USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 667 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 THR OG1 : rot -65:sc= 1.49 USER MOD Set 1.2: A 81 CYS SG : rot -111:sc= -2.05! USER MOD Set 1.3: A 95 CYS SG : rot 149:sc= 0.462 USER MOD Set 2.1: A 48 ASN :FLIP amide:sc= 0.285 X(o=-6.5,f=-6.5) USER MOD Set 2.2: A 73 ASN : amide:sc= -6.74! C(o=-6.5!,f=-6.5!) USER MOD Set 3.1: A 56 ASN : amide:sc= -1.98 K(o=-5.7,f=-9.5!) USER MOD Set 3.2: A 65 CYS SG : rot -108:sc= -3.7! USER MOD Set 4.1: A 32 CYS SG : rot 180:sc= 0.781 USER MOD Set 4.2: A 44 CYS SG : rot -80:sc= -7.37! USER MOD Set 4.3: A 55 ASN : amide:sc= -1.53 K(o=-8.1,f=-9.4!) USER MOD Single : A 5 LYS NZ :NH3+ 151:sc= 1.25 (180deg=0.566) USER MOD Single : A 6 HIS : no HD1:sc= -3.36 K(o=-3.4,f=-3.9!) USER MOD Single : A 8 CYS SG : rot 168:sc= -3.68! USER MOD Single : A 11 THR OG1 : rot 15:sc= 0.869 USER MOD Single : A 16 LYS NZ :NH3+ 157:sc= 1.24 (180deg=1.05) USER MOD Single : A 17 ASN : amide:sc= -1.64! C(o=-1.6!,f=-2.5!) USER MOD Single : A 20 CYS SG : rot 25:sc= 0.197 USER MOD Single : A 27 THR OG1 : rot 87:sc= 1.19 USER MOD Single : A 28 LYS NZ :NH3+ 147:sc= 1.09 (180deg=-0.605!) USER MOD Single : A 36 TYR OH : rot -108:sc= 0.849 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 162:sc= -0.0452 (180deg=-0.3) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 43 THR OG1 : rot -150:sc= -2.87! USER MOD Single : A 47 ASN : amide:sc= -1.17! C(o=-1.2!,f=-7.5!) USER MOD Single : A 49 ASN : amide:sc= 0.0616 X(o=0.062,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 180:sc= -0.532 USER MOD Single : A 59 CYS SG : rot 180:sc= -3.81! USER MOD Single : A 64 SER OG : rot 180:sc= 0.0878 USER MOD Single : A 66 GLN :FLIP amide:sc=-0.00168 F(o=-0.96,f=-0.0017) USER MOD Single : A 67 ASN :FLIP amide:sc= -1.92! C(o=-5.2!,f=-1.9!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 83:sc= 1.27 USER MOD Single : A 74 SER OG : rot -37:sc= -0.206 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 161:sc= 1.28 (180deg=0.861) USER MOD Single : A 79 CYS SG : rot 118:sc= -3.12! USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 166:sc= -0.0222 (180deg=-0.214) USER MOD Single : A 85 THR OG1 : rot 3:sc= 1.29 USER MOD Single : A 87 ASN : amide:sc= -1.92! C(o=-1.9!,f=-4.1!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 125:sc= 1.71 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 26 N ASP A 3 -10.969 -8.930 3.942 1.00 0.00 N ATOM 27 CA ASP A 3 -11.335 -8.986 2.572 1.00 0.00 C ATOM 28 C ASP A 3 -11.237 -7.619 1.920 1.00 0.00 C ATOM 29 O ASP A 3 -12.057 -6.748 2.164 1.00 0.00 O ATOM 30 CB ASP A 3 -12.754 -9.524 2.474 1.00 0.00 C ATOM 31 CG ASP A 3 -13.773 -8.832 3.376 1.00 0.00 C ATOM 32 OD1 ASP A 3 -13.405 -8.322 4.457 1.00 0.00 O ATOM 33 OD2 ASP A 3 -14.967 -8.811 3.009 1.00 0.00 O ATOM 0 HA ASP A 3 -10.648 -9.646 2.042 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.089 -9.437 1.440 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -12.741 -10.587 2.716 1.00 0.00 H new ATOM 38 N PRO A 4 -10.201 -7.441 1.100 1.00 0.00 N ATOM 39 CA PRO A 4 -9.948 -6.260 0.259 1.00 0.00 C ATOM 40 C PRO A 4 -11.158 -5.534 -0.353 1.00 0.00 C ATOM 41 O PRO A 4 -10.977 -4.429 -0.814 1.00 0.00 O ATOM 42 CB PRO A 4 -9.164 -6.912 -0.878 1.00 0.00 C ATOM 43 CG PRO A 4 -8.342 -7.953 -0.228 1.00 0.00 C ATOM 44 CD PRO A 4 -9.049 -8.353 1.029 1.00 0.00 C ATOM 0 HA PRO A 4 -9.485 -5.472 0.853 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -9.833 -7.345 -1.621 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -8.541 -6.183 -1.396 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -8.215 -8.811 -0.888 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -7.345 -7.573 -0.005 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -9.367 -9.395 0.993 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -8.403 -8.247 1.900 1.00 0.00 H new ATOM 52 N LYS A 5 -12.365 -6.118 -0.360 1.00 0.00 N ATOM 53 CA LYS A 5 -13.598 -5.463 -0.919 1.00 0.00 C ATOM 54 C LYS A 5 -13.836 -3.978 -0.482 1.00 0.00 C ATOM 55 O LYS A 5 -14.863 -3.390 -0.806 1.00 0.00 O ATOM 56 CB LYS A 5 -14.817 -6.299 -0.549 1.00 0.00 C ATOM 57 CG LYS A 5 -14.986 -6.452 0.942 1.00 0.00 C ATOM 58 CD LYS A 5 -15.862 -5.354 1.531 1.00 0.00 C ATOM 59 CE LYS A 5 -16.809 -5.882 2.601 1.00 0.00 C ATOM 60 NZ LYS A 5 -16.097 -6.514 3.745 1.00 0.00 N ATOM 0 H LYS A 5 -12.533 -7.052 0.015 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.439 -5.420 -1.996 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.711 -5.835 -0.966 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.728 -7.286 -1.004 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.428 -7.424 1.159 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.008 -6.432 1.422 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -15.228 -4.578 1.960 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -16.441 -4.888 0.734 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.424 -5.062 2.971 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -17.485 -6.611 2.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -16.667 -6.410 4.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.950 -7.524 3.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -15.176 -6.050 3.880 1.00 0.00 H new ATOM 74 N HIS A 6 -12.882 -3.420 0.241 1.00 0.00 N ATOM 75 CA HIS A 6 -12.875 -2.058 0.802 1.00 0.00 C ATOM 76 C HIS A 6 -12.836 -0.965 -0.271 1.00 0.00 C ATOM 77 O HIS A 6 -12.227 0.073 -0.062 1.00 0.00 O ATOM 78 CB HIS A 6 -11.628 -1.890 1.663 1.00 0.00 C ATOM 79 CG HIS A 6 -11.443 -2.882 2.751 1.00 0.00 C ATOM 80 ND1 HIS A 6 -10.562 -2.704 3.790 1.00 0.00 N ATOM 81 CD2 HIS A 6 -11.989 -4.086 2.926 1.00 0.00 C ATOM 82 CE1 HIS A 6 -10.580 -3.771 4.557 1.00 0.00 C ATOM 83 NE2 HIS A 6 -11.449 -4.627 4.060 1.00 0.00 N ATOM 0 H HIS A 6 -12.030 -3.930 0.474 1.00 0.00 H new ATOM 0 HA HIS A 6 -13.798 -1.947 1.371 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -10.755 -1.929 1.012 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -11.650 -0.895 2.107 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -12.725 -4.550 2.287 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -9.983 -3.921 5.445 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -11.680 -5.539 4.454 1.00 0.00 H new ATOM 92 N VAL A 7 -13.426 -1.231 -1.413 1.00 0.00 N ATOM 93 CA VAL A 7 -13.394 -0.306 -2.565 1.00 0.00 C ATOM 94 C VAL A 7 -13.636 1.143 -2.173 1.00 0.00 C ATOM 95 O VAL A 7 -14.263 1.463 -1.158 1.00 0.00 O ATOM 96 CB VAL A 7 -14.409 -0.710 -3.645 1.00 0.00 C ATOM 97 CG1 VAL A 7 -14.269 -2.183 -3.956 1.00 0.00 C ATOM 98 CG2 VAL A 7 -15.827 -0.367 -3.222 1.00 0.00 C ATOM 0 H VAL A 7 -13.947 -2.090 -1.588 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.384 -0.383 -2.966 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.198 -0.143 -4.552 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -14.991 -2.463 -4.723 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -13.260 -2.384 -4.317 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -14.454 -2.765 -3.053 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.523 -0.665 -4.006 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -16.070 -0.897 -2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -15.907 0.707 -3.055 1.00 0.00 H new ATOM 108 N CYS A 8 -13.170 2.006 -3.038 1.00 0.00 N ATOM 109 CA CYS A 8 -12.928 3.382 -2.698 1.00 0.00 C ATOM 110 C CYS A 8 -13.900 4.305 -3.408 1.00 0.00 C ATOM 111 O CYS A 8 -14.445 3.970 -4.459 1.00 0.00 O ATOM 112 CB CYS A 8 -11.498 3.716 -3.090 1.00 0.00 C ATOM 113 SG CYS A 8 -10.279 2.500 -2.551 1.00 0.00 S ATOM 0 H CYS A 8 -12.946 1.771 -4.005 1.00 0.00 H new ATOM 0 HA CYS A 8 -13.075 3.525 -1.627 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -11.444 3.812 -4.174 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -11.236 4.687 -2.670 1.00 0.00 H new ATOM 0 HG CYS A 8 -9.144 2.731 -3.142 1.00 0.00 H new ATOM 119 N VAL A 9 -14.116 5.467 -2.815 1.00 0.00 N ATOM 120 CA VAL A 9 -15.042 6.440 -3.360 1.00 0.00 C ATOM 121 C VAL A 9 -14.322 7.741 -3.698 1.00 0.00 C ATOM 122 O VAL A 9 -14.254 8.148 -4.856 1.00 0.00 O ATOM 123 CB VAL A 9 -16.183 6.735 -2.363 1.00 0.00 C ATOM 124 CG1 VAL A 9 -17.200 7.689 -2.967 1.00 0.00 C ATOM 125 CG2 VAL A 9 -16.851 5.443 -1.917 1.00 0.00 C ATOM 0 H VAL A 9 -13.659 5.759 -1.951 1.00 0.00 H new ATOM 0 HA VAL A 9 -15.465 6.016 -4.270 1.00 0.00 H new ATOM 0 HB VAL A 9 -15.751 7.217 -1.486 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -17.993 7.880 -2.244 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -16.710 8.628 -3.225 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -17.627 7.244 -3.866 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -17.653 5.671 -1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -17.264 4.929 -2.785 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -16.115 4.802 -1.432 1.00 0.00 H new ATOM 135 N ASP A 10 -13.770 8.373 -2.673 1.00 0.00 N ATOM 136 CA ASP A 10 -13.114 9.665 -2.825 1.00 0.00 C ATOM 137 C ASP A 10 -11.633 9.503 -3.154 1.00 0.00 C ATOM 138 O ASP A 10 -11.228 9.724 -4.291 1.00 0.00 O ATOM 139 CB ASP A 10 -13.294 10.483 -1.545 1.00 0.00 C ATOM 140 CG ASP A 10 -12.406 11.709 -1.492 1.00 0.00 C ATOM 141 OD1 ASP A 10 -12.755 12.729 -2.107 1.00 0.00 O ATOM 142 OD2 ASP A 10 -11.362 11.652 -0.809 1.00 0.00 O ATOM 0 H ASP A 10 -13.763 8.010 -1.720 1.00 0.00 H new ATOM 0 HA ASP A 10 -13.577 10.192 -3.659 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -14.336 10.793 -1.463 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -13.081 9.850 -0.684 1.00 0.00 H new ATOM 147 N THR A 11 -10.837 9.111 -2.159 1.00 0.00 N ATOM 148 CA THR A 11 -9.385 8.948 -2.312 1.00 0.00 C ATOM 149 C THR A 11 -8.718 10.185 -2.927 1.00 0.00 C ATOM 150 O THR A 11 -7.703 10.086 -3.617 1.00 0.00 O ATOM 151 CB THR A 11 -9.031 7.677 -3.118 1.00 0.00 C ATOM 152 OG1 THR A 11 -9.660 7.681 -4.406 1.00 0.00 O ATOM 153 CG2 THR A 11 -9.462 6.440 -2.348 1.00 0.00 C ATOM 0 H THR A 11 -11.178 8.896 -1.222 1.00 0.00 H new ATOM 0 HA THR A 11 -8.985 8.831 -1.305 1.00 0.00 H new ATOM 0 HB THR A 11 -7.951 7.665 -3.265 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.984 8.583 -4.609 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.210 5.548 -2.922 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.947 6.412 -1.388 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.539 6.472 -2.182 1.00 0.00 H new ATOM 161 N ARG A 12 -9.296 11.353 -2.663 1.00 0.00 N ATOM 162 CA ARG A 12 -8.722 12.607 -3.086 1.00 0.00 C ATOM 163 C ARG A 12 -7.752 