USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 496 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 2 GLN : amide:sc= -0.0681 K(o=-3.7,f=-5.5!) USER MOD Set 1.2: A 65 ASN : amide:sc= -3.59! C(o=-3.7!,f=-3.7!) USER MOD Set 2.1: A 1 MET CE :methyl -153:sc= -4.17! (180deg=-5.01!) USER MOD Set 2.2: A 22 ASN : amide:sc= -5.33! C(o=-9.5!,f=-13!) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.829 (180deg=-1.42!) USER MOD Single : A 4 LYS NZ :NH3+ -163:sc= -0.107 (180deg=-0.547) USER MOD Single : A 5 THR OG1 : rot 29:sc= 0.816 USER MOD Single : A 7 SER OG : rot 73:sc= 0.936 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 36:sc= 0.0932 USER MOD Single : A 13 ASN : amide:sc= -0.104 K(o=-0.1,f=-2!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 4:sc= 0.756 USER MOD Single : A 30 THR OG1 : rot -46:sc= 0.646 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0151 USER MOD Single : A 52 SER OG : rot -110:sc= -2.86! USER MOD Single : A 53 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0134) USER MOD Single : A 57 THR OG1 : rot 71:sc= 0.797 USER MOD Single : A 62 THR OG1 : rot 75:sc= 1.03 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.187 USER MOD Single : A 67 ASN : amide:sc= -5.81! C(o=-5.8!,f=-9.4!) USER MOD Single : A 68 HIS : no HD1:sc= 0.144 K(o=0.14,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.032 12.475 -2.426 1.00 0.00 N ATOM 2 CA MET A 1 10.247 11.853 -1.323 1.00 0.00 C ATOM 3 C MET A 1 10.671 10.394 -1.161 1.00 0.00 C ATOM 4 O MET A 1 11.555 9.915 -1.840 1.00 0.00 O ATOM 5 CB MET A 1 8.745 11.922 -1.631 1.00 0.00 C ATOM 6 CG MET A 1 8.484 11.574 -3.097 1.00 0.00 C ATOM 7 SD MET A 1 8.847 12.994 -4.169 1.00 0.00 S ATOM 8 CE MET A 1 7.943 14.261 -3.245 1.00 0.00 C ATOM 0 H1 MET A 1 10.402 13.055 -3.016 1.00 0.00 H new ATOM 0 H2 MET A 1 11.780 13.075 -2.024 1.00 0.00 H new ATOM 0 H3 MET A 1 11.463 11.729 -3.009 1.00 0.00 H new ATOM 0 HA MET A 1 10.440 12.398 -0.399 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.203 11.232 -0.985 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.369 12.922 -1.416 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.101 10.724 -3.389 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.444 11.272 -3.225 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.631 15.054 -3.925 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.064 13.815 -2.780 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.589 14.679 -2.473 1.00 0.00 H new ATOM 20 N GLN A 2 10.042 9.684 -0.266 1.00 0.00 N ATOM 21 CA GLN A 2 10.394 8.255 -0.049 1.00 0.00 C ATOM 22 C GLN A 2 9.199 7.539 0.570 1.00 0.00 C ATOM 23 O GLN A 2 8.634 7.977 1.552 1.00 0.00 O ATOM 24 CB GLN A 2 11.601 8.144 0.889 1.00 0.00 C ATOM 25 CG GLN A 2 12.495 9.366 0.714 1.00 0.00 C ATOM 26 CD GLN A 2 13.580 9.365 1.794 1.00 0.00 C ATOM 27 OE1 GLN A 2 13.738 8.399 2.512 1.00 0.00 O ATOM 28 NE2 GLN A 2 14.340 10.415 1.939 1.00 0.00 N ATOM 0 H GLN A 2 9.293 10.037 0.329 1.00 0.00 H new ATOM 0 HA GLN A 2 10.649 7.797 -1.004 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.266 8.071 1.924 1.00 0.00 H new ATOM 0 HB3 GLN A 2 12.162 7.235 0.671 1.00 0.00 H new ATOM 0 HG2 GLN A 2 12.952 9.356 -0.275 1.00 0.00 H new ATOM 0 HG3 GLN A 2 11.901 10.277 0.782 1.00 0.00 H new ATOM 0 HE21 GLN A 2 14.208 11.227 1.336 1.00 0.00 H new ATOM 0 HE22 GLN A 2 15.066 10.424 2.655 1.00 0.00 H new ATOM 37 N CYS A 3 8.805 6.444 -0.006 1.00 0.00 N ATOM 38 CA CYS A 3 7.636 5.696 0.538 1.00 0.00 C ATOM 39 C CYS A 3 7.784 4.208 0.222 1.00 0.00 C ATOM 40 O CYS A 3 7.945 3.815 -0.917 1.00 0.00 O ATOM 41 CB CYS A 3 6.355 6.250 -0.089 1.00 0.00 C ATOM 42 SG CYS A 3 6.039 7.889 0.595 1.00 0.00 S ATOM 0 H CYS A 3 9.240 6.031 -0.831 1.00 0.00 H new ATOM 0 HA CYS A 3 7.588 5.817 1.620 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.458 6.306 -1.173 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.515 5.586 0.117 1.00 0.00 H new ATOM 47 N LYS A 4 7.742 3.381 1.230 1.00 0.00 N ATOM 48 CA LYS A 4 7.892 1.916 1.005 1.00 0.00 C ATOM 49 C LYS A 4 6.772 1.408 0.097 1.00 0.00 C ATOM 50 O LYS A 4 5.635 1.825 0.197 1.00 0.00 O ATOM 51 CB LYS A 4 7.831 1.186 2.349 1.00 0.00 C ATOM 52 CG LYS A 4 9.034 0.251 2.473 1.00 0.00 C ATOM 53 CD LYS A 4 9.086 -0.681 1.260 1.00 0.00 C ATOM 54 CE LYS A 4 10.042 -1.840 1.548 1.00 0.00 C ATOM 55 NZ LYS A 4 11.020 -1.966 0.431 1.00 0.00 N ATOM 0 H LYS A 4 7.610 3.658 2.203 1.00 0.00 H new ATOM 0 HA LYS A 4 8.852 1.724 0.526 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.830 1.906 3.167 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.905 0.617 2.425 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.954 0.832 2.538 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.961 -0.333 3.390 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.090 -1.064 1.039 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.419 -0.131 0.380 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.567 -1.668 2.488 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.482 -2.768 1.