USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 660 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 89 TYR OH : rot 180:sc= 0.353 USER MOD Set 1.2: A 96 SER OG : rot 75:sc= 0.819 USER MOD Set 2.1: A 64 SER OG : rot -94:sc= 0.916 USER MOD Set 2.2: A 66 GLN : amide:sc= -1.23! X(o=-0.31!,f=-0.54) USER MOD Set 3.1: A 36 TYR OH : rot 54:sc= 0.0831 USER MOD Set 3.2: A 48 ASN : amide:sc= -0.528 K(o=0.28,f=0.86) USER MOD Set 3.3: A 73 ASN : amide:sc= -0.856 K(o=0.28,f=-6.5!) USER MOD Set 3.4: A 74 SER OG : rot -11:sc= 0.337 USER MOD Set 3.5: A 76 LYS NZ :NH3+ -179:sc= 1.25 (180deg=1.17) USER MOD Set 4.1: A 16 LYS NZ :NH3+ -162:sc= -0.0338 (180deg=-0.321) USER MOD Set 4.2: A 17 ASN : amide:sc= -6.12! C(o=-6.2!,f=-5.5!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 HIS : no HE2:sc= -8.21! C(o=-8.2!,f=-20!) USER MOD Single : A 11 THR OG1 : rot -170:sc= 0 USER MOD Single : A 27 THR OG1 : rot 102:sc= 1.25 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -156:sc= 1.03 (180deg=-0.129!) USER MOD Single : A 42 ASN : amide:sc= -0.322 X(o=-0.32,f=-0.6) USER MOD Single : A 43 THR OG1 : rot 50:sc= -0.924 USER MOD Single : A 47 ASN : amide:sc= 0.363 K(o=0.36,f=-3.7!) USER MOD Single : A 49 ASN : amide:sc= -0.325 K(o=-0.33,f=-1) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1 K(o=-1,f=-0.26) USER MOD Single : A 56 ASN : amide:sc= -4.49 K(o=-4.5,f=-1.2) USER MOD Single : A 62 THR OG1 : rot -52:sc= 0.583 USER MOD Single : A 67 ASN : amide:sc= 0.173 K(o=0.17,f=-4.6!) USER MOD Single : A 70 SER OG : rot -73:sc= 1.24 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -173:sc=-0.00352 (180deg=-0.0831) USER MOD Single : A 85 THR OG1 : rot 22:sc= -0.857 USER MOD Single : A 87 ASN : amide:sc= -2.37! K(o=-2.4!,f=-0.88) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0.0319 USER MOD Single : A 98 SER OG : rot -59:sc= 0.00664 USER MOD Single : A 99 SER OG : rot 42:sc= -0.135 USER MOD ----------------------------------------------------------------- ATOM 26 N ASP A 3 14.970 -6.375 1.838 1.00 0.00 N ATOM 27 CA ASP A 3 13.800 -6.654 2.647 1.00 0.00 C ATOM 28 C ASP A 3 12.978 -5.380 2.860 1.00 0.00 C ATOM 29 O ASP A 3 13.428 -4.413 3.474 1.00 0.00 O ATOM 30 CB ASP A 3 14.213 -7.282 3.979 1.00 0.00 C ATOM 31 CG ASP A 3 15.370 -6.575 4.653 1.00 0.00 C ATOM 32 OD1 ASP A 3 16.528 -6.949 4.385 1.00 0.00 O ATOM 33 OD2 ASP A 3 15.126 -5.666 5.465 1.00 0.00 O ATOM 0 HA ASP A 3 13.170 -7.370 2.120 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.356 -7.280 4.652 1.00 0.00 H new ATOM 0 HB3 ASP A 3 14.484 -8.324 3.811 1.00 0.00 H new ATOM 38 N PRO A 4 11.770 -5.375 2.279 1.00 0.00 N ATOM 39 CA PRO A 4 10.878 -4.202 2.182 1.00 0.00 C ATOM 40 C PRO A 4 10.663 -3.353 3.453 1.00 0.00 C ATOM 41 O PRO A 4 10.183 -2.227 3.340 1.00 0.00 O ATOM 42 CB PRO A 4 9.539 -4.802 1.748 1.00 0.00 C ATOM 43 CG PRO A 4 9.734 -6.276 1.642 1.00 0.00 C ATOM 44 CD PRO A 4 11.197 -6.530 1.573 1.00 0.00 C ATOM 0 HA PRO A 4 11.339 -3.487 1.501 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.759 -4.568 2.472 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.222 -4.385 0.792 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.297 -6.783 2.502 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.235 -6.666 0.755 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.466 -7.470 2.054 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.548 -6.587 0.543 1.00 0.00 H new ATOM 52 N LYS A 5 11.013 -3.843 4.642 1.00 0.00 N ATOM 53 CA LYS A 5 10.681 -3.111 5.877 1.00 0.00 C ATOM 54 C LYS A 5 11.579 -1.903 6.138 1.00 0.00 C ATOM 55 O LYS A 5 11.579 -1.359 7.240 1.00 0.00 O ATOM 56 CB LYS A 5 10.673 -4.027 7.110 1.00 0.00 C ATOM 57 CG LYS A 5 11.942 -4.849 7.337 1.00 0.00 C ATOM 58 CD LYS A 5 13.121 -3.978 7.744 1.00 0.00 C ATOM 59 CE LYS A 5 14.311 -4.802 8.194 1.00 0.00 C ATOM 60 NZ LYS A 5 15.530 -3.965 8.333 1.00 0.00 N ATOM 0 H LYS A 5 11.514 -4.721 4.782 1.00 0.00 H new ATOM 0 HA LYS A 5 9.673 -2.734 5.708 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.497 -3.414 7.994 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.829 -4.712 7.025 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.758 -5.594 8.111 1.00 0.00 H new ATOM 0 HG3 LYS A 5 12.190 -5.392 6.425 1.00 0.00 H new ATOM 0 HD2 LYS A 5 13.413 -3.349 6.903 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.817 -3.311 8.551 1.00 0.00 H new ATOM 0 HE2 LYS A 5 14.085 -5.279 9.148 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.496 -5.600 7.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 16.326 -4.559 8.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 15.759 -3.530 7.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 15.361 -3.219 9.038 1.00 0.00 H new ATOM 74 N HIS A 6 12.338 -1.485 5.140 1.00 0.00 N ATOM 75 CA HIS A 6 13.255 -0.350 5.292 1.00 0.00 C ATOM 76 C HIS A 6 12.513 0.992 5.367 1.00 0.00 C ATOM 77 O HIS A 6 13.112 2.045 5.149 1.00 0.00 O ATOM 78 CB HIS A 6 14.296 -0.328 4.169 1.00 0.00 C ATOM 79 CG HIS A 6 13.747 -0.637 2.826 1.00 0.00 C ATOM 80 ND1 HIS A 6 13.432 -1.909 2.415 1.00 0.00 N ATOM 81 CD2 HIS A 6 13.436 0.174 1.806 1.00 0.00 C ATOM 82 CE1 HIS A 6 12.944 -1.858 1.196 1.00 0.00 C ATOM 83 NE2 HIS A 6 12.939 -0.610 0.797 1.00 0.00 N ATOM 0 H HIS A 6 12.343 -1.909 4.212 1.00 0.00 H new ATOM 0 HA HIS A 6 13.772 -0.488 6.242 1.00 0.00 H new ATOM 0 HB2 HIS A 6 14.763 0.656 4.141 1.00 0.00 H new ATOM 0 HB3 HIS A 6 15.081 -1.047 4.402 1.00 0.00 H new ATOM 0 HD1 HIS A 6 13.557 -2.757 2.967 1.00 0.00 H new ATOM 0 HD2 HIS A 6 13.555 1.247 1.783 1.00 0.00 H new ATOM 0 HE1 HIS A 6 12.603 -2.705 0.619 1.00 0.00 H new ATOM 92 N VAL A 7 11.208 0.919 5.672 1.00 0.00 N ATOM 93 CA VAL A 7 10.352 2.066 5.999 1.00 0.00 C ATOM 94 C VAL A 7 10.485 3.231 5.013 1.00 0.00 C ATOM 95 O VAL A 7 10.825 3.031 3.850 1.00 0.00 O ATOM 96 CB VAL A 7 10.571 2.533 7.461 1.00 0.00 C ATOM 97 CG1 VAL A 7 10.385 1.349 8.403 1.00 0.00 C ATOM 98 CG2 VAL A 7 11.934 3.188 7.669 1.00 0.00 C ATOM 0 H VAL A 7 10.706 0.032 5.698 1.00 0.00 H new ATOM 0 HA VAL A 7 9.326 1.711 5.902 1.00 0.00 H new ATOM 0 HB VAL A 7 9.828 3.299 7.684 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.539 1.675 9.432 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.375 0.953 8.295 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.108 0.571 8.157 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.035 3.496 8.710 1.00 0.00 H new ATOM 0 HG22 VAL A 7 12.721 2.475 7.424 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.021 4.061 7.022 1.00 0.00 H new ATOM 108 N CYS A 8 10.150 4.438 5.457 1.00 0.00 N ATOM 109 CA CYS A 8 10.079 5.580 4.559 1.00 0.00 C ATOM 110 C CYS A 8 10.185 6.915 5.271 1.00 0.00 C ATOM 111 O CYS A 8 9.946 7.028 6.470 1.00 0.00 O ATOM 112 CB CYS A 8 8.741 5.539 3.840 1.00 0.00 C ATOM 113 SG CYS A 8 8.286 7.072 2.952 1.00 0.00 S ATOM 0 H CYS A 8 9.925 4.648 6.429 1.00 0.00 H new ATOM 0 HA CYS A 8 10.926 5.504 3.877 1.00 0.00 H new ATOM 0 HB2 CYS A 8 8.755 4.715 3.126 1.00 0.00 H new ATOM 0 HB3 CYS A 8 7.962 5.315 4.569 1.00 0.00 H new ATOM 118 N VAL A 9 10.542 7.916 4.482 1.00 0.00 N ATOM 119 CA VAL A 9 10.395 9.311 4.824 1.00 0.00 C ATOM 120 C VAL A 9 10.194 10.044 3.509 1.00 0.00 C ATOM 121 O VAL A 9 11.138 10.260 2.750 1.00 0.00 O ATOM 122 CB VAL A 9 11.658 9.836 5.523 1.00 0.00 C ATOM 123 CG1 VAL A 9 11.627 9.542 7.015 1.00 0.00 C ATOM 124 CG2 VAL A 9 12.874 9.196 4.879 1.00 0.00 C ATOM 0 H VAL A 9 10.954 7.770 3.560 1.00 0.00 H new ATOM 0 HA VAL A 9 9.559 9.461 5.508 1.00 0.00 H new ATOM 0 HB VAL A 9 11.705 10.919 5.408 1.00 0.00 H new ATOM 0 HG11 VAL A 9 12.535 9.926 7.480 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.758 10.024 7.463 1.00 0.00 H new ATOM 0 HG13 VAL A 9 11.566 8.465 7.172 1.00 0.00 H new ATOM 0 HG21 VAL A 9 13.778 9.561 5.366 1.00 0.00 H new ATOM 0 HG22 VAL A 9 12.815 8.113 4.987 1.00 0.00 H new ATOM 0 HG23 VAL A 9 12.903 9.454 3.820 1.00 0.00 H new ATOM 134 N ASP A 10 8.967 10.396 3.225 1.00 0.00 N ATOM 135 CA ASP A 10 8.628 10.929 1.921 1.00 0.00 C ATOM 136 C ASP A 10 7.846 12.228 2.035 1.00 0.00 C ATOM 137 O ASP A 10 7.454 12.611 3.134 1.00 0.00 O ATOM 138 CB ASP A 10 7.863 9.859 1.126 1.00 0.00 C ATOM 139 CG ASP A 10 7.320 10.330 -0.218 1.00 0.00 C ATOM 140 OD1 ASP A 10 8.075 10.957 -0.994 1.00 0.00 O ATOM 141 OD2 ASP A 10 6.138 10.068 -0.514 1.00 0.00 O ATOM 0 H ASP A 10 8.184 10.325 3.874 1.00 0.00 H new ATOM 0 HA ASP A 10 9.543 11.176 1.383 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.524 9.009 0.957 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.032 9.500 1.733 1.00 0.00 H new ATOM 146 N THR A 11 7.715 12.903 0.896 1.00 0.00 N ATOM 147 CA THR A 11 6.700 13.903 0.624 1.00 0.00 C ATOM 148 C THR A 11 6.207 14.710 1.832 1.00 0.00 C ATOM 149 O THR A 11 5.553 14.203 2.746 1.00 0.00 O ATOM 150 CB THR A 11 5.530 13.203 -0.083 1.00 0.00 C ATOM 151 OG1 THR A 11 5.872 12.936 -1.450 1.00 0.00 O ATOM 152 CG2 THR A 11 4.255 14.008 -0.012 1.00 0.00 C ATOM 0 H THR A 11 8.344 12.758 0.106 1.00 0.00 H new ATOM 0 HA THR A 11 7.169 14.660 -0.005 1.00 0.00 H new ATOM 0 HB THR A 11 5.348 12.263 0.439 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.074 12.637 -1.934 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.457 13.472 -0.526 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.978 14.159 1.031 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.408 14.975 -0.490 1.00 0.00 H new ATOM 160 N ARG A 12 6.509 16.001 1.770 1.00 0.00 N ATOM 161 CA ARG A 12 6.011 17.008 2.714 1.00 0.00 C ATOM 162 C ARG A 12 4.547 16.804 3.121 1.00 0.00 C ATOM 163 O ARG A 12 4.174 17.088 4.259 1.00 0.00 O ATOM 164 CB ARG A 12 6.158 18.427 2.130 1.00 0.00 C ATOM 165 CG ARG A 12 6.434 18.498 0.637 1.00 0.00 C ATOM 166 CD ARG A 12 5.393 17.732 -0.132 1.00 0.00 C ATOM 167 NE ARG A 12 5.516 17.893 -1.577 1.00 0.00 N ATOM 168 CZ ARG A 12 4.514 17.710 -2.440 1.00 0.00 C ATOM 169 NH1 ARG A 12 3.295 17.404 -2.005 1.00 0.00 N ATOM 170 NH2 ARG A 12 4.736 17.851 -3.741 1.00 0.00 N ATOM 0 H ARG A 12 7.118 16.390 1.050 1.00 0.00 H new ATOM 0 HA ARG A 12 6.625 16.889 3.607 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.244 18.983 2.339 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.967 18.935 2.655 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.441 19.538 0.312 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.423 18.091 0.425 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.471 16.674 0.118 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.402 18.062 0.181 1.00 0.00 H new ATOM 0 HE ARG A 