13.104 -2.016 1.00 0.00 C ATOM 164 O ARG A 12 -6.938 13.998 -2.248 1.00 0.00 O ATOM 165 CB ARG A 12 -9.830 13.594 -3.370 1.00 0.00 C ATOM 166 CG ARG A 12 -10.034 14.568 -2.264 1.00 0.00 C ATOM 167 CD ARG A 12 -10.768 15.788 -2.764 1.00 0.00 C ATOM 168 NE ARG A 12 -9.950 16.586 -3.677 1.00 0.00 N ATOM 169 CZ ARG A 12 -10.419 17.568 -4.447 1.00 0.00 C ATOM 170 NH1 ARG A 12 -11.718 17.845 -4.474 1.00 0.00 N ATOM 171 NH2 ARG A 12 -9.584 18.249 -5.218 1.00 0.00 N ATOM 0 H ARG A 12 -10.173 11.447 -2.151 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.154 12.482 -4.008 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.601 14.136 -4.287 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.758 13.050 -3.545 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.600 14.100 -1.459 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.070 14.861 -1.847 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.681 15.478 -3.273 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.069 16.403 -1.916 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.953 16.377 -3.728 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.367 17.304 -3.902 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -12.067 18.598 -5.067 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.590 18.020 -5.220 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.935 19.002 -5.810 1.00 0.00 H new ATOM 185 N ASP A 13 -7.848 12.481 -0.844 1.00 0.00 N ATOM 186 CA ASP A 13 -6.953 12.754 0.284 1.00 0.00 C ATOM 187 C ASP A 13 -5.605 12.082 0.046 1.00 0.00 C ATOM 188 O ASP A 13 -4.618 12.358 0.725 1.00 0.00 O ATOM 189 CB ASP A 13 -7.570 12.190 1.568 1.00 0.00 C ATOM 190 CG ASP A 13 -6.979 12.788 2.832 1.00 0.00 C ATOM 191 OD1 ASP A 13 -5.963 12.262 3.328 1.00 0.00 O ATOM 192 OD2 ASP A 13 -7.550 13.770 3.353 1.00 0.00 O ATOM 0 H ASP A 13 -8.551 11.769 -0.646 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.813 13.831 0.379 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.645 12.372 1.557 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.430 11.109 1.586 1.00 0.00 H new ATOM 197 N ILE A 14 -5.591 11.203 -0.942 1.00 0.00 N ATOM 198 CA ILE A 14 -4.458 10.335 -1.217 1.00 0.00 C ATOM 199 C ILE A 14 -3.331 11.105 -1.930 1.00 0.00 C ATOM 200 O ILE A 14 -3.503 11.591 -3.049 1.00 0.00 O ATOM 201 CB ILE A 14 -4.929 9.112 -2.055 1.00 0.00 C ATOM 202 CG1 ILE A 14 -5.644 8.054 -1.177 1.00 0.00 C ATOM 203 CG2 ILE A 14 -3.758 8.471 -2.790 1.00 0.00 C ATOM 204 CD1 ILE A 14 -6.745 8.577 -0.268 1.00 0.00 C ATOM 0 H ILE A 14 -6.374 11.071 -1.582 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.051 9.974 -0.273 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.646 9.485 -2.787 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.071 7.295 -1.833 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.896 7.557 -0.560 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.114 7.618 -3.368 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.306 9.201 -3.461 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.015 8.134 -2.067 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.173 7.750 0.298 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.329 9.311 0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.523 9.045 -0.871 1.00 0.00 H new ATOM 216 N PRO A 15 -2.179 11.246 -1.243 1.00 0.00 N ATOM 217 CA PRO A 15 -1.000 11.998 -1.724 1.00 0.00 C ATOM 218 C PRO A 15 -0.294 11.391 -2.933 1.00 0.00 C ATOM 219 O PRO A 15 -0.729 10.392 -3.506 1.00 0.00 O ATOM 220 CB PRO A 15 -0.043 11.972 -0.531 1.00 0.00 C ATOM 221 CG PRO A 15 -0.876 11.592 0.634 1.00 0.00 C ATOM 222 CD PRO A 15 -1.954 10.712 0.099 1.00 0.00 C ATOM 0 HA PRO A 15 -1.312 12.987 -2.059 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.762 11.254 -0.689 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.423 12.946 -0.380 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.282 11.070 1.384 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.296 12.474 1.117 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.645 9.667 0.071 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.856 10.762 0.709 1.00 0.00 H new ATOM 230 N LYS A 16 0.823 12.016 -3.298 1.00 0.00 N ATOM 231 CA LYS A 16 1.645 11.560 -4.412 1.00 0.00 C ATOM 232 C LYS A 16 2.423 10.308 -4.022 1.00 0.00 C ATOM 233 O LYS A 16 2.715 10.097 -2.838 1.00 0.00 O ATOM 234 CB LYS A 16 2.629 12.658 -4.840 1.00 0.00 C ATOM 235 CG LYS A 16 4.032 12.445 -4.301 1.00 0.00 C ATOM 236 CD LYS A 16 4.985 13.582 -4.635 1.00 0.00 C ATOM 237 CE LYS A 16 4.670 14.831 -3.832 1.00 0.00 C ATOM 238 NZ LYS A 16 5.796 15.807 -3.836 1.00 0.00 N ATOM 0 H LYS A 16 1.181 12.849 -2.831 1.00 0.00 H new ATOM 0 HA LYS A 16 0.984 11.327 -5.247 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.667 12.699 -5.929 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.258 13.624 -4.497 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.984 12.327 -3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.432 11.515 -4.705 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.010 13.269 -4.435 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.923 13.808 -5.699 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.778 15.307 -4.240 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.439 14.551 -2.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.431 16.759 -3.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.489 15.540 -3.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.255 15.804 -4.769 1.00 0.00 H new ATOM 252 N ASN A 17 2.770 9.503 -5.032 1.00 0.00 N ATOM 253 CA ASN A 17 3.517 8.249 -4.846 1.00 0.00 C ATOM 254 C ASN A 17 2.780 7.309 -3.902 1.00 0.00 C ATOM 255 O ASN A 17 3.323 6.298 -3.435 1.00 0.00 O ATOM 256 CB ASN A 17 4.920 8.543 -4.321 1.00 0.00 C ATOM 257 CG ASN A 17 5.689 9.481 -5.231 1.00 0.00 C ATOM 258 OD1 ASN A 17 5.650 9.357 -6.457 1.00 0.00 O ATOM 259 ND2 ASN A 17 6.354 10.453 -4.633 1.00 0.00 N ATOM 0 H ASN A 17 2.541 9.701 -6.006 1.00 0.00 H new ATOM 0 HA ASN A 17 3.601 7.755 -5.814 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.849 8.983 -3.326 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.470 7.608 -4.218 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.863 11.140 -5.189 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.358 10.517 -3.615 1.00 0.00 H new ATOM 266 N ALA A 18 1.537 7.656 -3.632 1.00 0.00 N ATOM 267 CA ALA A 18 0.698 6.897 -2.747 1.00 0.00 C ATOM 268 C ALA A 18 -0.451 6.298 -3.529 1.00 0.00 C ATOM 269 O ALA A 18 -1.025 6.938 -4.412 1.00 0.00 O ATOM 270 CB ALA A 18 0.174 7.789 -1.621 1.00 0.00 C ATOM 0 H ALA A 18 1.084 8.480 -4.027 1.00 0.00 H new ATOM 0 HA ALA A 18 1.281 6.091 -2.301 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.461 7.202 -0.957 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.014 8.193 -1.056 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.406 8.609 -2.046 1.00 0.00 H new ATOM 276 N GLY A 19 -0.762 5.063 -3.221 1.00 0.00 N ATOM 277 CA GLY A 19 -1.882 4.411 -3.846 1.00 0.00 C ATOM 278 C GLY A 19 -3.154 4.723 -3.089 1.00 0.00 C ATOM 279 O GLY A 19 -3.094 5.118 -1.922 1.00 0.00 O ATOM 0 H GLY A 19 -0.256 4.492 -2.544 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.975 4.742 -4.880 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.719 3.334 -3.870 1.00 0.00 H new ATOM 283 N CYS A 20 -4.296 4.576 -3.725 1.00 0.00 N ATOM 284 CA CYS A 20 -5.540 4.930 -3.082 1.00 0.00 C ATOM 285 C CYS A 20 -6.284 3.693 -2.587 1.00 0.00 C ATOM 286 O CYS A 20 -6.427 2.708 -3.316 1.00 0.00 O ATOM 287 CB CYS A 20 -6.405 5.724 -4.053 1.00 0.00 C ATOM 288 SG CYS A 20 -6.924 4.786 -5.511 1.00 0.00 S ATOM 0 H CYS A 20 -4.388 4.218 -4.676 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.317 5.545 -2.210 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.291 6.079 -3.527 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.853 6.606 -4.378 1.00 0.00 H new ATOM 0 HG CYS A 20 -6.919 3.516 -5.234 1.00 0.00 H new ATOM 294 N PHE A 21 -6.735 3.742 -1.343 1.00 0.00 N ATOM 295 CA PHE A 21 -7.496 2.655 -0.757 1.00 0.00 C ATOM 296 C PHE A 21 -8.581 3.224 0.137 1.00 0.00 C ATOM 297 O PHE A 21 -8.509 4.367 0.544 1.00 0.00 O ATOM 298 CB PHE A 21 -6.565 1.735 0.032 1.00 0.00 C ATOM 299 CG PHE A 21 -7.205 0.498 0.607 1.00 0.00 C ATOM 300 CD1 PHE A 21 -7.854 -0.430 -0.205 1.00 0.00 C ATOM 301 CD2 PHE A 21 -7.127 0.248 1.970 1.00 0.00 C ATOM 302 CE1 PHE A 21 -8.409 -1.577 0.346 1.00 0.00 C ATOM 303 CE2 PHE A 21 -7.680 -0.890 2.513 1.00 0.00 C ATOM 304 CZ PHE A 21 -8.317 -1.800 1.700 1.00 0.00 C ATOM 0 H PHE A 21 -6.584 4.532 -0.716 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.966 2.068 -1.546 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.747 1.429 -0.621 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.124 2.307 0.848 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.926 -0.256 -1.268 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.626 0.956 2.613 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -8.912 -2.293 -0.287 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.614 -1.069 3.576 1.00 0.00 H new ATOM 0 HZ PHE A 21 -8.747 -2.694 2.128 1.00 0.00 H new ATOM 314 N ARG A 22 -9.637 2.480 0.317 1.00 0.00 N ATOM 315 CA ARG A 22 -10.638 2.768 1.305 1.00 0.00 C ATOM 316 C ARG A 22 -10.731 1.574 2.210 1.00 0.00 C ATOM 317 O ARG A 22 -10.389 0.489 1.792 1.00 0.00 O ATOM 318 CB ARG A 22 -11.977 3.022 0.642 1.00 0.00 C ATOM 319 CG ARG A 22 -13.031 3.526 1.591 1.00 0.00 C ATOM 320 CD ARG A 22 -14.067 4.325 0.845 1.00 0.00 C ATOM 321 NE ARG A 22 -15.148 4.766 1.720 1.00 0.00 N ATOM 322 CZ ARG A 22 -16.366 4.220 1.721 1.00 0.00 C ATOM 323 NH1 ARG A 22 -16.640 3.205 0.911 1.00 0.00 N ATOM 324 NH2 ARG A 22 -17.302 4.671 2.547 1.00 0.00 N ATOM 0 H ARG A 22 -9.829 1.641 -0.230 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.370 3.662 1.869 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -11.844 3.748 -0.160 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.326 2.098 0.181 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.505 2.686 2.098 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.571 4.144 2.362 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.594 5.193 0.386 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.478 3.721 0.036 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.963 5.533 2.366 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.920 2.842 0.287 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.571 2.788 0.912 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.092 5.439 3.185 