sc= -0.984 K(o=-0.98,f=-0.13) USER MOD Single : A 75 TYR OH : rot 180:sc= -1.9! USER MOD Single : A 77 TYR OH : rot -60:sc= -1.48 USER MOD Single : A 80 GLN : amide:sc= -4.45! C(o=-4.5!,f=-3.8!) USER MOD Single : A 87 LYS NZ :NH3+ -171:sc= 0.998 (180deg=0.932) USER MOD Single : A 88 SER OG : rot 75:sc= 0.196 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.628 17.165 3.100 1.00 0.00 N ATOM 2 CA MET A 1 7.399 17.685 4.475 1.00 0.00 C ATOM 3 C MET A 1 6.240 16.957 5.149 1.00 0.00 C ATOM 4 O MET A 1 5.681 16.012 4.595 1.00 0.00 O ATOM 5 CB MET A 1 7.100 19.184 4.392 1.00 0.00 C ATOM 6 CG MET A 1 8.228 20.023 3.800 1.00 0.00 C ATOM 7 SD MET A 1 9.681 20.128 4.868 1.00 0.00 S ATOM 8 CE MET A 1 10.398 18.498 4.670 1.00 0.00 C ATOM 0 H1 MET A 1 8.568 16.722 3.048 1.00 0.00 H new ATOM 0 H2 MET A 1 6.900 16.459 2.870 1.00 0.00 H new ATOM 0 H3 MET A 1 7.577 17.950 2.419 1.00 0.00 H new ATOM 0 HA MET A 1 8.293 17.515 5.074 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.202 19.330 3.791 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.877 19.553 5.393 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.522 19.598 2.840 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.858 21.029 3.603 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.485 18.577 4.667 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.082 17.859 5.495 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.063 18.065 3.727 1.00 0.00 H new ATOM 20 N SER A 2 5.885 17.406 6.349 1.00 0.00 N ATOM 21 CA SER A 2 4.793 16.798 7.101 1.00 0.00 C ATOM 22 C SER A 2 5.079 15.326 7.381 1.00 0.00 C ATOM 23 O SER A 2 4.164 14.508 7.456 1.00 0.00 O ATOM 24 CB SER A 2 3.477 16.936 6.331 1.00 0.00 C ATOM 25 OG SER A 2 2.404 16.351 7.049 1.00 0.00 O ATOM 0 H SER A 2 6.338 18.189 6.821 1.00 0.00 H new ATOM 0 HA SER A 2 4.706 17.321 8.054 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.266 17.990 6.150 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.570 16.458 5.356 1.00 0.00 H new ATOM 0 HG SER A 2 2.642 15.436 7.305 1.00 0.00 H new ATOM 31 N ASP A 3 6.358 14.997 7.536 1.00 0.00 N ATOM 32 CA ASP A 3 6.770 13.624 7.810 1.00 0.00 C ATOM 33 C ASP A 3 6.384 12.699 6.660 1.00 0.00 C ATOM 34 O ASP A 3 5.293 12.130 6.647 1.00 0.00 O ATOM 35 CB ASP A 3 6.137 13.130 9.112 1.00 0.00 C ATOM 36 CG ASP A 3 6.539 13.971 10.310 1.00 0.00 C ATOM 37 OD1 ASP A 3 7.308 14.940 10.126 1.00 0.00 O ATOM 38 OD2 ASP A 3 6.087 13.662 11.431 1.00 0.00 O ATOM 0 H ASP A 3 7.128 15.663 7.476 1.00 0.00 H new ATOM 0 HA ASP A 3 7.855 13.611 7.913 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.052 13.142 9.012 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.430 12.094 9.285 1.00 0.00 H new ATOM 43 N ARG A 4 7.290 12.551 5.698 1.00 0.00 N ATOM 44 CA ARG A 4 7.048 11.691 4.544 1.00 0.00 C ATOM 45 C ARG A 4 8.160 10.658 4.400 1.00 0.00 C ATOM 46 O ARG A 4 8.638 10.391 3.297 1.00 0.00 O ATOM 47 CB ARG A 4 6.945 12.530 3.269 1.00 0.00 C ATOM 48 CG ARG A 4 8.203 13.326 2.963 1.00 0.00 C ATOM 49 CD ARG A 4 8.047 14.141 1.690 1.00 0.00 C ATOM 50 NE ARG A 4 9.247 14.918 1.386 1.00 0.00 N ATOM 51 CZ ARG A 4 9.364 15.717 0.328 1.00 0.00 C ATOM 52 NH1 ARG A 4 8.357 15.848 -0.527 1.00 0.00 N ATOM 53 NH2 ARG A 4 10.490 16.387 0.125 1.00 0.00 N ATOM 0 H ARG A 4 8.198 13.015 5.695 1.00 0.00 H new ATOM 0 HA ARG A 4 6.105 11.167 4.700 1.00 0.00 H new ATOM 0 HB2 ARG A 4 6.727 11.872 2.428 1.00 0.00 H new ATOM 0 HB3 ARG A 4 6.104 13.217 3.363 1.00 0.00 H new ATOM 0 HG2 ARG A 4 8.427 13.991 3.797 1.00 0.00 H new ATOM 0 HG3 ARG A 4 9.049 12.647 2.861 1.00 0.00 H new ATOM 0 HD2 ARG A 4 7.827 13.473 0.857 1.00 0.00 H new ATOM 0 HD3 ARG A 4 7.196 14.814 1.793 1.00 0.00 H new ATOM 0 HE ARG A 4 10.041 14.844 2.022 1.00 0.00 H new ATOM 0 HH11 ARG A 4 7.489 15.335 -0.375 1.00 0.00 H new ATOM 0 HH12 ARG A 4 8.452 16.462 -1.336 1.00 0.00 H new ATOM 0 HH21 ARG A 4 11.266 16.290 0.780 1.00 0.00 H new ATOM 0 HH22 ARG A 4 10.580 16.999 -0.686 1.00 0.00 H new ATOM 67 N LYS A 5 8.567 10.079 5.524 1.00 0.00 N ATOM 68 CA LYS A 5 9.623 9.075 5.531 1.00 0.00 C ATOM 69 C LYS A 5 9.075 7.714 5.946 1.00 0.00 C ATOM 70 O LYS A 5 9.627 7.050 6.823 1.00 0.00 O ATOM 71 CB LYS A 5 10.749 9.495 6.478 1.00 0.00 C ATOM 72 CG LYS A 5 10.300 9.662 7.921 1.00 0.00 C ATOM 73 CD LYS A 5 11.457 10.068 8.820 1.00 0.00 C ATOM 74 CE LYS A 5 11.013 10.211 10.267 1.00 0.00 C ATOM 75 NZ LYS A 5 10.464 8.938 10.809 1.00 0.00 N ATOM 0 H LYS A 5 8.180 10.289 6.444 1.00 0.00 H new ATOM 0 HA LYS A 5 10.020 8.994 4.519 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.544 8.750 6.437 1.00 0.00 H new ATOM 0 HB3 LYS A 5 11.175 10.435 6.128 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.515 10.416 7.974 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.869 8.727 8.280 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.250 9.323 8.753 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.876 11.012 8.472 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.859 10.530 10.876 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.256 10.992 10.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.379 9.009 11.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.526 8.761 10.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.103 8.154 10.567 1.00 0.00 H new ATOM 89 N ALA A 6 7.985 7.302 5.305 1.00 0.00 N ATOM 90 CA ALA A 6 7.359 6.019 5.607 1.00 0.00 C ATOM 91 C ALA A 6 6.755 6.016 7.006 1.00 0.00 C ATOM 92 O ALA A 6 7.474 5.998 8.004 1.00 0.00 O ATOM 93 CB ALA A 6 8.367 4.887 5.459 1.00 0.00 C ATOM 0 H ALA A 6 7.517 7.838 4.574 1.00 0.00 H new ATOM 0 HA ALA A 6 6.551 5.863 4.893 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.884 3.937 5.688 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.743 4.866 4.436 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.197 5.047 6.147 1.00 0.00 H new ATOM 99 N VAL A 7 5.427 6.029 7.069 1.00 0.00 N ATOM 100 CA VAL A 7 4.721 6.025 8.342 1.00 0.00 C ATOM 101 C VAL A 7 3.667 4.923 8.375 1.00 0.00 C ATOM 102 O VAL A 7 2.561 5.097 7.865 1.00 0.00 O ATOM 103 CB VAL A 7 4.036 7.380 8.607 1.00 0.00 C ATOM 104 CG1 VAL A 7 3.377 7.394 9.981 1.00 0.00 C ATOM 105 CG2 VAL A 7 5.037 8.519 8.477 1.00 0.00 C ATOM 0 H VAL A 7 4.819 6.042 6.250 1.00 0.00 H new ATOM 0 HA VAL A 7 5.463 5.843 9.119 1.00 0.00 H new ATOM 0 HB VAL A 7 3.257 7.521 7.858 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.900 8.360 10.146 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.626 6.605 10.033 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.133 7.227 10.749 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.535 9.468 8.667 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.840 8.382 9.201 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.453 8.524 7.470 1.00 0.00 H new ATOM 115 N ILE A 8 4.015 3.795 8.980 1.00 0.00 N ATOM 116 CA ILE A 8 3.092 2.670 9.077 1.00 0.00 C ATOM 117 C ILE A 8 1.900 3.021 9.962 1.00 0.00 C ATOM 118 O ILE A 8 2.066 3.421 11.115 1.00 0.00 O ATOM 119 CB ILE A 8 3.789 1.403 9.624 1.00 0.00 C ATOM 120 CG1 ILE A 8 4.830 0.885 8.625 1.00 0.00 C ATOM 121 CG2 ILE A 8 2.769 0.313 9.932 1.00 0.00 C ATOM 122 CD1 ILE A 8 5.977 1.841 8.382 1.00 0.00 C ATOM 0 H ILE A 8 4.926 3.634 9.410 1.00 0.00 H new ATOM 0 HA ILE A 8 2.740 2.458 8.067 1.00 0.00 H new ATOM 0 HB ILE A 8 4.297 1.672 10.550 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.230 -0.061 8.990 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.336 0.677 7.676 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.283 -0.568 10.315 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.064 0.676 10.680 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.230 0.051 9.021 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.670 1.403 7.664 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.590 2.780 7.986 1.00 0.00 H new ATOM 0 HD13 ILE A 8 6.498 2.030 9.321 1.00 0.00 H new ATOM 134 N LYS A 9 0.699 2.865 9.415 1.00 0.00 N ATOM 135 CA LYS A 9 -0.524 3.161 10.152 1.00 0.00 C ATOM 136 C LYS A 9 -1.126 1.877 10.714 1.00 0.00 C ATOM 137 O LYS A 9 -2.346 1.719 10.754 1.00 0.00 O ATOM 138 CB LYS A 9 -1.532 3.872 9.244 1.00 0.00 C ATOM 139 CG LYS A 9 -2.764 4.386 9.972 1.00 0.00 C ATOM 140 CD LYS A 9 -2.390 5.336 11.098 1.00 0.00 C ATOM 141 CE LYS A 9 -1.642 6.551 10.577 1.00 0.00 C ATOM 142 NZ LYS A 9 -2.454 7.330 9.603 1.00 0.00 N ATOM 0 H LYS A 9 0.546 2.535 8.462 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.280 3.822 10.983 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.036 4.710 8.754 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.847 3.184 8.459 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.418 4.897 9.266 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.326 3.544 10.376 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.292 5.658 11.618 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.772 4.812 11.827 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.365 7.193 11.414 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.715 6.230 10.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.998 8.248 9.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.525 6.802 8.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.407 7.485 9.991 1.00 0.00 H new ATOM 156 N ASN A 10 -0.248 0.964 11.135 1.00 0.00 N ATOM 157 CA ASN A 10 -0.639 -0.332 11.699 1.00 0.00 C ATOM 158 C ASN A 10 -0.629 -1.406 10.620 1.00 0.00 C ATOM 159 O ASN A 10 -1.421 -1.364 9.679 1.00 0.00 O ATOM 160 CB ASN A 10 -2.019 -0.278 12.368 1.00 0.00 C ATOM 161 CG ASN A 10 -2.354 -1.563 13.100 1.00 0.00 C ATOM 162 OD1 ASN A 10 -2.410 -2.635 12.501 1.00 0.00 O ATOM 163 ND2 ASN A 10 -2.580 -1.458 14.405 1.00 0.00 N ATOM 0 H ASN A 10 0.762 1.103 11.094 1.00 0.00 H new ATOM 0 HA ASN A 10 0.093 -0.582 12.467 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -2.048 0.555 13.070 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -2.780 -0.084 11.612 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.811 -2.288 14.951 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -2.523 -0.547 14.861 1.00 0.00 H new ATOM 170 N ALA A 11 0.280 -2.363 10.759 1.00 0.00 N ATOM 171 CA ALA A 11 0.406 -3.448 9.797 1.00 0.00 C ATOM 172 C ALA A 11 0.964 -4.700 10.460 1.00 0.00 C ATOM 173 O ALA A 11 1.931 -4.630 11.219 1.00 0.00 O ATOM 174 CB ALA A 11 1.293 -3.021 8.639 1.00 0.00 C ATOM 0 H ALA A 11 0.943 -2.409 11.533 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.587 -3.683 9.413 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.380 -3.841 7.926 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.854 -2.155 8.144 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.282 -2.761 9.015 1.00 0.00 H new ATOM 180 N ASP A 12 0.351 -5.843 10.177 1.00 0.00 N ATOM 181 CA ASP A 12 0.794 -7.104 10.759 1.00 0.00 C ATOM 182 C ASP A 12 0.914 -8.206 9.708 1.00 0.00 C ATOM 183 O ASP A 12 1.003 -9.383 10.055 1.00 0.00 O ATOM 184 CB ASP A 12 -0.175 -7.549 11.857 1.00 0.00 C ATOM 185 CG ASP A 12 -0.233 -6.576 13.020 1.00 0.00 C ATOM 186 OD1 ASP A 12 0.505 -5.568 12.993 1.00 0.00 O ATOM 187 OD2 ASP A 12 -1.014 -6.824 13.962 1.00 0.00 O ATOM 0 H ASP A 12 -0.450 -5.923 9.551 1.00 0.00 H new ATOM 0 HA ASP A 12 1.783 -6.935 11.185 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.173 -7.660 11.432 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.126 -8.530 12.225 1.00 0.00 H new ATOM 192 N MET A 13 0.917 -7.837 8.426 1.00 0.00 N ATOM 193 CA MET A 13 1.028 -8.841 7.369 1.00 0.00 C ATOM 194 C MET A 13 2.449 -8.917 6.820 1.00 0.00 C ATOM 195 O MET A 13 2.766 -8.301 5.801 1.00 0.00 O ATOM 196 CB MET A 13 0.040 -8.556 6.236 1.00 0.00 C ATOM 197 CG MET A 13 0.100 -9.571 5.110 1.00 0.00 C ATOM 198 SD MET A 13 -1.116 -9.240 3.823 1.00 0.00 S ATOM 199 CE MET A 13 -0.758 -7.523 3.455 1.00 0.00 C ATOM 0 H MET A 13 0.846 -6.873 8.100 1.00 0.00 H new ATOM 0 HA MET A 13 0.782 -9.806 7.812 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.971 -8.536 6.643 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.240 -7.564 5.831 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.098 -9.566 4.673 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.066 -10.569 5.515 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.873 -7.348 2.385 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.448 -6.882 4.004 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.265 -7.293 3.752 1.00 0.00 H new ATOM 209 N SER A 14 3.299 -9.685 7.502 1.00 0.00 N ATOM 210 CA SER A 14 4.685 -9.865 7.093 1.00 0.00 C ATOM 211 C SER A 14 5.394 -8.528 6.914 1.00 0.00 C ATOM 212 O SER A 14 5.251 -7.867 5.887 1.00 0.00 O ATOM 213 CB SER A 14 4.761 -10.679 5.797 1.00 0.00 C ATOM 214 OG SER A 14 4.041 -10.054 4.748 1.00 0.00 O ATOM 0 H SER A 14 3.045 -10.195 8.348 1.00 0.00 H new ATOM 0 HA SER A 14 5.193 -10.412 7.887 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.804 -10.800 5.503 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.361 -11.678 5.970 1.00 0.00 H new ATOM 0 HG SER A 14 3.939 -9.099 4.945 1.00 0.00 H new ATOM 220 N GLU A 15 6.162 -8.144 7.927 1.00 0.00 N ATOM 221 CA GLU A 15 6.915 -6.889 7.910 1.00 0.00 C ATOM 222 C GLU A 15 7.591 -6.665 6.553 1.00 0.00 C ATOM 223 O GLU A 15 7.762 -5.525 6.095 1.00 0.00 O ATOM 224 CB GLU A 15 7.969 -6.892 9.018 1.00 0.00 C ATOM 225 CG GLU A 15 7.384 -7.041 10.413 1.00 0.00 C ATOM 226 CD GLU A 15 6.429 -5.919 10.768 1.00 0.00 C ATOM 227 OE1 GLU A 15 6.865 -4.749 10.776 1.00 0.00 O ATOM 228 OE2 GLU A 15 5.243 -6.209 11.034 1.00 0.00 O ATOM 0 H GLU A 15 6.282 -8.689 8.781 1.00 0.00 H new ATOM 0 HA GLU A 15 6.211 -6.074 8.081 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.671 -7.706 8.838 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.538 -5.964 8.969 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.861 -7.994 10.483 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.194 -7.068 11.142 1.00 0.00 H new ATOM 235 N ASP A 16 7.971 -7.762 5.908 1.00 0.00 N ATOM 236 CA ASP A 16 8.618 -7.694 4.607 1.00 0.00 C ATOM 237 C ASP A 16 7.773 -6.874 3.636 1.00 0.00 C ATOM 238 O ASP A 16 8.295 -6.266 2.702 1.00 0.00 O ATOM 239 CB ASP A 16 8.841 -9.103 4.051 1.00 0.00 C ATOM 240 CG ASP A 16 9.621 -9.102 2.751 1.00 0.00 C ATOM 241 OD1 ASP A 16 10.026 -8.011 2.301 1.00 0.00 O ATOM 242 OD2 ASP A 16 9.830 -10.196 2.184 1.00 0.00 O ATOM 0 H ASP A 16 7.841 -8.708 6.266 1.00 0.00 H new ATOM 0 HA ASP A 16 9.586 -7.206 4.726 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.375 -9.700 4.790 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.876 -9.583 3.890 1.00 0.00 H new ATOM 247 N MET A 17 6.465 -6.852 3.873 1.00 0.00 N ATOM 248 CA MET A 17 5.551 -6.097 3.029 1.00 0.00 C ATOM 249 C MET A 17 5.568 -4.623 3.395 1.00 0.00 C ATOM 250 O MET A 17 5.223 -3.777 2.575 1.00 0.00 O ATOM 251 CB MET A 17 4.132 -6.661 3.115 1.00 0.00 C ATOM 252 CG MET A 17 4.009 -8.053 2.518 1.00 0.00 C ATOM 253 SD MET A 17 2.322 -8.682 2.543 1.00 0.00 S ATOM 254 CE MET A 17 2.557 -10.303 1.821 1.00 0.00 C ATOM 0 H MET A 17 6.016 -7.349 4.643 1.00 0.00 H new ATOM 0 HA MET A 17 5.890 -6.194 1.998 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.822 -6.691 4.159 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.448 -5.988 2.598 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.369 -8.034 1.489 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.654 -8.737 3.069 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.979 -11.038 2.381 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.222 -10.291 0.784 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.614 -10.568 1.858 1.00 0.00 H new ATOM 264 N GLN A 18 6.005 -4.299 4.608 1.00 0.00 N ATOM 265 CA GLN A 18 6.091 -2.902 4.995 1.00 0.00 C ATOM 266 C GLN A 18 7.210 -2.276 4.185 1.00 0.00 C ATOM 267 O GLN A 18 7.084 -1.170 3.663 1.00 0.00 O ATOM 268 CB GLN A 18 6.388 -2.727 6.488 1.00 0.00 C ATOM 269 CG GLN A 18 5.724 -3.750 7.391 1.00 0.00 C ATOM 270 CD GLN A 18 4.264 -3.983 7.069 1.00 0.00 C ATOM 271 OE1 GLN A 18 3.476 -3.043 6.980 1.00 0.00 O ATOM 272 NE2 GLN A 18 3.899 -5.252 6.907 1.00 0.00 N ATOM 0 H GLN A 18 6.297 -4.967 5.321 1.00 0.00 H new ATOM 0 HA GLN A 18 5.131 -2.423 4.804 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.467 -2.776 6.638 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.068 -1.731 6.794 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.261 -4.695 7.312 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.811 -3.420 8.426 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.591 -5.996 6.991 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.927 -5.480 6.699 1.00 0.00 H new ATOM 281 N GLN A 19 8.307 -3.022 4.072 1.00 0.00 N ATOM 282 CA GLN A 19 9.466 -2.569 3.314 1.00 0.00 C ATOM 283 C GLN A 19 9.193 -2.597 1.813 1.00 0.00 C ATOM 284 O GLN A 19 9.573 -1.675 1.087 1.00 0.00 O ATOM 285 CB GLN A 19 10.685 -3.434 3.639 1.00 0.00 C ATOM 286 CG GLN A 19 11.082 -3.399 5.105 1.00 0.00 C ATOM 287 CD GLN A 19 12.291 -4.265 5.403 1.00 0.00 C ATOM 288 OE1 GLN A 19 13.371 -4.053 4.852 1.00 0.00 O ATOM 289 NE2 GLN A 19 12.114 -5.249 6.277 1.00 0.00 N ATOM 0 H GLN A 19 8.415 -3.943 4.497 1.00 0.00 H new ATOM 0 HA GLN A 19 9.670 -1.538 3.603 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.476 -4.465 3.352 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.528 -3.100 3.035 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.296 -2.370 5.395 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.242 -3.733 5.713 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.201 -5.388 6.710 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.891 -5.865 6.515 1.00 0.00 H new ATOM 298 N ASP A 20 8.530 -3.651 1.351 1.00 0.00 N ATOM 299 CA ASP A 20 8.212 -3.787 -0.067 1.00 0.00 C ATOM 300 C ASP A 20 7.113 -2.817 -0.478 1.00 0.00 C ATOM 301 O ASP A 20 7.259 -2.077 -1.449 1.00 0.00 O ATOM 302 CB ASP A 20 7.795 -5.223 -0.389 1.00 0.00 C ATOM 303 CG ASP A 20 8.967 -6.184 -0.359 1.00 0.00 C ATOM 304 OD1 ASP A 20 9.663 -6.239 0.674 1.00 0.00 O ATOM 305 OD2 ASP A 20 9.189 -6.880 -1.373 1.00 0.00 O ATOM 0 H ASP A 20 8.203 -4.421 1.934 1.00 0.00 H new ATOM 0 HA ASP A 20 9.110 -3.546 -0.635 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.042 -5.550 0.328 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.330 -5.251 -1.374 1.00 0.00 H new ATOM 310 N ALA A 21 6.014 -2.823 0.264 1.00 0.00 N ATOM 311 CA ALA A 21 4.891 -1.938 -0.026 1.00 0.00 C ATOM 312 C ALA A 21 5.344 -0.484 -0.100 1.00 0.00 C ATOM 313 O ALA A 21 4.979 0.240 -1.025 1.00 0.00 O ATOM 314 CB ALA A 21 3.799 -2.103 1.022 1.00 0.00 C ATOM 0 H ALA A 21 5.875 -3.430 1.072 1.00 0.00 H new ATOM 0 HA ALA A 21 4.485 -2.215 -0.999 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.969 -1.436 0.791 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.447 -3.134 1.021 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.199 -1.857 2.006 1.00 0.00 H new ATOM 320 N VAL A 22 6.148 -0.063 0.873 1.00 0.00 N ATOM 321 CA VAL A 22 6.652 1.306 0.899 1.00 0.00 C ATOM 322 C VAL A 22 7.462 1.605 -0.359 1.00 0.00 C ATOM 323 O VAL A 22 7.123 2.508 -1.125 1.00 0.00 O ATOM 324 CB VAL A 22 7.516 1.574 2.149 1.00 0.00 C ATOM 325 CG1 VAL A 22 8.153 2.957 2.085 1.00 0.00 C ATOM 326 CG2 VAL A 22 6.679 1.434 3.412 1.00 0.00 C ATOM 0 H VAL A 22 6.462 -0.646 1.649 1.00 0.00 H new ATOM 0 HA VAL A 22 5.786 1.967 0.936 1.00 0.00 H new ATOM 0 HB VAL A 22 8.315 0.833 2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.757 3.121 2.978 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.787 3.025 1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.372 3.715 2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.303 1.626 4.285 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.859 2.152 3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.275 0.423 3.470 1.00 0.00 H new ATOM 336 N ASP A 23 8.528 0.839 -0.575 1.00 0.00 N ATOM 337 CA ASP A 23 9.369 1.028 -1.752 1.00 0.00 C ATOM 338 C ASP A 23 8.575 0.776 -3.023 1.00 0.00 C ATOM 339 O ASP A 23 8.911 1.293 -4.087 1.00 0.00 O ATOM 340 CB ASP A 23 10.590 0.109 -1.696 1.00 0.00 C ATOM 341 CG ASP A 23 11.466 0.381 -0.490 1.00 0.00 C ATOM 342 OD1 ASP A 23 11.961 1.520 -0.360 1.00 0.00 O ATOM 343 OD2 ASP A 23 11.656 -0.546 0.326 1.00 0.00 O ATOM 0 H ASP A 23 8.828 0.087 0.045 1.00 0.00 H new ATOM 0 HA ASP A 23 9.715 2.061 -1.760 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.259 -0.929 -1.674 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.178 0.236 -2.605 1.00 0.00 H new ATOM 348 N CYS A 24 7.507 -0.003 -2.908 1.00 0.00 N ATOM 349 CA CYS A 24 6.661 -0.288 -4.052 1.00 0.00 C ATOM 350 C CYS A 24 5.873 0.962 -4.416 1.00 0.00 C ATOM 351 O CYS A 24 5.611 1.229 -5.588 1.00 0.00 O ATOM 352 CB CYS A 24 5.713 -1.449 -3.744 1.00 0.00 C ATOM 353 SG CYS A 24 4.690 -1.956 -5.143 1.00 0.00 S ATOM 0 H CYS A 24 7.210 -0.445 -2.038 1.00 0.00 H new ATOM 0 HA CYS A 24 7.285 -0.580 -4.897 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.300 -2.304 -3.408 1.00 0.00 H new ATOM 0 HB3 CYS A 24 5.063 -1.164 -2.917 1.00 0.00 H new ATOM 0 HG CYS A 24 4.116 -3.090 -4.872 1.00 0.00 H new ATOM 359 N ALA A 25 5.528 1.739 -3.394 1.00 0.00 N ATOM 360 CA ALA A 25 4.802 2.984 -3.592 1.00 0.00 C ATOM 361 C ALA A 25 5.769 4.107 -3.952 1.00 0.00 C ATOM 362 O ALA A 25 5.374 5.117 -4.535 1.00 0.00 O ATOM 363 CB ALA A 25 4.010 3.341 -2.344 1.00 0.00 C ATOM 0 H ALA A 25 5.741 1.526 -2.420 1.00 0.00 H new ATOM 0 HA ALA A 25 4.102 2.852 -4.417 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.473 4.275 -2.509 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.297 2.546 -2.126 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.692 3.458 -1.502 1.00 