12 6.426 18.163 -1.952 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.120 17.307 -1.005 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.535 17.266 -2.672 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.667 18.098 -4.076 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.975 17.713 -4.406 1.00 0.00 H new ATOM 184 N ASP A 13 3.725 16.318 2.203 1.00 0.00 N ATOM 185 CA ASP A 13 2.295 16.223 2.448 1.00 0.00 C ATOM 186 C ASP A 13 1.719 14.950 1.846 1.00 0.00 C ATOM 187 O ASP A 13 1.153 14.961 0.755 1.00 0.00 O ATOM 188 CB ASP A 13 1.591 17.454 1.878 1.00 0.00 C ATOM 189 CG ASP A 13 0.123 17.521 2.259 1.00 0.00 C ATOM 190 OD1 ASP A 13 -0.180 17.869 3.421 1.00 0.00 O ATOM 191 OD2 ASP A 13 -0.737 17.242 1.402 1.00 0.00 O ATOM 0 H ASP A 13 4.022 15.985 1.286 1.00 0.00 H new ATOM 0 HA ASP A 13 2.129 16.184 3.525 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.095 18.353 2.234 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.680 17.447 0.792 1.00 0.00 H new ATOM 196 N ILE A 14 1.902 13.851 2.557 1.00 0.00 N ATOM 197 CA ILE A 14 1.333 12.575 2.158 1.00 0.00 C ATOM 198 C ILE A 14 -0.097 12.487 2.655 1.00 0.00 C ATOM 199 O ILE A 14 -0.396 12.885 3.782 1.00 0.00 O ATOM 200 CB ILE A 14 2.165 11.398 2.715 1.00 0.00 C ATOM 201 CG1 ILE A 14 3.547 11.405 2.079 1.00 0.00 C ATOM 202 CG2 ILE A 14 1.480 10.058 2.459 1.00 0.00 C ATOM 203 CD1 ILE A 14 4.652 11.044 3.034 1.00 0.00 C ATOM 0 H ILE A 14 2.444 13.817 3.420 1.00 0.00 H new ATOM 0 HA ILE A 14 1.348 12.509 1.070 1.00 0.00 H new ATOM 0 HB ILE A 14 2.255 11.525 3.794 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.557 10.705 1.244 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.743 12.395 1.667 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.093 9.253 2.864 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.504 10.050 2.944 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.353 9.913 1.386 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.608 11.070 2.511 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.669 11.758 3.857 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.480 10.042 3.427 1.00 0.00 H new ATOM 215 N PRO A 15 -1.002 11.994 1.807 1.00 0.00 N ATOM 216 CA PRO A 15 -2.425 11.894 2.126 1.00 0.00 C ATOM 217 C PRO A 15 -2.692 11.103 3.403 1.00 0.00 C ATOM 218 O PRO A 15 -1.962 10.179 3.756 1.00 0.00 O ATOM 219 CB PRO A 15 -2.993 11.175 0.909 1.00 0.00 C ATOM 220 CG PRO A 15 -2.058 11.527 -0.185 1.00 0.00 C ATOM 221 CD PRO A 15 -0.717 11.490 0.453 1.00 0.00 C ATOM 0 HA PRO A 15 -2.875 12.868 2.316 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.036 10.097 1.066 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.008 11.505 0.688 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.126 10.818 -1.010 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.277 12.513 -0.594 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.303 10.482 0.473 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.001 12.119 -0.073 1.00 0.00 H new ATOM 229 N LYS A 16 -3.751 11.504 4.089 1.00 0.00 N ATOM 230 CA LYS A 16 -4.133 10.952 5.376 1.00 0.00 C ATOM 231 C LYS A 16 -4.478 9.478 5.303 1.00 0.00 C ATOM 232 O LYS A 16 -4.170 8.709 6.209 1.00 0.00 O ATOM 233 CB LYS A 16 -5.321 11.746 5.875 1.00 0.00 C ATOM 234 CG LYS A 16 -5.873 11.292 7.205 1.00 0.00 C ATOM 235 CD LYS A 16 -7.046 12.158 7.611 1.00 0.00 C ATOM 236 CE LYS A 16 -7.758 11.602 8.835 1.00 0.00 C ATOM 237 NZ LYS A 16 -8.388 10.286 8.558 1.00 0.00 N ATOM 0 H LYS A 16 -4.380 12.236 3.759 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.287 11.028 6.059 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.032 12.794 5.956 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.115 11.692 5.130 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.187 10.250 7.139 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.094 11.343 7.966 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.697 13.169 7.821 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.750 12.230 6.782 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.046 11.499 9.654 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.521 12.308 9.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.102 10.083 9.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.844 10.309 7.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.660 9.543 8.570 1.00 0.00 H new ATOM 251 N ASN A 17 -5.122 9.089 4.224 1.00 0.00 N ATOM 252 CA ASN A 17 -5.502 7.706 4.026 1.00 0.00 C ATOM 253 C ASN A 17 -4.431 7.050 3.178 1.00 0.00 C ATOM 254 O ASN A 17 -4.680 6.119 2.414 1.00 0.00 O ATOM 255 CB ASN A 17 -6.876 7.614 3.351 1.00 0.00 C ATOM 256 CG ASN A 17 -8.004 8.204 4.182 1.00 0.00 C ATOM 257 OD1 ASN A 17 -9.154 7.789 4.068 1.00 0.00 O ATOM 258 ND2 ASN A 17 -7.686 9.170 5.024 1.00 0.00 N ATOM 0 H ASN A 17 -5.395 9.715 3.466 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.583 7.193 4.984 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.835 8.129 2.391 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.099 6.568 3.142 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.407 9.597 5.606 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -6.720 9.490 5.092 1.00 0.00 H new ATOM 265 N ALA A 18 -3.225 7.573 3.320 1.00 0.00 N ATOM 266 CA ALA A 18 -2.105 7.151 2.514 1.00 0.00 C ATOM 267 C ALA A 18 -0.889 6.915 3.375 1.00 0.00 C ATOM 268 O ALA A 18 -0.774 7.445 4.477 1.00 0.00 O ATOM 269 CB ALA A 18 -1.782 8.190 1.456 1.00 0.00 C ATOM 0 H ALA A 18 -3.001 8.301 3.998 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.381 6.218 2.023 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.935 7.851 0.860 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.647 8.331 0.809 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.532 9.135 1.938 1.00 0.00 H new ATOM 275 N GLY A 19 0.002 6.108 2.865 1.00 0.00 N ATOM 276 CA GLY A 19 1.260 5.883 3.524 1.00 0.00 C ATOM 277 C GLY A 19 2.395 5.990 2.551 1.00 0.00 C ATOM 278 O GLY A 19 2.210 5.773 1.355 1.00 0.00 O ATOM 0 H GLY A 19 -0.121 5.594 1.993 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.392 6.610 4.325 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.263 4.896 3.986 1.00 0.00 H new ATOM 282 N CYS A 20 3.566 6.308 3.052 1.00 0.00 N ATOM 283 CA CYS A 20 4.690 6.580 2.193 1.00 0.00 C ATOM 284 C CYS A 20 5.690 5.453 2.270 1.00 0.00 C ATOM 285 O CYS A 20 5.785 4.752 3.282 1.00 0.00 O ATOM 286 CB CYS A 20 5.370 7.887 2.581 1.00 0.00 C ATOM 287 SG CYS A 20 6.612 7.727 3.913 1.00 0.00 S ATOM 0 H CYS A 20 3.763 6.384 4.050 1.00 0.00 H new ATOM 0 HA CYS A 20 4.318 6.668 1.172 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.854 8.307 1.699 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.607 8.599 2.896 1.00 0.00 H new ATOM 292 N PHE A 21 6.396 5.253 1.184 1.00 0.00 N ATOM 293 CA PHE A 21 7.484 4.310 1.149 1.00 0.00 C ATOM 294 C PHE A 21 8.737 4.919 0.547 1.00 0.00 C ATOM 295 O PHE A 21 8.674 5.668 -0.405 1.00 0.00 O ATOM 296 CB PHE A 21 7.103 3.070 0.379 1.00 0.00 C ATOM 297 CG PHE A 21 8.283 2.231 0.065 1.00 0.00 C ATOM 298 CD1 PHE A 21 8.989 1.695 1.090 1.00 0.00 C ATOM 299 CD2 PHE A 21 8.682 1.982 -1.231 1.00 0.00 C ATOM 300 CE1 PHE A 21 10.082 0.916 0.864 1.00 0.00 C ATOM 301 CE2 PHE A 21 9.785 1.199 -1.471 1.00 0.00 C ATOM 302 CZ PHE A 21 10.484 0.663 -0.405 1.00 0.00 C ATOM 0 H PHE A 21 6.232 5.739 0.302 1.00 0.00 H new ATOM 0 HA PHE A 21 7.697 4.036 2.182 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.387 2.488 0.959 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.604 3.356 -0.547 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.678 1.890 2.106 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.128 2.402 -2.057 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.629 0.499 1.697 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.104 1.004 -2.484 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.350 0.043 -0.584 1.00 0.00 H new ATOM 312 N ARG A 22 9.871 4.598 1.127 1.00 0.00 N ATOM 313 CA ARG A 22 11.148 5.018 0.593 1.00 0.00 C ATOM 314 C ARG A 22 12.087 3.827 0.583 1.00 0.00 C ATOM 315 O ARG A 22 12.372 3.235 1.621 1.00 0.00 O ATOM 316 CB ARG A 22 11.731 6.170 1.406 1.00 0.00 C ATOM 317 CG ARG A 22 13.232 6.249 1.318 1.00 0.00 C ATOM 318 CD ARG A 22 13.772 7.481 1.986 1.00 0.00 C ATOM 319 NE ARG A 22 14.326 8.377 0.998 1.00 0.00 N ATOM 320 CZ ARG A 22 15.307 9.252 1.230 1.00 0.00 C ATOM 321 NH1 ARG A 22 15.871 9.332 2.430 1.00 0.00 N ATOM 322 NH2 ARG A 22 15.733 10.043 0.257 1.00 0.00 N ATOM 0 H ARG A 22 9.935 4.041 1.979 1.00 0.00 H new ATOM 0 HA ARG A 22 11.013 5.383 -0.425 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.302 7.109 1.056 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.439 6.056 2.450 1.00 0.00 H new ATOM 0 HG2 ARG A 22 13.669 5.365 1.781 1.00 0.00 H new ATOM 0 HG3 ARG A 22 13.534 6.243 0.271 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.978 7.983 2.539 1.00 0.00 H new ATOM 0 HD3 ARG A 22 14.539 7.206 2.710 1.00 0.00 H new ATOM 0 HE ARG A 22 13.940 8.338 0.055 1.00 0.00 H new ATOM 0 HH11 ARG A 22 15.555 8.722 3.184 1.00 0.00 H new ATOM 0 HH12 ARG A 22 16.620 10.004 2.598 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.311 9.984 -0.670 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.483 10.712 0.435 1.00 0.00 H new ATOM 336 N ASP A 23 12.556 3.459 -0.592 1.00 0.00 N ATOM 337 CA ASP A 23 13.265 2.205 -0.732 1.00 0.00 C ATOM 338 C ASP A 23 14.771 2.373 -0.565 1.00 0.00 C ATOM 339 O ASP A 23 15.268 3.477 -0.347 1.00 0.00 O ATOM 340 CB ASP A 23 12.909 1.542 -2.072 1.00 0.00 C ATOM 341 CG ASP A 23 13.709 0.308 -2.433 1.00 0.00 C ATOM 342 OD1 ASP A 23 13.705 -0.657 -1.649 1.00 0.00 O ATOM 343 OD2 ASP A 23 14.363 0.314 -3.495 1.00 0.00 O ATOM 0 H ASP A 23 12.461 4.001 -1.451 1.00 0.00 H new ATOM 0 HA ASP A 23 12.943 1.545 0.074 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.853 1.274 -2.053 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.037 2.279 -2.865 1.00 0.00 H new ATOM 348 N ASP A 24 15.464 1.262 -0.679 1.00 0.00 N ATOM 349 CA ASP A 24 16.912 1.177 -0.590 1.00 0.00 C ATOM 350 C ASP A 24 17.575 2.102 -1.604 1.00 0.00 C ATOM 351 O ASP A 24 18.656 2.640 -1.371 1.00 0.00 O ATOM 352 CB ASP A 24 17.294 -0.271 -0.862 1.00 0.00 C ATOM 353 CG ASP A 24 18.761 -0.468 -1.190 1.00 0.00 C ATOM 354 OD1 ASP A 24 19.596 -0.383 -0.269 1.00 0.00 O ATOM 355 OD2 ASP A 24 19.076 -0.740 -2.369 1.00 0.00 O ATOM 0 H ASP A 24 15.022 0.357 -0.842 1.00 0.00 H new ATOM 0 HA ASP A 24 17.251 1.489 0.398 1.00 0.00 H new ATOM 0 HB2 ASP A 24 17.043 -0.873 0.011 1.00 0.00 H new ATOM 0 HB3 ASP A 24 16.693 -0.646 -1.691 1.00 0.00 H new ATOM 360 N ASP A 25 16.896 2.288 -2.727 1.00 0.00 N ATOM 361 CA ASP A 25 17.373 3.160 -3.790 1.00 0.00 C ATOM 362 C ASP A 25 17.431 4.616 -3.329 1.00 0.00 C ATOM 363 O ASP A 25 18.251 5.402 -3.807 1.00 0.00 O ATOM 364 CB ASP A 25 16.443 3.038 -5.000 1.00 0.00 C ATOM 365 CG ASP A 25 16.794 4.001 -6.114 1.00 0.00 C ATOM 366 OD1 ASP A 25 16.314 5.152 -6.079 1.00 0.00 O ATOM 367 OD2 ASP A 25 17.533 3.604 -7.034 1.00 0.00 O ATOM 0 H ASP A 25 16.002 1.840 -2.926 1.00 0.00 H new ATOM 0 HA ASP A 25 18.383 2.852 -4.062 1.00 0.00 H new ATOM 0 HB2 ASP A 25 16.485 2.018 -5.382 1.00 0.00 H new ATOM 0 HB3 ASP A 25 15.416 3.218 -4.682 1.00 0.00 H new ATOM 372 N GLY A 26 16.577 4.963 -2.377 1.00 0.00 N ATOM 373 CA GLY A 26 16.469 6.339 -1.936 1.00 0.00 C ATOM 374 C GLY A 26 15.193 6.975 -2.440 1.00 0.00 C ATOM 375 O GLY A 26 14.707 7.957 -1.878 1.00 0.00 O ATOM 0 H GLY A 26 15.953 4.312 -1.900 1.00 0.00 H new ATOM 0 HA2 GLY A 26 16.492 6.378 -0.847 1.00 0.00 H new ATOM 0 HA3 GLY A 26 17.328 6.907 -2.294 1.00 0.00 H new ATOM 379 N THR A 27 14.662 6.411 -3.516 1.00 0.00 N ATOM 380 CA THR A 27 13.395 6.841 -4.093 1.00 0.00 C ATOM 381 C THR A 27 12.255 6.719 -3.084 1.00 0.00 C ATOM 382 O THR A 27 12.208 5.771 -2.295 1.00 0.00 O ATOM 383 CB THR A 27 13.067 5.992 -5.330 1.00 0.00 C ATOM 384 OG1 THR A 27 14.022 6.250 -6.369 1.00 0.00 O ATOM 385 CG2 THR A 27 11.663 6.263 -5.855 1.00 0.00 C ATOM 0 H THR A 27 15.100 5.638 -4.016 1.00 0.00 H new ATOM 0 HA THR A 27 13.497 7.888 -4.377 1.00 0.00 H new ATOM 0 HB THR A 27 13.116 4.946 -5.027 1.00 0.00 H new ATOM 0 HG1 THR A 27 14.678 5.522 -6.398 1.00 0.00 H new ATOM 0 HG21 THR A 27 11.475 5.641 -6.730 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.933 6.029 -5.080 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.574 7.314 -6.132 1.00 0.00 H new ATOM 393 N GLU A 28 11.344 7.681 -3.119 1.00 0.00 N ATOM 394 CA GLU A 28 10.212 7.694 -2.212 1.00 0.00 C ATOM 395 C GLU A 28 8.901 7.748 -2.987 1.00 0.00 C ATOM 396 O GLU A 28 8.796 8.427 -4.008 1.00 0.00 O ATOM 397 CB GLU A 28 10.315 8.888 -1.278 1.00 0.00 C ATOM 398 CG GLU A 28 11.651 8.980 -0.578 1.00 0.00 C ATOM 399 CD GLU A 28 12.307 10.330 -0.787 1.00 0.00 C ATOM 400 OE1 GLU A 28 12.474 10.736 -1.959 1.00 0.00 O ATOM 401 OE2 GLU A 28 12.683 10.981 0.201 1.00 0.00 O ATOM 0 H GLU A 28 11.370 8.465 -3.771 1.00 0.00 H new ATOM 0 HA GLU A 28 10.226 6.776 -1.625 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.146 9.802 -1.847 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.524 8.827 -0.531 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.515 8.804 0.489 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.310 8.195 -0.949 1.00 0.00 H new ATOM 408 N GLU A 29 7.924 7.009 -2.498 1.00 0.00 N ATOM 409 CA GLU A 29 6.615 6.910 -3.125 1.00 0.00 C ATOM 410 C GLU A 29 5.546 6.677 -2.079 1.00 0.00 C ATOM 411 O GLU A 29 5.675 5.779 -1.256 1.00 0.00 O ATOM 412 CB GLU A 29 6.598 5.756 -4.127 1.00 0.00 C ATOM 413 CG GLU A 29 5.205 5.348 -4.582 1.00 0.00 C ATOM 414 CD GLU A 29 5.239 4.226 -5.593 1.00 0.00 C ATOM 415 OE1 GLU A 29 5.544 4.498 -6.772 1.00 0.00 O ATOM 416 OE2 GLU A 29 4.953 3.073 -5.217 1.00 0.00 O ATOM 0 H GLU A 29 8.015 6.454 -1.647 1.00 0.00 H new ATOM 0 HA GLU A 29 6.412 7.846 -3.644 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.185 6.039 -5.001 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.089 4.893 -3.679 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.619 5.037 -3.717 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.700 6.211 -5.016 1.00 0.00 H new ATOM 423 N TRP A 30 4.499 7.471 -2.096 1.00 0.00 N ATOM 424 CA TRP A 30 3.368 7.186 -1.246 1.00 0.00 C ATOM 425 C TRP A 30 2.265 6.516 -2.052 1.00 0.00 C ATOM 426 O TRP A 30 2.200 6.641 -3.277 1.00 0.00 O ATOM 427 CB TRP A 30 2.857 8.442 -0.531 1.00 0.00 C ATOM 428 CG TRP A 30 2.345 9.524 -1.430 1.00 0.00 C ATOM 429 CD1 TRP A 30 2.979 10.684 -1.749 1.00 0.00 C ATOM 430 CD2 TRP A 30 1.084 9.555 -2.105 1.00 0.00 C ATOM 431 NE1 TRP A 30 2.189 11.440 -2.580 1.00 0.00 N ATOM 432 CE2 TRP A 30 1.018 10.764 -2.813 1.00 0.00 C ATOM 433 CE3 TRP A 30 0.005 8.672 -2.174 1.00 0.00 C ATOM 434 CZ2 TRP A 30 -0.086 11.115 -3.582 1.00 0.00 C ATOM 435 CZ3 TRP A 30 -1.089 9.022 -2.941 1.00 0.00 C ATOM 436 CH2 TRP A 30 -1.127 10.236 -3.633 1.00 0.00 C ATOM 0 H TRP A 30 4.408 8.304 -2.678 1.00 0.00 H new ATOM 0 HA TRP A 30 3.696 6.498 -0.467 1.00 0.00 H new ATOM 0 HB2 TRP A 30 2.059 8.152 0.153 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.665 8.849 0.077 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.960 10.969 -1.400 1.00 0.00 H new ATOM 0 HE1 TRP A 30 2.433 12.354 -2.961 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.025 7.734 -1.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -0.118 12.051 -4.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -1.929 8.347 -3.007 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -1.999 10.483 -4.220 1.00 0.00 H new ATOM 447 N ARG A 31 1.427 5.783 -1.356 1.00 0.00 N ATOM 448 CA ARG A 31 0.304 5.080 -1.959 1.00 0.00 C ATOM 449 C ARG A 31 -0.898 5.190 -1.050 1.00 0.00 C ATOM 450 O ARG A 31 -0.816 5.772 0.027 1.00 0.00 O ATOM 451 CB ARG A 31 0.607 3.605 -2.215 1.00 0.00 C ATOM 452 CG ARG A 31 1.690 3.360 -3.245 1.00 0.00 C ATOM 453 CD ARG A 31 1.647 1.931 -3.763 1.00 0.00 C ATOM 454 NE ARG A 31 2.792 1.640 -4.618 1.00 0.00 N ATOM 455 CZ ARG A 31 2.845 0.644 -5.494 1.00 0.00 C ATOM 456 NH1 ARG A 31 1.856 -0.242 -5.569 1.00 0.00 N ATOM 457 NH2 ARG A 31 3.907 0.522 -6.277 1.00 0.00 N ATOM 0 H ARG A 31 1.501 5.653 -0.347 1.00 0.00 H new ATOM 0 HA ARG A 31 0.106 5.546 -2.924 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.904 3.139 -1.275 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.307 3.110 -2.542 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.568 4.054 -4.076 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.666 3.560 -2.804 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.634 1.238 -2.922 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.724 1.772 -4.321 1.00 0.00 H new ATOM 0 HE ARG A 31 3.610 2.244 -4.537 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.049 -0.159 -4.951 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.904 -1.004 -6.245 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.674 1.190 -6.203 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.957 -0.240 -6.953 1.00 0.00 H new ATOM 471 N CYS A 32 -1.992 4.581 -1.458 1.00 0.00 N ATOM 472 CA CYS A 32 -3.235 4.690 -0.727 1.00 0.00 C ATOM 473 C CYS A 32 -3.502 3.357 -0.094 1.00 0.00 C ATOM 474 O CYS A 32 -3.461 2.322 -0.758 1.00 0.00 O ATOM 475 CB CYS A 32 -4.392 5.031 -1.672 1.00 0.00 C ATOM 476 SG CYS A 32 -4.161 6.576 -2.601 1.00 0.00 S ATOM 0 H CYS A 32 -2.044 4.003 -2.297 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.157 5.481 0.019 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.524 4.211 -2.378 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.312 5.103 -1.092 1.00 0.00 H new ATOM 481 N LEU A 33 -3.720 3.407 1.211 1.00 0.00 N ATOM 482 CA LEU A 33 -3.757 2.220 2.036 1.00 0.00 C ATOM 483 C LEU A 33 -4.818 1.251 1.545 1.00 0.00 C ATOM 484 O LEU A 33 -5.729 1.625 0.815 1.00 0.00 O ATOM 485 CB LEU A 33 -4.011 2.598 3.494 1.00 0.00 C ATOM 486 CG LEU A 33 -3.104 3.681 4.091 1.00 0.00 C ATOM 487 CD1 LEU A 33 -3.081 3.572 5.602 1.00 0.00 C ATOM 488 CD2 LEU A 33 -1.691 3.615 3.546 1.00 0.00 C ATOM 0 H LEU A 33 -3.876 4.275 1.724 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.789 1.724 1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.045 2.932 3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.912 1.698 4.101 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.521 4.645 3.800 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.433 4.347 6.013 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.091 3.699 5.991 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.702 2.592 5.890 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.089 4.402 4.000 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.255 2.644 3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.711 3.751 2.465 1.00 0.00 H new ATOM 500 N LEU A 34 -4.690 0.015 1.968 1.00 0.00 N ATOM 501 CA LEU A 34 -5.502 -1.064 1.462 1.00 0.00 C ATOM 502 C LEU A 34 -6.978 -0.809 1.689 1.00 0.00 C ATOM 503 O LEU A 34 -7.396 -0.404 2.774 1.00 0.00 O ATOM 504 CB LEU A 34 -5.046 -2.359 2.111 1.00 0.00 C ATOM 505 CG LEU A 34 -3.549 -2.606 1.954 1.00 0.00 C ATOM 506 CD1 LEU A 34 -3.133 -3.905 2.606 1.00 0.00 C ATOM 507 CD2 LEU A 34 -3.183 -2.595 0.484 1.00 0.00 C ATOM 0 H LEU A 34 -4.015 -0.271 2.677 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.373 -1.138 0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.296 -2.336 3.172 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.595 -3.192 1.672 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.010 -1.805 2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.061 -4.050 2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.368 -3.870 3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.670 -4.733 2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.113 -2.772 0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.735 -3.379 -0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.437 -1.627 0.053 1.00 0.00 H new ATOM 519 N GLY A 35 -7.753 -1.010 0.639 1.00 0.00 N ATOM 520 CA GLY A 35 -9.165 -0.745 0.697 1.00 0.00 C ATOM 521 C GLY A 35 -9.488 0.648 0.219 1.00 0.00 C ATOM 522 O GLY A 35 -10.616 0.931 -0.159 1.00 0.00 O ATOM 0 H GLY A 35 -7.421 -1.356 -0.261 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.698 -1.473 0.085 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.518 -0.870 1.721 1.00 0.00 H new ATOM 526 N TYR A 36 -8.490 1.518 0.210 1.00 0.00 N ATOM 527 CA TYR A 36 -8.711 2.918 -0.091 1.00 0.00 C ATOM 528 C TYR A 36 -8.549 3.184 -1.573 1.00 0.00 C ATOM 529 O TYR A 36 -8.257 2.279 -2.352 1.00 0.00 O ATOM 530 CB TYR A 36 -7.749 3.794 0.698 1.00 0.00 C ATOM 531 CG TYR A 36 -7.846 3.632 2.198 1.00 0.00 C ATOM 532 CD1 TYR A 36 -8.749 2.754 2.791 1.00 0.00 C ATOM 533 CD2 TYR A 36 -7.018 4.361 3.017 1.00 0.00 C ATOM 534 CE1 TYR A 36 -8.816 2.621 4.163 1.00 0.00 C ATOM 535 CE2 TYR A 36 -7.077 4.236 4.390 1.00 0.00 C ATOM 536 CZ TYR A 36 -7.976 3.362 4.959 1.00 0.00 C ATOM 537 OH TYR A 36 -8.038 3.233 6.328 1.00 0.00 O ATOM 0 H TYR A 36 -7.519 1.276 0.408 1.00 0.00 H new ATOM 0 HA TYR A 36 -9.733 3.164 0.198 