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.474 -2.901 0.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.525 -1.860 -0.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.744 -1.225 0.519 1.00 0.00 H new ATOM 69 N THR A 5 7.088 0.500 -0.784 1.00 0.00 N ATOM 70 CA THR A 5 6.053 -0.054 -1.700 1.00 0.00 C ATOM 71 C THR A 5 6.409 -1.503 -2.034 1.00 0.00 C ATOM 72 O THR A 5 6.459 -1.893 -3.183 1.00 0.00 O ATOM 73 CB THR A 5 6.010 0.774 -2.988 1.00 0.00 C ATOM 74 OG1 THR A 5 7.323 0.890 -3.517 1.00 0.00 O ATOM 75 CG2 THR A 5 5.453 2.166 -2.686 1.00 0.00 C ATOM 0 H THR A 5 8.025 0.116 -0.909 1.00 0.00 H new ATOM 0 HA THR A 5 5.076 -0.016 -1.218 1.00 0.00 H new ATOM 0 HB THR A 5 5.367 0.280 -3.716 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.849 0.103 -3.262 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.423 2.753 -3.604 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.445 2.075 -2.281 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.093 2.664 -1.957 1.00 0.00 H new ATOM 83 N CYS A 6 6.670 -2.302 -1.035 1.00 0.00 N ATOM 84 CA CYS A 6 7.037 -3.724 -1.286 1.00 0.00 C ATOM 85 C CYS A 6 5.815 -4.497 -1.784 1.00 0.00 C ATOM 86 O CYS A 6 4.806 -3.924 -2.145 1.00 0.00 O ATOM 87 CB CYS A 6 7.538 -4.356 0.012 1.00 0.00 C ATOM 88 SG CYS A 6 6.265 -4.190 1.289 1.00 0.00 S ATOM 0 H CYS A 6 6.645 -2.029 -0.052 1.00 0.00 H new ATOM 0 HA CYS A 6 7.821 -3.763 -2.042 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.773 -5.408 -0.149 1.00 0.00 H new ATOM 0 HB3 CYS A 6 8.459 -3.870 0.335 1.00 0.00 H new ATOM 93 N SER A 7 5.901 -5.800 -1.807 1.00 0.00 N ATOM 94 CA SER A 7 4.751 -6.620 -2.280 1.00 0.00 C ATOM 95 C SER A 7 4.202 -7.452 -1.118 1.00 0.00 C ATOM 96 O SER A 7 3.412 -8.355 -1.308 1.00 0.00 O ATOM 97 CB SER A 7 5.222 -7.554 -3.395 1.00 0.00 C ATOM 98 OG SER A 7 6.592 -7.875 -3.188 1.00 0.00 O ATOM 0 H SER A 7 6.721 -6.332 -1.517 1.00 0.00 H new ATOM 0 HA SER A 7 3.967 -5.964 -2.657 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.620 -8.463 -3.403 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.091 -7.076 -4.366 1.00 0.00 H new ATOM 0 HG SER A 7 6.673 -8.487 -2.427 1.00 0.00 H new ATOM 104 N PHE A 8 4.613 -7.154 0.083 1.00 0.00 N ATOM 105 CA PHE A 8 4.115 -7.927 1.255 1.00 0.00 C ATOM 106 C PHE A 8 3.150 -7.050 2.062 1.00 0.00 C ATOM 107 O PHE A 8 2.796 -5.965 1.649 1.00 0.00 O ATOM 108 CB PHE A 8 5.300 -8.339 2.133 1.00 0.00 C ATOM 109 CG PHE A 8 6.441 -8.799 1.258 1.00 0.00 C ATOM 110 CD1 PHE A 8 6.178 -9.453 0.049 1.00 0.00 C ATOM 111 CD2 PHE A 8 7.764 -8.573 1.658 1.00 0.00 C ATOM 112 CE1 PHE A 8 7.237 -9.881 -0.760 1.00 0.00 C ATOM 113 CE2 PHE A 8 8.823 -9.001 0.849 1.00 0.00 C ATOM 114 CZ PHE A 8 8.559 -9.656 -0.360 1.00 0.00 C ATOM 0 H PHE A 8 5.273 -6.408 0.304 1.00 0.00 H new ATOM 0 HA PHE A 8 3.594 -8.822 0.914 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.618 -7.499 2.751 1.00 0.00 H new ATOM 0 HB3 PHE A 8 5.003 -9.139 2.811 1.00 0.00 H new ATOM 0 HD1 PHE A 8 5.158 -9.627 -0.260 1.00 0.00 H new ATOM 0 HD2 PHE A 8 7.967 -8.068 2.591 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.034 -10.385 -1.693 1.00 0.00 H new ATOM 0 HE2 PHE A 8 9.843 -8.826 1.157 1.00 0.00 H new ATOM 0 HZ PHE A 8 9.376 -9.988 -0.984 1.00 0.00 H new ATOM 124 N TYR A 9 2.723 -7.507 3.209 1.00 0.00 N ATOM 125 CA TYR A 9 1.783 -6.685 4.031 1.00 0.00 C ATOM 126 C TYR A 9 2.569 -5.915 5.090 1.00 0.00 C ATOM 127 O TYR A 9 2.001 -5.266 5.945 1.00 0.00 O ATOM 128 CB TYR A 9 0.745 -7.573 4.738 1.00 0.00 C ATOM 129 CG TYR A 9 1.043 -9.037 4.513 1.00 0.00 C ATOM 130 CD1 TYR A 9 1.965 -9.700 5.332 1.00 0.00 C ATOM 131 CD2 TYR A 9 0.393 -9.733 3.486 1.00 0.00 C ATOM 132 CE1 TYR A 9 2.237 -11.058 5.125 1.00 0.00 C ATOM 133 CE2 TYR A 9 0.664 -11.090 3.280 1.00 0.00 C ATOM 134 CZ TYR A 9 1.586 -11.752 4.098 1.00 0.00 C ATOM 135 OH TYR A 9 1.852 -13.090 3.893 1.00 0.00 O ATOM 0 H TYR A 9 2.981 -8.408 3.612 1.00 0.00 H new ATOM 0 HA TYR A 9 1.265 -5.996 3.364 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.745 -7.358 5.807 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -0.253 -7.340 4.366 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.467 -9.164 6.124 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -0.317 -9.222 2.853 1.00 0.00 H new ATOM 0 HE1 TYR A 9 2.948 -11.569 5.757 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.161 -11.627 2.489 1.00 0.00 H new ATOM 0 HH TYR A 9 1.315 -13.419 3.142 1.00 0.00 H new ATOM 145 N THR A 10 3.869 -5.986 5.049 1.00 0.00 N ATOM 146 CA THR A 10 4.677 -5.261 6.066 1.00 0.00 C ATOM 147 C THR A 10 6.163 -5.408 5.743 1.00 0.00 C ATOM 148 O THR A 10 6.761 -6.438 5.983 1.00 0.00 O ATOM 149 CB THR A 10 4.398 -5.862 7.441 1.00 0.00 C ATOM 150 OG1 THR A 10 5.388 -5.420 8.360 1.00 0.00 O ATOM 151 CG2 THR A 10 4.435 -7.386 7.337 1.00 0.00 C ATOM 0 H THR A 10 4.405 -6.512 4.359 1.00 0.00 H new ATOM 0 HA THR A 10 4.410 -4.204 6.060 1.00 0.00 H new ATOM 0 HB THR A 10 3.416 -5.544 7.791 