0.00 H new ATOM 369 N THR A 26 7.045 3.919 -3.611 1.00 0.00 N ATOM 370 CA THR A 26 8.068 4.909 -3.911 1.00 0.00 C ATOM 371 C THR A 26 8.574 4.720 -5.334 1.00 0.00 C ATOM 372 O THR A 26 8.750 5.685 -6.077 1.00 0.00 O ATOM 373 CB THR A 26 9.229 4.793 -2.920 1.00 0.00 C ATOM 374 OG1 THR A 26 8.774 4.985 -1.592 1.00 0.00 O ATOM 375 CG2 THR A 26 10.336 5.794 -3.175 1.00 0.00 C ATOM 0 H THR A 26 7.389 3.090 -3.128 1.00 0.00 H new ATOM 0 HA THR A 26 7.630 5.903 -3.819 1.00 0.00 H new ATOM 0 HB THR A 26 9.630 3.789 -3.060 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.227 4.219 -1.320 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.127 5.657 -2.438 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.742 5.641 -4.175 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.937 6.805 -3.096 1.00 0.00 H new ATOM 383 N GLN A 27 8.786 3.462 -5.713 1.00 0.00 N ATOM 384 CA GLN A 27 9.254 3.140 -7.055 1.00 0.00 C ATOM 385 C GLN A 27 8.112 3.247 -8.056 1.00 0.00 C ATOM 386 O GLN A 27 8.330 3.550 -9.230 1.00 0.00 O ATOM 387 CB GLN A 27 9.852 1.732 -7.090 1.00 0.00 C ATOM 388 CG GLN A 27 11.070 1.561 -6.196 1.00 0.00 C ATOM 389 CD GLN A 27 12.218 2.470 -6.590 1.00 0.00 C ATOM 390 OE1 GLN A 27 12.091 3.693 -6.573 1.00 0.00 O ATOM 391 NE2 GLN A 27 13.349 1.872 -6.948 1.00 0.00 N ATOM 0 H GLN A 27 8.641 2.652 -5.110 1.00 0.00 H new ATOM 0 HA GLN A 27 10.029 3.856 -7.329 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.088 1.015 -6.789 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.129 1.490 -8.116 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.789 1.765 -5.163 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.403 0.524 -6.237 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.410 0.854 -6.947 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.156 2.431 -7.223 1.00 0.00 H new ATOM 400 N ALA A 28 6.892 3.010 -7.586 1.00 0.00 N ATOM 401 CA ALA A 28 5.720 3.094 -8.446 1.00 0.00 C ATOM 402 C ALA A 28 5.336 4.550 -8.682 1.00 0.00 C ATOM 403 O ALA A 28 5.098 4.964 -9.815 1.00 0.00 O ATOM 404 CB ALA A 28 4.556 2.322 -7.843 1.00 0.00 C ATOM 0 H ALA A 28 6.691 2.759 -6.618 1.00 0.00 H new ATOM 0 HA ALA A 28 5.965 2.643 -9.408 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.690 2.397 -8.501 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.835 1.275 -7.728 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.308 2.741 -6.868 1.00 0.00 H new ATOM 410 N MET A 29 5.291 5.327 -7.603 1.00 0.00 N ATOM 411 CA MET A 29 4.951 6.741 -7.696 1.00 0.00 C ATOM 412 C MET A 29 6.075 7.522 -8.369 1.00 0.00 C ATOM 413 O MET A 29 5.840 8.565 -8.980 1.00 0.00 O ATOM 414 CB MET A 29 4.674 7.318 -6.306 1.00 0.00 C ATOM 415 CG MET A 29 3.431 6.750 -5.644 1.00 0.00 C ATOM 416 SD MET A 29 1.922 7.165 -6.539 1.00 0.00 S ATOM 417 CE MET A 29 0.690 6.376 -5.506 1.00 0.00 C ATOM 0 H MET A 29 5.486 5.001 -6.656 1.00 0.00 H new ATOM 0 HA MET A 29 4.050 6.834 -8.302 1.00 0.00 H new ATOM 0 HB2 MET A 29 5.535 7.127 -5.665 1.00 0.00 H new ATOM 0 HB3 MET A 29 4.570 8.400 -6.386 1.00 0.00 H new ATOM 0 HG2 MET A 29 3.523 5.666 -5.576 1.00 0.00 H new ATOM 0 HG3 MET A 29 3.361 7.129 -4.624 1.00 0.00 H new ATOM 0 HE1 MET A 29 0.309 5.487 -6.008 1.00 0.00 H new ATOM 0 HE2 MET A 29 1.141 6.091 -4.555 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.131 7.070 -5.325 1.00 0.00 H new ATOM 427 N GLU A 30 7.294 7.007 -8.258 1.00 0.00 N ATOM 428 CA GLU A 30 8.452 7.653 -8.861 1.00 0.00 C ATOM 429 C GLU A 30 8.512 7.342 -10.351 1.00 0.00 C ATOM 430 O GLU A 30 8.670 8.241 -11.178 1.00 0.00 O ATOM 431 CB GLU A 30 9.738 7.189 -8.175 1.00 0.00 C ATOM 432 CG GLU A 30 10.999 7.807 -8.757 1.00 0.00 C ATOM 433 CD GLU A 30 11.017 9.319 -8.637 1.00 0.00 C ATOM 434 OE1 GLU A 30 10.116 9.971 -9.205 1.00 0.00 O ATOM 435 OE2 GLU A 30 11.933 9.851 -7.974 1.00 0.00 O ATOM 0 H GLU A 30 7.505 6.144 -7.756 1.00 0.00 H new ATOM 0 HA GLU A 30 8.355 8.731 -8.730 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.681 7.432 -7.114 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.808 6.104 -8.250 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.870 7.395 -8.247 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.084 7.529 -9.807 1.00 0.00 H new ATOM 442 N LYS A 31 8.381 6.063 -10.685 1.00 0.00 N ATOM 443 CA LYS A 31 8.417 5.630 -12.077 1.00 0.00 C ATOM 444 C LYS A 31 7.082 5.891 -12.775 1.00 0.00 C ATOM 445 O LYS A 31 7.025 5.972 -14.003 1.00 0.00 O ATOM 446 CB LYS A 31 8.774 4.146 -12.167 1.00 0.00 C ATOM 447 CG LYS A 31 10.178 3.827 -11.677 1.00 0.00 C ATOM 448 CD LYS A 31 10.495 2.348 -11.819 1.00 0.00 C ATOM 449 CE LYS A 31 11.927 2.044 -11.408 1.00 0.00 C ATOM 450 NZ LYS A 31 12.192 2.416 -9.991 1.00 0.00 N ATOM 0 H LYS A 31 8.249 5.308 -10.011 1.00 0.00 H new ATOM 0 HA LYS A 31 9.186 6.212 -12.585 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.055 3.572 -11.583 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.677 3.820 -13.202 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.903 4.412 -12.243 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.276 4.122 -10.632 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.808 1.767 -11.204 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.338 2.039 -12.852 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.126 0.981 -11.547 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.614 2.585 -12.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.799 3.260 -9.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.292 2.620 -9.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.670 1.628 -9.509 1.00 0.00 H new ATOM 464 N TYR A 32 6.010 6.027 -11.995 1.00 0.00 N ATOM 465 CA TYR A 32 4.689 6.281 -12.563 1.00 0.00 C ATOM 466 C TYR A 32 3.987 7.421 -11.831 1.00 0.00 C ATOM 467 O TYR A 32 4.236 7.660 -10.649 1.00 0.00 O ATOM 468 CB TYR A 32 3.826 5.016 -12.507 1.00 0.00 C ATOM 469 CG TYR A 32 4.411 3.844 -13.262 1.00 0.00 C ATOM 470 CD1 TYR A 32 5.624 3.285 -12.881 1.00 0.00 C ATOM 471 CD2 TYR A 32 3.750 3.299 -14.354 1.00 0.00 C ATOM 472 CE1 TYR A 32 6.163 2.213 -13.569 1.00 0.00 C ATOM 473 CE2 TYR A 32 4.281 2.227 -15.047 1.00 0.00 C ATOM 474 CZ TYR A 32 5.486 1.689 -14.651 1.00 0.00 C ATOM 475 OH TYR A 32 6.019 0.622 -15.339 1.00 0.00 O ATOM 0 H TYR A 32 6.030 5.966 -10.977 1.00 0.00 H new ATOM 0 HA TYR A 32 4.825 6.571 -13.605 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.684 4.730 -11.465 1.00 0.00 H new ATOM 0 HB3 TYR A 32 2.840 5.242 -12.913 1.00 0.00 H new ATOM 0 HD1 TYR A 32 6.155 3.694 -12.034 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.806 3.719 -14.667 1.00 0.00 H new ATOM 0 HE1 TYR A 32 7.107 1.789 -13.261 1.00 0.00 H new ATOM 0 HE2 TYR A 32 3.754 1.814 -15.894 1.00 0.00 H new ATOM 0 HH TYR A 32 5.419 0.373 -16.072 1.00 0.00 H new ATOM 485 N ASN A 33 3.109 8.122 -12.543 1.00 0.00 N ATOM 486 CA ASN A 33 2.370 9.238 -11.963 1.00 0.00 C ATOM 487 C ASN A 33 0.932 9.266 -12.472 1.00 0.00 C ATOM 488 O ASN A 33 0.323 10.330 -12.579 1.00 0.00 O ATOM 489 CB ASN A 33 3.065 10.561 -12.288 1.00 0.00 C ATOM 490 CG ASN A 33 3.168 10.808 -13.781 1.00 0.00 C ATOM 491 OD1 ASN A 33 2.157 10.878 -14.481 1.00 0.00 O ATOM 492 ND2 ASN A 33 4.392 10.941 -14.275 1.00 0.00 N ATOM 0 H ASN A 33 2.892 7.937 -13.522 1.00 0.00 H new ATOM 0 HA ASN A 33 2.349 9.102 -10.882 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.516 11.380 -11.824 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.064 10.560 -11.853 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.524 11.109 -15.272 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.201 10.876 -13.657 1.00 0.00 H new ATOM 499 N ILE A 34 0.394 8.091 -12.785 1.00 0.00 N ATOM 500 CA ILE A 34 -0.973 7.984 -13.283 1.00 0.00 C ATOM 501 C ILE A 34 -1.970 7.857 -12.135 1.00 0.00 C ATOM 502 O ILE A 34 -3.167 8.073 -12.318 1.00 0.00 O ATOM 503 CB ILE A 34 -1.137 6.770 -14.219 1.00 0.00 C ATOM 504 CG1 ILE A 34 -0.091 6.819 -15.333 1.00 0.00 C ATOM 505 CG2 ILE A 34 -2.541 6.736 -14.805 1.00 0.00 C ATOM 506 CD1 ILE A 34 -0.210 5.683 -16.326 1.00 0.00 C ATOM 0 H ILE A 34 0.884 7.200 -12.703 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.176 8.898 -13.841 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.986 5.859 -13.640 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.183 7.766 -15.865 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.904 6.798 -14.887 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.640 5.873 -15.463 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.270 6.662 -13.998 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.720 7.648 -15.374 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.564 5.783 -17.087 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.088 4.732 -15.807 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.191 5.715 -16.800 1.00 0.00 H new ATOM 518 N GLU A 35 -1.467 7.503 -10.952 1.00 0.00 N ATOM 519 CA GLU A 35 -2.301 7.341 -9.761 1.00 0.00 C ATOM 520 C GLU A 35 -3.075 6.024 -9.797 1.00 0.00 C ATOM 521 O GLU A 35 -3.026 5.243 -8.846 1.00 0.00 O ATOM 522 CB GLU A 35 -3.277 8.515 -9.609 1.00 0.00 C ATOM 523 CG GLU A 35 -2.594 9.872 -9.579 1.00 0.00 C ATOM 524 CD GLU A 35 -1.616 10.007 -8.429 1.00 0.00 C ATOM 525 OE1 GLU A 35 -2.050 9.892 -7.263 1.00 0.00 O ATOM 526 OE2 GLU A 35 -0.415 10.226 -8.693 1.00 0.00 O ATOM 0 H GLU A 35 -0.476 7.321 -10.793 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.633 7.325 -8.900 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.989 8.494 -10.434 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.849 8.385 -8.690 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.067 10.030 -10.520 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.350 10.653 -9.502 1.00 0.00 H new ATOM 533 N LYS A 36 -3.795 5.782 -10.889 1.00 0.00 N ATOM 534 CA LYS A 36 -4.583 4.563 -11.031 1.00 0.00 C ATOM 535 C LYS A 36 -3.720 3.394 -11.491 1.00 0.00 C ATOM 536 O LYS A 36 -3.726 2.328 -10.876 1.00 0.00 O ATOM 537 CB LYS A 36 -5.727 4.783 -12.021 1.00 0.00 C ATOM 538 CG LYS A 36 -6.663 5.915 -11.628 1.00 0.00 C ATOM 539 CD LYS A 36 -7.761 6.109 -12.662 1.00 0.00 C ATOM 540 CE LYS A 36 -8.690 7.252 -12.281 1.00 0.00 C ATOM 541 NZ LYS A 36 -7.960 8.544 -12.169 1.00 0.00 N ATOM 0 H LYS A 36 -3.849 6.414 -11.688 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.995 4.319 -10.052 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.309 4.994 -13.005 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.302 3.861 -12.109 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.109 5.700 -10.657 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.095 6.839 -11.520 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.314 6.311 -13.635 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.336 5.188 -12.760 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.479 7.344 -13.028 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.175 7.025 -11.