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.730 3.567 0.385 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.935 4.838 0.444 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.408 2.168 2.167 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.307 5.045 2.578 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.525 1.938 4.609 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.420 4.822 5.016 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.934 2.290 6.573 1.00 0.00 H new ATOM 547 N LYS A 37 -8.742 4.429 -1.952 1.00 0.00 N ATOM 548 CA LYS A 37 -8.719 4.811 -3.340 1.00 0.00 C ATOM 549 C LYS A 37 -8.083 6.180 -3.510 1.00 0.00 C ATOM 550 O LYS A 37 -7.869 6.902 -2.533 1.00 0.00 O ATOM 551 CB LYS A 37 -10.151 4.834 -3.841 1.00 0.00 C ATOM 552 CG LYS A 37 -11.068 5.600 -2.934 1.00 0.00 C ATOM 553 CD LYS A 37 -12.351 5.893 -3.645 1.00 0.00 C ATOM 554 CE LYS A 37 -12.178 7.025 -4.642 1.00 0.00 C ATOM 555 NZ LYS A 37 -13.357 7.172 -5.534 1.00 0.00 N ATOM 0 H LYS A 37 -8.918 5.199 -1.307 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.126 4.097 -3.912 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.177 5.278 -4.836 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.514 3.811 -3.939 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.265 5.024 -2.030 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.593 6.530 -2.622 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.696 4.998 -4.163 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.120 6.158 -2.919 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.013 7.959 -4.104 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.289 6.843 -5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.195 7.956 -6.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.501 6.291 -6.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.202 7.372 -4.962 1.00 0.00 H new ATOM 569 N LYS A 38 -7.787 6.525 -4.751 1.00 0.00 N ATOM 570 CA LYS A 38 -7.237 7.830 -5.069 1.00 0.00 C ATOM 571 C LYS A 38 -8.371 8.797 -5.362 1.00 0.00 C ATOM 572 O LYS A 38 -9.255 8.500 -6.169 1.00 0.00 O ATOM 573 CB LYS A 38 -6.296 7.739 -6.274 1.00 0.00 C ATOM 574 CG LYS A 38 -5.361 8.925 -6.387 1.00 0.00 C ATOM 575 CD LYS A 38 -4.322 8.919 -5.281 1.00 0.00 C ATOM 576 CE LYS A 38 -3.075 8.150 -5.692 1.00 0.00 C ATOM 577 NZ LYS A 38 -3.248 6.677 -5.587 1.00 0.00 N ATOM 0 H LYS A 38 -7.919 5.916 -5.558 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.663 8.191 -4.215 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.707 6.825 -6.199 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.889 7.663 -7.186 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.863 8.906 -7.356 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.937 9.850 -6.342 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.052 9.944 -5.029 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.748 8.471 -4.383 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.815 8.409 -6.719 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.239 8.459 -5.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.318 6.225 -5.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.842 6.455 -4.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.705 6.319 -6.450 1.00 0.00 H new ATOM 591 N GLY A 39 -8.348 9.946 -4.702 1.00 0.00 N ATOM 592 CA GLY A 39 -9.456 10.869 -4.797 1.00 0.00 C ATOM 593 C GLY A 39 -9.170 12.078 -5.664 1.00 0.00 C ATOM 594 O GLY A 39 -8.985 11.961 -6.878 1.00 0.00 O ATOM 0 H GLY A 39 -7.582 10.254 -4.103 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.322 10.343 -5.198 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.723 11.206 -3.796 1.00 0.00 H new ATOM 598 N GLU A 40 -9.137 13.237 -5.024 1.00 0.00 N ATOM 599 CA GLU A 40 -8.926 14.513 -5.694 1.00 0.00 C ATOM 600 C GLU A 40 -7.454 14.708 -6.063 1.00 0.00 C ATOM 601 O GLU A 40 -6.784 15.615 -5.567 1.00 0.00 O ATOM 602 CB GLU A 40 -9.404 15.646 -4.779 1.00 0.00 C ATOM 603 CG GLU A 40 -8.775 15.606 -3.391 1.00 0.00 C ATOM 604 CD GLU A 40 -9.351 16.640 -2.449 1.00 0.00 C ATOM 605 OE1 GLU A 40 -10.490 16.445 -1.978 1.00 0.00 O ATOM 606 OE2 GLU A 40 -8.672 17.650 -2.174 1.00 0.00 O ATOM 0 H GLU A 40 -9.257 13.320 -4.014 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.500 14.524 -6.621 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.174 16.603 -5.247 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.488 15.591 -4.681 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.917 14.614 -2.963 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.700 15.764 -3.481 1.00 0.00 H new ATOM 613 N GLY A 41 -6.946 13.845 -6.921 1.00 0.00 N ATOM 614 CA GLY A 41 -5.570 13.959 -7.341 1.00 0.00 C ATOM 615 C GLY A 41 -4.626 13.229 -6.412 1.00 0.00 C ATOM 616 O GLY A 41 -4.739 12.019 -6.228 1.00 0.00 O ATOM 0 H GLY A 41 -7.461 13.068 -7.335 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.466 13.559 -8.350 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.292 15.012 -7.385 1.00 0.00 H new ATOM 620 N ASN A 42 -3.709 13.971 -5.805 1.00 0.00 N ATOM 621 CA ASN A 42 -2.729 13.393 -4.889 1.00 0.00 C ATOM 622 C ASN A 42 -3.342 13.161 -3.510 1.00 0.00 C ATOM 623 O ASN A 42 -2.841 13.641 -2.495 1.00 0.00 O ATOM 624 CB ASN A 42 -1.487 14.296 -4.796 1.00 0.00 C ATOM 625 CG ASN A 42 -1.806 15.736 -4.420 1.00 0.00 C ATOM 626 OD1 ASN A 42 -2.125 16.560 -5.281 1.00 0.00 O ATOM 627 ND2 ASN A 42 -1.703 16.057 -3.141 1.00 0.00 N ATOM 0 H ASN A 42 -3.622 14.980 -5.930 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.420 12.424 -5.281 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.801 13.880 -4.058 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.969 14.286 -5.755 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.890 17.013 -2.838 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.437 15.349 -2.457 1.00 0.00 H new ATOM 634 N THR A 43 -4.416 12.390 -3.481 1.00 0.00 N ATOM 635 CA THR A 43 -5.158 12.162 -2.258 1.00 0.00 C ATOM 636 C THR A 43 -5.652 10.739 -2.163 1.00 0.00 C ATOM 637 O THR A 43 -6.050 10.133 -3.155 1.00 0.00 O ATOM 638 CB THR A 43 -6.362 13.092 -2.160 1.00 0.00 C ATOM 639 OG1 THR A 43 -6.950 13.226 -3.448 1.00 0.00 O ATOM 640 CG2 THR A 43 -5.954 14.449 -1.627 1.00 0.00 C ATOM 0 H THR A 43 -4.793 11.910 -4.298 1.00 0.00 H new ATOM 0 HA THR A 43 -4.467 12.362 -1.439 1.00 0.00 H new ATOM 0 HB THR A 43 -7.087 12.665 -1.467 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.090 12.338 -3.837 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.830 15.095 -1.566 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.518 14.334 -0.634 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.219 14.897 -2.296 1.00 0.00 H new ATOM 648 N CYS A 44 -5.633 10.219 -0.960 1.00 0.00 N ATOM 649 CA CYS A 44 -6.152 8.902 -0.695 1.00 0.00 C ATOM 650 C CYS A 44 -7.328 9.006 0.245 1.00 0.00 C ATOM 651 O CYS A 44 -7.297 9.776 1.206 1.00 0.00 O ATOM 652 CB CYS A 44 -5.066 8.022 -0.104 1.00 0.00 C ATOM 653 SG CYS A 44 -3.598 7.895 -1.172 1.00 0.00 S ATOM 0 H CYS A 44 -5.258 10.696 -0.140 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.486 8.448 -1.628 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.770 8.421 0.866 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.469 7.025 0.071 1.00 0.00 H new ATOM 658 N VAL A 45 -8.356 8.233 -0.039 1.00 0.00 N ATOM 659 CA VAL A 45 -9.591 8.279 0.715 1.00 0.00 C ATOM 660 C VAL A 45 -10.126 6.882 0.913 1.00 0.00 C ATOM 661 O VAL A 45 -9.871 5.987 0.105 1.00 0.00 O ATOM 662 CB VAL A 45 -10.668 9.137 0.018 1.00 0.00 C ATOM 663 CG1 VAL A 45 -10.288 10.605 0.047 1.00 0.00 C ATOM 664 CG2 VAL A 45 -10.881 8.688 -1.419 1.00 0.00 C ATOM 0 H VAL A 45 -8.358 7.554 -0.800 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.363 8.738 1.677 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.601 9.002 0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.061 11.191 -0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.191 10.935 1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.338 10.745 -0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.645 9.310 -1.885 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.947 8.784 -1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.204 7.647 -1.431 1.00 0.00 H new ATOM 674 N GLU A 46 -10.844 6.703 1.999 1.00 0.00 N ATOM 675 CA GLU A 46 -11.403 5.416 2.334 1.00 0.00 C ATOM 676 C GLU A 46 -12.444 4.975 1.326 1.00 0.00 C ATOM 677 O GLU A 46 -13.412 5.686 1.045 1.00 0.00 O ATOM 678 CB GLU A 46 -12.039 5.457 3.714 1.00 0.00 C ATOM 679 CG GLU A 46 -11.055 5.320 4.855 1.00 0.00 C ATOM 680 CD GLU A 46 -11.721 5.498 6.203 1.00 0.00 C ATOM 681 OE1 GLU A 46 -11.869 6.651 6.653 1.00 0.00 O ATOM 682 OE2 GLU A 46 -12.110 4.481 6.813 1.00 0.00 O ATOM 0 H GLU A 46 -11.055 7.442 2.670 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.582 4.699 2.322 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.578 6.398 3.825 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.776 4.657 3.786 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.583 4.339 4.811 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.263 6.060 4.741 1.00 0.00 H new ATOM 689 N ASN A 47 -12.225 3.800 0.782 1.00 0.00 N ATOM 690 CA ASN A 47 -13.197 3.148 -0.056 1.00 0.00 C ATOM 691 C ASN A 47 -13.717 1.919 0.673 1.00 0.00 C ATOM 692 O ASN A 47 -12.956 1.027 1.028 1.00 0.00 O ATOM 693 CB ASN A 47 -12.554 2.770 -1.391 1.00 0.00 C ATOM 694 CG ASN A 47 -13.455 1.972 -2.305 1.00 0.00 C ATOM 695 OD1 ASN A 47 -14.682 2.061 -2.243 1.00 0.00 O ATOM 696 ND2 ASN A 47 -12.835 1.208 -3.184 1.00 0.00 N ATOM 0 H ASN A 47 -11.363 3.270 0.911 1.00 0.00 H new ATOM 0 HA ASN A 47 -14.033 3.816 -0.265 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -12.247 3.681 -1.905 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.649 2.194 -1.196 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -13.375 0.658 -3.852 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.816 1.168 -3.196 1.00 0.00 H new ATOM 703 N ASN A 48 -15.000 1.900 0.956 1.00 0.00 N ATOM 704 CA ASN A 48 -15.597 0.765 1.635 1.00 0.00 C ATOM 705 C ASN A 48 -16.196 -0.202 0.629 1.00 0.00 C ATOM 706 O ASN A 48 -16.982 -1.085 0.974 1.00 0.00 O ATOM 707 CB ASN A 48 -16.635 1.222 2.655 1.00 0.00 C ATOM 708 CG ASN A 48 -16.102 1.127 4.072 1.00 0.00 C ATOM 709 OD1 ASN A 48 -16.375 0.162 4.783 1.00 0.00 O ATOM 710 ND2 ASN A 48 -15.295 2.100 4.471 1.00 0.00 N ATOM 0 H ASN A 48 -15.650 2.652 0.729 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.813 0.239 2.180 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.926 