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.634 -4.494 8.155 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.236 -7.822 8.316 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.676 -7.721 6.630 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.419 -7.703 6.991 1.00 0.00 H new ATOM 159 N CYS A 11 6.767 -4.386 5.207 1.00 0.00 N ATOM 160 CA CYS A 11 8.217 -4.471 4.880 1.00 0.00 C ATOM 161 C CYS A 11 8.982 -3.429 5.705 1.00 0.00 C ATOM 162 O CYS A 11 8.759 -2.244 5.555 1.00 0.00 O ATOM 163 CB CYS A 11 8.444 -4.203 3.385 1.00 0.00 C ATOM 164 SG CYS A 11 7.157 -3.103 2.739 1.00 0.00 S ATOM 0 H CYS A 11 6.321 -3.497 4.981 1.00 0.00 H new ATOM 0 HA CYS A 11 8.577 -5.472 5.117 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.425 -3.753 3.234 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.437 -5.144 2.835 1.00 0.00 H new ATOM 169 N PRO A 12 9.866 -3.899 6.551 1.00 0.00 N ATOM 170 CA PRO A 12 10.679 -3.020 7.407 1.00 0.00 C ATOM 171 C PRO A 12 11.777 -2.365 6.574 1.00 0.00 C ATOM 172 O PRO A 12 12.365 -1.377 6.963 1.00 0.00 O ATOM 173 CB PRO A 12 11.267 -3.972 8.452 1.00 0.00 C ATOM 174 CG PRO A 12 11.220 -5.384 7.827 1.00 0.00 C ATOM 175 CD PRO A 12 10.142 -5.338 6.728 1.00 0.00 C ATOM 0 HA PRO A 12 10.113 -2.209 7.864 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.290 -3.691 8.702 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.692 -3.937 9.377 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.189 -5.656 7.409 1.00 0.00 H new ATOM 0 HG3 PRO A 12 10.976 -6.134 8.579 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.497 -5.792 5.803 1.00 0.00 H new ATOM 0 HD3 PRO A 12 9.246 -5.882 7.026 1.00 0.00 H new ATOM 183 N ASN A 13 12.049 -2.908 5.421 1.00 0.00 N ATOM 184 CA ASN A 13 13.101 -2.314 4.550 1.00 0.00 C ATOM 185 C ASN A 13 12.688 -0.891 4.168 1.00 0.00 C ATOM 186 O ASN A 13 11.762 -0.335 4.724 1.00 0.00 O ATOM 187 CB ASN A 13 13.257 -3.158 3.284 1.00 0.00 C ATOM 188 CG ASN A 13 13.993 -4.457 3.621 1.00 0.00 C ATOM 189 OD1 ASN A 13 14.727 -4.519 4.588 1.00 0.00 O ATOM 190 ND2 ASN A 13 13.824 -5.504 2.861 1.00 0.00 N ATOM 0 H ASN A 13 11.589 -3.737 5.044 1.00 0.00 H new ATOM 0 HA ASN A 13 14.050 -2.292 5.085 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.278 -3.382 2.861 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.810 -2.600 2.529 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.308 -6.375 3.078 1.00 0.00 H new ATOM 0 HD22 ASN A 13 13.208 -5.451 2.050 1.00 0.00 H new ATOM 197 N SER A 14 13.361 -0.297 3.222 1.00 0.00 N ATOM 198 CA SER A 14 12.997 1.089 2.810 1.00 0.00 C ATOM 199 C SER A 14 12.962 1.173 1.283 1.00 0.00 C ATOM 200 O SER A 14 13.632 0.427 0.596 1.00 0.00 O ATOM 201 CB SER A 14 14.037 2.073 3.349 1.00 0.00 C ATOM 202 OG SER A 14 14.748 1.467 4.419 1.00 0.00 O ATOM 0 H SER A 14 14.145 -0.709 2.717 1.00 0.00 H new ATOM 0 HA SER A 14 12.016 1.341 3.212 1.00 0.00 H new ATOM 0 HB2 SER A 14 14.727 2.361 2.556 1.00 0.00 H new ATOM 0 HB3 SER A 14 13.548 2.985 3.693 1.00 0.00 H new ATOM 0 HG SER A 14 15.416 2.095 4.765 1.00 0.00 H new ATOM 208 N GLU A 15 12.189 2.076 0.744 1.00 0.00 N ATOM 209 CA GLU A 15 12.118 2.203 -0.739 1.00 0.00 C ATOM 210 C GLU A 15 11.776 3.646 -1.117 1.00 0.00 C ATOM 211 O GLU A 15 10.625 4.032 -1.174 1.00 0.00 O ATOM 212 CB GLU A 15 11.044 1.263 -1.286 1.00 0.00 C ATOM 213 CG GLU A 15 11.486 0.733 -2.651 1.00 0.00 C ATOM 214 CD GLU A 15 10.261 0.288 -3.449 1.00 0.00 C ATOM 215 OE1 GLU A 15 9.458 -0.449 -2.900 1.00 0.00 O ATOM 216 OE2 GLU A 15 10.147 0.690 -4.595 1.00 0.00 O ATOM 0 H GLU A 15 11.605 2.730 1.265 1.00 0.00 H new ATOM 0 HA GLU A 15 13.084 1.936 -1.168 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.883 0.435 -0.596 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.095 1.791 -1.378 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.026 1.508 -3.196 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.173 -0.104 -2.523 1.00 0.00 H new ATOM 223 N THR A 16 12.774 4.442 -1.374 1.00 0.00 N ATOM 224 CA THR A 16 12.532 5.862 -1.749 1.00 0.00 C ATOM 225 C THR A 16 11.680 5.929 -3.019 1.00 0.00 C ATOM 226 O THR A 16 11.532 4.960 -3.738 1.00 0.00 O ATOM 227 CB THR A 16 13.884 6.546 -1.993 1.00 0.00 C ATOM 228 OG1 THR A 16 14.508 6.811 -0.744 1.00 0.00 O ATOM 229 CG2 THR A 16 13.677 7.861 -2.747 1.00 0.00 C ATOM 0 H THR A 16 13.756 4.168 -1.340 1.00 0.00 H new ATOM 0 HA THR A 16 12.000 6.369 -0.944 1.00 0.00 H new ATOM 0 HB THR A 16 14.516 5.889 -2.590 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.373 7.246 -0.896 1.00 0.00 H new ATOM 0 HG21 THR A 16 14.642 8.339 -2.916 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.199 7.659 -3.706 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.042 8.522 -2.157 1.00 0.00 H new ATOM 237 N CYS A 17 11.126 7.077 -3.302 1.00 0.00 N ATOM 238 CA CYS A 17 10.287 7.240 -4.522 1.00 0.00 C ATOM 239 C CYS A 17 11.088 8.039 -5.553 1.00 0.00 C ATOM 240 O CYS A 17 12.067 8.673 -5.211 1.00 0.00 O ATOM 241 CB CYS A 17 8.995 7.982 -4.142 1.00 0.00 C ATOM 242 