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.231 4.250 2.544 1.00 0.00 H new ATOM 338 N ASP A 23 -11.072 1.763 3.457 1.00 0.00 N ATOM 339 CA ASP A 23 -11.347 0.619 4.304 1.00 0.00 C ATOM 340 C ASP A 23 -12.854 0.459 4.456 1.00 0.00 C ATOM 341 O ASP A 23 -13.607 1.394 4.195 1.00 0.00 O ATOM 342 CB ASP A 23 -10.670 0.785 5.669 1.00 0.00 C ATOM 343 CG ASP A 23 -10.820 -0.435 6.549 1.00 0.00 C ATOM 344 OD1 ASP A 23 -9.955 -1.330 6.486 1.00 0.00 O ATOM 345 OD2 ASP A 23 -11.811 -0.513 7.302 1.00 0.00 O ATOM 0 H ASP A 23 -11.166 2.674 3.907 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.940 -0.281 3.843 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.610 0.993 5.521 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.096 1.649 6.178 1.00 0.00 H new ATOM 350 N ASP A 24 -13.284 -0.729 4.873 1.00 0.00 N ATOM 351 CA ASP A 24 -14.706 -1.037 5.028 1.00 0.00 C ATOM 352 C ASP A 24 -15.325 -0.151 6.103 1.00 0.00 C ATOM 353 O ASP A 24 -16.542 0.036 6.154 1.00 0.00 O ATOM 354 CB ASP A 24 -14.882 -2.515 5.385 1.00 0.00 C ATOM 355 CG ASP A 24 -16.336 -2.937 5.462 1.00 0.00 C ATOM 356 OD1 ASP A 24 -16.962 -3.117 4.397 1.00 0.00 O ATOM 357 OD2 ASP A 24 -16.852 -3.112 6.587 1.00 0.00 O ATOM 0 H ASP A 24 -12.663 -1.502 5.112 1.00 0.00 H new ATOM 0 HA ASP A 24 -15.216 -0.840 4.085 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.371 -3.126 4.641 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.401 -2.711 6.343 1.00 0.00 H new ATOM 362 N ASP A 25 -14.460 0.409 6.942 1.00 0.00 N ATOM 363 CA ASP A 25 -14.863 1.378 7.951 1.00 0.00 C ATOM 364 C ASP A 25 -15.394 2.646 7.292 1.00 0.00 C ATOM 365 O ASP A 25 -16.250 3.341 7.843 1.00 0.00 O ATOM 366 CB ASP A 25 -13.662 1.720 8.838 1.00 0.00 C ATOM 367 CG ASP A 25 -13.874 2.970 9.664 1.00 0.00 C ATOM 368 OD1 ASP A 25 -14.649 2.920 10.641 1.00 0.00 O ATOM 369 OD2 ASP A 25 -13.258 4.012 9.339 1.00 0.00 O ATOM 0 H ASP A 25 -13.461 0.203 6.941 1.00 0.00 H new ATOM 0 HA ASP A 25 -15.657 0.944 8.559 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.459 0.881 9.504 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.780 1.851 8.211 1.00 0.00 H new ATOM 374 N GLY A 26 -14.902 2.924 6.093 1.00 0.00 N ATOM 375 CA GLY A 26 -15.305 4.114 5.373 1.00 0.00 C ATOM 376 C GLY A 26 -14.140 5.036 5.107 1.00 0.00 C ATOM 377 O GLY A 26 -14.138 5.789 4.129 1.00 0.00 O ATOM 0 H GLY A 26 -14.225 2.340 5.603 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.764 3.827 4.427 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -16.064 4.645 5.947 1.00 0.00 H new ATOM 381 N THR A 27 -13.143 4.968 5.973 1.00 0.00 N ATOM 382 CA THR A 27 -11.949 5.780 5.828 1.00 0.00 C ATOM 383 C THR A 27 -11.175 5.394 4.576 1.00 0.00 C ATOM 384 O THR A 27 -10.873 4.225 4.362 1.00 0.00 O ATOM 385 CB THR A 27 -11.038 5.638 7.062 1.00 0.00 C ATOM 386 OG1 THR A 27 -11.758 6.006 8.251 1.00 0.00 O ATOM 387 CG2 THR A 27 -9.790 6.502 6.930 1.00 0.00 C ATOM 0 H THR A 27 -13.138 4.355 6.788 1.00 0.00 H new ATOM 0 HA THR A 27 -12.267 6.819 5.738 1.00 0.00 H new ATOM 0 HB THR A 27 -10.727 4.596 7.131 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.245 5.227 8.593 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.168 6.380 7.816 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.228 6.197 6.047 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.080 7.548 6.832 1.00 0.00 H new ATOM 395 N LYS A 28 -10.870 6.378 3.741 1.00 0.00 N ATOM 396 CA LYS A 28 -10.080 6.121 2.548 1.00 0.00 C ATOM 397 C LYS A 28 -8.627 6.363 2.878 1.00 0.00 C ATOM 398 O LYS A 28 -8.208 7.498 3.097 1.00 0.00 O ATOM 399 CB LYS A 28 -10.486 6.999 1.357 1.00 0.00 C ATOM 400 CG LYS A 28 -11.763 7.776 1.578 1.00 0.00 C ATOM 401 CD LYS A 28 -11.548 9.264 1.343 1.00 0.00 C ATOM 402 CE LYS A 28 -12.699 10.096 1.888 1.00 0.00 C ATOM 403 NZ LYS A 28 -12.448 11.557 1.746 1.00 0.00 N ATOM 0 H LYS A 28 -11.154 7.350 3.866 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.256 5.088 2.249 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.679 7.699 1.142 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.604 6.368 0.476 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.538 7.407 0.906 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.120 7.613 2.595 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.618 9.576 1.818 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.439 9.451 0.275 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.617 9.833 1.362 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.854 9.855 2.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.349 12.050 1.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.009 11.920 2.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.811 11.723 0.941 1.00 0.00 H new ATOM 417 N GLU A 29 -7.876 5.296 2.912 1.00 0.00 N ATOM 418 CA GLU A 29 -6.494 5.355 3.289 1.00 0.00 C ATOM 419 C GLU A 29 -5.614 5.567 2.090 1.00 0.00 C ATOM 420 O GLU A 29 -6.031 5.444 0.937 1.00 0.00 O ATOM 421 CB GLU A 29 -6.048 4.072 3.962 1.00 0.00 C ATOM 422 CG GLU A 29 -6.817 3.727 5.217 1.00 0.00 C ATOM 423 CD GLU A 29 -6.362 2.411 5.824 1.00 0.00 C ATOM 424 OE1 GLU A 29 -6.296 1.403 5.092 1.00 0.00 O ATOM 425 OE2 GLU A 29 -6.029 2.389 7.028 1.00 0.00 O ATOM 0 H GLU A 29 -8.208 4.360 2.678 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.400 6.192 3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.146 3.250 3.253 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.990 4.154 4.210 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.692 4.525 5.949 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.881 3.670 4.985 1.00 0.00 H new ATOM 432 N TRP A 30 -4.387 5.875 2.385 1.00 0.00 N ATOM 433 CA TRP A 30 -3.360 5.935 1.402 1.00 0.00 C ATOM 434 C TRP A 30 -2.125 5.330 1.992 1.00 0.00 C ATOM 435 O TRP A 30 -1.885 5.412 3.199 1.00 0.00 O ATOM 436 CB TRP A 30 -3.075 7.356 0.978 1.00 0.00 C ATOM 437 CG TRP A 30 -2.845 8.268 2.126 1.00 0.00 C ATOM 438 CD1 TRP A 30 -3.796 8.802 2.940 1.00 0.00 C ATOM 439 CD2 TRP A 30 -1.585 8.751 2.599 1.00 0.00 C ATOM 440 NE1 TRP A 30 -3.205 9.634 3.854 1.00 0.00 N ATOM 441 CE2 TRP A 30 -1.861 9.616 3.668 1.00 0.00 C ATOM 442 CE3 TRP A 30 -0.251 8.556 2.213 1.00 0.00 C ATOM 443 CZ2 TRP A 30 -0.870 10.288 4.353 1.00 0.00 C ATOM 444 CZ3 TRP A 30 0.731 9.228 2.905 1.00 0.00 C ATOM 445 CH2 TRP A 30 0.407 10.086 3.962 1.00 0.00 C ATOM 0 H TRP A 30 -4.072 6.094 3.330 1.00 0.00 H new ATOM 0 HA TRP A 30 -3.682 5.390 0.515 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.198 7.367 0.331 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -3.912 7.728 0.387 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -4.855 8.601 2.875 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -3.697 10.180 4.561 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.001 7.897 1.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.107 10.951 5.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.766 9.091 2.628 1.00 0.00 H new ATOM 0 HH2 TRP A 30 1.202 10.602 4.480 1.00 0.00 H new ATOM 456 N ARG A 31 -1.363 4.715 1.152 1.00 0.00 N ATOM 457 CA ARG A 31 -0.157 4.070 1.566 1.00 0.00 C ATOM 458 C ARG A 31 0.894 4.385 0.568 1.00 0.00 C ATOM 459 O ARG A 31 0.606 4.852 -0.532 1.00 0.00 O ATOM 460 CB ARG A 31 -0.342 2.557 1.709 1.00 0.00 C ATOM 461 CG ARG A 31 -1.497 2.221 2.614 1.00 0.00 C ATOM 462 CD ARG A 31 -1.833 0.745 2.635 1.00 0.00 C ATOM 463 NE ARG A 31 -2.964 0.488 3.524 1.00 0.00 N ATOM 464 CZ ARG A 31 -2.840 0.134 4.797 1.00 0.00 C ATOM 465 NH1 ARG A 31 -1.639 -0.142 5.298 1.00 0.00 N ATOM 466 NH2 ARG A 31 -3.921 0.043 5.563 1.00 0.00 N ATOM 0 H ARG A 31 -1.558 4.644 0.153 1.00 0.00 H new ATOM 0 HA ARG A 31 0.133 4.437 2.550 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.509 2.116 0.726 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.572 2.114 2.105 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.262 2.547 3.627 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.375 2.782 2.294 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.072 0.406 1.627 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.966 0.174 2.966 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.905 0.587 3.143 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.812 -0.082 4.704 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.545 -0.414 6.277 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.841 0.245 5.172 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.831 -0.229 6.542 1.00 0.00 H new ATOM 480 N CYS A 32 2.088 4.079 0.922 1.00 0.00 N ATOM 481 CA CYS A 32 3.210 4.483 0.141 1.00 0.00 C ATOM 482 C CYS A 32 3.730 3.251 -0.512 1.00 0.00 C ATOM 483 O CYS A 32 3.929 2.241 0.151 1.00 0.00 O ATOM 484 CB CYS A 32 4.263 5.125 1.039 1.00 0.00 C ATOM 485 SG CYS A 32 3.695 5.437 2.728 1.00 0.00 S ATOM 0 H CYS A 32 2.320 3.543 1.758 1.00 0.00 H new ATOM 0 HA CYS A 32 2.938 5.226 -0.609 1.00 0.00 H new ATOM 0 HB2 CYS A 32 5.139 4.478 1.075 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.581 6.068 0.593 1.00 0.00 H new ATOM 0 HG CYS A 32 4.655 5.980 3.415 1.00 0.00 H new ATOM 491 N LEU A 33 3.839 3.355 -1.832 1.00 0.00 N ATOM 492 CA LEU A 33 4.125 2.238 -2.729 1.00 0.00 C ATOM 493 C LEU A 33 5.191 1.278 -2.209 1.00 0.00 C ATOM 494 O LEU A 33 5.858 1.543 -1.227 1.00 0.00 O ATOM 495 CB LEU A 33 4.504 2.807 -4.084 1.00 0.00 C ATOM 496 CG LEU A 33 3.362 2.826 -5.101 1.00 0.00 C ATOM 497 CD1 LEU A 33 2.023 3.094 -4.419 1.00 0.00 C ATOM 498 CD2 LEU A 33 3.628 3.888 -6.140 1.00 0.00 C ATOM 0 H LEU A 33 3.728 4.242 -2.322 1.00 0.00 H new ATOM 0 HA LEU A 33 3.225 1.628 -2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.871 3.824 -3.948 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.329 2.223 -4.492 1.00 0.00 H new ATOM 0 HG LEU A 33 3.310 1.848 -5.579 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.229 3.102 -5.166 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.824 2.311 -3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.058 4.061 -3.916 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.813 3.901 -6.864 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.698 4.862 -5.655 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.565 3.670 -6.652 1.00 0.00 H new ATOM 510 N LEU A 34 5.347 0.157 -2.880 1.00 0.00 N ATOM 511 CA LEU A 34 6.211 -0.901 -2.380 1.00 0.00 C ATOM 512 C LEU A 34 7.626 -0.406 -2.159 1.00 0.00 C ATOM 513 O LEU A 34 8.287 0.054 -3.084 1.00 0.00 O ATOM 514 CB LEU A 34 6.196 -2.091 -3.328 1.00 0.00 C ATOM 515 CG LEU A 34 4.820 -2.706 -3.531 1.00 0.00 C ATOM 516 CD1 LEU A 34 4.907 -3.905 -4.438 1.00 0.00 C ATOM 517 