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.643 9.328 -12.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.396 8.549 -11.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.330 8.659 -12.989 1.00 0.00 H new ATOM 555 N ASP A 37 -2.978 3.595 -12.575 1.00 0.00 N ATOM 556 CA ASP A 37 -2.113 2.550 -13.107 1.00 0.00 C ATOM 557 C ASP A 37 -1.068 2.149 -12.074 1.00 0.00 C ATOM 558 O ASP A 37 -0.595 1.013 -12.058 1.00 0.00 O ATOM 559 CB ASP A 37 -1.430 3.025 -14.391 1.00 0.00 C ATOM 560 CG ASP A 37 -0.537 1.962 -15.002 1.00 0.00 C ATOM 561 OD1 ASP A 37 -1.052 0.876 -15.341 1.00 0.00 O ATOM 562 OD2 ASP A 37 0.679 2.215 -15.139 1.00 0.00 O ATOM 0 H ASP A 37 -2.959 4.469 -13.100 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.727 1.680 -13.339 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.190 3.317 -15.116 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.836 3.914 -14.176 1.00 0.00 H new ATOM 567 N ILE A 38 -0.712 3.096 -11.215 1.00 0.00 N ATOM 568 CA ILE A 38 0.275 2.857 -10.177 1.00 0.00 C ATOM 569 C ILE A 38 -0.245 1.863 -9.145 1.00 0.00 C ATOM 570 O ILE A 38 0.437 0.897 -8.803 1.00 0.00 O ATOM 571 CB ILE A 38 0.660 4.171 -9.476 1.00 0.00 C ATOM 572 CG1 ILE A 38 1.002 5.232 -10.525 1.00 0.00 C ATOM 573 CG2 ILE A 38 1.828 3.944 -8.527 1.00 0.00 C ATOM 574 CD1 ILE A 38 1.629 6.485 -9.952 1.00 0.00 C ATOM 0 H ILE A 38 -1.096 4.041 -11.220 1.00 0.00 H new ATOM 0 HA ILE A 38 1.159 2.436 -10.656 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.185 4.525 -8.886 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.684 4.798 -11.256 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.093 5.505 -11.060 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.088 4.883 -8.039 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.547 3.209 -7.773 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.687 3.577 -9.089 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.841 7.187 -10.758 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.941 6.945 -9.243 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.557 6.227 -9.442 1.00 0.00 H new ATOM 586 N ALA A 39 -1.461 2.095 -8.655 1.00 0.00 N ATOM 587 CA ALA A 39 -2.064 1.206 -7.667 1.00 0.00 C ATOM 588 C ALA A 39 -2.148 -0.221 -8.199 1.00 0.00 C ATOM 589 O ALA A 39 -2.130 -1.182 -7.430 1.00 0.00 O ATOM 590 CB ALA A 39 -3.442 1.711 -7.272 1.00 0.00 C ATOM 0 H ALA A 39 -2.045 2.887 -8.925 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.429 1.199 -6.781 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.879 1.037 -6.535 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.355 2.710 -6.844 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.082 1.748 -8.153 1.00 0.00 H new ATOM 596 N ALA A 40 -2.232 -0.351 -9.520 1.00 0.00 N ATOM 597 CA ALA A 40 -2.308 -1.663 -10.150 1.00 0.00 C ATOM 598 C ALA A 40 -0.928 -2.292 -10.242 1.00 0.00 C ATOM 599 O ALA A 40 -0.781 -3.501 -10.094 1.00 0.00 O ATOM 600 CB ALA A 40 -2.944 -1.556 -11.530 1.00 0.00 C ATOM 0 H ALA A 40 -2.249 0.433 -10.172 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.935 -2.306 -9.533 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.993 -2.545 -11.986 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.951 -1.150 -11.436 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.344 -0.897 -12.157 1.00 0.00 H new ATOM 606 N TYR A 41 0.082 -1.469 -10.468 1.00 0.00 N ATOM 607 CA TYR A 41 1.446 -1.962 -10.555 1.00 0.00 C ATOM 608 C TYR A 41 1.901 -2.474 -9.195 1.00 0.00 C ATOM 609 O TYR A 41 2.750 -3.360 -9.103 1.00 0.00 O ATOM 610 CB TYR A 41 2.388 -0.865 -11.053 1.00 0.00 C ATOM 611 CG TYR A 41 3.827 -1.314 -11.186 1.00 0.00 C ATOM 612 CD1 TYR A 41 4.172 -2.356 -12.034 1.00 0.00 C ATOM 613 CD2 TYR A 41 4.837 -0.693 -10.462 1.00 0.00 C ATOM 614 CE1 TYR A 41 5.486 -2.770 -12.158 1.00 0.00 C ATOM 615 CE2 TYR A 41 6.153 -1.100 -10.581 1.00 0.00 C ATOM 616 CZ TYR A 41 6.471 -2.138 -11.430 1.00 0.00 C ATOM 617 OH TYR A 41 7.779 -2.545 -11.552 1.00 0.00 O ATOM 0 H TYR A 41 -0.016 -0.462 -10.594 1.00 0.00 H new ATOM 0 HA TYR A 41 1.473 -2.784 -11.271 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.037 -0.509 -12.021 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.342 -0.020 -10.366 1.00 0.00 H new ATOM 0 HD1 TYR A 41 3.402 -2.852 -12.607 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.590 0.120 -9.796 1.00 0.00 H new ATOM 0 HE1 TYR A 41 5.739 -3.584 -12.821 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.927 -0.607 -10.012 1.00 0.00 H new ATOM 0 HH TYR A 41 8.348 -1.996 -10.973 1.00 0.00 H new ATOM 627 N ILE A 42 1.309 -1.927 -8.138 1.00 0.00 N ATOM 628 CA ILE A 42 1.634 -2.341 -6.783 1.00 0.00 C ATOM 629 C ILE A 42 0.901 -3.633 -6.462 1.00 0.00 C ATOM 630 O ILE A 42 1.504 -4.622 -6.038 1.00 0.00 O ATOM 631 CB ILE A 42 1.250 -1.257 -5.756 1.00 0.00 C ATOM 632 CG1 ILE A 42 1.954 0.059 -6.093 1.00 0.00 C ATOM 633 CG2 ILE A 42 1.600 -1.706 -4.343 1.00 0.00 C ATOM 634 CD1 ILE A 42 1.486 1.226 -5.252 1.00 0.00 C ATOM 0 H ILE A 42 0.601 -1.195 -8.197 1.00 0.00 H new ATOM 0 HA ILE A 42 2.711 -2.496 -6.721 1.00 0.00 H new ATOM 0 HB ILE A 42 0.173 -1.099 -5.803 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.028 -0.068 -5.958 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.790 0.291 -7.145 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.321 -0.927 -3.634 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.058 -2.622 -4.108 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.672 -1.891 -4.275 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.027 2.126 -5.545 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.418 1.379 -5.405 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.675 1.015 -4.200 1.00 0.00 H new ATOM 646 N LYS A 43 -0.406 -3.623 -6.699 1.00 0.00 N ATOM 647 CA LYS A 43 -1.228 -4.796 -6.468 1.00 0.00 C ATOM 648 C LYS A 43 -0.746 -5.935 -7.356 1.00 0.00 C ATOM 649 O LYS A 43 -0.751 -7.098 -6.953 1.00 0.00 O ATOM 650 CB LYS A 43 -2.698 -4.489 -6.761 1.00 0.00 C ATOM 651 CG LYS A 43 -3.615 -5.691 -6.605 1.00 0.00 C ATOM 652 CD LYS A 43 -5.055 -5.341 -6.940 1.00 0.00 C ATOM 653 CE LYS A 43 -5.961 -6.558 -6.836 1.00 0.00 C ATOM 654 NZ LYS A 43 -5.549 -7.641 -7.774 1.00 0.00 N ATOM 0 H LYS A 43 -0.916 -2.813 -7.051 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.141 -5.088 -5.422 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.035 -3.697 -6.093 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.785 -4.106 -7.778 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.275 -6.496 -7.256 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.558 -6.063 -5.582 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.409 -4.563 -6.263 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.106 -4.933 -7.949 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.944 -6.937 -5.814 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.989 -6.265 -7.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.290 -8.370 -7.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.409 -7.243 -8.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.660 -8.067 -7.443 1.00 0.00 H new ATOM 668 N LYS A 44 -0.312 -5.587 -8.566 1.00 0.00 N ATOM 669 CA LYS A 44 0.189 -6.586 -9.502 1.00 0.00 C ATOM 670 C LYS A 44 1.444 -7.260 -8.956 1.00 0.00 C ATOM 671 O LYS A 44 1.517 -8.487 -8.891 1.00 0.00 O ATOM 672 CB LYS A 44 0.475 -5.958 -10.869 1.00 0.00 C ATOM 673 CG LYS A 44 -0.772 -5.745 -11.714 1.00 0.00 C ATOM 674 CD LYS A 44 -0.448 -5.025 -13.013 1.00 0.00 C ATOM 675 CE LYS A 44 -1.693 -4.818 -13.860 1.00 0.00 C ATOM 676 NZ LYS A 44 -2.338 -6.108 -14.227 1.00 0.00 N ATOM 0 H LYS A 44 -0.298 -4.629 -8.917 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.584 -7.345 -9.626 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.972 -4.999 -10.722 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.169 -6.597 -11.415 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.232 -6.708 -11.935 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.502 -5.166 -11.148 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.007 -4.060 -12.792 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.285 -5.602 -13.577 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.405 -4.199 -13.313 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.428 -4.274 -14.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.030 -5.946 -14.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.613 -6.777 -14.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.822 -6.503 -13.396 1.00 0.00 H new ATOM 690 N GLU A 45 2.429 -6.457 -8.557 1.00 0.00 N ATOM 691 CA GLU A 45 3.674 -6.994 -8.009 1.00 0.00 C ATOM 692 C GLU A 45 3.396 -8.026 -6.920 1.00 0.00 C ATOM 693 O GLU A 45 3.922 -9.139 -6.963 1.00 0.00 O ATOM 694 CB GLU A 45 4.550 -5.868 -7.455 1.00 0.00 C ATOM 695 CG GLU A 45 5.211 -5.024 -8.534 1.00 0.00 C ATOM 696 CD GLU A 45 6.187 -5.819 -9.377 1.00 0.00 C ATOM 697 OE1 GLU A 45 7.160 -6.360 -8.809 1.00 0.00 O ATOM 698 OE2 GLU A 45 5.980 -5.902 -10.607 1.00 0.00 O ATOM 0 H GLU A 45 2.390 -5.439 -8.602 1.00 0.00 H new ATOM 0 HA GLU A 45 4.208 -7.488 -8.821 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.940 -5.222 -6.823 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.323 -6.300 -6.819 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.442 -4.598 -9.179 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.735 -4.189 -8.068 1.00 0.00 H new ATOM 705 N PHE A 46 2.565 -7.659 -5.948 1.00 0.00 N ATOM 706 CA PHE A 46 2.225 -8.573 -4.862 1.00 0.00 C ATOM 707 C PHE A 46 1.459 -9.785 -5.383 1.00 0.00 C ATOM 708 O PHE A 46 1.512 -10.864 -4.793 1.00 0.00 O ATOM 709 CB PHE A 46 1.408 -7.856 -3.783 1.00 0.00 C ATOM 710 CG PHE A 46 2.235 -6.979 -2.884 1.00 0.00 C ATOM 711 CD1 PHE A 46 2.964 -5.919 -3.399 1.00 0.00 C ATOM 712 CD2 PHE A 46 2.285 -7.221 -1.520 1.00 0.00 C ATOM 713 CE1 PHE A 46 3.728 -5.116 -2.569 1.00 0.00 C ATOM 714 CE2 PHE A 46 3.046 -6.422 -0.686 1.00 0.00 C ATOM 715 CZ PHE A 46 3.768 -5.369 -1.210 1.00 0.00 C ATOM 0 H PHE A 46 2.118 -6.744 -5.890 1.00 0.00 H new ATOM 0 HA PHE A 46 3.158 -8.922 -4.419 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.641 -7.249 -4.264 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.892 -8.600 -3.176 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.936 -5.717 -4.460 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.723 -8.044 -1.103 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.292 -4.293 -2.983 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.075 -6.622 0.375 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.363 -4.744 -0.560 1.00 0.00 H new ATOM 725 N ASP A 47 0.750 -9.607 -6.495 1.00 0.00 N ATOM 726 CA ASP A 47 -0.020 -10.695 -7.090 1.00 0.00 C ATOM 727 C ASP A 