2.251 2.443 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -17.533 0.611 2.561 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.875 2.065 5.400 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -15.095 2.883 3.849 1.00 0.00 H new ATOM 717 N ASN A 49 -15.793 -0.029 -0.621 1.00 0.00 N ATOM 718 CA ASN A 49 -16.132 -0.962 -1.683 1.00 0.00 C ATOM 719 C ASN A 49 -14.899 -1.278 -2.563 1.00 0.00 C ATOM 720 O ASN A 49 -14.977 -1.219 -3.791 1.00 0.00 O ATOM 721 CB ASN A 49 -17.241 -0.354 -2.532 1.00 0.00 C ATOM 722 CG ASN A 49 -17.807 -1.316 -3.562 1.00 0.00 C ATOM 723 OD1 ASN A 49 -17.801 -2.531 -3.370 1.00 0.00 O ATOM 724 ND2 ASN A 49 -18.308 -0.774 -4.662 1.00 0.00 N ATOM 0 H ASN A 49 -15.223 0.760 -0.926 1.00 0.00 H new ATOM 0 HA ASN A 49 -16.470 -1.899 -1.240 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -18.046 -0.018 -1.879 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -16.855 0.528 -3.043 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -18.708 -1.369 -5.387 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -18.294 0.239 -4.784 1.00 0.00 H new ATOM 731 N PRO A 50 -13.722 -1.568 -1.961 1.00 0.00 N ATOM 732 CA PRO A 50 -12.544 -1.981 -2.720 1.00 0.00 C ATOM 733 C PRO A 50 -12.739 -3.329 -3.393 1.00 0.00 C ATOM 734 O PRO A 50 -13.258 -4.272 -2.799 1.00 0.00 O ATOM 735 CB PRO A 50 -11.428 -2.075 -1.684 1.00 0.00 C ATOM 736 CG PRO A 50 -12.117 -2.176 -0.379 1.00 0.00 C ATOM 737 CD PRO A 50 -13.428 -1.479 -0.532 1.00 0.00 C ATOM 0 HA PRO A 50 -12.328 -1.274 -3.521 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.796 -2.945 -1.864 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.782 -1.198 -1.721 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.263 -3.219 -0.098 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -11.523 -1.714 0.409 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.205 -1.958 0.064 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -13.367 -0.442 -0.203 1.00 0.00 H new ATOM 745 N THR A 51 -12.318 -3.400 -4.634 1.00 0.00 N ATOM 746 CA THR A 51 -12.420 -4.614 -5.413 1.00 0.00 C ATOM 747 C THR A 51 -11.036 -5.041 -5.861 1.00 0.00 C ATOM 748 O THR A 51 -10.148 -4.198 -6.020 1.00 0.00 O ATOM 749 CB THR A 51 -13.337 -4.427 -6.644 1.00 0.00 C ATOM 750 OG1 THR A 51 -13.544 -5.682 -7.302 1.00 0.00 O ATOM 751 CG2 THR A 51 -12.746 -3.432 -7.635 1.00 0.00 C ATOM 0 H THR A 51 -11.895 -2.618 -5.133 1.00 0.00 H new ATOM 0 HA THR A 51 -12.864 -5.386 -4.784 1.00 0.00 H new ATOM 0 HB THR A 51 -14.289 -4.035 -6.287 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.127 -5.552 -8.079 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.417 -3.325 -8.487 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.621 -2.465 -7.148 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.777 -3.793 -7.979 1.00 0.00 H new ATOM 759 N CYS A 52 -10.828 -6.331 -6.054 1.00 0.00 N ATOM 760 CA CYS A 52 -9.562 -6.776 -6.579 1.00 0.00 C ATOM 761 C CYS A 52 -9.658 -6.671 -8.086 1.00 0.00 C ATOM 762 O CYS A 52 -10.583 -7.221 -8.688 1.00 0.00 O ATOM 763 CB CYS A 52 -9.285 -8.221 -6.163 1.00 0.00 C ATOM 764 SG CYS A 52 -7.547 -8.732 -6.362 1.00 0.00 S ATOM 0 H CYS A 52 -11.505 -7.069 -5.859 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.745 -6.167 -6.193 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -9.573 -8.349 -5.120 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -9.918 -8.885 -6.752 1.00 0.00 H new ATOM 769 N ASP A 53 -8.662 -6.015 -8.668 1.00 0.00 N ATOM 770 CA ASP A 53 -8.703 -5.525 -10.049 1.00 0.00 C ATOM 771 C ASP A 53 -7.942 -4.216 -10.086 1.00 0.00 C ATOM 772 O ASP A 53 -7.059 -4.007 -10.917 1.00 0.00 O ATOM 773 CB ASP A 53 -10.135 -5.240 -10.531 1.00 0.00 C ATOM 774 CG ASP A 53 -10.206 -4.932 -12.016 1.00 0.00 C ATOM 775 OD1 ASP A 53 -9.941 -3.772 -12.400 1.00 0.00 O ATOM 776 OD2 ASP A 53 -10.550 -5.840 -12.802 1.00 0.00 O ATOM 0 H ASP A 53 -7.786 -5.803 -8.190 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.274 -6.291 -10.696 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.765 -6.102 -10.313 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.541 -4.398 -9.970 1.00 0.00 H new ATOM 781 N ILE A 54 -8.281 -3.345 -9.138 1.00 0.00 N ATOM 782 CA ILE A 54 -7.695 -2.021 -9.058 1.00 0.00 C ATOM 783 C ILE A 54 -6.360 -2.092 -8.361 1.00 0.00 C ATOM 784 O ILE A 54 -6.306 -2.069 -7.134 1.00 0.00 O ATOM 785 CB ILE A 54 -8.594 -1.052 -8.272 1.00 0.00 C ATOM 786 CG1 ILE A 54 -9.999 -1.017 -8.879 1.00 0.00 C ATOM 787 CG2 ILE A 54 -7.965 0.340 -8.246 1.00 0.00 C ATOM 788 CD1 ILE A 54 -10.984 -0.184 -8.086 1.00 0.00 C ATOM 0 H ILE A 54 -8.967 -3.542 -8.409 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.580 -1.654 -10.078 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.685 -1.403 -7.244 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.937 -0.623 -9.893 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.378 -2.036 -8.956 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.608 1.020 -7.687 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.988 0.289 -7.766 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.849 0.706 -9.266 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.957 -0.206 -8.577 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.076 -0.590 -7.079 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -10.629 0.845 -8.031 1.00 0.00 H new ATOM 800 N ASN A 55 -5.295 -2.203 -9.140 1.00 0.00 N ATOM 801 CA ASN A 55 -3.954 -2.284 -8.578 1.00 0.00 C ATOM 802 C ASN A 55 -3.891 -3.433 -7.583 1.00 0.00 C ATOM 803 O ASN A 55 -3.384 -3.286 -6.474 1.00 0.00 O ATOM 804 CB ASN A 55 -3.608 -0.961 -7.889 1.00 0.00 C ATOM 805 CG ASN A 55 -2.123 -0.737 -7.711 1.00 0.00 C ATOM 806 OD1 ASN A 55 -1.432 -0.283 -8.623 1.00 0.00 O ATOM 807 ND2 ASN A 55 -1.637 -1.009 -6.529 1.00 0.00 N ATOM 0 H ASN A 55 -5.332 -2.239 -10.159 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.231 -2.466 -9.373 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.023 -0.139 -8.472 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.090 -0.934 -6.912 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.649 -0.846 -6.334 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.245 -1.384 -5.801 1.00 0.00 H new ATOM 814 N ASN A 56 -4.473 -4.568 -7.977 1.00 0.00 N ATOM 815 CA ASN A 56 -4.523 -5.763 -7.132 1.00 0.00 C ATOM 816 C ASN A 56 -5.297 -5.448 -5.857 1.00 0.00 C ATOM 817 O ASN A 56 -4.954 -5.919 -4.792 1.00 0.00 O ATOM 818 CB ASN A 56 -3.117 -6.270 -6.744 1.00 0.00 C ATOM 819 CG ASN A 56 -2.042 -5.909 -7.728 1.00 0.00 C ATOM 820 OD1 ASN A 56 -2.153 -6.144 -8.933 1.00 0.00 O ATOM 821 ND2 ASN A 56 -0.997 -5.312 -7.207 1.00 0.00 N ATOM 0 H ASN A 56 -4.921 -4.684 -8.886 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.016 -6.546 -7.708 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.853 -5.863 -5.768 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.150 -7.354 -6.639 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.226 -5.018 -7.807 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.955 -5.141 -6.202 1.00 0.00 H new ATOM 828 N GLY A 57 -6.308 -4.598 -5.968 1.00 0.00 N ATOM 829 CA GLY A 57 -7.126 -4.263 -4.817 1.00 0.00 C ATOM 830 C GLY A 57 -6.525 -3.148 -3.981 1.00 0.00 C ATOM 831 O GLY A 57 -7.111 -2.720 -2.991 1.00 0.00 O ATOM 0 H GLY A 57 -6.578 -4.133 -6.835 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.118 -3.965 -5.155 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.254 -5.150 -4.196 1.00 0.00 H new ATOM 835 N GLY A 58 -5.365 -2.660 -4.401 1.00 0.00 N ATOM 836 CA GLY A 58 -4.654 -1.668 -3.623 1.00 0.00 C ATOM 837 C GLY A 58 -3.332 -2.208 -3.104 1.00 0.00 C ATOM 838 O GLY A 58 -2.661 -1.582 -2.288 1.00 0.00 O ATOM 0 H GLY A 58 -4.904 -2.935 -5.268 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.472 -0.786 -4.236 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.273 -1.351 -2.784 1.00 0.00 H new ATOM 842 N CYS A 59 -2.952 -3.354 -3.639 1.00 0.00 N ATOM 843 CA CYS A 59 -1.760 -4.080 -3.241 1.00 0.00 C ATOM 844 C CYS A 59 -0.679 -3.892 -4.275 1.00 0.00 C ATOM 845 O CYS A 59 -0.843 -3.184 -5.258 1.00 0.00 O ATOM 846 CB CYS A 59 -2.047 -5.580 -3.164 1.00 0.00 C ATOM 847 SG CYS A 59 -3.604 -6.037 -2.331 1.00 0.00 S ATOM 0 H CYS A 59 -3.477 -3.817 -4.381 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.448 -3.699 -2.268 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.065 -5.982 -4.177 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.221 -6.065 -2.644 1.00 0.00 H new ATOM 852 N ASP A 60 0.420 -4.549 -4.041 1.00 0.00 N ATOM 853 CA ASP A 60 1.516 -4.565 -4.973 1.00 0.00 C ATOM 854 C ASP A 60 1.400 -5.857 -5.732 1.00 0.00 C ATOM 855 O ASP A 60 0.863 -6.816 -5.210 1.00 0.00 O ATOM 856 CB ASP A 60 2.817 -4.550 -4.187 1.00 0.00 C ATOM 857 CG ASP A 60 4.040 -4.320 -5.050 1.00 0.00 C ATOM 858 OD1 ASP A 60 4.589 -5.309 -5.576 1.00 0.00 O ATOM 859 OD2 ASP A 60 4.464 -3.157 -5.199 1.00 0.00 O ATOM 0 H ASP A 60 0.584 -5.093 -3.194 1.00 0.00 H new ATOM 0 HA ASP A 60 1.499 -3.708 -5.647 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.765 -3.769 -3.428 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.926 -5.499 -3.661 1.00 0.00 H new ATOM 864 N PRO A 61 1.779 -5.875 -7.009 1.00 0.00 N ATOM 865 CA PRO A 61 1.656 -7.074 -7.834 1.00 0.00 C ATOM 866 C PRO A 61 2.421 -8.259 -7.248 1.00 0.00 C ATOM 867 O PRO A 61 2.264 -9.398 -7.692 1.00 0.00 O ATOM 868 CB PRO A 61 2.259 -6.663 -9.175 1.00 0.00 C ATOM 869 CG PRO A 61 2.249 -5.176 -9.191 1.00 0.00 C ATOM 870 CD PRO A 61 2.300 -4.724 -7.762 1.00 0.00 C ATOM 0 HA PRO A 61 0.620 -7.406 -7.908 1.00 0.00 H new ATOM 0 HB2 PRO A 61 3.273 -7.047 -9.281 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.677 -7.066 -10.004 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.102 -4.790 -9.749 1.00 0.00 H new ATOM 0 HG3 PRO A 61 1.351 -4.801 -9.683 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.317 -4.474 -7.458 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.692 -3.834 -7.602 1.00 0.00 H new ATOM 878 N THR A 62 3.267 -7.971 -6.269 1.00 0.00 N ATOM 879 CA THR A 62 3.996 -8.994 -5.543 1.00 0.00 C ATOM 880 C THR A 62 3.305 -9.282 -4.213 1.00 0.00 C ATOM 881 O THR A 62 3.724 -10.143 -3.441 1.00 0.00 O ATOM 882 CB THR A 62 5.451 -8.543 -5.317 1.00 0.00 C ATOM 883 OG1 THR A 62 5.499 -7.461 -4.379 1.00 0.00 O ATOM 884 CG2 THR A 62 6.042 -8.075 -6.634 1.00 0.00 C ATOM 0 H THR A 62 3.465 -7.020 -5.958 1.00 0.00 H new ATOM 0 HA THR A 62 4.008 -9.912 -6.130 1.00 0.00 H new ATOM 0 HB THR A 62 6.021 -9.385 -4.924 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.881 -6.755 -4.662 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.072 -7.755 -6.477 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.022 -8.894 -7.353 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.457 -7.240 -7.019 1.00 0.00 H new ATOM 892 N ALA A 63 2.251 -8.529 -3.956 1.00 0.00 N ATOM 893 CA ALA A 63 1.339 -8.796 -2.864 1.00 0.00 C ATOM 894 C ALA A 63 0.088 -9.484 -3.403 1.00 0.00 C ATOM 895 O ALA A 63 -0.717 -8.862 -4.093 1.00 0.00 O ATOM 896 CB ALA A 63 0.964 -7.499 -2.159 1.00 0.00 C ATOM 0 H ALA A 63 2.003 -7.707 -4.507 1.00 0.00 H new ATOM 0 HA ALA A 63 1.827 -9.451 -2.142 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.278 -7.715 -1.340 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.863 -7.027 -1.764 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.482 -6.826 -2.868 1.00 0.00 H new ATOM 902 N SER A 64 -0.058 -10.766 -3.103 1.00 0.00 N ATOM 903 CA SER A 64 -1.215 -11.535 -3.539 1.00 0.00 C ATOM 904 C SER A 64 -2.494 -10.867 -3.057 1.00 0.00 C ATOM 905 O SER A 64 -2.645 -10.600 -1.864 1.00 0.00 O ATOM 906 CB SER A 64 -1.128 -12.969 -2.999 1.00 0.00 C ATOM 907 OG SER A 64 -2.185 -13.779 -3.490 1.00 0.00 O ATOM 0 H SER A 64 0.616 -11.300 -2.555 1.00 0.00 H new ATOM 0 HA SER A 64 -1.227 -11.572 -4.628 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.171 -13.407 -3.283 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.159 -12.950 -1.910 1.00 0.00 H new ATOM 0 HG SER A 64 -2.927 -13.772 -2.850 1.00 0.00 H new ATOM 913 N CYS A 65 -3.391 -10.578 -3.983 1.00 0.00 N ATOM 914 CA CYS A 65 -4.620 -9.891 -3.646 1.00 0.00 C ATOM 915 C CYS A 65 -5.767 -10.855 -3.470 1.00 0.00 C ATOM 916 O CYS A 65 -5.967 -11.783 -4.256 1.00 0.00 O ATOM 917 CB CYS A 65 -4.995 -8.865 -4.707 1.00 0.00 C ATOM 918 SG CYS A 65 -6.714 -8.262 -4.572 1.00 0.00 S ATOM 0 H CYS A 65 -3.290 -10.809 -4.971 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.437 -9.380 -2.701 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -4.315 -8.016 -4.635 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.851 -9.306 -5.693 1.00 0.00 H new ATOM 923 N GLN A 66 -6.504 -10.615 -2.417 1.00 0.00 N ATOM 924 CA GLN A 66 -7.731 -11.328 -2.133 1.00 0.00 C ATOM 925 C GLN A 66 -8.789 -10.297 -1.796 1.00 0.00 C ATOM 926 O GLN A 66 -8.516 -9.369 -1.040 1.00 0.00 O ATOM 927 CB GLN A 66 -7.540 -12.265 -0.941 1.00 0.00 C ATOM 928 CG GLN A 66 -6.092 -12.640 -0.713 1.00 0.00 C ATOM 929 CD GLN A 66 -5.675 -13.870 -1.489 1.00 0.00 C ATOM 930 OE1 GLN A 66 -4.521 -14.001 -1.901 1.00 0.00 O ATOM 931 NE2 GLN A 66 -6.609 -14.788 -1.677 1.00 0.00 N ATOM 0 H GLN A 66 -6.269 -9.909 -1.720 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.025 -11.927 -2.995 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -7.932 -11.787 -0.043 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.124 -13.171 -1.101 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.455 -11.803 -0.999 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.930 -12.815 0.351 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -7.552 -14.637 -1.318 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -6.386 -15.646 -2.181 1.00 0.00 H new ATOM 940 N ASN A 67 -9.977 -10.414 -2.349 1.00 0.00 N ATOM 941 CA ASN A 67 -11.014 -9.466 -1.994 1.00 0.00 C ATOM 942 C ASN A 67 -11.968 -10.058 -0.990 1.00 0.00 C ATOM 943 O ASN A 67 -12.315 -11.239 -1.037 1.00 0.00 O ATOM 944 CB ASN A 67 -11.776 -8.913 -3.197 1.00 0.00 C ATOM 945 CG ASN A 67 -12.441 -9.961 -4.056 1.00 0.00 C ATOM 946 OD1 ASN A 67 -11.986 -11.100 -4.155 1.00 0.00 O ATOM 947 ND2 ASN A 67 -13.521 -9.570 -4.701 1.00 0.00 N ATOM 0 H ASN A 67 -10.245 -11.130 -3.024 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.499 -8.619 -1.542 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.537 -8.218 -2.841 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.085 -8.340 -3.816 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -14.014 -10.221 -5.311 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.864 -8.616 -4.590 1.00 0.00 H new ATOM 954 N ALA A 68 -12.363 -9.209 -0.079 1.00 0.00 N ATOM 955 CA ALA A 68 -13.217 -9.584 1.027 1.00 0.00 C ATOM 956 C ALA A 68 -14.146 -8.443 1.367 1.00 0.00 C ATOM 957 O ALA A 68 -13.883 -7.290 1.022 1.00 0.00 O ATOM 958 CB ALA A 68 -12.388 -9.924 2.254 1.00 0.00 C ATOM 0 H ALA A 68 -12.100 -8.224 -0.080 1.00 0.00 H new ATOM 0 HA ALA A 68 -13.794 -10.460 0.730 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -13.050 -10.203 3.074 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.723 -10.757 2.025 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.796 -9.056 2.545 1.00 0.00 H new ATOM 964 N GLU A 69 -15.226 -8.759 2.044 1.00 0.00 N ATOM 965 CA GLU A 69 -16.079 -7.740 2.597 1.00 0.00 C ATOM 966 C GLU A 69 -16.005 -7.759 4.103 1.00 0.00 C ATOM 967 O GLU A 69 -16.843 -8.337 4.798 1.00 0.00 O ATOM 968 CB GLU A 69 -17.494 -7.889 2.116 1.00 0.00 C ATOM 969 CG GLU A 69 -17.962 -9.315 2.154 1.00 0.00 C ATOM 970 CD GLU A 69 -19.468 -9.449 2.129 1.00 0.00 C ATOM 971 OE1 GLU A 69 -20.117 -8.832 1.257 1.00 0.00 O ATOM 972 OE2 GLU A 69 -20.011 -10.170 2.987 1.00 0.00 O ATOM 0 H GLU A 69 -15.532 -9.715 2.223 1.00 0.00 H new ATOM 0 HA GLU A 69 -15.724 -6.770 2.249 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -18.151 -7.277 2.733 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -17.570 -7.511 1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -17.542 -9.851 1.303 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -17.576 -9.793 3.054 1.00 0.00 H new ATOM 979 N SER A 70 -14.969 -7.135 4.584 1.00 0.00 N ATOM 980 CA SER A 70 -14.717 -7.056 6.004 1.00 0.00 C ATOM 981 C SER A 70 -15.335 -5.774 6.537 1.00 0.00 C ATOM 982 O SER A 70 -15.645 -4.875 5.755 1.00 0.00 O ATOM 983 CB SER A 70 -13.210 -7.073 6.288 1.00 0.00 C ATOM 984 OG SER A 70 -12.934 -7.545 7.598 1.00 0.00 O ATOM 0 H SER A 70 -14.271 -6.665 4.007 1.00 0.00 H new ATOM 0 HA SER A 70 -15.162 -7.919 6.500 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.708 -7.708 5.558 1.00 0.00 H new ATOM 0 HB3 SER A 70 -12.805 -6.068 6.169 1.00 0.00 H new ATOM 0 HG SER A 70 -13.182 -6.859 8.252 1.00 0.00 H new ATOM 990 N THR A 71 -15.516 -5.672 7.842 1.00 0.00 N ATOM 991 CA THR A 71 -16.006 -4.436 8.434 1.00 0.00 C ATOM 992 C THR A 71 -15.019 -3.300 8.159 1.00 0.00 C ATOM 993 O THR A 71 -15.403 -2.151 7.936 1.00 0.00 O ATOM 994 CB THR A 71 -16.217 -4.597 9.954 1.00 0.00 C ATOM 995 OG1 THR A 71 -17.214 -5.600 10.206 1.00 0.00 O ATOM 996 CG2 THR A 71 -16.641 -3.282 10.591 1.00 0.00 C ATOM 0 H THR A 71 -15.333 -6.422 8.509 1.00 0.00 H new ATOM 0 HA THR A 71 -16.968 -4.196 7.980 1.00 0.00 H new ATOM 0 HB THR A 71 -15.269 -4.904 10.397 1.00 0.00 H new ATOM 0 HG1 THR A 71 -17.342 -5.699 11.173 1.00 0.00 H new ATOM 0 HG21 THR A 71 -16.782 -3.426 11.662 1.00 0.00 H new ATOM 0 HG22 THR A 71 -15.869 -2.531 10.424 1.00 0.00 H new ATOM 0 HG23 THR A 71 -17.576 -2.946 10.143 1.00 0.00 H new ATOM 1004 N GLU A 72 -13.744 -3.649 8.139 1.00 0.00 N ATOM 1005 CA GLU A 72 -12.681 -2.700 7.889 1.00 0.00 C ATOM 1006 C GLU A 72 -12.380 -2.645 6.396 1.00 0.00 C ATOM 1007 O GLU A 72 -12.163 -3.681 5.772 1.00 0.00 O ATOM 1008 CB GLU A 72 -11.407 -3.111 8.633 1.00 0.00 C ATOM 1009 CG GLU A 72 -11.633 -3.758 9.997 1.00 0.00 C ATOM 1010 CD GLU A 72 -11.876 -5.260 9.928 1.00 0.00 C ATOM 1011 OE1 GLU A 72 -12.937 -5.687 9.425 1.00 0.00 O ATOM 1012 OE2 GLU A 72 -11.002 -6.024 10.371 1.00 0.00 O ATOM 0 H GLU A 72 -13.419 -4.603 8.297 1.00 0.00 H new ATOM 0 HA GLU A 72 -13.006 -1.721 8.243 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.848 -3.806 8.007 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.782 -2.228 8.766 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.765 -3.568 10.628 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.487 -3.282 10.478 1.00 0.00 H new ATOM 1019 N ASN A 73 -12.369 -1.439 5.832 1.00 0.00 N ATOM 1020 CA ASN A 73 -11.997 -1.244 4.427 1.00 0.00 C ATOM 1021 C ASN A 73 -10.595 -1.752 4.163 1.00 0.00 C ATOM 1022 O ASN A 73 -10.319 -2.325 3.111 1.00 0.00 O ATOM 1023 CB ASN A 73 -12.081 0.228 4.004 1.00 0.00 C ATOM 1024 CG ASN A 73 -11.704 1.197 5.108 1.00 0.00 C ATOM 1025 OD1 ASN A 73 -10.855 0.909 5.953 1.00 0.00 O ATOM 1026 ND2 ASN A 73 -12.346 2.350 5.112 1.00 0.00 N ATOM 0 H ASN A 73 -12.613 -0.580 6.324 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.714 -1.815 3.837 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.424 0.390 3.149 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -13.096 0.445 3.672 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -12.146 3.043 5.834 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -13.042 2.549 4.393 1.00 0.00 H new ATOM 1033 N SER A 74 -9.715 -1.554 5.127 1.00 0.00 N ATOM 1034 CA SER A 74 -8.332 -1.952 4.975 1.00 0.00 C ATOM 1035 C SER A 74 -8.174 -3.457 5.135 1.00 0.00 C ATOM 1036 O SER A 74 -7.166 -4.036 4.725 1.00 0.00 O ATOM 1037 CB SER A 74 -7.467 -1.199 5.978 1.00 0.00 C ATOM 1038 OG SER A 74 -7.625 0.199 5.814 1.00 0.00 O ATOM 0 H SER A 74 -9.936 -1.120 6.023 1.00 0.00 H new ATOM 0 HA SER A 74 -8.003 -1.697 3.968 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.742 -1.486 6.993 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.420 -1.472 5.842 1.00 0.00 H new ATOM 0 HG SER A 74 -8.110 0.378 4.982 1.00 0.00 H new ATOM 1044 N LYS A 75 -9.180 -4.088 5.718 1.00 0.00 N ATOM 1045 CA LYS A 75 -9.179 -5.529 5.886 1.00 0.00 C ATOM 1046 C LYS A 75 -10.022 -6.200 4.812 1.00 0.00 C ATOM 1047 O LYS A 75 -10.218 -7.414 4.827 1.00 0.00 O ATOM 1048 CB LYS A 75 -9.684 -5.886 7.266 1.00 0.00 C ATOM 1049 CG LYS A 75 -8.705 -5.498 8.344 1.00 0.00 C ATOM 1050 CD LYS A 75 -7.733 -6.621 8.641 1.00 0.00 C ATOM 1051 CE LYS A 75 -8.442 -7.805 9.280 1.00 0.00 C ATOM 1052 NZ LYS A 75 -7.511 -8.939 9.530 1.00 0.00 N ATOM 0 H LYS A 75 -10.010 -3.621 6.084 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.157 -5.893 5.782 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.636 -5.386 7.444 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.873 -6.958 7.317 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.153 -4.610 8.034 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.247 -5.235 9.252 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.247 -6.939 7.719 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.949 -6.261 9.307 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.895 -7.493 10.221 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.252 -8.137 8.