SG CYS A 17 8.042 6.978 -2.979 1.00 0.00 S ATOM 0 H CYS A 17 11.221 7.918 -2.733 1.00 0.00 H new ATOM 0 HA CYS A 17 10.021 6.272 -4.947 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.235 8.946 -3.694 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.403 8.184 -5.035 1.00 0.00 H new ATOM 247 N PRO A 18 10.665 7.974 -6.788 1.00 0.00 N ATOM 248 CA PRO A 18 11.349 8.674 -7.890 1.00 0.00 C ATOM 249 C PRO A 18 11.108 10.185 -7.815 1.00 0.00 C ATOM 250 O PRO A 18 10.448 10.675 -6.921 1.00 0.00 O ATOM 251 CB PRO A 18 10.727 8.060 -9.146 1.00 0.00 C ATOM 252 CG PRO A 18 9.370 7.459 -8.717 1.00 0.00 C ATOM 253 CD PRO A 18 9.469 7.210 -7.202 1.00 0.00 C ATOM 0 HA PRO A 18 12.433 8.558 -7.865 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.589 8.816 -9.919 1.00 0.00 H new ATOM 0 HB3 PRO A 18 11.377 7.291 -9.564 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.552 8.142 -8.946 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.169 6.531 -9.252 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.576 7.556 -6.682 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.577 6.149 -6.979 1.00 0.00 H new ATOM 261 N ASP A 19 11.655 10.924 -8.742 1.00 0.00 N ATOM 262 CA ASP A 19 11.477 12.405 -8.726 1.00 0.00 C ATOM 263 C ASP A 19 10.172 12.777 -9.424 1.00 0.00 C ATOM 264 O ASP A 19 10.135 13.634 -10.284 1.00 0.00 O ATOM 265 CB ASP A 19 12.636 13.060 -9.465 1.00 0.00 C ATOM 266 CG ASP A 19 13.809 13.265 -8.505 1.00 0.00 C ATOM 267 OD1 ASP A 19 14.526 12.307 -8.265 1.00 0.00 O ATOM 268 OD2 ASP A 19 13.971 14.375 -8.026 1.00 0.00 O ATOM 0 H ASP A 19 12.219 10.565 -9.512 1.00 0.00 H new ATOM 0 HA ASP A 19 11.450 12.751 -7.693 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.945 12.436 -10.304 1.00 0.00 H new ATOM 0 HB3 ASP A 19 12.321 14.018 -9.879 1.00 0.00 H new ATOM 273 N GLY A 20 9.104 12.137 -9.061 1.00 0.00 N ATOM 274 CA GLY A 20 7.795 12.446 -9.699 1.00 0.00 C ATOM 275 C GLY A 20 6.646 12.072 -8.759 1.00 0.00 C ATOM 276 O GLY A 20 5.606 12.699 -8.763 1.00 0.00 O ATOM 0 H GLY A 20 9.077 11.409 -8.347 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.743 13.507 -9.944 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.701 11.898 -10.636 1.00 0.00 H new ATOM 280 N LYS A 21 6.812 11.052 -7.960 1.00 0.00 N ATOM 281 CA LYS A 21 5.714 10.657 -7.045 1.00 0.00 C ATOM 282 C LYS A 21 5.697 11.580 -5.836 1.00 0.00 C ATOM 283 O LYS A 21 6.350 12.605 -5.826 1.00 0.00 O ATOM 284 CB LYS A 21 5.912 9.218 -6.575 1.00 0.00 C ATOM 285 CG LYS A 21 5.017 8.272 -7.376 1.00 0.00 C ATOM 286 CD LYS A 21 3.609 8.853 -7.506 1.00 0.00 C ATOM 287 CE LYS A 21 3.378 9.317 -8.945 1.00 0.00 C ATOM 288 NZ LYS A 21 1.915 9.373 -9.220 1.00 0.00 N ATOM 0 H LYS A 21 7.656 10.482 -7.905 1.00 0.00 H new ATOM 0 HA LYS A 21 4.767 10.733 -7.580 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.956 8.930 -6.694 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.678 9.139 -5.513 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.443 8.109 -8.366 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.972 7.300 -6.885 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.868 8.102 -7.232 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.485 9.690 -6.819 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.825 10.299 -9.098 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.864 8.633 -9.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.758 9.688 -10.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.501 8.428 -9.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.464 10.042 -8.564 1.00 0.00 H new ATOM 302 N ASN A 22 4.950 11.247 -4.815 1.00 0.00 N ATOM 303 CA ASN A 22 4.920 12.169 -3.640 1.00 0.00 C ATOM 304 C ASN A 22 4.353 11.522 -2.372 1.00 0.00 C ATOM 305 O ASN A 22 4.253 12.181 -1.357 1.00 0.00 O ATOM 306 CB ASN A 22 4.043 13.375 -3.980 1.00 0.00 C ATOM 307 CG ASN A 22 4.916 14.526 -4.484 1.00 0.00 C ATOM 308 OD1 ASN A 22 5.423 15.309 -3.704 1.00 0.00 O ATOM 309 ND2 ASN A 22 5.113 14.661 -5.768 1.00 0.00 N ATOM 0 H ASN A 22 4.377 10.406 -4.742 1.00 0.00 H new ATOM 0 HA ASN A 22 5.953 12.450 -3.437 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.312 13.101 -4.741 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.484 13.690 -3.099 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.693 15.424 -6.118 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.687 14.003 -6.421 1.00 0.00 H new ATOM 316 N ILE A 23 3.953 10.282 -2.375 1.00 0.00 N ATOM 317 CA ILE A 23 3.390 9.754 -1.102 1.00 0.00 C ATOM 318 C ILE A 23 3.552 8.242 -0.968 1.00 0.00 C ATOM 319 O ILE A 23 3.930 7.540 -1.879 1.00 0.00 O ATOM 320 CB ILE A 23 1.899 10.122 -1.035 1.00 0.00 C ATOM 321 CG1 ILE A 23 1.650 10.977 0.196 1.00 0.00 C ATOM 322 CG2 ILE A 23 1.023 8.864 -0.940 1.00 0.00 C ATOM 323 CD1 ILE A 23 0.146 11.183 0.347 1.00 0.00 C ATOM 0 H ILE A 23 3.987 9.636 -3.164 1.00 0.00 H new ATOM 0 HA ILE A 23 3.943 10.205 -0.278 1.00 0.00 H new ATOM 0 HB ILE A 23 1.640 10.666 -1.944 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.057 