47 0.870 -11.600 -7.939 1.00 0.00 C ATOM 728 O ASP A 47 0.563 -12.775 -8.138 1.00 0.00 O ATOM 729 CB ASP A 47 -1.162 -10.140 -7.943 1.00 0.00 C ATOM 730 CG ASP A 47 -2.188 -9.381 -7.121 1.00 0.00 C ATOM 731 OD1 ASP A 47 -2.010 -9.288 -5.888 1.00 0.00 O ATOM 732 OD2 ASP A 47 -3.169 -8.882 -7.710 1.00 0.00 O ATOM 0 H ASP A 47 0.693 -8.723 -7.000 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.439 -11.288 -6.277 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.752 -9.479 -8.707 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.654 -10.961 -8.464 1.00 0.00 H new ATOM 737 N LYS A 48 1.973 -11.048 -8.439 1.00 0.00 N ATOM 738 CA LYS A 48 2.900 -11.814 -9.266 1.00 0.00 C ATOM 739 C LYS A 48 3.891 -12.607 -8.412 1.00 0.00 C ATOM 740 O LYS A 48 4.798 -13.249 -8.939 1.00 0.00 O ATOM 741 CB LYS A 48 3.662 -10.885 -10.213 1.00 0.00 C ATOM 742 CG LYS A 48 2.775 -10.192 -11.235 1.00 0.00 C ATOM 743 CD LYS A 48 3.580 -9.268 -12.134 1.00 0.00 C ATOM 744 CE LYS A 48 2.696 -8.580 -13.160 1.00 0.00 C ATOM 745 NZ LYS A 48 2.014 -9.557 -14.054 1.00 0.00 N ATOM 0 H LYS A 48 2.245 -10.077 -8.286 1.00 0.00 H new ATOM 0 HA LYS A 48 2.311 -12.522 -9.849 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.183 -10.129 -9.625 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.424 -11.461 -10.738 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.265 -10.940 -11.843 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.003 -9.620 -10.720 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.086 -8.518 -11.527 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.355 -9.840 -12.645 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.948 -7.975 -12.647 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.300 -7.899 -13.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.602 -9.055 -14.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.704 -10.258 -14.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.259 -10.041 -13.527 1.00 0.00 H new ATOM 759 N LYS A 49 3.718 -12.559 -7.093 1.00 0.00 N ATOM 760 CA LYS A 49 4.603 -13.276 -6.181 1.00 0.00 C ATOM 761 C LYS A 49 3.804 -14.099 -5.175 1.00 0.00 C ATOM 762 O LYS A 49 4.130 -15.254 -4.905 1.00 0.00 O ATOM 763 CB LYS A 49 5.519 -12.296 -5.445 1.00 0.00 C ATOM 764 CG LYS A 49 4.767 -11.260 -4.624 1.00 0.00 C ATOM 765 CD LYS A 49 5.720 -10.327 -3.895 1.00 0.00 C ATOM 766 CE LYS A 49 6.612 -9.570 -4.865 1.00 0.00 C ATOM 767 NZ LYS A 49 7.544 -8.647 -4.158 1.00 0.00 N ATOM 0 H LYS A 49 2.975 -12.032 -6.634 1.00 0.00 H new ATOM 0 HA LYS A 49 5.214 -13.957 -6.773 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.183 -12.856 -4.787 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.149 -11.784 -6.172 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.116 -10.679 -5.278 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.125 -11.763 -3.901 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.149 -9.618 -3.296 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.337 -10.903 -3.205 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.186 -10.280 -5.460 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.993 -9.000 -5.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.135 -8.150 -4.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.996 -7.953 -3.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.152 -9.193 -3.515 1.00 0.00 H new ATOM 781 N TYR A 50 2.755 -13.497 -4.622 1.00 0.00 N ATOM 782 CA TYR A 50 1.912 -14.177 -3.646 1.00 0.00 C ATOM 783 C TYR A 50 0.588 -14.626 -4.265 1.00 0.00 C ATOM 784 O TYR A 50 -0.234 -15.255 -3.597 1.00 0.00 O ATOM 785 CB TYR A 50 1.641 -13.262 -2.451 1.00 0.00 C ATOM 786 CG TYR A 50 2.892 -12.820 -1.727 1.00 0.00 C ATOM 787 CD1 TYR A 50 3.758 -13.749 -1.165 1.00 0.00 C ATOM 788 CD2 TYR A 50 3.208 -11.472 -1.606 1.00 0.00 C ATOM 789 CE1 TYR A 50 4.903 -13.349 -0.502 1.00 0.00 C ATOM 790 CE2 TYR A 50 4.351 -11.064 -0.945 1.00 0.00 C ATOM 791 CZ TYR A 50 5.194 -12.006 -0.395 1.00 0.00 C ATOM 792 OH TYR A 50 6.333 -11.603 0.264 1.00 0.00 O ATOM 0 H TYR A 50 2.469 -12.541 -4.833 1.00 0.00 H new ATOM 0 HA TYR A 50 2.447 -15.065 -3.309 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.101 -12.380 -2.795 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.989 -13.781 -1.748 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.533 -14.802 -1.247 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.550 -10.731 -2.035 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.566 -14.084 -0.070 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.583 -10.013 -0.860 1.00 0.00 H new ATOM 0 HH TYR A 50 6.391 -10.625 0.249 1.00 0.00 H new ATOM 802 N ASN A 51 0.382 -14.302 -5.540 1.00 0.00 N ATOM 803 CA ASN A 51 -0.845 -14.677 -6.233 1.00 0.00 C ATOM 804 C ASN A 51 -2.063 -14.032 -5.575 1.00 0.00 C ATOM 805 O ASN A 51 -2.043 -13.721 -4.384 1.00 0.00 O ATOM 806 CB ASN A 51 -1.003 -16.200 -6.245 1.00 0.00 C ATOM 807 CG ASN A 51 0.146 -16.895 -6.948 1.00 0.00 C ATOM 808 OD1 ASN A 51 0.400 -16.661 -8.129 1.00 0.00 O ATOM 809 ND2 ASN A 51 0.848 -17.758 -6.221 1.00 0.00 N ATOM 0 H ASN A 51 1.048 -13.782 -6.111 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.777 -14.317 -7.260 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.071 -16.563 -5.220 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.939 -16.462 -6.739 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.633 -18.257 -6.639 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.602 -17.921 -5.245 1.00 0.00 H new ATOM 816 N PRO A 52 -3.144 -13.823 -6.347 1.00 0.00 N ATOM 817 CA PRO A 52 -4.376 -13.212 -5.833 1.00 0.00 C ATOM 818 C PRO A 52 -4.901 -13.931 -4.591 1.00 0.00 C ATOM 819 O PRO A 52 -4.419 -15.012 -4.253 1.00 0.00 O ATOM 820 CB PRO A 52 -5.362 -13.360 -6.995 1.00 0.00 C ATOM 821 CG PRO A 52 -4.505 -13.459 -8.211 1.00 0.00 C ATOM 822 CD PRO A 52 -3.251 -14.167 -7.777 1.00 0.00 C ATOM 0 HA PRO A 52 -4.220 -12.179 -5.522 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -5.984 -14.247 -6.876 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.035 -12.505 -7.054 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.012 -14.012 -9.002 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.277 -12.470 -8.609 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.325 -15.244 -7.927 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.382 -13.826 -8.339 1.00 0.00 H new ATOM 830 N THR A 53 -5.892 -13.342 -3.905 1.00 0.00 N ATOM 831 CA THR A 53 -6.478 -12.058 -4.290 1.00 0.00 C ATOM 832 C THR A 53 -6.188 -10.995 -3.235 1.00 0.00 C ATOM 833 O THR A 53 -6.180 -11.282 -2.038 1.00 0.00 O ATOM 834 CB THR A 53 -7.990 -12.206 -4.476 1.00 0.00 C ATOM 835 OG1 THR A 53 -8.280 -13.169 -5.475 1.00 0.00 O ATOM 836 CG2 THR A 53 -8.676 -10.917 -4.873 1.00 0.00 C ATOM 0 H THR A 53 -6.308 -13.747 -3.066 1.00 0.00 H new ATOM 0 HA THR A 53 -6.029 -11.744 -5.232 1.00 0.00 H new ATOM 0 HB THR A 53 -8.370 -12.516 -3.502 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.251 -13.251 -5.578 1.00 0.00 H new ATOM 0 HG21 THR A 53 -9.745 -11.094 -4.988 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.514 -10.166 -4.100 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.264 -10.561 -5.817 1.00 0.00 H new ATOM 844 N TRP A 54 -5.950 -9.767 -3.685 1.00 0.00 N ATOM 845 CA TRP A 54 -5.657 -8.665 -2.776 1.00 0.00 C ATOM 846 C TRP A 54 -6.481 -7.431 -3.137 1.00 0.00 C ATOM 847 O TRP A 54 -7.403 -7.503 -3.948 1.00 0.00 O ATOM 848 CB TRP A 54 -4.167 -8.319 -2.821 1.00 0.00 C ATOM 849 CG TRP A 54 -3.263 -9.495 -2.615 1.00 0.00 C ATOM 850 CD1 TRP A 54 -3.167 -10.601 -3.410 1.00 0.00 C ATOM 851 CD2 TRP A 54 -2.322 -9.682 -1.550 1.00 0.00 C ATOM 852 NE1 TRP A 54 -2.223 -11.462 -2.907 1.00 0.00 N ATOM 853 CE2 TRP A 54 -1.690 -10.923 -1.766 1.00 0.00 C ATOM 854 CE3 TRP A 54 -1.946 -8.925 -0.434 1.00 0.00 C ATOM 855 CZ2 TRP A 54 -0.711 -11.421 -0.912 1.00 0.00 C ATOM 856 CZ3 TRP A 54 -0.974 -9.422 0.412 1.00 0.00 C ATOM 857 CH2 TRP A 54 -0.366 -10.659 0.170 1.00 0.00 C ATOM 0 H TRP A 54 -5.954 -9.510 -4.672 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.922 -8.981 -1.767 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.939 -7.863 -3.784 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -3.955 -7.572 -2.056 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.748 -10.773 -4.304 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.961 -12.358 -3.317 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.408 -7.969 -0.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.240 -12.375 -1.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.678 -8.846 1.276 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.391 -11.019 0.851 1.00 0.00 H new ATOM 868 N HIS A 55 -6.135 -6.298 -2.530 1.00 0.00 N ATOM 869 CA HIS A 55 -6.830 -5.039 -2.784 1.00 0.00 C ATOM 870 C HIS A 55 -6.196 -3.912 -1.975 1.00 0.00 C ATOM 871 O HIS A 55 -6.524 -3.716 -0.806 1.00 0.00 O ATOM 872 CB HIS A 55 -8.313 -5.170 -2.430 1.00 0.00 C ATOM 873 CG HIS A 55 -9.129 -3.970 -2.798 1.00 0.00 C ATOM 874 ND1 HIS A 55 -8.899 -2.712 -2.281 1.00 0.00 N ATOM 875 CD2 HIS A 55 -10.178 -3.840 -3.644 1.00 0.00 C ATOM 876 CE1 HIS A 55 -9.772 -1.862 -2.793 1.00 0.00 C ATOM 877 NE2 HIS A 55 -10.557 -2.521 -3.622 1.00 0.00 N ATOM 0 H HIS A 55 -5.373 -6.227 -1.855 1.00 0.00 H new ATOM 0 HA HIS A 55 -6.742 -4.802 -3.844 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.722 -6.045 -2.935 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -8.407 -5.348 -1.359 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -10.632 -4.627 -4.227 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.832 -0.807 -2.570 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -11.323 -2.116 -4.160 1.00 0.00 H new ATOM 886 N CYS A 56 -5.275 -3.182 -2.598 1.00 0.00 N ATOM 887 CA CYS A 56 -4.585 -2.086 -1.923 1.00 0.00 C ATOM 888 C CYS A 56 -5.210 -0.736 -2.256 1.00 0.00 C ATOM 889 O CYS A 56 -5.715 -0.529 -3.359 1.00 0.00 O ATOM 890 CB CYS A 56 -3.104 -2.077 -2.315 1.00 0.00 C ATOM 891 SG CYS A 56 -2.135 -0.783 -1.505 1.00 0.00 S ATOM 0 H CYS A 56 -4.990 -3.329 -3.566 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.682 -2.248 -0.849 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.669 -3.047 -2.073 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -3.026 -1.953 -3.395 1.00 0.00 H new ATOM 0 HG CYS A 56 -0.898 -0.857 -1.897 1.00 0.00 H new ATOM 897 N ILE A 57 -5.155 0.188 -1.297 1.00 0.00 N ATOM 898 CA ILE A 57 -5.702 1.523 -1.500 1.00 0.00 C ATOM 899 C ILE A 57 -4.584 2.536 -1.627 1.00 0.00 C ATOM 900 O ILE A 57 -3.514 2.365 -1.043 1.00 0.00 O ATOM 901 CB ILE A 57 -6.617 1.975 -0.355 1.00 0.00 C ATOM 902 CG1 ILE A 57 -7.440 0.810 0.160 1.00 0.00 C ATOM 903 CG2 ILE A 57 -7.524 3.101 -0.820 1.00 0.00 C ATOM 904 CD1 ILE A 57 -8.272 0.132 -0.906 1.00 0.00 C ATOM 0 H ILE A 57 -4.739 0.035 -0.378 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.292 1.469 -2.415 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.995 2.343 0.461 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.771 0.075 0.608 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -8.100 1.165 0.952 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.168 3.412 0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.917 3.946 -1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.138 2.754 -1.651 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.832 -0.691 -0.462 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.966 0.852 -1.338 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.618 -0.255 -1.687 1.00 0.00 H new ATOM 916 N VAL A 58 -4.848 3.591 -2.383 1.00 0.00 N ATOM 917 CA VAL A 58 -3.870 4.648 -2.590 1.00 0.00 C ATOM 918 C VAL A 58 -4.509 6.023 -2.444 1.00 0.00 C ATOM 919 O VAL A 58 -4.779 6.705 -3.435 1.00 0.00 O ATOM 920 CB VAL A 58 -3.211 4.534 -3.981 1.00 0.00 C ATOM 921 CG1 VAL A 58 -2.148 5.608 -4.164 1.00 0.00 C ATOM 922 CG2 VAL A 58 -2.616 3.147 -4.176 1.00 0.00 C ATOM 0 H VAL A 58 -5.735 3.738 -2.865 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.103 4.530 -1.825 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.980 4.687 -4.739 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.697 5.509 -5.151 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.606 6.593 -4.072 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.379 5.493 -3.400 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.155 3.084 -5.162 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.862 2.964 -3.411 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.404 2.398 -4.095 1.00 0.00 H new ATOM 932 N GLY A 59 -4.748 6.429 -1.200 1.00 0.00 N ATOM 933 CA GLY A 59 -5.353 7.721 -0.947 1.00 0.00 C ATOM 934 C GLY A 59 -5.521 8.007 0.534 1.00 0.00 C ATOM 935 O GLY A 59 -4.843 8.872 1.085 1.00 0.00 O ATOM 0 H GLY A 59 -4.533 5.885 -0.364 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.738 8.500 -1.396 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.327 7.764 -1.434 1.00 0.00 H new ATOM 939 N ARG A 60 -6.433 7.283 1.177 1.00 0.00 N ATOM 940 CA ARG A 60 -6.689 7.475 2.601 1.00 0.00 C ATOM 941 C ARG A 60 -7.205 6.195 3.254 1.00 0.00 C ATOM 942 O ARG A 60 -6.762 5.825 4.340 1.00 0.00 O ATOM 943 CB ARG A 60 -7.699 8.606 2.807 1.00 0.00 C ATOM 944 CG ARG A 60 -7.232 9.945 2.261 1.00 0.00 C ATOM 945 CD ARG A 60 -8.256 11.050 2.488 1.00 0.00 C ATOM 946 NE ARG A 60 -8.528 11.276 3.908 1.00 0.00 N ATOM 947 CZ ARG A 60 -9.348 10.523 4.642 1.00 0.00 C ATOM 948 NH1 ARG A 60 -10.062 9.557 4.078 1.00 0.00 N ATOM 949 NH2 ARG A 60 -9.475 10.759 5.940 1.00 0.00 N ATOM 0 H ARG A 60 -7.004 6.562 0.737 1.00 0.00 H new ATOM 0 HA ARG A 60 -5.744 7.740 3.076 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.639 8.335 2.326 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -7.904 8.709 3.873 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -6.291 10.221 2.737 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.033 9.850 1.193 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.894 11.975 2.039 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.185 10.791 1.980 1.00 0.00 H new ATOM 0 HE ARG A 60 -8.061 12.059 4.365 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -9.986 9.386 3.075 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -10.687 8.986 4.647 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.946 11.515 6.375 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -10.102 10.185 6.504 1.00 0.00 H new ATOM 963 N ASN A 61 -8.139 5.530 2.571 1.00 0.00 N ATOM 964 CA ASN A 61 -8.745 4.274 3.054 1.00 0.00 C ATOM 965 C ASN A 61 -10.116 4.009 2.415 1.00 0.00 C ATOM 966 O ASN A 61 -10.731 2.974 2.672 1.00 0.00 O ATOM 967 CB ASN A 61 -8.915 4.275 4.584 1.00 0.00 C ATOM 968 CG ASN A 61 -9.934 5.291 5.110 1.00 0.00 C ATOM 969 OD1 ASN A 61 -10.196 5.333 6.311 1.00 0.00 O ATOM 970 ND2 ASN A 61 -10.511 6.118 4.235 1.00 0.00 N ATOM 0 H ASN A 61 -8.500 5.841 1.669 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.055 3.483 2.762 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -9.217 3.278 4.904 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -7.948 4.478 5.044 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.189 6.808 4.557 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.273 6.059 3.245 1.00 0.00 H new ATOM 977 N PHE A 62 -10.603 4.964 1.617 1.00 0.00 N ATOM 978 CA PHE A 62 -11.908 4.869 0.974 1.00 0.00 C ATOM 979 C PHE A 62 -12.280 3.435 0.603 1.00 0.00 C ATOM 980 O PHE A 62 -13.447 3.049 0.682 1.00 0.00 O ATOM 981 CB PHE A 62 -11.940 5.745 -0.281 1.00 0.00 C ATOM 982 CG PHE A 62 -10.783 5.496 -1.210 1.00 0.00 C ATOM 983 CD1 PHE A 62 -9.524 5.999 -0.919 1.00 0.00 C ATOM 984 CD2 PHE A 62 -10.951 4.746 -2.363 1.00 0.00 C ATOM 985 CE1 PHE A 62 -8.455 5.757 -1.758 1.00 0.00 C ATOM 986 CE2 PHE A 62 -9.883 4.504 -3.208 1.00 0.00 C ATOM 987 CZ PHE A 62 -8.634 5.010 -2.905 1.00 0.00 C ATOM 0 H PHE A 62 -10.099 5.824 1.401 1.00 0.00 H new ATOM 0 HA PHE A 62 -12.643 5.220 1.698 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -12.872 5.566 -0.817 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -11.939 6.794 0.016 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -9.378 6.587 -0.025 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -11.925 4.347 -2.604 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.479 6.152 -1.517 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -10.026 3.919 -4.105 1.00 0.00 H new ATOM 0 HZ PHE A 62 -7.799 4.822 -3.564 1.00 0.00 H new ATOM 997 N GLY A 63 -11.291 2.654 0.196 1.00 0.00 N ATOM 998 CA GLY A 63 -11.546 1.278 -0.186 1.00 0.00 C ATOM 999 C GLY A 63 -12.107 0.458 0.956 1.00 0.00 C ATOM 1000 O GLY A 63 -13.226 -0.048 0.876 1.00 0.00 O ATOM 0 H GLY A 63 -10.317 2.947 0.123 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.246 1.259 -1.022 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.619 0.823 -0.536 1.00 0.00 H new ATOM 1004 N SER A 64 -11.324 0.322 2.020 1.00 0.00 N ATOM 1005 CA SER A 64 -11.745 -0.447 3.186 1.00 0.00 C ATOM 1006 C SER A 64 -12.034 -1.901 2.811 1.00 0.00 C ATOM 1007 O SER A 64 -13.192 -2.308 2.714 1.00 0.00 O ATOM 1008 CB SER A 64 -12.986 0.186 3.819 1.00 0.00 C ATOM 1009 OG SER A 64 -12.731 1.521 4.217 1.00 0.00 O ATOM 0 H SER A 64 -10.394 0.734 2.100 1.00 0.00 H new ATOM 0 HA SER A 64 -10.929 -0.435 3.909 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.811 0.167 3.107 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.297 -0.401 4.683 1.00 0.00 H new ATOM 0 HG SER A 64 -11.960 1.869 3.721 1.00 0.00 H new ATOM 1015 N TYR A 65 -10.974 -2.677 2.607 1.00 0.00 N ATOM 1016 CA TYR A 65 -11.109 -4.089 2.249 1.00 0.00 C ATOM 1017 C TYR A 65 -10.181 -4.964 3.089 1.00 0.00 C ATOM 1018 O TYR A 65 -9.452 -5.797 2.554 1.00 0.00 O ATOM 1019 CB TYR A 65 -10.809 -4.308 0.762 1.00 0.00 C ATOM 1020 CG TYR A 65 -11.906 -3.838 -0.166 1.00 0.00 C ATOM 1021 CD1 TYR A 65 -12.248 -2.496 -0.243 1.00 0.00 C ATOM 1022 CD2 TYR A 65 -12.599 -4.740 -0.962 1.00 0.00 C ATOM 1023 CE1 TYR A 65 -13.253 -2.064 -1.089 1.00 0.00 C ATOM 1024 CE2 TYR A 65 -13.604 -4.317 -1.810 1.00 0.00 C ATOM 1025 CZ TYR A 65 -13.927 -2.979 -1.871 1.00 0.00 C ATOM 1026 OH TYR A 65 -14.929 -2.553 -2.714 1.00 0.00 O ATOM 0 H TYR A 65 -10.010 -2.353 2.683 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.141 -4.376 2.451 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.886 -3.787 0.508 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.633 -5.370 0.591 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -11.721 -1.777 0.367 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -12.348 -5.790 -0.917 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -13.509 -1.016 -1.137 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -14.134 -5.032 -2.422 1.00 0.00 H new ATOM 0 HH TYR A 65 -15.301 -3.322 -3.194 1.00 0.00 H new ATOM 1036 N VAL A 66 -10.218 -4.779 4.403 1.00 0.00 N ATOM 1037 CA VAL A 66 -9.380 -5.568 5.298 1.00 0.00 C ATOM 1038 C VAL A 66 -10.120 -6.809 5.775 1.00 0.00 C ATOM 1039 O VAL A 66 -9.833 -7.922 5.337 1.00 0.00 O ATOM 1040 CB VAL A 66 -8.914 -4.750 6.518 1.00 0.00 C ATOM 1041 CG1 VAL A 66 -8.027 -5.596 7.423 1.00 0.00 C ATOM 1042 CG2 VAL A 66 -8.188 -3.491 6.067 1.00 0.00 C ATOM 0 H VAL A 66 -10.814 -4.095 4.870 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.500 -5.865 4.728 1.00 0.00 H new ATOM 0 HB VAL A 66 -9.791 -4.450 7.091 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.708 -5.001 8.279 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.586 -6.464 7.773 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.151 -5.929 6.866 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.865 -2.924 6.940 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.318 -3.766 5.471 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.860 -2.879 5.466 1.00 0.00 H new ATOM 1052 N THR A 67 -11.077 -6.610 6.672 1.00 0.00 N ATOM 1053 CA THR A 67 -11.863 -7.717 7.199 1.00 0.00 C ATOM 1054 C THR A 67 -12.588 -8.434 6.071 1.00 0.00 C ATOM 1055 O THR A 67 -12.816 -9.642 6.135 1.00 0.00 O ATOM 1056 CB THR A 67 -12.863 -7.217 8.243 1.00 0.00 C ATOM 1057 OG1 THR A 67 -12.192 -6.584 9.317 1.00 0.00 O ATOM 1058 CG2 THR A 67 -13.723 -8.319 8.825 1.00 0.00 C ATOM 0 H THR A 67 -11.327 -5.696 7.049 1.00 0.00 H new ATOM 0 HA THR A 67 -11.186 -8.422 7.682 1.00 0.00 H new ATOM 0 HB THR A 67 -13.508 -6.517 7.712 1.00 0.00 H new ATOM 0 HG1 THR A 67 -12.849 -6.270 9.973 1.00 0.00 H new ATOM 0 HG21 THR A 67 -14.410 -7.896 9.558 1.00 0.00 H new ATOM 0 HG22 THR A 67 -14.293 -8.796 8.027 1.00 0.00 H new ATOM 0 HG23 THR A 67 -13.087 -9.060 9.309 1.00 0.00 H new ATOM 1066 N HIS A 68 -12.925 -7.687 5.022 1.00 0.00 N ATOM 1067 CA HIS A 68 -13.594 -8.267 3.866 1.00 0.00 C ATOM 1068 C HIS A 68 -12.779 -9.442 3.337 1.00 0.00 C ATOM 1069 O HIS A 68 -13.311 -10.350 2.700 1.00 0.00 O ATOM 1070 CB HIS A 68 -13.777 -7.216 2.770 1.00 0.00 C ATOM 1071 CG HIS A 68 -14.590 -6.034 3.202 1.00 0.00 C ATOM 1072 ND1 HIS A 68 -14.878 -4.974 2.368 1.00 0.00 N ATOM 1073 CD2 HIS A 68 -15.179 -5.748 4.387 1.00 0.00 C ATOM 1074 CE1 HIS A 68 -15.608 -4.088 3.022 1.00 0.00 C ATOM 1075 NE2 HIS A 68 -15.804 -4.534 4.248 1.00 0.00 N ATOM 0 H HIS A 68 -12.746 -6.685 4.951 1.00 0.00 H new ATOM 0 HA HIS A 68 -14.579 -8.622 4.170 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -12.797 -6.871 2.441 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -14.257 -7.681 1.909 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -15.160 -6.361 5.276 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.981 -3.157 2.621 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -16.334 -4.054 4.975 1.00 0.00 H new ATOM 1084 N GLU A 69 -11.478 -9.418 3.628 1.00 0.00 N ATOM 1085 CA GLU A 69 -10.576 -10.478 3.209 1.00 0.00 C ATOM 1086 C GLU A 69 -10.491 -11.552 4.290 1.00 0.00 C ATOM 1087 O GLU A 69 -11.092 -12.621 4.173 1.00 0.00 O ATOM 1088 CB GLU A 69 -9.179 -9.909 2.926 1.00 0.00 C ATOM 1089 CG GLU A 69 -9.131 -8.872 1.815 1.00 0.00 C ATOM 1090 CD GLU A 69 -9.850 -9.312 0.553 1.00 0.00 C ATOM 1091 OE1 GLU A 69 -11.077 -9.534 0.614 1.00 0.00 O ATOM 1092 OE2 GLU A 69 -9.182 -9.435 -0.496 1.00 0.00 O ATOM 0 H GLU A 69 -11.029 -8.669 4.155 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.965 -10.924 2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.792 -9.460 3.841 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.512 -10.731 2.667 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.576 -7.944 2.174 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.090 -8.654 1.575 1.00 0.00 H new ATOM 1099 N THR A 70 -9.745 -11.247 5.345 1.00 0.00 N ATOM 1100 CA THR A 70 -9.574 -12.161 6.467 1.00 0.00 C ATOM 1101 C THR A 70 -8.830 -11.468 7.617 1.00 0.00 C ATOM 1102 O THR A 70 -9.436 -10.719 8.383 1.00 0.00 O ATOM 1103 CB THR A 70 -8.854 -13.442 6.012 1.00 0.00 C ATOM 1104 OG1 THR A 70 -8.479 -14.233 7.124 1.00 0.00 O ATOM 1105 CG2 THR A 70 -7.612 -13.186 5.185 1.00 0.00 C ATOM 0 H THR A 70 -9.244 -10.364 5.447 1.00 0.00 H new ATOM 0 HA THR A 70 -10.557 -12.450 6.839 1.00 0.00 H new ATOM 0 HB THR A 70 -9.578 -13.961 5.384 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.279 -14.628 7.529 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.161 -14.137 4.902 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.881 -12.631 4.286 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.899 -12.606 5.770 1.00 0.00 H new ATOM 1113 N LYS A 71 -7.524 -11.702 7.733 1.00 0.00 N ATOM 1114 CA LYS A 71 -6.723 -11.079 8.783 1.00 0.00 C ATOM 1115 C LYS A 71 -5.304 -10.809 8.288 1.00 0.00 C ATOM 1116 O LYS A 71 -4.361 -10.753 9.077 1.00 0.00 O ATOM 1117 CB LYS A 71 -6.668 -11.959 10.039 1.00 0.00 C ATOM 1118 CG LYS A 71 -8.020 -12.198 10.697 1.00 0.00 C ATOM 1119 CD LYS A 71 -8.734 -13.410 10.116 1.00 0.00 C ATOM 1120 CE LYS A 71 -7.983 -14.700 10.414 1.00 0.00 C ATOM 1121 NZ LYS A 71 -7.810 -14.918 11.878 1.00 0.00 N ATOM 0 H LYS A 71 -6.999 -12.318 7.113 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.201 -10.134 9.041 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.231 -12.922 9.775 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.001 -11.494 10.765 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.881 -12.339 11.769 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.645 -11.314 10.570 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.741 -13.471 10.528 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.837 -13.290 9.038 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.524 -15.543 9.983 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.005 -14.670 9.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.530 -15.905 12.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.072 -14.280 12.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.707 -14.722 12.367 1.00 0.00 H new ATOM 1135 N HIS A 72 -5.162 -10.639 6.977 1.00 0.00 N ATOM 1136 CA HIS A 72 -3.863 -10.376 6.370 1.00 0.00 C ATOM 1137 C HIS A 72 -3.864 -9.018 5.674 1.00 0.00 C ATOM 1138 O HIS A 72 -3.920 -8.936 4.448 1.00 0.00 O ATOM 1139 CB HIS A 72 -3.513 -11.475 5.365 1.00 0.00 C ATOM 1140 CG HIS A 72 -3.351 -12.829 5.982 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -3.084 -13.964 5.245 1.00 0.00 N ATOM 1142 CD2 HIS A 72 -3.414 -13.230 7.274 1.00 0.00 C ATOM 1143 CE1 HIS A 72 -2.992 -15.003 6.055 1.00 0.00 C ATOM 1144 NE2 HIS A 72 -3.187 -14.584 7.292 1.00 0.00 N ATOM 0 H HIS A 72 -5.935 -10.679 6.313 1.00 0.00 H new ATOM 0 HA HIS A 72 -3.112 -10.366 7.160 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -4.294 -11.523 4.606 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.589 -11.206 4.854 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -3.607 -12.602 8.131 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.792 -16.021 5.757 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -3.171 -15.171 8.126 1.00 0.00 H new ATOM 1153 N PHE A 73 -3.815 -7.959 6.470 1.00 0.00 N ATOM 1154 CA PHE A 73 -3.821 -6.600 5.936 1.00 0.00 C ATOM 1155 C PHE A 73 -2.463 -5.925 6.139 1.00 0.00 C ATOM 1156 O PHE A 73 -1.560 -6.497 6.746 1.00 0.00 O ATOM 1157 CB PHE A 73 -4.892 -5.769 6.639 1.00 0.00 C ATOM 1158 CG PHE A 73 -4.495 -5.403 8.037 1.00 0.00 C ATOM 1159 CD1 PHE A 73 -3.729 -4.276 8.254 1.00 0.00 C ATOM 1160 CD2 PHE A 73 -4.843 -6.195 9.116 1.00 0.00 C ATOM 1161 CE1 PHE A 73 -3.319 -3.932 9.522 1.00 0.00 C ATOM 1162 CE2 PHE A 73 -4.434 -5.859 10.395 1.00 0.00 C ATOM 1163 CZ PHE A 73 -3.671 -4.724 10.597 1.00 0.00 C ATOM 0 H PHE A 73 -3.771 -8.012 7.488 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.033 -6.661 4.869 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -5.079 -4.861 6.066 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.827 -6.329 6.663 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -3.447 -3.655 7.417 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -5.438 -7.082 8.960 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -2.723 -3.044 9.676 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.710 -6.482 11.233 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.351 -4.457 11.593 1.00 0.00 H new ATOM 1173 N ILE A 74 -2.338 -4.691 5.656 1.00 0.00 N ATOM 1174 CA ILE A 74 -1.097 -3.936 5.815 1.00 0.00 C ATOM 1175 C ILE A 74 -1.301 -2.453 5.473 1.00 0.00 C ATOM 1176 O ILE A 74 -1.857 -2.125 4.427 1.00 0.00 O ATOM 1177 CB ILE A 74 0.028 -4.515 4.932 1.00 0.00 C ATOM 1178 CG1 ILE A 74 1.348 -3.797 5.218 1.00 0.00 C ATOM 1179 CG2 ILE A 74 -0.338 -4.415 3.459 1.00 0.00 C ATOM 1180 CD1 ILE A 74 2.463 -4.167 4.262 1.00 0.00 C ATOM 0 H ILE A 74 -3.075 -4.195 5.155 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.804 -4.022 6.861 1.00 0.00 H new ATOM 0 HB ILE A 74 0.152 -5.570 5.174 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.183 -2.721 5.171 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.663 -4.027 6.236 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.469 -4.829 2.855 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.254 -4.975 3.273 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.491 -3.369 3.192 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.367 -3.619 4.527 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.656 -5.238 4.326 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.169 -3.911 3.244 1.00 0.00 H new ATOM 1192 N TYR A 75 -0.851 -1.558 6.361 1.00 0.00 N ATOM 1193 CA TYR A 75 -0.994 -0.118 6.135 1.00 0.00 C ATOM 1194 C TYR A 75 0.363 0.577 6.079 1.00 0.00 C ATOM 1195 O TYR A 75 1.334 0.119 6.683 1.00 0.00 O ATOM 1196 CB TYR A 75 -1.833 0.530 7.241 1.00 0.00 C ATOM 1197 CG TYR A 75 -3.291 0.138 7.228 1.00 0.00 C ATOM 1198 CD1 TYR A 75 -3.675 -1.190 7.336 1.00 0.00 C ATOM 1199 CD2 TYR A 75 -4.284 1.102 7.118 1.00 0.00 C ATOM 1200 CE1 TYR A 75 -5.010 -1.549 7.333 1.00 0.00 C ATOM 1201 CE2 TYR A 75 -5.620 0.753 7.114 1.00 0.00 C ATOM 1202 CZ TYR A 75 -5.978 -0.573 7.221 1.00 0.00 C ATOM 1203 OH TYR A 75 -7.307 -0.926 7.219 1.00 0.00 O ATOM 0 H TYR A 75 -0.388 -1.805 7.236 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.496 0.002 5.175 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.406 0.263 8.208 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.760 1.614 7.148 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -2.919 -1.956 7.424 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -4.007 2.142 7.034 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -5.293 -2.588 7.418 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -6.380 1.515 7.027 1.00 0.00 H new ATOM 0 HH TYR A 75 -7.859 -0.121 7.134 1.00 0.00 H new ATOM 1213 N PHE A 76 0.413 1.701 5.369 1.00 0.00 N ATOM 1214 CA PHE A 76 1.638 2.483 5.250 1.00 0.00 C ATOM 1215 C PHE A 76 1.358 3.832 4.593 1.00 0.00 C ATOM 1216 O PHE A 76 1.033 3.909 3.407 1.00 0.00 O ATOM 1217 CB PHE A 76 2.716 1.716 4.477 1.00 0.00 C ATOM 1218 CG PHE A 76 2.301 1.276 3.101 1.00 0.00 C ATOM 1219 CD1 PHE A 76 1.295 0.338 2.929 1.00 0.00 C ATOM 1220 CD2 PHE A 76 2.929 1.795 1.981 1.00 0.00 C ATOM 1221 CE1 PHE A 76 0.925 -0.074 1.664 1.00 0.00 C ATOM 1222 CE2 PHE A 76 2.561 1.388 0.714 1.00 0.00 C ATOM 1223 CZ PHE A 76 1.557 0.453 0.554 1.00 0.00 C ATOM 0 H PHE A 76 -0.384 2.091 4.866 1.00 0.00 H new ATOM 0 HA PHE A 76 2.015 2.664 6.256 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.602 2.346 4.392 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.004 0.837 5.054 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.796 -0.075 3.793 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.715 2.526 2.100 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.142 -0.808 1.542 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.058 1.801 -0.152 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.267 0.135 -0.436 1.00 0.00 H new ATOM 1233 N TYR A 77 1.481 4.892 5.387 1.00 0.00 N ATOM 1234 CA TYR A 77 1.241 6.254 4.920 1.00 0.00 C ATOM 1235 C TYR A 77 2.508 6.829 4.292 1.00 0.00 C ATOM 1236 O TYR A 77 3.590 6.740 4.873 1.00 0.00 O ATOM 1237 CB TYR A 77 0.779 7.109 6.104 1.00 0.00 C ATOM 1238 CG TYR A 77 0.255 8.474 5.729 1.00 0.00 C ATOM 1239 CD1 TYR A 77 1.102 9.460 5.247 1.00 0.00 C ATOM 1240 CD2 TYR A 77 -1.094 8.775 5.865 1.00 0.00 C ATOM 1241 CE1 TYR A 77 0.619 10.711 4.912 1.00 0.00 C ATOM 1242 CE2 TYR A 77 -1.585 10.021 5.531 1.00 0.00 C ATOM 1243 CZ TYR A 77 -0.725 10.985 5.055 1.00 0.00 C ATOM 1244 OH TYR A 77 -1.210 12.228 4.723 1.00 0.00 O ATOM 0 H TYR A 77 1.749 4.831 6.369 1.00 0.00 H new ATOM 0 HA TYR A 77 0.464 6.252 4.156 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.001 6.570 6.641 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.614 7.232 6.794 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.155 9.248 5.132 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.771 8.021 6.239 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.291 11.470 4.540 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -2.637 10.238 5.642 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.770 12.909 5.274 1.00 0.00 H new ATOM 1254 N LEU A 78 2.383 7.399 3.092 1.00 0.00 N ATOM 1255 CA LEU A 78 3.542 7.954 2.396 1.00 0.00 C ATOM 1256 C LEU A 78 3.267 9.334 1.795 1.00 0.00 C ATOM 1257 O LEU A 78 2.226 9.567 1.184 1.00 0.00 O ATOM 1258 CB LEU A 78 3.983 7.000 1.283 1.00 0.00 C ATOM 1259 CG LEU A 78 4.347 5.586 1.738 1.00 0.00 C ATOM 1260 CD1 LEU A 78 4.670 4.708 0.538 1.00 0.00 C ATOM 1261 CD2 LEU A 78 5.522 5.620 2.704 1.00 0.00 C ATOM 0 H LEU A 78 1.501 7.487 2.588 1.00 0.00 H new ATOM 0 HA LEU A 78 4.332 8.071 