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.032 -9.726 9.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.098 -9.254 8.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.752 -8.630 10.170 1.00 0.00 H new ATOM 1066 N LYS A 76 -10.532 -5.397 3.881 1.00 0.00 N ATOM 1067 CA LYS A 76 -11.308 -5.925 2.774 1.00 0.00 C ATOM 1068 C LYS A 76 -10.388 -6.532 1.738 1.00 0.00 C ATOM 1069 O LYS A 76 -10.582 -7.655 1.296 1.00 0.00 O ATOM 1070 CB LYS A 76 -12.142 -4.853 2.107 1.00 0.00 C ATOM 1071 CG LYS A 76 -13.217 -4.258 2.994 1.00 0.00 C ATOM 1072 CD LYS A 76 -14.083 -3.309 2.197 1.00 0.00 C ATOM 1073 CE LYS A 76 -14.847 -2.326 3.069 1.00 0.00 C ATOM 1074 NZ LYS A 76 -15.858 -2.991 3.929 1.00 0.00 N ATOM 0 H LYS A 76 -10.420 -4.383 3.875 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.976 -6.683 3.184 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.483 -4.054 1.769 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.612 -5.275 1.219 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.830 -5.053 3.418 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.758 -3.729 3.829 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.457 -2.755 1.498 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -14.792 -3.885 1.602 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.143 -1.781 3.698 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.342 -1.592 2.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.362 -2.275 4.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -16.538 -3.504 3.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.384 -3.661 4.568 1.00 0.00 H new ATOM 1088 N ILE A 77 -9.391 -5.773 1.336 1.00 0.00 N ATOM 1089 CA ILE A 77 -8.428 -6.267 0.377 1.00 0.00 C ATOM 1090 C ILE A 77 -7.231 -6.839 1.099 1.00 0.00 C ATOM 1091 O ILE A 77 -6.526 -6.141 1.832 1.00 0.00 O ATOM 1092 CB ILE A 77 -7.962 -5.173 -0.602 1.00 0.00 C ATOM 1093 CG1 ILE A 77 -9.149 -4.623 -1.387 1.00 0.00 C ATOM 1094 CG2 ILE A 77 -6.907 -5.713 -1.552 1.00 0.00 C ATOM 1095 CD1 ILE A 77 -9.871 -5.674 -2.203 1.00 0.00 C ATOM 0 H ILE A 77 -9.227 -4.818 1.656 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.923 -7.044 -0.206 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.519 -4.363 -0.023 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -9.854 -4.166 -0.692 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.800 -3.834 -2.053 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.593 -4.923 -2.234 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.047 -6.062 -0.980 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.323 -6.542 -2.124 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.703 -5.213 -2.735 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -9.180 -6.115 -2.922 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.250 -6.452 -1.540 1.00 0.00 H new ATOM 1107 N ILE A 78 -7.034 -8.119 0.906 1.00 0.00 N ATOM 1108 CA ILE A 78 -5.926 -8.826 1.507 1.00 0.00 C ATOM 1109 C ILE A 78 -4.728 -8.806 0.573 1.00 0.00 C ATOM 1110 O ILE A 78 -4.812 -9.269 -0.561 1.00 0.00 O ATOM 1111 CB ILE A 78 -6.280 -10.291 1.838 1.00 0.00 C ATOM 1112 CG1 ILE A 78 -7.491 -10.374 2.776 1.00 0.00 C ATOM 1113 CG2 ILE A 78 -5.086 -10.997 2.458 1.00 0.00 C ATOM 1114 CD1 ILE A 78 -8.822 -10.175 2.081 1.00 0.00 C ATOM 0 H ILE A 78 -7.637 -8.703 0.327 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.689 -8.315 2.440 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.542 -10.790 0.905 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.491 -11.347 3.268 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.385 -9.622 3.558 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.352 -12.029 2.686 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.251 -10.983 1.757 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.797 -10.486 3.376 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.628 -10.248 2.811 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.844 -9.191 1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.953 -10.943 1.318 1.00 0.00 H new ATOM 1126 N CYS A 79 -3.637 -8.248 1.054 1.00 0.00 N ATOM 1127 CA CYS A 79 -2.406 -8.182 0.288 1.00 0.00 C ATOM 1128 C CYS A 79 -1.321 -9.001 0.981 1.00 0.00 C ATOM 1129 O CYS A 79 -1.015 -8.779 2.153 1.00 0.00 O ATOM 1130 CB CYS A 79 -1.971 -6.726 0.136 1.00 0.00 C ATOM 1131 SG CYS A 79 -3.309 -5.609 -0.374 1.00 0.00 S ATOM 0 H CYS A 79 -3.576 -7.829 1.982 1.00 0.00 H new ATOM 0 HA CYS A 79 -2.572 -8.600 -0.705 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.562 -6.378 1.085 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.166 -6.672 -0.597 1.00 0.00 H new ATOM 1136 N THR A 80 -0.766 -9.964 0.267 1.00 0.00 N ATOM 1137 CA THR A 80 0.247 -10.846 0.830 1.00 0.00 C ATOM 1138 C THR A 80 1.503 -10.887 -0.036 1.00 0.00 C ATOM 1139 O THR A 80 1.485 -11.413 -1.146 1.00 0.00 O ATOM 1140 CB THR A 80 -0.309 -12.271 0.994 1.00 0.00 C ATOM 1141 OG1 THR A 80 -1.388 -12.262 1.936 1.00 0.00 O ATOM 1142 CG2 THR A 80 0.775 -13.232 1.454 1.00 0.00 C ATOM 0 H THR A 80 -0.999 -10.157 -0.707 1.00 0.00 H new ATOM 0 HA THR A 80 0.517 -10.445 1.807 1.00 0.00 H new ATOM 0 HB THR A 80 -0.674 -12.612 0.025 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.741 -13.170 2.037 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.354 -14.231 1.561 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.578 -13.254 0.717 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.172 -12.900 2.414 1.00 0.00 H new ATOM 1150 N CYS A 81 2.598 -10.368 0.487 1.00 0.00 N ATOM 1151 CA CYS A 81 3.837 -10.307 -0.268 1.00 0.00 C ATOM 1152 C CYS A 81 4.554 -11.667 -0.180 1.00 0.00 C ATOM 1153 O CYS A 81 4.563 -12.310 0.873 1.00 0.00 O ATOM 1154 CB CYS A 81 4.718 -9.172 0.277 1.00 0.00 C ATOM 1155 SG CYS A 81 3.806 -7.648 0.719 1.00 0.00 S ATOM 0 H CYS A 81 2.656 -9.983 1.430 1.00 0.00 H new ATOM 0 HA CYS A 81 3.628 -10.097 -1.317 1.00 0.00 H new ATOM 0 HB2 CYS A 81 5.248 -9.532 1.159 1.00 0.00 H new ATOM 0 HB3 CYS A 81 5.473 -8.925 -0.469 1.00 0.00 H new ATOM 1160 N LYS A 82 5.133 -12.105 -1.298 1.00 0.00 N ATOM 1161 CA LYS A 82 5.682 -13.460 -1.433 1.00 0.00 C ATOM 1162 C LYS A 82 7.033 -13.644 -0.740 1.00 0.00 C ATOM 1163 O LYS A 82 7.525 -12.752 -0.055 1.00 0.00 O ATOM 1164 CB LYS A 82 5.804 -13.852 -2.910 1.00 0.00 C ATOM 1165 CG LYS A 82 4.483 -14.237 -3.558 1.00 0.00 C ATOM 1166 CD LYS A 82 3.598 -13.029 -3.798 1.00 0.00 C ATOM 1167 CE LYS A 82 2.234 -13.419 -4.337 1.00 0.00 C ATOM 1168 NZ LYS A 82 2.325 -14.138 -5.637 1.00 0.00 N ATOM 0 H LYS A 82 5.236 -11.533 -2.136 1.00 0.00 H new ATOM 0 HA LYS A 82 4.974 -14.118 -0.930 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.239 -13.019 -3.462 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.497 -14.688 -2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.676 -14.740 -4.506 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.960 -14.950 -2.920 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.475 -12.479 -2.865 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.087 -12.356 -4.502 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.725 -14.051 -3.609 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.625 -12.523 -4.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.370 -14.279 -6.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.890 -13.576 -6.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.779 -15.062 -5.492 1.00 0.00 H new ATOM 1182 N GLU A 83 7.602 -14.830 -0.919 1.00 0.00 N ATOM 1183 CA GLU A 83 8.833 -15.259 -0.247 1.00 0.00 C ATOM 1184 C GLU A 83 9.991 -14.239 -0.275 1.00 0.00 C ATOM 1185 O GLU A 83 10.555 -13.944 0.781 1.00 0.00 O ATOM 1186 CB GLU A 83 9.279 -16.575 -0.854 1.00 0.00 C ATOM 1187 CG GLU A 83 8.188 -17.621 -0.799 1.00 0.00 C ATOM 1188 CD GLU A 83 7.839 -18.022 0.618 1.00 0.00 C ATOM 1189 OE1 GLU A 83 8.586 -18.824 1.215 1.00 0.00 O ATOM 1190 OE2 GLU A 83 6.814 -17.536 1.143 1.00 0.00 O ATOM 0 H GLU A 83 7.218 -15.537 -1.546 1.00 0.00 H new ATOM 0 HA GLU A 83 8.586 -15.362 0.810 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.576 -16.414 -1.890 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.159 -16.940 -0.323 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.296 -17.237 -1.294 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.507 -18.503 -1.355 1.00 0.00 H new ATOM 1197 N PRO A 84 10.382 -13.667 -1.442 1.00 0.00 N ATOM 1198 CA PRO A 84 11.518 -12.760 -1.493 1.00 0.00 C ATOM 1199 C PRO A 84 11.114 -11.360 -1.080 1.00 0.00 C ATOM 1200 O PRO A 84 11.866 -10.398 -1.240 1.00 0.00 O ATOM 1201 CB PRO A 84 11.942 -12.779 -2.954 1.00 0.00 C ATOM 1202 CG PRO A 84 10.720 -13.155 -3.723 1.00 0.00 C ATOM 1203 CD PRO A 84 9.752 -13.804 -2.763 1.00 0.00 C ATOM 0 HA PRO A 84 12.317 -13.060 -0.815 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.317 -11.804 -3.266 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.745 -13.497 -3.119 1.00 0.00 H new ATOM 0 HG2 PRO A 84 10.271 -12.274 -4.181 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.973 -13.840 -4.532 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.779 -13.313 -2.790 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.587 -14.851 -3.016 1.00 0.00 H new ATOM 1211 N THR A 85 9.899 -11.265 -0.580 1.00 0.00 N ATOM 1212 CA THR A 85 9.345 -10.027 -0.108 1.00 0.00 C ATOM 1213 C THR A 85 8.725 -10.272 1.273 1.00 0.00 C ATOM 1214 O THR A 85 7.508 -10.251 1.446 1.00 0.00 O ATOM 1215 CB THR A 85 8.294 -9.485 -1.111 1.00 0.00 C ATOM 1216 OG1 THR A 85 7.104 -10.263 -1.068 1.00 0.00 O ATOM 1217 CG2 THR A 85 8.818 -9.535 -2.539 1.00 0.00 C ATOM 0 H THR A 85 9.266 -12.060 -0.492 1.00 0.00 H new ATOM 0 HA THR A 85 10.127 -9.272 -0.024 1.00 0.00 H new ATOM 0 HB THR A 85 8.088 -8.455 -0.821 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.048 -10.728 -0.207 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.059 -9.149 -3.219 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.719 -8.926 -2.617 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.052 -10.566 -2.805 1.00 0.00 H new ATOM 1225 N PRO A 86 9.577 -10.522 2.281 1.00 0.00 N ATOM 1226 CA PRO A 86 9.140 -10.939 3.620 1.00 0.00 C ATOM 1227 C PRO A 86 8.346 -9.851 4.309 1.00 0.00 C ATOM 1228 O PRO A 86 7.611 -10.095 5.263 1.00 0.00 O ATOM 1229 CB PRO A 86 10.455 -11.174 4.374 1.00 0.00 C ATOM 1230 CG PRO A 86 11.506 -11.264 3.331 1.00 0.00 C ATOM 1231 CD PRO A 86 11.037 -10.395 2.211 1.00 0.00 C ATOM 0 HA PRO A 86 8.491 -11.814 3.584 1.00 0.00 H new ATOM 0 HB2 PRO A 86 10.660 -10.358 5.067 1.00 0.00 H new