CD2 LEU A 34 4.206 -3.090 -2.201 1.00 0.00 C ATOM 0 H LEU A 34 4.891 -0.049 -3.769 1.00 0.00 H new ATOM 0 HA LEU A 34 5.822 -1.221 -1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.588 -1.776 -4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.871 -2.856 -2.944 1.00 0.00 H new ATOM 0 HG LEU A 34 4.178 -1.962 -4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.913 -4.333 -4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.305 -3.601 -5.406 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.566 -4.651 -3.993 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.222 -3.528 -2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.847 -3.816 -1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.107 -2.202 -1.576 1.00 0.00 H new ATOM 529 N GLY A 35 8.068 -0.495 -0.915 1.00 0.00 N ATOM 530 CA GLY A 35 9.379 0.006 -0.556 1.00 0.00 C ATOM 531 C GLY A 35 9.424 1.519 -0.491 1.00 0.00 C ATOM 532 O GLY A 35 10.471 2.126 -0.689 1.00 0.00 O ATOM 0 H GLY A 35 7.541 -0.906 -0.145 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.669 -0.405 0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.110 -0.345 -1.284 1.00 0.00 H new ATOM 536 N TYR A 36 8.275 2.129 -0.255 1.00 0.00 N ATOM 537 CA TYR A 36 8.176 3.571 -0.098 1.00 0.00 C ATOM 538 C TYR A 36 7.894 3.955 1.353 1.00 0.00 C ATOM 539 O TYR A 36 7.736 3.093 2.220 1.00 0.00 O ATOM 540 CB TYR A 36 7.068 4.114 -0.999 1.00 0.00 C ATOM 541 CG TYR A 36 7.436 4.176 -2.465 1.00 0.00 C ATOM 542 CD1 TYR A 36 7.999 3.090 -3.117 1.00 0.00 C ATOM 543 CD2 TYR A 36 7.242 5.337 -3.186 1.00 0.00 C ATOM 544 CE1 TYR A 36 8.350 3.158 -4.448 1.00 0.00 C ATOM 545 CE2 TYR A 36 7.596 5.425 -4.510 1.00 0.00 C ATOM 546 CZ TYR A 36 8.150 4.332 -5.143 1.00 0.00 C ATOM 547 OH TYR A 36 8.512 4.414 -6.470 1.00 0.00 O ATOM 0 H TYR A 36 7.385 1.639 -0.167 1.00 0.00 H new ATOM 0 HA TYR A 36 9.132 4.008 -0.385 1.00 0.00 H new ATOM 0 HB2 TYR A 36 6.183 3.489 -0.884 1.00 0.00 H new ATOM 0 HB3 TYR A 36 6.798 5.114 -0.661 1.00 0.00 H new ATOM 0 HD1 TYR A 36 8.166 2.173 -2.571 1.00 0.00 H new ATOM 0 HD2 TYR A 36 6.802 6.195 -2.698 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.778 2.299 -4.943 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.441 6.346 -5.053 1.00 0.00 H new ATOM 0 HH TYR A 36 9.302 4.987 -6.559 1.00 0.00 H new ATOM 557 N LYS A 37 7.829 5.259 1.602 1.00 0.00 N ATOM 558 CA LYS A 37 7.630 5.792 2.940 1.00 0.00 C ATOM 559 C LYS A 37 7.040 7.188 2.869 1.00 0.00 C ATOM 560 O LYS A 37 6.964 7.782 1.799 1.00 0.00 O ATOM 561 CB LYS A 37 8.970 5.872 3.660 1.00 0.00 C ATOM 562 CG LYS A 37 10.013 6.636 2.861 1.00 0.00 C ATOM 563 CD LYS A 37 11.340 6.731 3.589 1.00 0.00 C ATOM 564 CE LYS A 37 12.316 7.617 2.834 1.00 0.00 C ATOM 565 NZ LYS A 37 13.647 7.676 3.494 1.00 0.00 N ATOM 0 H LYS A 37 7.913 5.974 0.880 1.00 0.00 H new ATOM 0 HA LYS A 37 6.948 5.133 3.477 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.831 6.355 4.627 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.334 4.864 3.857 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.163 6.144 1.900 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.643 7.640 2.651 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.181 7.131 4.590 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.765 5.734 3.707 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.433 7.242 1.817 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.905 8.624 2.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.280 8.291 2.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.541 8.058 4.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.052 6.719 3.545 1.00 0.00 H new ATOM 579 N LYS A 38 6.629 7.704 4.011 1.00 0.00 N ATOM 580 CA LYS A 38 6.231 9.096 4.118 1.00 0.00 C ATOM 581 C LYS A 38 7.457 9.984 4.198 1.00 0.00 C ATOM 582 O LYS A 38 8.157 10.017 5.209 1.00 0.00 O ATOM 583 CB LYS A 38 5.349 9.300 5.323 1.00 0.00 C ATOM 584 CG LYS A 38 4.098 8.456 5.269 1.00 0.00 C ATOM 585 CD LYS A 38 2.963 9.167 5.938 1.00 0.00 C ATOM 586 CE LYS A 38 1.861 8.217 6.371 1.00 0.00 C ATOM 587 NZ LYS A 38 2.291 7.327 7.480 1.00 0.00 N ATOM 0 H LYS A 38 6.561 7.178 4.882 1.00 0.00 H new ATOM 0 HA LYS A 38 5.662 9.368 3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.910 9.057 6.226 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.072 10.352 5.393 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.841 8.241 4.232 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.276 7.498 5.759 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.338 9.706 6.808 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.551 9.911 5.256 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.991 8.792 6.686 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.551 7.611 5.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.453 6.921 7.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.882 6.560 7.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.839 7.876 8.173 1.00 0.00 H new ATOM 601 N GLY A 39 7.705 10.700 3.119 1.00 0.00 N ATOM 602 CA GLY A 39 8.893 11.523 3.028 1.00 0.00 C ATOM 603 C GLY A 39 8.567 12.990 3.089 1.00 0.00 C ATOM 604 O GLY A 39 9.210 13.752 3.808 1.00 0.00 O ATOM 0 H GLY A 39 7.102 10.728 2.297 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.574 11.269 3.841 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.414 11.306 2.096 1.00 0.00 H new ATOM 608 N GLU A 40 7.553 13.378 2.336 1.00 0.00 N ATOM 609 CA GLU A 40 7.107 14.758 2.304 1.00 0.00 C ATOM 610 C GLU A 40 6.336 15.079 3.583 1.00 0.00 C ATOM 611 O GLU A 40 6.063 16.240 3.883 1.00 0.00 O ATOM 612 CB GLU A 40 6.205 14.986 1.090 1.00 0.00 C ATOM 613 CG GLU A 40 6.568 14.151 -0.136 1.00 0.00 C ATOM 614 CD GLU A 40 7.817 14.643 -0.839 1.00 0.00 C ATOM 615 OE1 GLU A 40 8.927 14.430 -0.313 1.00 0.00 O ATOM 616 OE2 GLU A 40 7.688 15.243 -1.929 1.00 0.00 O ATOM 0 H GLU A 40 7.020 12.750 1.734 1.00 0.00 H new ATOM 0 HA GLU A 40 7.976 15.412 2.232 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.175 14.765 1.372 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.242 16.041 0.819 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.713 13.114 0.167 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.734 14.164 -0.838 1.00 0.00 H new ATOM 623 N GLY A 41 5.998 14.031 4.332 1.00 0.00 N ATOM 624 CA GLY A 41 5.197 14.182 5.528 1.00 0.00 C ATOM 625 C GLY A 41 3.931 13.364 5.436 1.00 0.00 C ATOM 626 O GLY A 41 3.886 12.213 5.861 1.00 0.00 O ATOM 0 H GLY A 41 6.271 13.070 4.125 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.774 13.870 6.399 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.946 15.233 5.672 1.00 0.00 H new ATOM 630 N ASN A 42 2.920 13.954 4.837 1.00 0.00 N ATOM 631 CA ASN A 42 1.669 13.271 4.550 1.00 0.00 C ATOM 632 C ASN A 42 1.673 12.932 3.084 1.00 0.00 C ATOM 633 O ASN A 42 0.826 13.385 2.322 1.00 0.00 O ATOM 634 CB ASN A 42 0.457 14.148 4.861 1.00 0.00 C ATOM 635 CG ASN A 42 0.308 14.454 6.338 1.00 0.00 C ATOM 636 OD1 ASN A 42 0.759 13.694 7.192 1.00 0.00 O ATOM 637 ND2 ASN A 42 -0.354 15.556 6.650 1.00 0.00 N ATOM 0 H ASN A 42 2.939 14.927 4.532 1.00 0.00 H new ATOM 0 HA ASN A 42 1.593 12.380 5.174 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.542 15.084 4.309 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.445 13.650 4.506 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.505 15.800 7.629 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.713 16.162 5.912 1.00 0.00 H new ATOM 644 N THR A 43 2.671 12.169 2.690 1.00 0.00 N ATOM 645 CA THR A 43 2.957 11.938 1.290 1.00 0.00 C ATOM 646 C THR A 43 3.935 10.787 1.192 1.00 0.00 C ATOM 647 O THR A 43 4.513 10.390 2.201 1.00 0.00 O ATOM 648 CB THR A 43 3.585 13.172 0.628 1.00 0.00 C ATOM 649 OG1 THR A 43 3.217 14.377 1.315 1.00 0.00 O ATOM 650 CG2 THR A 43 3.147 13.287 -0.811 1.00 0.00 C ATOM 0 H THR A 43 3.306 11.692 3.330 1.00 0.00 H new ATOM 0 HA THR A 43 2.022 11.716 0.776 1.00 0.00 H new ATOM 0 HB THR A 43 4.666 13.045 0.678 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.196 15.123 0.679 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.604 14.168 -1.261 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.459 12.397 -1.358 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.062 13.378 -0.855 1.00 0.00 H new ATOM 658 N CYS A 44 4.151 10.269 0.003 1.00 0.00 N ATOM 659 CA CYS A 44 4.964 9.087 -0.144 1.00 0.00 C ATOM 660 C CYS A 44 6.143 9.341 -1.061 1.00 0.00 C ATOM 661 O CYS A 44 6.063 10.151 -1.981 1.00 0.00 O ATOM 662 CB CYS A 44 4.092 7.958 -0.658 1.00 0.00 C ATOM 663 SG CYS A 44 2.622 7.707 0.360 1.00 0.00 S ATOM 0 H CYS A 44 3.778 10.645 -0.868 1.00 0.00 H new ATOM 0 HA CYS A 44 5.379 8.808 0.825 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.789 8.174 -1.682 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.674 7.037 -0.685 1.00 0.00 H new ATOM 0 HG CYS A 44 2.941 7.029 1.423 1.00 0.00 H new ATOM 669 N VAL A 45 7.239 8.665 -0.763 1.00 0.00 N ATOM 670 CA VAL A 45 8.473 8.763 -1.512 1.00 0.00 C ATOM 671 C VAL A 45 9.203 7.438 -1.424 1.00 0.00 C ATOM 672 O VAL A 45 8.858 6.594 -0.600 1.00 0.00 O ATOM 673 CB VAL A 45 9.406 9.861 -0.960 1.00 0.00 C ATOM 674 CG1 VAL A 45 8.785 11.244 -1.103 1.00 0.00 C ATOM 675 CG2 VAL A 45 9.768 9.579 0.491 1.00 0.00 C ATOM 0 H VAL A 45 7.294 8.019 0.025 1.00 0.00 H new ATOM 0 HA VAL A 45 8.216 9.017 -2.540 1.00 0.00 H new ATOM 0 HB VAL A 45 10.321 9.848 -1.553 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.469 11.993 -0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.595 11.450 -2.156 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.846 11.280 -0.551 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.426 10.365 0.861 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.860 9.552 1.094 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.277 8.618 0.559 1.00 0.00 H new ATOM 685 N GLU A 46 10.206 7.269 -2.255 1.00 0.00 N ATOM 686 CA GLU A 46 10.986 6.045 -2.286 1.00 0.00 C ATOM 687 C GLU A 46 11.763 5.836 -0.988 1.00 0.00 C ATOM 688 O GLU A 46 12.498 6.717 -0.538 1.00 0.00 O ATOM 689 CB GLU A 46 11.949 6.104 -3.464 1.00 0.00 C ATOM 690 CG GLU A 46 11.660 5.075 -4.534 1.00 0.00 C ATOM 691 CD GLU A 46 11.825 5.629 -5.932 1.00 0.00 C ATOM 692 OE1 GLU A 46 12.950 5.584 -6.473 1.00 0.00 O ATOM 693 OE2 GLU A 46 10.821 6.116 -6.500 1.00 0.00 O ATOM 0 H GLU A 46 10.507 7.973 -2.929 1.00 0.00 H new ATOM 0 HA GLU A 46 10.303 5.203 -2.396 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.907 7.099 -3.907 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.966 5.961 -3.099 