10.491 1.083 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.156 11.938 0.099 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.027 9.154 -0.894 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.188 8.238 -1.817 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.285 8.305 -0.041 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.051 11.795 1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.243 11.685 -0.539 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.344 10.216 0.461 1.00 0.00 H new ATOM 335 N CYS A 24 3.208 7.761 0.191 1.00 0.00 N ATOM 336 CA CYS A 24 3.265 6.310 0.479 1.00 0.00 C ATOM 337 C CYS A 24 1.831 5.802 0.583 1.00 0.00 C ATOM 338 O CYS A 24 1.181 6.012 1.585 1.00 0.00 O ATOM 339 CB CYS A 24 3.952 6.078 1.833 1.00 0.00 C ATOM 340 SG CYS A 24 5.011 7.485 2.281 1.00 0.00 S ATOM 0 H CYS A 24 2.881 8.332 0.970 1.00 0.00 H new ATOM 0 HA CYS A 24 3.818 5.794 -0.306 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.198 5.926 2.605 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.551 5.168 1.789 1.00 0.00 H new ATOM 345 N VAL A 25 1.316 5.155 -0.429 1.00 0.00 N ATOM 346 CA VAL A 25 -0.091 4.676 -0.329 1.00 0.00 C ATOM 347 C VAL A 25 -0.172 3.158 -0.499 1.00 0.00 C ATOM 348 O VAL A 25 0.094 2.618 -1.555 1.00 0.00 O ATOM 349 CB VAL A 25 -0.962 5.358 -1.388 1.00 0.00 C ATOM 350 CG1 VAL A 25 -0.883 6.873 -1.230 1.00 0.00 C ATOM 351 CG2 VAL A 25 -0.503 4.973 -2.788 1.00 0.00 C ATOM 0 H VAL A 25 1.797 4.941 -1.302 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.460 4.933 0.664 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.992 5.028 -1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.505 7.351 -1.987 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.237 7.154 -0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.150 7.198 -1.352 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.134 5.467 -3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.532 5.283 -2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.578 3.893 -2.911 1.00 0.00 H new ATOM 361 N LYS A 26 -0.572 2.470 0.537 1.00 0.00 N ATOM 362 CA LYS A 26 -0.715 0.989 0.452 1.00 0.00 C ATOM 363 C LYS A 26 -2.198 0.648 0.616 1.00 0.00 C ATOM 364 O LYS A 26 -2.931 1.353 1.283 1.00 0.00 O ATOM 365 CB LYS A 26 0.103 0.314 1.557 1.00 0.00 C ATOM 366 CG LYS A 26 -0.558 0.556 2.915 1.00 0.00 C ATOM 367 CD LYS A 26 0.499 1.028 3.915 1.00 0.00 C ATOM 368 CE LYS A 26 0.673 -0.026 5.010 1.00 0.00 C ATOM 369 NZ LYS A 26 -0.143 0.354 6.199 1.00 0.00 N ATOM 0 H LYS A 26 -0.807 2.874 1.444 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.347 0.631 -0.509 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.177 -0.756 1.364 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.119 0.708 1.562 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.346 1.304 2.821 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.029 -0.360 3.271 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.447 1.198 3.405 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.199 1.979 4.355 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.364 -1.004 4.641 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.724 -0.108 5.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.025 -0.362 6.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.172 1.279 6.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.146 0.410 5.928 1.00 0.00 H new ATOM 383 N ARG A 27 -2.656 -0.405 -0.001 1.00 0.00 N ATOM 384 CA ARG A 27 -4.102 -0.757 0.110 1.00 0.00 C ATOM 385 C ARG A 27 -4.286 -2.253 0.349 1.00 0.00 C ATOM 386 O ARG A 27 -3.360 -3.035 0.282 1.00 0.00 O ATOM 387 CB ARG A 27 -4.813 -0.376 -1.193 1.00 0.00 C ATOM 388 CG ARG A 27 -4.585 1.106 -1.496 1.00 0.00 C ATOM 389 CD ARG A 27 -5.168 1.441 -2.871 1.00 0.00 C ATOM 390 NE ARG A 27 -4.413 0.707 -3.926 1.00 0.00 N ATOM 391 CZ ARG A 27 -4.307 1.213 -5.124 1.00 0.00 C ATOM 392 NH1 ARG A 27 -5.307 1.869 -5.647 1.00 0.00 N ATOM 393 NH2 ARG A 27 -3.201 1.062 -5.801 1.00 0.00 N ATOM 0 H ARG A 27 -2.096 -1.035 -0.575 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.525 -0.212 0.954 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.437 -0.986 -2.014 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.881 -0.579 -1.108 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.056 1.722 -0.730 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.519 1.332 -1.476 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.222 1.167 -2.907 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.111 2.515 -3.049 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.979 -0.191 -3.711 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.172 1.986 -5.119 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.224 2.264 -6.584 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.420 0.548 -5.393 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.118 1.458 -6.738 1.00 0.00 H new ATOM 407 N SER A 28 -5.501 -2.644 0.621 1.00 0.00 N ATOM 408 CA SER A 28 -5.812 -4.076 0.862 1.00 0.00 C ATOM 409 C SER A 28 -7.313 -4.267 0.668 1.00 0.00 C ATOM 410 O SER A 28 -8.113 -3.763 1.429 1.00 0.00 O ATOM 411 CB SER A 28 -5.428 -4.456 2.293 1.00 0.00 C ATOM 412 OG SER A 28 -6.319 -3.823 3.203 1.00 0.00 O ATOM 0 H SER A 28 -6.303 -2.018 0.687 1.00 0.00 H new ATOM 0 HA SER A 28 -5.253 -4.707 0.172 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.470 -5.538 2.418 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.402 -4.151 2.499 1.00 0.00 H new ATOM 0 HG SER A 28 -7.006 -3.335 2.702 1.00 0.00 H new ATOM 418 N TRP A 29 -7.713 -4.995 -0.331 1.00 0.00 N ATOM 419 CA TRP A 29 -9.164 -5.199 -0.540 1.00 0.00 C ATOM 420 C TRP A 29 -9.488 -6.662 -0.260 1.00 0.00 C ATOM 421 O TRP A 29 -8.677 -7.377 0.282 1.00 0.00 O ATOM 422 CB TRP A 29 -9.580 -4.790 -1.964 1.00 0.00 C ATOM 423 CG TRP A 29 -8.657 -5.347 -3.005 1.00 0.00 C ATOM 424 CD1 TRP A 29 -9.030 -6.217 -3.969 1.00 0.00 C ATOM 425 CD2 TRP A 29 -7.245 -5.066 -3.241 1.00 0.00 C ATOM 426 NE1 TRP A 29 -7.942 -6.503 -4.765 1.00 0.00 N ATOM 427 CE2 TRP A 29 -6.820 -5.821 -4.358 1.00 0.00 C ATOM 428 CE3 TRP A 29 -6.301 -4.247 -2.599 1.00 0.00 C ATOM 429 CZ2 TRP A 29 -5.512 -5.768 -4.823 1.00 0.00 C ATOM 430 CZ3 TRP A 29 -4.975 -4.189 -3.064 1.00 0.00 C ATOM 431 CH2 TRP A 29 -4.584 -4.948 -4.176 1.00 0.00 C ATOM 0 H TRP A 29 -7.102 -5.454 -1.006 1.00 0.00 H new ATOM 0 HA TRP A 29 -9.730 -4.566 0.143 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -10.595 -5.137 -2.158 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -9.595 -3.703 -2.038 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -10.023 -6.623 -4.096 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -7.966 -7.143 -5.559 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -6.596 -3.658 -1.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -5.215 -6.356 -5.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.256 -3.558 -2.563 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -3.566 -4.899 -4.532 1.00 0.00 H new ATOM 442 N THR A 30 -10.659 -7.110 -0.596 1.00 0.00 N ATOM 443 CA THR A 30 -11.019 -8.527 -0.321 1.00 0.00 C ATOM 444 C THR A 30 -11.794 -9.076 -1.507 1.00 0.00 C ATOM 445 O THR A 30 -12.599 -9.979 -1.393 1.00 0.00 O ATOM 446 CB THR A 30 -11.885 -8.579 0.921 1.00 0.00 C ATOM 447 OG1 THR A 30 -12.126 -9.932 1.283 1.00 0.00 O ATOM 448 CG2 THR A 30 -13.201 -7.881 0.617 1.00 0.00 C ATOM 0 H THR A 30 -11.386 -6.557 -1.050 1.00 0.00 H new ATOM 0 HA THR A 30 -10.120 -9.123 -0.165 1.00 0.00 H new ATOM 0 HB THR A 30 -11.382 -8.082 1.751 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.380 -10.443 0.487 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.840 -7.908 1.500 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.008 -6.845 0.340 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.701 -8.390 -0.208 1.00 0.00 H new ATOM 456 N ALA A 31 -11.550 -8.511 -2.638 1.00 0.00 N ATOM 457 CA ALA A 31 -12.242 -8.936 -3.879 1.00 0.00 C ATOM 458 C ALA A 31 -11.971 -10.419 -4.138 1.00 0.00 C ATOM 459 O ALA A 31 -10.850 -10.827 -4.372 1.00 0.00 O ATOM 460 CB ALA A 31 -11.703 -8.099 -5.038 1.00 0.00 C ATOM 0 H ALA A 31 -10.882 -7.750 -2.765 1.00 0.00 H new ATOM 0 HA ALA A 31 -13.318 -8.790 -3.781 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.199 -8.395 -5.962 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.896 -7.044 -4.845 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.629 -8.260 -5.135 1.00 0.00 H new ATOM 466 N VAL A 32 -12.993 -11.230 -4.089 1.00 0.00 N ATOM 467 CA VAL A 32 -12.809 -12.687 -4.325 1.00 0.00 C ATOM 468 C VAL A 32 -13.880 -13.185 -5.298 1.00 0.00 C ATOM 469 O VAL A 32 -15.039 -12.837 -5.190 1.00 0.00 O ATOM 470 CB VAL A 32 -12.939 -13.436 -2.999 1.00 0.00 C ATOM 471 CG1 VAL A 32 -14.215 -12.986 -2.285 1.00 0.00 C ATOM 472 CG2 VAL A 32 -13.009 -14.941 -3.266 1.00 0.00 C ATOM 0 H VAL A 32 -13.952 -10.942 -3.894 1.00 0.00 H new ATOM 0 HA VAL A 32 -11.821 -12.865 -4.749 1.00 0.00 H new ATOM 0 HB VAL A 32 -12.074 -13.219 -2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -14.310 -13.519 -1.339 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -14.166 -11.914 -2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -15.079 -13.204 -2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -13.102 -15.474 -2.320 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -13.874 -15.160 -3.892 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -12.101 -15.263 -3.776 1.00 0.00 H new ATOM 482 N ARG A 33 -13.504 -13.996 -6.247 1.00 0.00 N ATOM 483 CA ARG A 33 -14.501 -14.514 -7.227 1.00 0.00 C ATOM 484 C ARG A 33 -15.239 -15.715 -6.629 1.00 0.00 C ATOM 485 O ARG A 33 -16.447 -15.715 -6.508 1.00 0.00 O ATOM 486 CB ARG A 33 -13.780 -14.944 -8.506 1.00 0.00 C ATOM 487 CG ARG A 33 -12.913 -13.792 -9.019 1.00 0.00 C ATOM 488 CD ARG A 33 -13.726 -12.495 -9.014 1.00 0.00 C ATOM 489 NE ARG A 33 -14.912 -12.648 -9.903 1.00 0.00 N ATOM 490 CZ ARG A 33 -15.905 -11.805 -9.821 1.00 0.00 C ATOM 491 NH1 ARG A 33 -15.834 -10.784 -9.009 1.00 0.00 N ATOM 492 NH2 ARG A 33 -16.973 -11.981 -10.550 1.00 0.00 N ATOM 0 H ARG A 33 -12.548 -14.323 -6.387 1.00 0.00 H new ATOM 0 HA ARG A 33 -15.221 -13.729 -7.459 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -13.161 -15.819 -8.310 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -14.507 -15.232 -9.266 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.029 -13.681 -8.391 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.562 -14.009 -10.028 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.047 -12.258 -8.000 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.108 -11.664 -9.355 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.948 -13.413 -10.577 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -15.001 -10.644 -8.437 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.612 -10.127 -8.947 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -17.032 -12.778 -11.184 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -17.749 -11.322 -10.486 1.00 0.00 H new ATOM 506 N GLY A 34 -14.523 -16.741 -6.256 1.00 0.00 N ATOM 507 CA GLY A 34 -15.188 -17.939 -5.669 1.00 0.00 C ATOM 508 C GLY A 34 -14.503 -18.311 -4.352 1.00 0.00 C ATOM 509 O GLY A 34 -14.802 -17.762 -3.310 1.00 0.00 O ATOM 0 H GLY A 34 -13.508 -16.801 -6.332 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.244 -17.733 -5.496 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -15.136 -18.775 -6.367 1.00 0.00 H new ATOM 513 N ASP A 35 -13.586 -19.238 -4.389 1.00 0.00 N ATOM 514 CA ASP A 35 -12.884 -19.643 -3.138 1.00 0.00 C ATOM 515 C ASP A 35 -11.373 -19.513 -3.335 1.00 0.00 C ATOM 516 O ASP A 35 -10.590 -20.044 -2.573 1.00 0.00 O ATOM 517 CB ASP A 35 -13.229 -21.095 -2.806 1.00 0.00 C ATOM 518 CG ASP A 35 -12.746 -21.425 -1.393 1.00 0.00 C ATOM 519 OD1 ASP A 35 -13.364 -20.954 -0.451 1.00 0.00 O ATOM 520 OD2 ASP A 35 -11.766 -22.142 -1.275 1.00 0.00 O ATOM 0 H ASP A 35 -13.292 -19.733 -5.231 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.202 -18.997 -2.320 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -14.305 -21.250 -2.879 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.761 -21.765 -3.527 1.00 0.00 H new ATOM 525 N GLY A 36 -10.958 -18.812 -4.354 1.00 0.00 N ATOM 526 CA GLY A 36 -9.501 -18.649 -4.603 1.00 0.00 C ATOM 527 C GLY A 36 -8.898 -17.741 -3.522 1.00 0.00 C ATOM 528 O GLY A 36 -8.918 -18.078 -2.356 1.00 0.00 O ATOM 0 H GLY A 36 -11.568 -18.345 -5.025 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -9.008 -19.621 -4.594 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.335 -18.217 -5.590 1.00 0.00 H new ATOM 532 N PRO A 37 -8.381 -16.613 -3.942 1.00 0.00 N ATOM 533 CA PRO A 37 -7.767 -15.634 -3.028 1.00 0.00 C ATOM 534 C PRO A 37 -8.852 -14.861 -2.273 1.00 0.00 C ATOM 535 O PRO A 37 -10.027 -15.145 -2.397 1.00 0.00 O ATOM 536 CB PRO A 37 -6.979 -14.712 -3.963 1.00 0.00 C ATOM 537 CG PRO A 37 -7.621 -14.859 -5.362 1.00 0.00 C ATOM 538 CD PRO A 37 -8.363 -16.209 -5.360 1.00 0.00 C ATOM 0 HA PRO A 37 -7.136 -16.091 -2.266 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.027 -13.678 -3.620 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.926 -14.992 -3.987 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.309 -14.038 -5.562 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.861 -14.835 -6.143 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.373 -16.108 -5.758 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.849 -16.946 -5.977 1.00 0.00 H new ATOM 546 N LYS A 38 -8.470 -13.889 -1.492 1.00 0.00 N ATOM 547 CA LYS A 38 -9.487 -13.108 -0.733 1.00 0.00 C ATOM 548 C LYS A 38 -9.010 -11.663 -0.558 1.00 0.00 C ATOM 549 O LYS A 38 -9.479 -10.765 -1.227 1.00 0.00 O ATOM 550 CB LYS A 38 -9.707 -13.754 0.639 1.00 0.00 C ATOM 551 CG LYS A 38 -11.081 -13.355 1.180 1.00 0.00 C ATOM 552 CD LYS A 38 -11.414 -14.208 2.405 1.00 0.00 C ATOM 553 CE LYS A 38 -11.183 -13.389 3.676 1.00 0.00 C ATOM 554 NZ LYS A 38 -11.822 -14.079 4.832 1.00 0.00 N ATOM 0 H LYS A 38 -7.502 -13.602 -1.347 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.426 -13.105 -1.286 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.638 -14.839 0.557 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.927 -13.437 1.331 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.086 -12.298 1.447 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.841 -13.492 0.410 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.451 -14.541 2.358 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.792 -15.103 2.418 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.115 -13.269 3.855 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.601 -12.389 3.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.666 -13.524 5.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.843 -14.172 4.