3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.182 6.932 0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.845 7.434 0.776 1.00 0.00 H new ATOM 0 HG LEU A 78 3.488 5.160 2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.927 3.705 0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.802 4.656 -0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.513 5.133 -0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.766 4.605 3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.386 6.065 2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.257 6.215 3.578 1.00 0.00 H new ATOM 1273 N GLY A 79 4.243 10.227 1.953 1.00 0.00 N ATOM 1274 CA GLY A 79 4.162 11.581 1.410 1.00 0.00 C ATOM 1275 C GLY A 79 2.765 12.185 1.366 1.00 0.00 C ATOM 1276 O GLY A 79 2.276 12.539 0.294 1.00 0.00 O ATOM 0 H GLY A 79 5.108 10.033 2.458 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.802 12.232 2.006 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.568 11.573 0.398 1.00 0.00 H new ATOM 1280 N GLN A 80 2.133 12.323 2.527 1.00 0.00 N ATOM 1281 CA GLN A 80 0.801 12.914 2.615 1.00 0.00 C ATOM 1282 C GLN A 80 -0.220 12.011 1.959 1.00 0.00 C ATOM 1283 O GLN A 80 -1.248 12.469 1.459 1.00 0.00 O ATOM 1284 CB GLN A 80 0.778 14.307 1.975 1.00 0.00 C ATOM 1285 CG GLN A 80 1.687 15.297 2.684 1.00 0.00 C ATOM 1286 CD GLN A 80 3.112 14.793 2.771 1.00 0.00 C ATOM 1287 OE1 GLN A 80 3.885 14.905 1.820 1.00 0.00 O ATOM 1288 NE2 GLN A 80 3.449 14.194 3.907 1.00 0.00 N ATOM 0 H GLN A 80 2.523 12.033 3.424 1.00 0.00 H new ATOM 0 HA GLN A 80 0.544 13.022 3.669 1.00 0.00 H new ATOM 0 HB2 GLN A 80 1.080 14.227 0.931 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -0.243 14.688 1.983 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.670 16.249 2.154 1.00 0.00 H new ATOM 0 HG3 GLN A 80 1.306 15.485 3.688 1.00 0.00 H new ATOM 0 HE21 GLN A 80 2.773 14.126 4.668 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.384 13.802 4.019 1.00 0.00 H new ATOM 1297 N VAL A 81 0.071 10.720 1.970 1.00 0.00 N ATOM 1298 CA VAL A 81 -0.827 9.748 1.380 1.00 0.00 C ATOM 1299 C VAL A 81 -0.975 8.519 2.269 1.00 0.00 C ATOM 1300 O VAL A 81 -0.075 8.181 3.036 1.00 0.00 O ATOM 1301 CB VAL A 81 -0.354 9.309 -0.021 1.00 0.00 C ATOM 1302 CG1 VAL A 81 -1.361 8.367 -0.660 1.00 0.00 C ATOM 1303 CG2 VAL A 81 -0.115 10.524 -0.906 1.00 0.00 C ATOM 0 H VAL A 81 0.918 10.325 2.379 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.796 10.239 1.284 1.00 0.00 H new ATOM 0 HB VAL A 81 0.588 8.772 0.088 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.006 8.071 -1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.478 7.481 -0.035 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.322 8.873 -0.756 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.218 10.197 -1.891 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.042 11.089 -1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.650 11.157 -0.456 1.00 0.00 H new ATOM 1313 N ALA A 82 -2.120 7.853 2.161 1.00 0.00 N ATOM 1314 CA ALA A 82 -2.387 6.660 2.953 1.00 0.00 C ATOM 1315 C ALA A 82 -2.642 5.456 2.055 1.00 0.00 C ATOM 1316 O ALA A 82 -3.669 5.375 1.382 1.00 0.00 O ATOM 1317 CB ALA A 82 -3.574 6.897 3.877 1.00 0.00 C ATOM 0 H ALA A 82 -2.877 8.120 1.532 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.507 6.447 3.560 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.764 5.998 4.464 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.353 7.728 4.547 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.456 7.135 3.282 1.00 0.00 H new ATOM 1323 N ILE A 83 -1.699 4.520 2.054 1.00 0.00 N ATOM 1324 CA ILE A 83 -1.820 3.316 1.244 1.00 0.00 C ATOM 1325 C ILE A 83 -1.955 2.094 2.141 1.00 0.00 C ATOM 1326 O ILE A 83 -1.210 1.940 3.109 1.00 0.00 O ATOM 1327 CB ILE A 83 -0.598 3.146 0.318 1.00 0.00 C ATOM 1328 CG1 ILE A 83 -0.416 4.398 -0.538 1.00 0.00 C ATOM 1329 CG2 ILE A 83 -0.752 1.919 -0.565 1.00 0.00 C ATOM 1330 CD1 ILE A 83 0.836 4.374 -1.389 1.00 0.00 C ATOM 0 H ILE A 83 -0.843 4.573 2.606 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.712 3.414 0.625 1.00 0.00 H new ATOM 0 HB ILE A 83 0.288 3.006 0.937 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.284 4.514 -1.187 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.386 5.272 0.113 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.123 1.822 -1.208 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.844 1.030 0.060 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.645 2.024 -1.181 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.899 5.294 -1.969 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.712 4.290 -0.746 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.800 3.520 -2.066 1.00 0.00 H new ATOM 1342 N LEU A 84 -2.916 1.235 1.830 1.00 0.00 N ATOM 1343 CA LEU A 84 -3.143 0.037 2.633 1.00 0.00 C ATOM 1344 C LEU A 84 -3.543 -1.147 1.763 1.00 0.00 C ATOM 1345 O LEU A 84 -4.504 -1.077 1.000 1.00 0.00 O ATOM 1346 CB LEU A 84 -4.210 0.294 3.705 1.00 0.00 C ATOM 1347 CG LEU A 84 -5.501 0.958 3.218 1.00 0.00 C ATOM 1348 CD1 LEU A 84 -6.574 0.888 4.296 1.00 0.00 C ATOM 1349 CD2 LEU A 84 -5.248 2.410 2.835 1.00 0.00 C ATOM 0 H LEU A 84 -3.547 1.342 1.035 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.203 -0.209 3.128 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.467 -0.658 4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.773 0.921 4.482 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.848 0.419 2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.485 1.364 3.934 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.781 -0.155 4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.225 1.404 5.190 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.178 2.863 2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.877 2.956 3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.508 2.452 2.036 1.00 0.00 H new ATOM 1361 N LEU A 85 -2.793 -2.237 1.894 1.00 0.00 N ATOM 1362 CA LEU A 85 -3.057 -3.447 1.131 1.00 0.00 C ATOM 1363 C LEU A 85 -3.646 -4.527 2.029 1.00 0.00 C ATOM 1364 O LEU A 85 -3.319 -4.611 3.212 1.00 0.00 O ATOM 1365 CB LEU A 85 -1.773 -3.945 0.461 1.00 0.00 C ATOM 1366 CG LEU A 85 -1.867 -5.328 -0.187 1.00 0.00 C ATOM 1367 CD1 LEU A 85 -3.026 -5.384 -1.169 1.00 0.00 C ATOM 1368 CD2 LEU A 85 -0.557 -5.678 -0.878 1.00 0.00 C ATOM 0 H LEU A 85 -1.995 -2.304 2.525 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.785 -3.214 0.353 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.478 -3.224 -0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.978 -3.965 1.206 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.052 -6.064 0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.075 -6.376 -1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.958 -5.178 -0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.877 -4.639 -1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.639 -6.664 -1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.343 -4.938 -1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.251 -5.683 -0.146 1.00 0.00 H new ATOM 1380 N PHE A 86 -4.531 -5.339 1.466 1.00 0.00 N ATOM 1381 CA PHE A 86 -5.175 -6.398 2.228 1.00 0.00 C ATOM 1382 C PHE A 86 -5.080 -7.727 1.484 1.00 0.00 C ATOM 1383 O PHE A 86 -4.888 -7.756 0.268 1.00 0.00 O ATOM 1384 CB PHE A 86 -6.638 -6.039 2.489 1.00 0.00 C ATOM 1385 CG PHE A 86 -6.883 -4.557 2.565 1.00 0.00 C ATOM 1386 CD1 PHE A 86 -6.300 -3.791 3.561 1.00 0.00 C ATOM 1387 CD2 PHE A 86 -7.689 -3.930 1.630 1.00 0.00 C ATOM 1388 CE1 PHE A 86 -6.517 -2.428 3.622 1.00 0.00 C ATOM 1389 CE2 PHE A 86 -7.911 -2.569 1.686 1.00 0.00 C ATOM 1390 CZ PHE A 86 -7.324 -1.817 2.683 1.00 0.00 C ATOM 0 H PHE A 86 -4.818 -5.284 0.489 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.661 -6.502 3.184 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -7.256 -6.462 1.697 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.957 -6.501 3.423 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -5.669 -4.265 4.298 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -8.150 -4.513 0.847 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.056 -1.841 4.403 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -8.543 -2.093 0.951 1.00 0.00 H new ATOM 0 HZ PHE A 86 -7.496 -0.752 2.729 1.00 0.00 H new ATOM 1400 N LYS A 87 -5.194 -8.826 2.223 1.00 0.00 N ATOM 1401 CA LYS A 87 -5.096 -10.155 1.630 1.00 0.00 C ATOM 1402 C LYS A 87 -6.140 -11.103 2.219 1.00 0.00 C ATOM 1403 O LYS A 87 -6.268 -11.223 3.437 1.00 0.00 O ATOM 1404 CB LYS A 87 -3.688 -10.703 1.870 1.00 0.00 C ATOM 1405 CG LYS A 87 -3.349 -11.960 1.084 1.00 0.00 C ATOM 1406 CD LYS A 87 -4.150 -13.155 1.563 1.00 0.00 C ATOM 1407 CE LYS A 87 -3.646 -14.448 0.940 1.00 0.00 C ATOM 1408 NZ LYS A 87 -4.410 -15.636 1.415 1.00 0.00 N ATOM 0 H LYS A 87 -5.354 -8.823 3.230 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.288 -10.079 0.560 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.964 -9.928 1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.572 -10.914 2.933 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.546 -11.791 0.025 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.284 -12.173 1.180 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.088 -13.225 2.649 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.201 -13.014 1.312 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.721 -14.380 -0.145 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.590 -14.577 1.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -3.940 -16.504 1.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.446 -15.633 2.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.377 -15.601 1.035 1.00 0.00 H new ATOM 1422 N SER A 88 -6.874 -11.790 1.340 1.00 0.00 N ATOM 1423 CA SER A 88 -7.894 -12.746 1.770 1.00 0.00 C ATOM 1424 C SER A 88 -7.415 -14.184 1.582 1.00 0.00 C ATOM 1425 O SER A 88 -6.602 -14.469 0.703 1.00 0.00 O ATOM 1426 CB SER A 88 -9.186 -12.536 0.986 1.00 0.00 C ATOM 1427 OG SER A 88 -10.154 -13.514 1.327 1.00 0.00 O ATOM 0 H SER A 88 -6.780 -11.701 0.328 1.00 0.00 H new ATOM 0 HA SER A 88 -8.081 -12.575 2.830 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.582 -11.541 1.191 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.978 -12.583 -0.083 1.00 0.00 H new ATOM 0 HG SER A 88 -10.525 -13.312 2.211 1.00 0.00 H new ATOM 1433 N GLY A 89 -7.932 -15.089 2.406 1.00 0.00 N ATOM 1434 CA GLY A 89 -7.548 -16.485 2.309 1.00 0.00 C ATOM 1435 C GLY A 89 -8.529 -17.406 3.008 1.00 0.00 C ATOM 1436 O GLY A 89 -8.618 -17.344 4.253 1.00 0.00 O ATOM 1437 OXT GLY A 89 -9.207 -18.189 2.312 1.00 0.00 O ATOM 0 H GLY A 89 -8.610 -14.881 3.139 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.475 -16.767 1.258 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.557 -16.617 2.744 1.00 0.00 H new TER 1441 GLY A 89