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.327 4.223 -4.403 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.642 4.705 -4.412 1.00 0.00 H new ATOM 700 N ASN A 47 11.576 4.671 -0.385 1.00 0.00 N ATOM 701 CA ASN A 47 12.342 4.275 0.787 1.00 0.00 C ATOM 702 C ASN A 47 13.476 3.369 0.353 1.00 0.00 C ATOM 703 O ASN A 47 13.263 2.267 -0.150 1.00 0.00 O ATOM 704 CB ASN A 47 11.445 3.558 1.802 1.00 0.00 C ATOM 705 CG ASN A 47 12.099 3.360 3.147 1.00 0.00 C ATOM 706 OD1 ASN A 47 13.319 3.440 3.287 1.00 0.00 O ATOM 707 ND2 ASN A 47 11.287 3.050 4.138 1.00 0.00 N ATOM 0 H ASN A 47 10.894 3.978 -0.692 1.00 0.00 H new ATOM 0 HA ASN A 47 12.749 5.164 1.268 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.528 4.132 1.934 1.00 0.00 H new ATOM 0 HB3 ASN A 47 11.158 2.586 1.399 1.00 0.00 H new ATOM 0 HD21 ASN A 47 11.664 2.865 5.067 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.282 2.995 3.975 1.00 0.00 H new ATOM 714 N ASN A 48 14.686 3.847 0.531 1.00 0.00 N ATOM 715 CA ASN A 48 15.861 3.160 0.068 1.00 0.00 C ATOM 716 C ASN A 48 16.252 2.026 1.011 1.00 0.00 C ATOM 717 O ASN A 48 17.200 1.289 0.756 1.00 0.00 O ATOM 718 CB ASN A 48 16.978 4.177 -0.054 1.00 0.00 C ATOM 719 CG ASN A 48 16.565 5.390 -0.868 1.00 0.00 C ATOM 720 OD1 ASN A 48 16.630 5.289 -2.191 1.00 0.00 O flip ATOM 721 ND2 ASN A 48 16.152 6.404 -0.307 1.00 0.00 N flip ATOM 0 H ASN A 48 14.880 4.729 1.005 1.00 0.00 H new ATOM 0 HA ASN A 48 15.663 2.703 -0.901 1.00 0.00 H new ATOM 0 HB2 ASN A 48 17.285 4.497 0.942 1.00 0.00 H new ATOM 0 HB3 ASN A 48 17.845 3.708 -0.519 1.00 0.00 H new ATOM 0 HD21 ASN A 48 16.117 6.445 0.712 1.00 0.00 H new ATOM 0 HD22 ASN A 48 15.845 7.204 -0.860 1.00 0.00 H new ATOM 728 N ASN A 49 15.482 1.866 2.074 1.00 0.00 N ATOM 729 CA ASN A 49 15.747 0.852 3.080 1.00 0.00 C ATOM 730 C ASN A 49 14.433 0.490 3.752 1.00 0.00 C ATOM 731 O ASN A 49 14.215 0.780 4.926 1.00 0.00 O ATOM 732 CB ASN A 49 16.754 1.371 4.109 1.00 0.00 C ATOM 733 CG ASN A 49 17.363 0.261 4.949 1.00 0.00 C ATOM 734 OD1 ASN A 49 18.379 -0.322 4.575 1.00 0.00 O ATOM 735 ND2 ASN A 49 16.755 -0.035 6.089 1.00 0.00 N ATOM 0 H ASN A 49 14.657 2.435 2.264 1.00 0.00 H new ATOM 0 HA ASN A 49 16.178 -0.033 2.612 1.00 0.00 H new ATOM 0 HB2 ASN A 49 17.550 1.908 3.593 1.00 0.00 H new ATOM 0 HB3 ASN A 49 16.260 2.087 4.765 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.128 -0.769 6.690 1.00 0.00 H new ATOM 0 HD22 ASN A 49 15.914 0.472 6.365 1.00 0.00 H new ATOM 742 N PRO A 50 13.530 -0.137 2.993 1.00 0.00 N ATOM 743 CA PRO A 50 12.181 -0.391 3.440 1.00 0.00 C ATOM 744 C PRO A 50 12.087 -1.610 4.344 1.00 0.00 C ATOM 745 O PRO A 50 12.697 -2.648 4.084 1.00 0.00 O ATOM 746 CB PRO A 50 11.401 -0.604 2.139 1.00 0.00 C ATOM 747 CG PRO A 50 12.410 -0.781 1.044 1.00 0.00 C ATOM 748 CD PRO A 50 13.769 -0.682 1.658 1.00 0.00 C ATOM 0 HA PRO A 50 11.792 0.428 4.045 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.757 -1.480 2.215 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.755 0.249 1.933 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.280 -1.747 0.557 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.280 -0.017 0.277 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.253 -1.657 1.709 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.421 -0.032 1.075 1.00 0.00 H new ATOM 756 N THR A 51 11.332 -1.465 5.414 1.00 0.00 N ATOM 757 CA THR A 51 11.110 -2.539 6.351 1.00 0.00 C ATOM 758 C THR A 51 9.625 -2.832 6.405 1.00 0.00 C ATOM 759 O THR A 51 8.807 -1.947 6.152 1.00 0.00 O ATOM 760 CB THR A 51 11.634 -2.192 7.763 1.00 0.00 C ATOM 761 OG1 THR A 51 11.591 -3.356 8.602 1.00 0.00 O ATOM 762 CG2 THR A 51 10.811 -1.078 8.392 1.00 0.00 C ATOM 0 H THR A 51 10.856 -0.596 5.656 1.00 0.00 H new ATOM 0 HA THR A 51 11.661 -3.416 6.012 1.00 0.00 H new ATOM 0 HB THR A 51 12.664 -1.849 7.667 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.926 -3.129 9.494 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.201 -0.854 9.385 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.870 -0.186 7.769 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.771 -1.395 8.474 1.00 0.00 H new ATOM 770 N CYS A 52 9.270 -4.064 6.706 1.00 0.00 N ATOM 771 CA CYS A 52 7.886 -4.426 6.811 1.00 0.00 C ATOM 772 C CYS A 52 7.370 -4.028 8.192 1.00 0.00 C ATOM 773 O CYS A 52 8.141 -3.500 9.001 1.00 0.00 O ATOM 774 CB CYS A 52 7.750 -5.920 6.567 1.00 0.00 C ATOM 775 SG CYS A 52 8.677 -6.949 7.721 1.00 0.00 S ATOM 0 H CYS A 52 9.926 -4.826 6.881 1.00 0.00 H new ATOM 0 HA CYS A 52 7.288 -3.903 6.065 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.696 -6.191 6.623 1.00 0.00 H new ATOM 0 HB3 CYS A 52 8.082 -6.142 5.553 1.00 0.00 H new ATOM 0 HG CYS A 52 8.493 -8.202 7.429 1.00 0.00 H new ATOM 781 N ASP A 53 6.070 -4.237 8.433 1.00 0.00 N ATOM 782 CA ASP A 53 5.385 -3.755 9.646 1.00 0.00 C ATOM 783 C ASP A 53 5.107 -2.268 9.533 1.00 0.00 C ATOM 784 O ASP A 53 3.987 -1.807 9.735 1.00 0.00 O ATOM 785 CB ASP A 53 6.188 -4.028 10.922 1.00 0.00 C ATOM 786 CG ASP A 53 5.963 -5.417 11.470 1.00 0.00 C ATOM 787 OD1 ASP A 53 4.920 -5.644 12.113 1.00 0.00 O ATOM 788 OD2 ASP A 53 6.835 -6.288 11.275 1.00 0.00 O ATOM 0 H ASP A 53 5.460 -4.746 7.793 1.00 0.00 H new ATOM 0 HA ASP A 53 4.448 -4.307 9.721 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.249 -3.892 10.714 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.916 -3.295 11.681 1.00 0.00 H new ATOM 793 N ILE A 54 6.134 -1.532 9.163 1.00 0.00 N ATOM 794 CA ILE A 54 6.036 -0.091 9.013 1.00 0.00 C ATOM 795 C ILE A 54 5.625 0.214 7.605 1.00 0.00 C ATOM 796 O ILE A 54 6.397 -0.004 6.667 1.00 0.00 O ATOM 797 CB ILE A 54 7.370 0.594 9.347 1.00 0.00 C ATOM 798 CG1 ILE A 54 7.775 0.222 10.776 1.00 0.00 C ATOM 799 CG2 ILE A 54 7.251 2.105 9.173 1.00 0.00 C ATOM 800 CD1 ILE A 54 9.148 0.707 11.182 1.00 0.00 C ATOM 0 H ILE A 54 7.058 -1.912 8.958 1.00 0.00 H new ATOM 0 HA ILE A 54 5.292 0.295 9.710 1.00 0.00 H new ATOM 0 HB ILE A 54 8.146 0.251 8.662 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.039 0.632 11.468 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.741 -0.863 10.880 1.00 0.00 H new ATOM 0 HG21 ILE A 54 8.205 2.575 9.414 1.00 0.00 H new ATOM 0 HG22 ILE A 54 6.984 2.333 8.141 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.479 2.488 9.840 1.00 0.00 H new ATOM 0 HD11 ILE A 54 9.354 0.400 12.207 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.897 0.277 10.517 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.185 1.794 11.114 1.00 0.00 H new ATOM 812 N ASN A 55 4.372 0.650 7.458 1.00 0.00 N ATOM 813 CA ASN A 55 3.778 0.829 6.145 1.00 0.00 C ATOM 814 C ASN A 55 3.648 -0.536 5.484 1.00 0.00 C ATOM 815 O ASN A 55 3.402 -0.650 4.289 1.00 0.00 O ATOM 816 CB ASN A 55 4.662 1.769 5.330 1.00 0.00 C ATOM 817 CG ASN A 55 4.029 2.233 4.033 1.00 0.00 C ATOM 818 OD1 ASN A 55 2.814 2.388 3.928 1.00 0.00 O ATOM 819 ND2 ASN A 55 4.862 2.461 3.034 1.00 0.00 N ATOM 0 H ASN A 55 3.755 0.884 8.236 1.00 0.00 H new ATOM 0 HA ASN A 55 2.785 1.273 6.215 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.906 2.641 5.937 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.602 1.265 5.105 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.503 2.778 2.133 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.864 2.320 3.163 1.00 0.00 H new ATOM 826 N ASN A 56 3.825 -1.575 6.307 1.00 0.00 N ATOM 827 CA ASN A 56 3.864 -2.964 5.857 1.00 0.00 C ATOM 828 C ASN A 56 4.926 -3.144 4.771 1.00 0.00 C ATOM 829 O ASN A 56 4.860 -4.067 3.971 1.00 0.00 O ATOM 830 CB ASN A 56 2.495 -3.409 5.335 1.00 0.00 C ATOM 831 CG ASN A 56 2.261 -4.900 5.503 1.00 0.00 C ATOM 832 OD1 ASN A 56 2.486 -5.455 6.578 1.00 0.00 O ATOM 833 ND2 ASN A 56 1.847 -5.568 4.435 1.00 0.00 N ATOM 0 H ASN A 56 3.946 -1.470 7.314 1.00 0.00 H new ATOM 0 HA ASN A 56 4.125 -3.588 6.712 1.00 0.00 H new ATOM 0 HB2 ASN A 56 1.714 -2.861 5.862 1.00 0.00 H new ATOM 0 HB3 ASN A 56 2.411 -3.149 4.280 1.00 0.00 H new ATOM 0 HD21 ASN A 56 1.705 -6.577 4.488 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.671 -5.073 3.561 1.00 0.00 H new ATOM 840 N GLY A 57 5.911 -2.256 4.755 1.00 0.00 N ATOM 841 CA GLY A 57 6.935 -2.300 3.731 1.00 0.00 C ATOM 842 C GLY A 57 6.472 -1.677 2.434 1.00 0.00 C ATOM 843 O GLY A 57 7.018 -1.950 1.368 1.00 0.00 O ATOM 0 H GLY A 57 6.019 -1.504 5.435 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.824 -1.778 4.086 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.223 -3.336 3.552 1.00 0.00 H new ATOM 847 N GLY A 58 5.469 -0.830 2.528 1.00 0.00 N ATOM 848 CA GLY A 58 4.858 -0.279 1.345 1.00 0.00 C ATOM 849 C GLY A 58 3.767 -1.190 0.853 1.00 0.00 C ATOM 850 O GLY A 58 3.281 -1.054 -0.257 1.00 0.00 O ATOM 0 H GLY A 58 5.064 -0.511 3.408 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.448 0.707 1.564 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.609 -0.146 0.567 1.00 0.00 H new ATOM 854 N CYS A 59 3.382 -2.114 1.714 1.00 0.00 N ATOM 855 CA CYS A 59 2.419 -3.152 1.379 1.00 0.00 C ATOM 856 C CYS A 59 1.112 -2.959 2.153 1.00 0.00 C ATOM 857 O CYS A 59 0.981 -2.049 2.974 1.00 0.00 O ATOM 858 CB CYS A 59 3.013 -4.524 1.692 1.00 0.00 C ATOM 859 SG CYS A 59 4.423 -4.979 0.656 1.00 0.00 S ATOM 0 H CYS A 59 3.729 -2.167 2.671 1.00 0.00 H new ATOM 0 HA CYS A 59 2.196 -3.085 0.314 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.324 -4.543 2.737 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.235 -5.278 1.578 1.00 0.00 H new ATOM 0 HG CYS A 59 4.854 -6.156 1.002 1.00 0.00 H new ATOM 865 N ASP A 60 0.157 -3.829 1.873 1.00 0.00 N ATOM 866 CA ASP A 60 -1.160 -3.790 2.510 1.00 0.00 C ATOM 867 C ASP A 60 -1.227 -4.807 3.635 1.00 0.00 C ATOM 868 O ASP A 60 -0.632 -5.868 3.510 1.00 0.00 O ATOM 869 CB ASP A 60 -2.239 -4.136 1.478 1.00 0.00 C ATOM 870 CG ASP A 60 -3.624 -4.290 2.080 1.00 0.00 C ATOM 871 OD1 ASP A 60 -3.936 -5.391 2.587 1.00 0.00 O ATOM 872 OD2 ASP A 60 -4.407 -3.319 2.045 1.00 0.00 O ATOM 0 H ASP A 60 0.267 -4.585 1.198 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.325 -2.789 2.909 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.267 -3.356 0.717 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.965 -5.063 0.974 1.00 0.00 H new ATOM 877 N PRO A 61 -1.920 -4.506 4.749 1.00 0.00 N ATOM 878 CA PRO A 61 -1.971 -5.392 5.908 1.00 0.00 C ATOM 879 C PRO A 61 -2.233 -6.853 5.535 1.00 0.00 C ATOM 880 O PRO A 61 -1.580 -7.759 6.061 1.00 0.00 O ATOM 881 CB PRO A 61 -3.141 -4.837 6.712 1.00 0.00 C ATOM 882 CG PRO A 61 -3.193 -3.400 6.382 1.00 0.00 C ATOM 883 CD PRO A 61 -2.689 -3.270 4.978 1.00 0.00 C ATOM 0 