ATOM 0 HB3 PRO A 86 10.410 -12.089 4.964 1.00 0.00 H new ATOM 0 HG2 PRO A 86 12.468 -10.924 3.714 1.00 0.00 H new ATOM 0 HG3 PRO A 86 11.641 -12.293 2.998 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.359 -9.362 2.341 1.00 0.00 H new ATOM 0 HD3 PRO A 86 11.425 -10.731 1.250 1.00 0.00 H new ATOM 1239 N ASN A 87 8.497 -8.653 3.793 1.00 0.00 N ATOM 1240 CA ASN A 87 7.932 -7.475 4.396 1.00 0.00 C ATOM 1241 C ASN A 87 7.047 -6.771 3.395 1.00 0.00 C ATOM 1242 O ASN A 87 6.873 -7.242 2.272 1.00 0.00 O ATOM 1243 CB ASN A 87 9.054 -6.545 4.829 1.00 0.00 C ATOM 1244 CG ASN A 87 10.101 -7.248 5.663 1.00 0.00 C ATOM 1245 OD1 ASN A 87 9.966 -7.384 6.875 1.00 0.00 O ATOM 1246 ND2 ASN A 87 11.161 -7.677 5.004 1.00 0.00 N ATOM 0 H ASN A 87 9.020 -8.471 2.936 1.00 0.00 H new ATOM 0 HA ASN A 87 7.338 -7.758 5.265 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.526 -6.115 3.946 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.635 -5.717 5.401 1.00 0.00 H new ATOM 0 HD21 ASN A 87 11.916 -8.147 5.503 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.225 -7.539 3.995 1.00 0.00 H new ATOM 1253 N ALA A 88 6.519 -5.632 3.783 1.00 0.00 N ATOM 1254 CA ALA A 88 5.672 -4.867 2.902 1.00 0.00 C ATOM 1255 C ALA A 88 5.897 -3.383 3.106 1.00 0.00 C ATOM 1256 O ALA A 88 6.243 -2.942 4.203 1.00 0.00 O ATOM 1257 CB ALA A 88 4.218 -5.226 3.148 1.00 0.00 C ATOM 0 H ALA A 88 6.662 -5.217 4.703 1.00 0.00 H new ATOM 0 HA ALA A 88 5.924 -5.109 1.870 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.582 -4.645 2.480 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.069 -6.289 2.959 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.958 -5.002 4.183 1.00 0.00 H new ATOM 1263 N TYR A 89 5.739 -2.629 2.036 1.00 0.00 N ATOM 1264 CA TYR A 89 5.711 -1.187 2.123 1.00 0.00 C ATOM 1265 C TYR A 89 4.348 -0.818 2.720 1.00 0.00 C ATOM 1266 O TYR A 89 3.320 -0.908 2.043 1.00 0.00 O ATOM 1267 CB TYR A 89 5.880 -0.543 0.730 1.00 0.00 C ATOM 1268 CG TYR A 89 7.025 -1.050 -0.135 1.00 0.00 C ATOM 1269 CD1 TYR A 89 8.136 -1.709 0.376 1.00 0.00 C ATOM 1270 CD2 TYR A 89 6.987 -0.817 -1.499 1.00 0.00 C ATOM 1271 CE1 TYR A 89 9.166 -2.105 -0.460 1.00 0.00 C ATOM 1272 CE2 TYR A 89 7.995 -1.215 -2.336 1.00 0.00 C ATOM 1273 CZ TYR A 89 9.084 -1.855 -1.822 1.00 0.00 C ATOM 1274 OH TYR A 89 10.105 -2.212 -2.674 1.00 0.00 O ATOM 0 H TYR A 89 5.628 -2.997 1.091 1.00 0.00 H new ATOM 0 HA TYR A 89 6.531 -0.820 2.741 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.951 -0.684 0.178 1.00 0.00 H new ATOM 0 HB3 TYR A 89 6.010 0.531 0.867 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.197 -1.914 1.435 1.00 0.00 H new ATOM 0 HD2 TYR A 89 6.134 -0.304 -1.917 1.00 0.00 H new ATOM 0 HE1 TYR A 89 10.031 -2.607 -0.053 1.00 0.00 H new ATOM 0 HE2 TYR A 89 7.928 -1.023 -3.397 1.00 0.00 H new ATOM 0 HH TYR A 89 9.870 -1.958 -3.591 1.00 0.00 H new ATOM 1284 N TYR A 90 4.350 -0.459 3.997 1.00 0.00 N ATOM 1285 CA TYR A 90 3.126 -0.262 4.778 1.00 0.00 C ATOM 1286 C TYR A 90 2.380 -1.586 4.968 1.00 0.00 C ATOM 1287 O TYR A 90 2.976 -2.576 5.386 1.00 0.00 O ATOM 1288 CB TYR A 90 2.204 0.811 4.173 1.00 0.00 C ATOM 1289 CG TYR A 90 1.690 1.776 5.220 1.00 0.00 C ATOM 1290 CD1 TYR A 90 0.832 1.348 6.224 1.00 0.00 C ATOM 1291 CD2 TYR A 90 2.077 3.103 5.218 1.00 0.00 C ATOM 1292 CE1 TYR A 90 0.374 2.218 7.193 1.00 0.00 C ATOM 1293 CE2 TYR A 90 1.629 3.980 6.185 1.00 0.00 C ATOM 1294 CZ TYR A 90 0.775 3.532 7.170 1.00 0.00 C ATOM 1295 OH TYR A 90 0.322 4.400 8.138 1.00 0.00 O ATOM 0 H TYR A 90 5.205 -0.294 4.528 1.00 0.00 H new ATOM 0 HA TYR A 90 3.432 0.106 5.757 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.746 1.364 3.406 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.360 0.328 3.681 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.517 0.315 6.247 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.742 3.460 4.446 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.296 1.868 7.965 1.00 0.00 H new ATOM 0 HE2 TYR A 90 1.946 5.012 6.170 1.00 0.00 H new ATOM 0 HH TYR A 90 0.699 5.291 7.981 1.00 0.00 H new ATOM 1305 N GLU A 91 1.093 -1.613 4.647 1.00 0.00 N ATOM 1306 CA GLU A 91 0.246 -2.762 4.982 1.00 0.00 C ATOM 1307 C GLU A 91 0.316 -3.862 3.922 1.00 0.00 C ATOM 1308 O GLU A 91 -0.344 -4.892 4.045 1.00 0.00 O ATOM 1309 CB GLU A 91 -1.214 -2.328 5.141 1.00 0.00 C ATOM 1310 CG GLU A 91 -1.393 -0.913 5.655 1.00 0.00 C ATOM 1311 CD GLU A 91 -2.797 -0.655 6.151 1.00 0.00 C ATOM 1312 OE1 GLU A 91 -3.713 -0.526 5.313 1.00 0.00 O ATOM 1313 OE2 GLU A 91 -2.994 -0.588 7.379 1.00 0.00 O ATOM 0 H GLU A 91 0.610 -0.859 4.158 1.00 0.00 H new ATOM 0 HA GLU A 91 0.625 -3.162 5.922 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.714 -2.418 4.177 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.713 -3.016 5.824 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.685 -0.731 6.464 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.156 -0.207 4.859 1.00 0.00 H new ATOM 1320 N GLY A 92 1.115 -3.652 2.890 1.00 0.00 N ATOM 1321 CA GLY A 92 1.105 -4.561 1.760 1.00 0.00 C ATOM 1322 C GLY A 92 0.626 -3.854 0.522 1.00 0.00 C ATOM 1323 O GLY A 92 0.422 -4.465 -0.529 1.00 0.00 O ATOM 0 H GLY A 92 1.769 -2.873 2.812 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.107 -4.957 1.595 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.457 -5.411 1.975 1.00 0.00 H new ATOM 1327 N VAL A 93 0.436 -2.546 0.670 1.00 0.00 N ATOM 1328 CA VAL A 93 0.066 -1.674 -0.422 1.00 0.00 C ATOM 1329 C VAL A 93 1.117 -1.760 -1.526 1.00 0.00 C ATOM 1330 O VAL A 93 0.832 -1.602 -2.714 1.00 0.00 O ATOM 1331 CB VAL A 93 -0.055 -0.213 0.083 1.00 0.00 C ATOM 1332 CG1 VAL A 93 -0.625 0.681 -0.991 1.00 0.00 C ATOM 1333 CG2 VAL A 93 -0.890 -0.139 1.357 1.00 0.00 C ATOM 0 H VAL A 93 0.537 -2.064 1.563 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.898 -1.989 -0.821 1.00 0.00 H new ATOM 0 HB VAL A 93 0.947 0.143 0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.700 1.701 -0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.029 0.664 -1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.616 0.324 -1.273 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.958 0.897 1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.891 -0.523 1.159 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.419 -0.739 2.136 1.00 0.00 H new ATOM 1343 N PHE A 94 2.342 -1.999 -1.093 1.00 0.00 N ATOM 1344 CA PHE A 94 3.460 -2.250 -1.970 1.00 0.00 C ATOM 1345 C PHE A 94 4.441 -3.185 -1.246 1.00 0.00 C ATOM 1346 O PHE A 94 4.394 -3.274 -0.028 1.00 0.00 O ATOM 1347 CB PHE A 94 4.159 -0.946 -2.469 1.00 0.00 C ATOM 1348 CG PHE A 94 3.952 0.387 -1.730 1.00 0.00 C ATOM 1349 CD1 PHE A 94 3.055 0.569 -0.684 1.00 0.00 C ATOM 1350 CD2 PHE A 94 4.703 1.486 -2.127 1.00 0.00 C ATOM 1351 CE1 PHE A 94 2.912 1.794 -0.063 1.00 0.00 C ATOM 1352 CE2 PHE A 94 4.563 2.714 -1.509 1.00 0.00 C ATOM 1353 CZ PHE A 94 3.667 2.869 -0.473 1.00 0.00 C ATOM 0 H PHE A 94 2.587 -2.023 -0.103 1.00 0.00 H new ATOM 0 HA PHE A 94 3.088 -2.728 -2.876 1.00 0.00 H new ATOM 0 HB2 PHE A 94 5.231 -1.142 -2.483 1.00 0.00 H new ATOM 0 HB3 PHE A 94 3.849 -0.791 -3.503 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.457 -0.266 -0.350 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.411 1.379 -2.935 1.00 0.00 H new ATOM 0 HE1 PHE A 94 2.206 1.909 0.746 1.00 0.00 H new ATOM 0 HE2 PHE A 94 5.157 3.554 -1.838 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.558 3.827 0.013 1.00 0.00 H new ATOM 1363 N CYS A 95 5.283 -3.924 -1.976 1.00 0.00 N ATOM 1364 CA CYS A 95 6.255 -4.841 -1.339 1.00 0.00 C ATOM 1365 C CYS A 95 7.589 -4.826 -2.103 1.00 0.00 C ATOM 1366 O CYS A 95 7.649 -4.352 -3.237 1.00 0.00 O ATOM 1367 CB CYS A 95 5.719 -6.284 -1.268 1.00 0.00 C ATOM 1368 SG CYS A 95 3.935 -6.432 -0.912 1.00 0.00 S ATOM 0 H CYS A 95 5.318 -3.912 -2.995 1.00 0.00 H new ATOM 0 HA CYS A 95 6.413 -4.486 -0.321 1.00 0.00 H new ATOM 0 HB2 CYS A 95 5.926 -6.779 -2.217 1.00 0.00 H new ATOM 0 HB3 CYS A 95 6.273 -6.823 -0.499 1.00 0.00 H new ATOM 1373 N SER A 96 8.659 -5.341 -1.477 1.00 0.00 N ATOM 1374 CA SER A 96 10.003 -5.303 -2.079 1.00 0.00 C ATOM 1375 C SER A 96 10.559 -6.690 -2.265 1.00 0.00 C ATOM 1376 O SER A 96 10.558 -7.489 -1.333 1.00 0.00 O ATOM 1377 CB SER A 96 10.995 -4.557 -1.193 1.00 0.00 C ATOM 1378 OG SER A 96 12.043 -3.987 -1.957 1.00 0.00 O ATOM 0 H SER A 96 8.622 -5.786 -0.560 1.00 0.00 H new ATOM 0 HA SER A 96 9.884 -4.797 -3.037 1.00 0.00 H new ATOM 0 HB2 SER A 96 10.475 -3.772 -0.643 1.00 0.00 H new ATOM 0 HB3 SER A 96 11.412 -5.242 -0.454 1.00 0.00 H new ATOM 0 HG SER A 96 11.711 -3.195 -2.429 1.00 0.00 H new ATOM 1384 N SER A 97 11.074 -6.951 -3.446 1.00 0.00 N ATOM 1385 CA SER A 97 11.748 -8.198 -3.714 1.00 0.00 C ATOM 1386 C SER A 97 13.244 -8.061 -3.456 1.00 0.00 C ATOM 1387 O SER A 97 13.741 -6.957 -3.216 1.00 0.00 O ATOM 1388 CB SER A 97 11.479 -8.615 -5.159 1.00 0.00 C ATOM 1389 OG SER A 97 11.555 -7.493 -6.022 1.00 0.00 O ATOM 0 H SER A 97 11.037 -6.311 -4.239 1.00 0.00 H new ATOM 0 HA SER A 97 11.365 -8.969 -3.045 1.00 0.00 H new ATOM 0 HB2 SER A 97 12.204 -9.368 -5.467 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.493 -9.073 -5.234 1.00 0.00 H new ATOM 0 HG SER A 97 11.382 -7.777 -6.944 1.00 0.00 H new ATOM 1395 N SER A 98 13.935 -9.196 -3.466 1.00 0.00 N ATOM 1396 CA SER A 98 15.395 -9.242 -3.343 1.00 0.00 C ATOM 1397 C SER A 98 15.827 -8.931 -1.911 1.00 0.00 C ATOM 1398 O SER A 98 16.581 -7.988 -1.655 1.00 0.00 O ATOM 1399 CB SER A 98 16.065 -8.282 -4.345 1.00 0.00 C ATOM 1400 OG SER A 98 17.460 -8.523 -4.453 1.00 0.00 O ATOM 0 H SER A 98 13.501 -10.114 -3.560 1.00 0.00 H new ATOM 0 HA SER A 98 15.723 -10.253 -3.583 1.00 0.00 H new ATOM 0 HB2 SER A 98 15.600 -8.395 -5.324 1.00 0.00 H new ATOM 0 HB3 SER A 98 15.897 -7.252 -4.030 1.00 0.00 H new ATOM 0 HG SER A 98 17.879 -8.417 -3.574 1.00 0.00 H new ATOM 1406 N SER A 99 15.335 -9.728 -0.981 1.00 0.00 N ATOM 1407 CA SER A 99 15.709 -9.601 0.413 1.00 0.00 C ATOM 1408 C SER A 99 16.666 -10.725 0.796 1.00 0.00 C ATOM 1409 O SER A 99 17.878 -10.458 0.924 1.00 0.00 O ATOM 1410 CB SER A 99 14.459 -9.635 1.283 1.00 0.00 C ATOM 1411 OG SER A 99 13.698 -10.796 1.005 1.00 0.00 O ATOM 1412 OXT SER A 99 16.207 -11.882 0.930 1.00 0.00 O ATOM 0 H SER A 99 14.669 -10.477 -1.170 1.00 0.00 H new ATOM 0 HA SER A 99 16.216 -8.649 0.570 1.00 0.00 H new ATOM 0 HB2 SER A 99 14.740 -9.620 2.336 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.857 -8.745 1.101 1.00 0.00 H new ATOM 0 HG SER A 99 14.298 -11.563 0.900 1.00 0.00 H new