HA PRO A 61 -1.022 -5.409 6.444 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.073 -5.336 6.446 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.992 -4.990 7.781 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.211 -3.019 6.466 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.578 -2.821 7.071 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.511 -3.176 4.268 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.063 -2.385 4.861 1.00 0.00 H new ATOM 891 N THR A 62 -3.160 -7.077 4.607 1.00 0.00 N ATOM 892 CA THR A 62 -3.502 -8.430 4.192 1.00 0.00 C ATOM 893 C THR A 62 -2.465 -8.980 3.212 1.00 0.00 C ATOM 894 O THR A 62 -2.297 -10.195 3.098 1.00 0.00 O ATOM 895 CB THR A 62 -4.917 -8.512 3.572 1.00 0.00 C ATOM 896 OG1 THR A 62 -5.020 -7.685 2.406 1.00 0.00 O ATOM 897 CG2 THR A 62 -5.968 -8.091 4.586 1.00 0.00 C ATOM 0 H THR A 62 -3.684 -6.342 4.132 1.00 0.00 H new ATOM 0 HA THR A 62 -3.500 -9.045 5.092 1.00 0.00 H new ATOM 0 HB THR A 62 -5.090 -9.548 3.281 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.924 -6.744 2.663 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.957 -8.155 4.133 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.923 -8.751 5.452 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.779 -7.065 4.901 1.00 0.00 H new ATOM 905 N ALA A 63 -1.762 -8.079 2.525 1.00 0.00 N ATOM 906 CA ALA A 63 -0.681 -8.459 1.640 1.00 0.00 C ATOM 907 C ALA A 63 0.550 -8.829 2.458 1.00 0.00 C ATOM 908 O ALA A 63 1.289 -7.955 2.906 1.00 0.00 O ATOM 909 CB ALA A 63 -0.366 -7.321 0.677 1.00 0.00 C ATOM 0 H ALA A 63 -1.931 -7.074 2.571 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.985 -9.327 1.055 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.448 -7.618 0.016 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.250 -7.092 0.082 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.070 -6.437 1.242 1.00 0.00 H new ATOM 915 N SER A 64 0.747 -10.127 2.660 1.00 0.00 N ATOM 916 CA SER A 64 1.829 -10.645 3.477 1.00 0.00 C ATOM 917 C SER A 64 3.191 -10.093 3.029 1.00 0.00 C ATOM 918 O SER A 64 3.782 -10.560 2.055 1.00 0.00 O ATOM 919 CB SER A 64 1.792 -12.166 3.371 1.00 0.00 C ATOM 920 OG SER A 64 0.452 -12.625 3.283 1.00 0.00 O ATOM 0 H SER A 64 0.154 -10.852 2.257 1.00 0.00 H new ATOM 0 HA SER A 64 1.698 -10.330 4.512 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.352 -12.489 2.493 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.278 -12.609 4.240 1.00 0.00 H new ATOM 0 HG SER A 64 0.445 -13.603 3.214 1.00 0.00 H new ATOM 926 N CYS A 65 3.656 -9.079 3.751 1.00 0.00 N ATOM 927 CA CYS A 65 4.915 -8.406 3.459 1.00 0.00 C ATOM 928 C CYS A 65 6.133 -9.201 3.923 1.00 0.00 C ATOM 929 O CYS A 65 6.095 -9.904 4.935 1.00 0.00 O ATOM 930 CB CYS A 65 4.941 -7.038 4.134 1.00 0.00 C ATOM 931 SG CYS A 65 4.785 -7.111 5.934 1.00 0.00 S ATOM 0 H CYS A 65 3.166 -8.699 4.561 1.00 0.00 H new ATOM 0 HA CYS A 65 4.971 -8.308 2.375 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.874 -6.535 3.879 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.131 -6.429 3.733 1.00 0.00 H new ATOM 0 HG CYS A 65 3.607 -6.687 6.285 1.00 0.00 H new ATOM 937 N GLN A 66 7.209 -9.077 3.158 1.00 0.00 N ATOM 938 CA GLN A 66 8.502 -9.623 3.527 1.00 0.00 C ATOM 939 C GLN A 66 9.569 -8.537 3.428 1.00 0.00 C ATOM 940 O GLN A 66 9.654 -7.834 2.420 1.00 0.00 O ATOM 941 CB GLN A 66 8.862 -10.783 2.605 1.00 0.00 C ATOM 942 CG GLN A 66 7.720 -11.766 2.413 1.00 0.00 C ATOM 943 CD GLN A 66 8.095 -12.978 1.580 1.00 0.00 C ATOM 944 OE1 GLN A 66 9.348 -13.398 1.650 1.00 0.00 O flip ATOM 945 NE2 GLN A 66 7.250 -13.548 0.890 1.00 0.00 N flip ATOM 0 H GLN A 66 7.206 -8.592 2.261 1.00 0.00 H new ATOM 0 HA GLN A 66 8.453 -9.987 4.553 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.161 -10.388 1.634 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.723 -11.311 3.014 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.372 -12.101 3.390 1.00 0.00 H new ATOM 0 HG3 GLN A 66 6.885 -11.252 1.936 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.293 -13.195 0.861 1.00 0.00 H new ATOM 0 HE22 GLN A 66 7.506 -14.373 0.348 1.00 0.00 H new ATOM 954 N ASN A 67 10.363 -8.391 4.477 1.00 0.00 N ATOM 955 CA ASN A 67 11.440 -7.415 4.500 1.00 0.00 C ATOM 956 C ASN A 67 12.675 -7.949 3.781 1.00 0.00 C ATOM 957 O ASN A 67 13.153 -9.047 4.072 1.00 0.00 O ATOM 958 CB ASN A 67 11.780 -7.038 5.945 1.00 0.00 C ATOM 959 CG ASN A 67 13.083 -6.286 6.057 1.00 0.00 C ATOM 960 OD1 ASN A 67 13.025 -4.999 5.815 1.00 0.00 O flip ATOM 961 ND2 ASN A 67 14.133 -6.863 6.334 1.00 0.00 N flip ATOM 0 H ASN A 67 10.280 -8.942 5.331 1.00 0.00 H new ATOM 0 HA ASN A 67 11.105 -6.521 3.974 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.976 -6.428 6.356 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.834 -7.943 6.550 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.131 -7.867 6.515 1.00 0.00 H new ATOM 0 HD22 ASN A 67 15.006 -6.338 6.383 1.00 0.00 H new ATOM 968 N ALA A 68 13.181 -7.165 2.841 1.00 0.00 N ATOM 969 CA ALA A 68 14.322 -7.558 2.033 1.00 0.00 C ATOM 970 C ALA A 68 15.010 -6.330 1.470 1.00 0.00 C ATOM 971 O ALA A 68 14.461 -5.231 1.509 1.00 0.00 O ATOM 972 CB ALA A 68 13.875 -8.461 0.898 1.00 0.00 C ATOM 0 H ALA A 68 12.812 -6.241 2.618 1.00 0.00 H new ATOM 0 HA ALA A 68 15.024 -8.103 2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 68 14.740 -8.749 0.300 1.00 0.00 H new ATOM 0 HB2 ALA A 68 13.404 -9.354 1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 68 13.160 -7.929 0.270 1.00 0.00 H new ATOM 978 N GLU A 69 16.223 -6.516 0.977 1.00 0.00 N ATOM 979 CA GLU A 69 16.944 -5.450 0.314 1.00 0.00 C ATOM 980 C GLU A 69 16.978 -5.694 -1.193 1.00 0.00 C ATOM 981 O GLU A 69 16.738 -6.813 -1.652 1.00 0.00 O ATOM 982 CB GLU A 69 18.356 -5.335 0.902 1.00 0.00 C ATOM 983 CG GLU A 69 19.229 -6.574 0.728 1.00 0.00 C ATOM 984 CD GLU A 69 19.908 -6.648 -0.626 1.00 0.00 C ATOM 985 OE1 GLU A 69 20.788 -5.805 -0.903 1.00 0.00 O ATOM 986 OE2 GLU A 69 19.579 -7.558 -1.416 1.00 0.00 O ATOM 0 H GLU A 69 16.728 -7.401 1.025 1.00 0.00 H new ATOM 0 HA GLU A 69 16.431 -4.503 0.482 1.00 0.00 H new ATOM 0 HB2 GLU A 69 18.859 -4.487 0.438 1.00 0.00 H new ATOM 0 HB3 GLU A 69 18.273 -5.113 1.966 1.00 0.00 H new ATOM 0 HG2 GLU A 69 19.990 -6.586 1.509 1.00 0.00 H new ATOM 0 HG3 GLU A 69 18.615 -7.464 0.867 1.00 0.00 H new ATOM 993 N SER A 70 17.243 -4.640 -1.951 1.00 0.00 N ATOM 994 CA SER A 70 17.342 -4.728 -3.403 1.00 0.00 C ATOM 995 C SER A 70 17.873 -3.417 -3.958 1.00 0.00 C ATOM 996 O SER A 70 17.978 -2.432 -3.222 1.00 0.00 O ATOM 997 CB SER A 70 15.976 -5.012 -4.026 1.00 0.00 C ATOM 998 OG SER A 70 16.107 -5.595 -5.312 1.00 0.00 O ATOM 0 H SER A 70 17.395 -3.702 -1.580 1.00 0.00 H new ATOM 0 HA SER A 70 18.020 -5.545 -3.650 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.410 -5.681 -3.377 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.408 -4.085 -4.101 1.00 0.00 H new ATOM 0 HG SER A 70 15.217 -5.767 -5.685 1.00 0.00 H new ATOM 1004 N THR A 71 18.193 -3.395 -5.243 1.00 0.00 N ATOM 1005 CA THR A 71 18.585 -2.156 -5.890 1.00 0.00 C ATOM 1006 C THR A 71 17.373 -1.245 -5.986 1.00 0.00 C ATOM 1007 O THR A 71 17.447 -0.039 -5.730 1.00 0.00 O ATOM 1008 CB THR A 71 19.167 -2.399 -7.299 1.00 0.00 C ATOM 1009 OG1 THR A 71 18.163 -2.946 -8.168 1.00 0.00 O ATOM 1010 CG2 THR A 71 20.356 -3.346 -7.234 1.00 0.00 C ATOM 0 H THR A 71 18.189 -4.213 -5.852 1.00 0.00 H new ATOM 0 HA THR A 71 19.367 -1.691 -5.290 1.00 0.00 H new ATOM 0 HB THR A 71 19.501 -1.440 -7.696 1.00 0.00 H new ATOM 0 HG1 THR A 71 17.608 -2.221 -8.524 1.00 0.00 H new ATOM 0 HG21 THR A 71 20.751 -3.504 -8.238 1.00 0.00 H new ATOM 0 HG22 THR A 71 21.132 -2.913 -6.603 1.00 0.00 H new ATOM 0 HG23 THR A 71 20.038 -4.301 -6.815 1.00 0.00 H new ATOM 1018 N GLU A 72 16.241 -1.854 -6.306 1.00 0.00 N ATOM 1019 CA GLU A 72 15.000 -1.127 -6.462 1.00 0.00 C ATOM 1020 C GLU A 72 14.251 -1.104 -5.151 1.00 0.00 C ATOM 1021 O GLU A 72 14.028 -2.147 -4.546 1.00 0.00 O ATOM 1022 CB GLU A 72 14.119 -1.784 -7.503 1.00 0.00 C ATOM 1023 CG GLU A 72 14.839 -2.095 -8.787 1.00 0.00 C ATOM 1024 CD GLU A 72 15.565 -0.903 -9.371 1.00 0.00 C ATOM 1025 OE1 GLU A 72 14.899 0.000 -9.918 1.00 0.00 O ATOM 1026 OE2 GLU A 72 16.810 -0.880 -9.294 1.00 0.00 O ATOM 0 H GLU A 72 16.161 -2.859 -6.463 1.00 0.00 H new ATOM 0 HA GLU A 72 15.242 -0.113 -6.779 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.710 -2.707 -7.092 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.274 -1.130 -7.718 1.00 0.00 H new ATOM 0 HG2 GLU A 72 15.556 -2.896 -8.608 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.120 -2.467 -9.517 1.00 0.00 H new ATOM 1033 N ASN A 73 13.848 0.083 -4.739 1.00 0.00 N ATOM 1034 CA ASN A 73 13.083 0.281 -3.516 1.00 0.00 C ATOM 1035 C ASN A 73 11.814 -0.552 -3.553 1.00 0.00 C ATOM 1036 O ASN A 73 11.370 -1.070 -2.533 1.00 0.00 O ATOM 1037 CB ASN A 73 12.707 1.758 -3.392 1.00 0.00 C ATOM 1038 CG ASN A 73 13.867 2.683 -3.696 1.00 0.00 C ATOM 1039 OD1 ASN A 73 14.166 2.963 -4.856 1.00 0.00 O ATOM 1040 ND2 ASN A 73 14.506 3.184 -2.663 1.00 0.00 N ATOM 0 H ASN A 73 14.043 0.946 -5.246 1.00 0.00 H new ATOM 0 HA ASN A 73 13.689 -0.025 -2.663 1.00 0.00 H new ATOM 0 HB2 ASN A 73 11.884 1.978 -4.072 1.00 0.00 H new ATOM 0 HB3 ASN A 73 12.346 1.954 -2.382 1.00 0.00 H new ATOM 0 HD21 ASN A 73 15.281 3.831 -2.808 1.00 0.00 H new ATOM 0 HD22 ASN A 73 14.227 2.926 -1.716 1.00 0.00 H new ATOM 1047 N SER A 74 11.263 -0.704 -4.747 1.00 0.00 N ATOM 1048 CA SER A 74 9.979 -1.360 -4.915 1.00 0.00 C ATOM 1049 C SER A 74 10.131 -2.873 -5.068 1.00 0.00 C ATOM 1050 O SER A 74 9.153 -3.615 -4.988 1.00 0.00 O ATOM 1051 CB SER A 74 9.250 -0.767 -6.128 1.00 0.00 C ATOM 1052 OG SER A 74 7.918 -1.244 -6.220 1.00 0.00 O ATOM 0 H SER A 74 11.688 -0.380 -5.616 1.00 0.00 H new ATOM 0 HA SER A 74 9.389 -1.184 -4.016 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.243 0.320 -6.054 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.792 -1.021 -7.039 1.00 0.00 H new ATOM 0 HG SER A 74 7.888 -2.186 -5.950 1.00 0.00 H new ATOM 1058 N LYS A 75 11.358 -3.333 -5.270 1.00 0.00 N ATOM 1059 CA LYS A 75 11.599 -4.754 -5.475 1.00 0.00 C ATOM 1060 C LYS A 75 12.052 -5.425 -4.192 1.00 0.00 C ATOM 1061 O LYS A 75 12.203 -6.645 -4.147 1.00 0.00 O ATOM 1062 CB LYS A 75 12.645 -4.987 -6.562 1.00 0.00 C ATOM 1063 CG LYS A 75 12.213 -4.517 -7.939 1.00 0.00 C ATOM 1064 CD LYS A 75 12.968 -5.256 -9.021 1.00 0.00 C ATOM 1065 CE LYS A 75 12.484 -4.866 -10.407 1.00 0.00 C ATOM 1066 NZ LYS A 75 13.172 -5.640 -11.472 1.00 0.00 N ATOM 0 H LYS A 75 12.194 -2.750 -5.296 1.00 0.00 H new ATOM 0 HA LYS A 75 10.654 -5.194 -5.792 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.565 -4.472 -6.285 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.877 -6.051 -6.608 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.142 -4.677 -8.063 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.389 -3.445 -8.034 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.033 -5.042 -8.933 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.846 -6.330 -8.881 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.409 -5.031 -10.476 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.654 -3.801 -10.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.814 -5.344 -12.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.196 -5.463 -11.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.989 -6.655 -11.337 1.00 0.00 H new ATOM 1080 N LYS A 76 12.267 -4.636 -3.147 1.00 0.00 N ATOM 1081 CA LYS A 76 12.796 -5.170 -1.904 1.00 0.00 C ATOM 1082 C LYS A 76 11.711 -5.861 -1.116 1.00 0.00 C ATOM 1083 O LYS A 76 11.817 -7.037 -0.798 1.00 0.00 O ATOM 1084 CB LYS A 76 13.389 -4.068 -1.045 1.00 0.00 C ATOM 1085 CG LYS A 76 14.086 -2.999 -1.837 1.00 0.00 C ATOM 1086 CD LYS A 76 15.053 -2.232 -0.982 1.00 0.00 C ATOM 1087 CE LYS A 76 15.417 -0.910 -1.631 1.00 0.00 C ATOM 1088 NZ LYS A 76 16.801 -0.472 -1.303 1.00 0.00 N ATOM 0 H LYS A 76 12.084 -3.633 -3.137 1.00 0.00 H new ATOM 0 HA LYS A 76 13.576 -5.885 -2.166 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.595 -3.612 -0.454 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.097 -4.508 -0.342 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.617 -3.451 -2.675 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.348 -2.316 -2.259 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.614 -2.052 -0.001 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.954 -2.824 -0.824 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.315 -1.001 -2.712 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.712 -0.145 -1.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 17.115 0.236 -1.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.816 -0.054 -0.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.440 -1.292 -1.331 1.00 0.00 H new ATOM 1102 N ILE A 77 10.666 -5.120 -0.799 1.00 0.00 N ATOM 1103 CA ILE A 77 9.601 -5.659 0.009 1.00 0.00 C ATOM 1104 C ILE A 77 8.692 -6.529 -0.840 1.00 0.00 C ATOM 1105 O ILE A 77 8.359 -6.188 -1.978 1.00 0.00 O ATOM 1106 CB ILE A 77 8.764 -4.554 0.682 1.00 0.00 C ATOM 1107 CG1 ILE A 77 9.670 -3.599 1.461 1.00 0.00 C ATOM 1108 CG2 ILE A 77 7.722 -5.147 1.615 1.00 0.00 C ATOM 1109 CD1 ILE A 77 10.466 -4.288 2.548 1.00 0.00 C ATOM 0 H ILE A 77 10.537 -4.151 -1.089 1.00 0.00 H new ATOM 0 HA ILE A 77 10.065 -6.255 0.795 1.00 0.00 H new ATOM 0 HB ILE A 77 8.249 -4.001 -0.104 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.357 -3.114 0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.061 -2.813 1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.147 -4.344 2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.052 -5.794 1.048 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.218 -5.729 2.392 1.00 0.00 H new ATOM 0 HD11 ILE A 77 11.088 -3.556 3.063 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.784 -4.750 3.261 1.00 0.00 H new ATOM 0 HD13 ILE A 77 11.100 -5.055 2.104 1.00 0.00 H new ATOM 1121 N ILE A 78 8.298 -7.647 -0.281 1.00 0.00 N ATOM 1122 CA ILE A 78 7.440 -8.588 -0.981 1.00 0.00 C ATOM 1123 C ILE A 78 6.040 -8.550 -0.402 1.00 0.00 C ATOM 1124 O ILE A 78 5.841 -8.828 0.771 1.00 0.00 O ATOM 1125 CB ILE A 78 7.965 -10.042 -0.930 1.00 0.00 C ATOM 1126 CG1 ILE A 78 9.259 -10.186 -1.730 1.00 0.00 C ATOM 1127 CG2 ILE A 78 6.915 -11.011 -1.457 1.00 0.00 C ATOM 1128 CD1 ILE A 78 10.493 -9.774 -0.967 1.00 0.00 C ATOM 0 H ILE A 78 8.557 -7.934 0.663 1.00 0.00 H new ATOM 0 HA ILE A 78 7.433 -8.277 -2.026 1.00 0.00 H new ATOM 0 HB ILE A 78 8.175 -10.284 0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.367 -11.224 -2.045 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.185 -9.584 -2.636 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.304 -12.028 -1.413 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.015 -10.940 -0.846 1.00 0.00 H new ATOM 0 HG23 ILE A 78 6.674 -10.760 -2.490 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.372 -9.904 -1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.408 -8.727 -0.675 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.593 -10.393 -0.075 1.00 0.00 H new ATOM 1140 N CYS A 79 5.085 -8.180 -1.225 1.00 0.00 N ATOM 1141 CA CYS A 79 3.686 -8.219 -0.841 1.00 0.00 C ATOM 1142 C CYS A 79 3.085 -9.561 -1.232 1.00 0.00 C ATOM 1143 O CYS A 79 3.551 -10.208 -2.173 1.00 0.00 O ATOM 1144 CB CYS A 79 2.924 -7.106 -1.545 1.00 0.00 C ATOM 1145 SG CYS A 79 3.380 -6.956 -3.287 1.00 0.00 S ATOM 0 H CYS A 79 5.251 -7.845 -2.174 1.00 0.00 H new ATOM 0 HA CYS A 79 3.611 -8.083 0.238 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.854 -7.296 -1.467 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.117 -6.160 -1.039 1.00 0.00 H new ATOM 0 HG CYS A 79 2.337 -7.182 -4.030 1.00 0.00 H new ATOM 1151 N THR A 80 2.079 -9.996 -0.503 1.00 0.00 N ATOM 1152 CA THR A 80 1.386 -11.216 -0.841 1.00 0.00 C ATOM 1153 C THR A 80 -0.123 -11.065 -0.705 1.00 0.00 C ATOM 1154 O THR A 80 -0.665 -11.075 0.399 1.00 0.00 O ATOM 1155 CB THR A 80 1.871 -12.379 0.029 1.00 0.00 C ATOM 1156 OG1 THR A 80 3.199 -12.757 -0.359 1.00 0.00 O ATOM 1157 CG2 THR A 80 0.923 -13.554 -0.089 1.00 0.00 C ATOM 0 H THR A 80 1.725 -9.521 0.327 1.00 0.00 H new ATOM 0 HA THR A 80 1.613 -11.433 -1.885 1.00 0.00 H new ATOM 0 HB THR A 80 1.890 -12.061 1.071 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.505 -13.500 0.202 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.280 -14.374 0.535 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.072 -13.254 0.241 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.877 -13.882 -1.128 1.00 0.00 H new ATOM 1165 N CYS A 81 -0.794 -10.918 -1.825 1.00 0.00 N ATOM 1166 CA CYS A 81 -2.234 -10.920 -1.835 1.00 0.00 C ATOM 1167 C CYS A 81 -2.721 -12.276 -2.324 1.00 0.00 C ATOM 1168 O CYS A 81 -2.213 -12.821 -3.306 1.00 0.00 O ATOM 1169 CB CYS A 81 -2.763 -9.779 -2.691 1.00 0.00 C ATOM 1170 SG CYS A 81 -2.051 -8.175 -2.250 1.00 0.00 S ATOM 0 H CYS A 81 -0.362 -10.796 -2.741 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.616 -10.759 -0.827 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -2.550 -9.989 -3.739 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -3.847 -9.729 -2.590 1.00 0.00 H new ATOM 0 HG CYS A 81 -2.965 -7.430 -1.703 1.00 0.00 H new ATOM 1176 N LYS A 82 -3.699 -12.810 -1.628 1.00 0.00 N ATOM 1177 CA LYS A 82 -4.064 -14.204 -1.746 1.00 0.00 C ATOM 1178 C LYS A 82 -5.487 -14.347 -2.278 1.00 0.00 C ATOM 1179 O LYS A 82 -6.108 -13.361 -2.671 1.00 0.00 O ATOM 1180 CB LYS A 82 -3.924 -14.849 -0.370 1.00 0.00 C ATOM 1181 CG LYS A 82 -2.545 -14.640 0.243 1.00 0.00 C ATOM 1182 CD LYS A 82 -2.514 -14.987 1.722 1.00 0.00 C ATOM 1183 CE LYS A 82 -2.772 -16.466 1.957 1.00 0.00 C ATOM 1184 NZ LYS A 82 -1.728 -17.323 1.334 1.00 0.00 N ATOM 0 H LYS A 82 -4.266 -12.287 -0.961 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.406 -14.705 -2.456 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.680 -14.436 0.298 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.121 -15.918 -0.453 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.817 -15.254 -0.287 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.244 -13.601 0.109 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.544 -14.716 2.139 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.264 -14.398 2.250 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.808 -16.661 3.029 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.748 -16.732 1.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.803 -18.290 1.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.863 -17.340 0.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.787 -16.939 1.553 1.00 0.00 H new ATOM 1198 N GLU A 83 -6.000 -15.563 -2.327 1.00 0.00 N ATOM 1199 CA GLU A 83 -7.388 -15.772 -2.731 1.00 0.00 C ATOM 1200 C GLU A 83 -8.361 -15.092 -1.756 1.00 0.00 C ATOM 1201 O GLU A 83 -9.302 -14.433 -2.196 1.00 0.00 O ATOM 1202 CB GLU A 83 -7.709 -17.265 -2.870 1.00 0.00 C ATOM 1203 CG GLU A 83 -9.141 -17.548 -3.314 1.00 0.00 C ATOM 1204 CD GLU A 83 -9.520 -16.825 -4.594 1.00 0.00 C ATOM 1205 OE1 GLU A 83 -9.053 -17.232 -5.676 1.00 0.00 O ATOM 1206 OE2 GLU A 83 -10.299 -15.851 -4.525 1.00 0.00 O ATOM 0 H GLU A 83 -5.488 -16.414 -2.096 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.516 -15.309 -3.710 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.021 -17.710 -3.589 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.531 -17.756 -1.913 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.265 -18.621 -3.459 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.827 -17.253 -2.520 1.00 0.00 H new ATOM 1213 N PRO A 84 -8.153 -15.210 -0.422 1.00 0.00 N ATOM 1214 CA PRO A 84 -8.974 -14.499 0.567 1.00 0.00 C ATOM 1215 C PRO A 84 -8.919 -12.975 0.416 1.00 0.00 C ATOM 1216 O PRO A 84 -9.567 -12.247 1.169 1.00 0.00 O ATOM 1217 CB PRO A 84 -8.369 -14.904 1.917 1.00 0.00 C ATOM 1218 CG PRO A 84 -7.035 -15.477 1.603 1.00 0.00 C ATOM 1219 CD PRO A 84 -7.153 -16.070 0.236 1.00 0.00 C ATOM 0 HA PRO A 84 -10.026 -14.761 0.452 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -8.279 -14.043 2.580 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -8.999 -15.634 2.425 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -6.264 -14.707 1.629 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -6.754 -16.235 2.334 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -6.200 -16.055 -0.292 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.480 -17.109 0.275 1.00 0.00 H new ATOM 1227 N THR A 85 -8.147 -12.488 -0.547 1.00 0.00 N ATOM 1228 CA THR A 85 -8.040 -11.059 -0.760 1.00 0.00 C ATOM 1229 C THR A 85 -8.531 -10.675 -2.157 1.00 0.00 C ATOM 1230 O THR A 85 -7.847 -10.907 -3.154 1.00 0.00 O ATOM 1231 CB THR A 85 -6.596 -10.541 -0.537 1.00 0.00 C ATOM 1232 OG1 THR A 85 -5.694 -11.143 -1.454 1.00 0.00 O ATOM 1233 CG2 THR A 85 -6.133 -10.824 0.883 1.00 0.00 C ATOM 0 H THR A 85 -7.592 -13.059 -1.185 1.00 0.00 H new ATOM 0 HA THR A 85 -8.680 -10.581 -0.018 1.00 0.00 H new ATOM 0 HB THR A 85 -6.605 -9.464 -0.702 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.190 -11.725 -2.067 1.00 0.00 H new ATOM 0 HG21 THR A 85 -5.117 -10.452 1.016 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.797 -10.325 1.589 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.152 -11.899 1.065 1.00 0.00 H new ATOM 1241 N PRO A 86 -9.765 -10.127 -2.225 1.00 0.00 N ATOM 1242 CA PRO A 86 -10.390 -9.614 -3.453 1.00 0.00 C ATOM 1243 C PRO A 86 -9.442 -8.946 -4.479 1.00 0.00 C ATOM 1244 O PRO A 86 -9.623 -9.145 -5.680 1.00 0.00 O ATOM 1245 CB PRO A 86 -11.409 -8.627 -2.868 1.00 0.00 C ATOM 1246 CG PRO A 86 -11.921 -9.349 -1.683 1.00 0.00 C ATOM 1247 CD PRO A 86 -10.711 -10.010 -1.082 1.00 0.00 C ATOM 0 HA PRO A 86 -10.803 -10.416 -4.065 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.944 -7.680 -2.595 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.204 -8.399 -3.577 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -12.390 -8.665 -0.976 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -12.675 -10.084 -1.963 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -10.289 -9.413 -0.273 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -10.955 -10.986 -0.663 1.00 0.00 H new ATOM 1255 N ASN A 87 -8.437 -8.174 -4.044 1.00 0.00 N ATOM 1256 CA ASN A 87 -7.554 -7.492 -5.007 1.00 0.00 C ATOM 1257 C ASN A 87 -6.193 -7.148 -4.408 1.00 0.00 C ATOM 1258 O ASN A 87 -5.940 -7.414 -3.244 1.00 0.00 O ATOM 1259 CB ASN A 87 -8.226 -6.220 -5.558 1.00 0.00 C ATOM 1260 CG ASN A 87 -7.450 -5.531 -6.668 1.00 0.00 C ATOM 1261 OD1 ASN A 87 -6.829 -6.181 -7.512 1.00 0.00 O ATOM 1262 ND2 ASN A 87 -7.461 -4.207 -6.655 1.00 0.00 N ATOM 0 H ASN A 87 -8.217 -8.007 -3.062 1.00 0.00 H new ATOM 0 HA ASN A 87 -7.383 -8.192 -5.825 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.217 -6.480 -5.931 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.368 -5.515 -4.739 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.942 -3.686 -7.362 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.988 -3.708 -5.938 1.00 0.00 H new ATOM 1269 N ALA A 88 -5.319 -6.595 -5.249 1.00 0.00 N ATOM 1270 CA ALA A 88 -4.037 -6.044 -4.836 1.00 0.00 C ATOM 1271 C ALA A 88 -3.761 -4.761 -5.603 1.00 0.00 C ATOM 1272 O ALA A 88 -3.487 -4.793 -6.801 1.00 0.00 O ATOM 1273 CB ALA A 88 -2.916 -7.035 -5.086 1.00 0.00 C ATOM 0 H ALA A 88 -5.489 -6.518 -6.252 1.00 0.00 H new ATOM 0 HA ALA A 88 -4.081 -5.833 -3.767 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.968 -6.600 -4.769 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.104 -7.947 -4.520 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.869 -7.271 -6.149 1.00 0.00 H new ATOM 1279 N TYR A 89 -3.847 -3.636 -4.917 1.00 0.00 N ATOM 1280 CA TYR A 89 -3.557 -2.355 -5.526 1.00 0.00 C ATOM 1281 C TYR A 89 -2.083 -2.066 -5.441 1.00 0.00 C ATOM 1282 O TYR A 89 -1.461 -2.302 -4.402 1.00 0.00 O ATOM 1283 CB TYR A 89 -4.307 -1.224 -4.844 1.00 0.00 C ATOM 1284 CG TYR A 89 -5.527 -0.773 -5.581 1.00 0.00 C ATOM 1285 CD1 TYR A 89 -5.458 0.249 -6.522 1.00 0.00 C ATOM 1286 CD2 TYR A 89 -6.746 -1.341 -5.316 1.00 0.00 C ATOM 1287 CE1 TYR A 89 -6.589 0.679 -7.184 1.00 0.00 C ATOM 1288 CE2 TYR A 89 -7.873 -0.917 -5.966 1.00 0.00 C ATOM 1289 CZ TYR A 89 -7.798 0.091 -6.901 1.00 0.00 C ATOM 1290 OH TYR A 89 -8.934 0.510 -7.552 1.00 0.00 O ATOM 0 H TYR A 89 -4.116 -3.586 -3.935 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.878 -2.413 -6.566 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -4.597 -1.545 -3.844 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.633 -0.376 -4.723 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.506 0.712 -6.737 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.818 -2.133 -4.585 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -6.525 1.470 -7.917 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.826 -1.375 -5.745 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.703 -0.010 -7.236 1.00 0.00 H new ATOM 1300 N TYR A 90 -1.535 -1.561 -6.533 1.00 0.00 N ATOM 1301 CA TYR A 90 -0.142 -1.172 -6.572 1.00 0.00 C ATOM 1302 C TYR A 90 0.735 -2.340 -6.152 1.00 0.00 C ATOM 1303 O TYR A 90 1.622 -2.209 -5.315 1.00 0.00 O ATOM 1304 CB TYR A 90 0.077 0.081 -5.709 1.00 0.00 C ATOM 1305 CG TYR A 90 -0.575 1.306 -6.317 1.00 0.00 C ATOM 1306 CD1 TYR A 90 -1.909 1.609 -6.067 1.00 0.00 C ATOM 1307 CD2 TYR A 90 0.136 2.146 -7.167 1.00 0.00 C ATOM 1308 CE1 TYR A 90 -2.514 2.708 -6.647 1.00 0.00 C ATOM 1309 CE2 TYR A 90 -0.461 3.250 -7.743 1.00 0.00 C ATOM 1310 CZ TYR A 90 -1.784 3.526 -7.481 1.00 0.00 C ATOM 1311 OH TYR A 90 -2.382 4.619 -8.066 1.00 0.00 O ATOM 0 H TYR A 90 -2.039 -1.412 -7.407 1.00 0.00 H new ATOM 0 HA TYR A 90 0.145 -0.910 -7.591 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.329 -0.089 -4.712 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.146 0.259 -5.592 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.483 0.974 -5.408 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.173 1.931 -7.380 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.553 2.924 -6.447 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.108 3.895 -8.397 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.728 5.090 -8.624 1.00 0.00 H new ATOM 1321 N GLU A 91 0.423 -3.500 -6.740 1.00 0.00 N ATOM 1322 CA GLU A 91 1.218 -4.720 -6.621 1.00 0.00 C ATOM 1323 C GLU A 91 1.048 -5.430 -5.285 1.00 0.00 C ATOM 1324 O GLU A 91 1.264 -6.637 -5.193 1.00 0.00 O ATOM 1325 CB GLU A 91 2.692 -4.409 -6.834 1.00 0.00 C ATOM 1326 CG GLU A 91 2.968 -3.535 -8.039 1.00 0.00 C ATOM 1327 CD GLU A 91 3.120 -4.336 -9.315 1.00 0.00 C ATOM 1328 OE1 GLU A 91 4.231 -4.850 -9.571 1.00 0.00 O ATOM 1329 OE2 GLU A 91 2.131 -4.461 -10.068 1.00 0.00 O ATOM 0 H GLU A 91 -0.406 -3.616 -7.323 1.00 0.00 H new ATOM 0 HA GLU A 91 0.849 -5.395 -7.394 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.081 -3.916 -5.943 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.238 -5.346 -6.944 1.00 0.00 H new ATOM 0 HG2 GLU A 91 2.155 -2.819 -8.158 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.877 -2.959 -7.865 1.00 0.00 H new ATOM 1336 N GLY A 92 0.634 -4.706 -4.273 1.00 0.00 N ATOM 1337 CA GLY A 92 0.748 -5.219 -2.923 1.00 0.00 C ATOM 1338 C GLY A 92 0.584 -4.161 -1.869 1.00 0.00 C ATOM 1339 O GLY A 92 0.660 -4.462 -0.684 1.00 0.00 O ATOM 0 H GLY A 92 0.222 -3.776 -4.352 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.004 -5.993 -2.771 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.722 -5.693 -2.803 1.00 0.00 H new ATOM 1343 N VAL A 93 0.359 -2.924 -2.291 1.00 0.00 N ATOM 1344 CA VAL A 93 0.284 -1.816 -1.357 1.00 0.00 C ATOM 1345 C VAL A 93 -1.087 -1.759 -0.708 1.00 0.00 C ATOM 1346 O VAL A 93 -1.238 -1.273 0.409 1.00 0.00 O ATOM 1347 CB VAL A 93 0.605 -0.475 -2.051 1.00 0.00 C ATOM 1348 CG1 VAL A 93 0.726 0.653 -1.045 1.00 0.00 C ATOM 1349 CG2 VAL A 93 1.881 -0.598 -2.863 1.00 0.00 C ATOM 0 H VAL A 93 0.226 -2.666 -3.269 1.00 0.00 H new ATOM 0 HA VAL A 93 1.033 -1.982 -0.583 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.221 -0.236 -2.721 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.952 1.583 -1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.214 0.760 -0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.527 0.428 -0.341 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.097 0.354 -3.348 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.707 -0.865 -2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.757 -1.371 -3.621 1.00 0.00 H new ATOM 1359 N PHE A 94 -2.089 -2.265 -1.416 1.00 0.00 N ATOM 1360 CA PHE A 94 -3.441 -2.353 -0.871 1.00 0.00 C ATOM 1361 C PHE A 94 -4.137 -3.519 -1.486 1.00 0.00 C ATOM 1362 O PHE A 94 -3.585 -4.202 -2.348 1.00 0.00 O ATOM 1363 CB PHE A 94 -4.298 -1.116 -1.170 1.00 0.00 C ATOM 1364 CG PHE A 94 -3.533 0.151 -1.244 1.00 0.00 C ATOM 1365 CD1 PHE A 94 -2.794 0.431 -2.369 1.00 0.00 C ATOM 1366 CD2 PHE A 94 -3.531 1.046 -0.199 1.00 0.00 C ATOM 1367 CE1 PHE A 94 -2.064 1.578 -2.455 1.00 0.00 C ATOM 1368 CE2 PHE A 94 -2.808 2.203 -0.280 1.00 0.00 C ATOM 1369 CZ PHE A 94 -2.070 2.470 -1.403 1.00 0.00 C ATOM 0 H PHE A 94 -1.993 -2.620 -2.367 1.00 0.00 H new ATOM 0 HA PHE A 94 -3.331 -2.446 0.209 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.818 -1.269 -2.116 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.061 -1.022 -0.398 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.792 -0.266 -3.194 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -4.104 0.833 0.691 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.484 1.788 -3.342 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -2.818 2.906 0.540 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.492 3.380 -1.465 1.00 0.00 H new ATOM 1379 N CYS A 95 -5.356 -3.722 -1.064 1.00 0.00 N ATOM 1380 CA CYS A 95 -6.185 -4.733 -1.633 1.00 0.00 C ATOM 1381 C CYS A 95 -7.638 -4.268 -1.640 1.00 0.00 C ATOM 1382 O CYS A 95 -8.224 -4.056 -0.595 1.00 0.00 O ATOM 1383 CB CYS A 95 -6.031 -5.977 -0.782 1.00 0.00 C ATOM 1384 SG CYS A 95 -4.349 -6.623 -0.640 1.00 0.00 S ATOM 0 H CYS A 95 -5.796 -3.187 -0.315 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.895 -4.941 -2.663 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -6.403 -5.759 0.219 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -6.668 -6.759 -1.195 1.00 0.00 H new ATOM 0 HG CYS A 95 -4.199 -7.191 0.520 1.00 0.00 H new ATOM 1390 N SER A 96 -8.219 -4.186 -2.822 1.00 0.00 N ATOM 1391 CA SER A 96 -9.615 -3.759 -3.000 1.00 0.00 C ATOM 1392 C SER A 96 -10.489 -4.918 -3.481 1.00 0.00 C ATOM 1393 O SER A 96 -10.013 -6.027 -3.565 1.00 0.00 O ATOM 1394 CB SER A 96 -9.711 -2.579 -3.951 1.00 0.00 C ATOM 1395 OG SER A 96 -9.198 -1.406 -3.342 1.00 0.00 O ATOM 0 H SER A 96 -7.744 -4.412 -3.696 1.00 0.00 H new ATOM 0 HA SER A 96 -9.988 -3.437 -2.028 1.00 0.00 H new ATOM 0 HB2 SER A 96 -9.156 -2.794 -4.864 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.750 -2.421 -4.240 1.00 0.00 H new ATOM 0 HG SER A 96 -8.495 -1.024 -3.908 1.00 0.00 H new ATOM 1401 N SER A 97 -11.786 -4.705 -3.676 1.00 0.00 N ATOM 1402 CA SER A 97 -12.634 -5.786 -4.183 1.00 0.00 C ATOM 1403 C SER A 97 -12.111 -6.245 -5.540 1.00 0.00 C ATOM 1404 O SER A 97 -12.000 -7.438 -5.809 1.00 0.00 O ATOM 1405 CB SER A 97 -14.096 -5.344 -4.301 1.00 0.00 C ATOM 1406 OG SER A 97 -14.951 -6.437 -4.586 1.00 0.00 O ATOM 0 H SER A 97 -12.265 -3.822 -3.498 1.00 0.00 H new ATOM 0 HA SER A 97 -12.597 -6.614 -3.475 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.409 -4.869 -3.371 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.188 -4.595 -5.088 1.00 0.00 H new ATOM 0 HG SER A 97 -15.876 -6.120 -4.653 1.00 0.00 H new