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.403 -15.024 4.947 1.00 0.00 H new ATOM 568 N ARG A 39 -8.086 -11.429 0.336 1.00 0.00 N ATOM 569 CA ARG A 39 -7.593 -10.046 0.554 1.00 0.00 C ATOM 570 C ARG A 39 -6.307 -9.822 -0.231 1.00 0.00 C ATOM 571 O ARG A 39 -5.235 -10.216 0.183 1.00 0.00 O ATOM 572 CB ARG A 39 -7.330 -9.830 2.046 1.00 0.00 C ATOM 573 CG ARG A 39 -7.753 -8.415 2.443 1.00 0.00 C ATOM 574 CD ARG A 39 -7.479 -8.200 3.931 1.00 0.00 C ATOM 575 NE ARG A 39 -8.168 -6.961 4.391 1.00 0.00 N ATOM 576 CZ ARG A 39 -8.272 -6.706 5.667 1.00 0.00 C ATOM 577 NH1 ARG A 39 -7.205 -6.691 6.417 1.00 0.00 N ATOM 578 NH2 ARG A 39 -9.442 -6.466 6.192 1.00 0.00 N ATOM 0 H ARG A 39 -7.653 -12.141 0.924 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.346 -9.337 0.210 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.883 -10.564 2.633 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.272 -9.979 2.264 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.206 -7.681 1.852 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.812 -8.268 2.232 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.831 -9.058 4.504 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.406 -8.118 4.106 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.559 -6.312 3.708 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.290 -6.878 6.006 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.285 -6.492 7.414 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.276 -6.478 5.605 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.522 -6.267 7.189 1.00 0.00 H new ATOM 592 N GLU A 40 -6.407 -9.175 -1.355 1.00 0.00 N ATOM 593 CA GLU A 40 -5.180 -8.907 -2.164 1.00 0.00 C ATOM 594 C GLU A 40 -4.684 -7.505 -1.829 1.00 0.00 C ATOM 595 O GLU A 40 -5.356 -6.532 -2.085 1.00 0.00 O ATOM 596 CB GLU A 40 -5.479 -8.988 -3.671 1.00 0.00 C ATOM 597 CG GLU A 40 -6.944 -9.356 -3.919 1.00 0.00 C ATOM 598 CD GLU A 40 -7.070 -10.054 -5.273 1.00 0.00 C ATOM 599 OE1 GLU A 40 -6.125 -9.988 -6.041 1.00 0.00 O ATOM 600 OE2 GLU A 40 -8.109 -10.643 -5.519 1.00 0.00 O ATOM 0 H GLU A 40 -7.278 -8.820 -1.750 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.426 -9.658 -1.926 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.256 -8.031 -4.142 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.830 -9.731 -4.135 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.306 -10.010 -3.125 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.564 -8.460 -3.901 1.00 0.00 H new ATOM 607 N ILE A 41 -3.522 -7.386 -1.251 1.00 0.00 N ATOM 608 CA ILE A 41 -3.015 -6.031 -0.901 1.00 0.00 C ATOM 609 C ILE A 41 -1.859 -5.648 -1.823 1.00 0.00 C ATOM 610 O ILE A 41 -1.120 -6.487 -2.301 1.00 0.00 O ATOM 611 CB ILE A 41 -2.527 -6.019 0.547 1.00 0.00 C ATOM 612 CG1 ILE A 41 -1.285 -6.905 0.672 1.00 0.00 C ATOM 613 CG2 ILE A 41 -3.629 -6.549 1.463 1.00 0.00 C ATOM 614 CD1 ILE A 41 -0.030 -6.044 0.524 1.00 0.00 C ATOM 0 H ILE A 41 -2.906 -8.161 -1.007 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.826 -5.313 -1.021 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.276 -4.999 0.838 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.281 -7.410 1.638 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.300 -7.681 -0.094 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.280 -6.540 2.495 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.512 -5.917 1.373 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.882 -7.569 1.175 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.856 -6.673 0.613 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.034 -5.559 -0.452 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.015 -5.285 1.306 1.00 0.00 H new ATOM 626 N ARG A 42 -1.696 -4.379 -2.064 1.00 0.00 N ATOM 627 CA ARG A 42 -0.591 -3.909 -2.940 1.00 0.00 C ATOM 628 C ARG A 42 -0.219 -2.490 -2.524 1.00 0.00 C ATOM 629 O ARG A 42 -1.068 -1.697 -2.182 1.00 0.00 O ATOM 630 CB ARG A 42 -1.053 -3.907 -4.394 1.00 0.00 C ATOM 631 CG ARG A 42 0.148 -4.122 -5.313 1.00 0.00 C ATOM 632 CD ARG A 42 0.555 -2.790 -5.946 1.00 0.00 C ATOM 633 NE ARG A 42 1.798 -2.978 -6.748 1.00 0.00 N ATOM 634 CZ ARG A 42 1.829 -3.861 -7.708 1.00 0.00 C ATOM 635 NH1 ARG A 42 1.404 -3.547 -8.904 1.00 0.00 N ATOM 636 NH2 ARG A 42 2.285 -5.060 -7.474 1.00 0.00 N ATOM 0 H ARG A 42 -2.288 -3.639 -1.687 1.00 0.00 H new ATOM 0 HA ARG A 42 0.270 -4.570 -2.842 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.791 -4.693 -4.553 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.540 -2.961 -4.630 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.982 -4.537 -4.747 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.101 -4.845 -6.090 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.248 -2.418 -6.582 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.720 -2.042 -5.170 1.00 0.00 H new ATOM 0 HE ARG A 42 2.625 -2.416 -6.546 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.047 -2.610 -9.089 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.430 -4.240 -9.652 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.617 -5.306 -6.541 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.310 -5.751 -8.223 1.00 0.00 H new ATOM 650 N ARG A 43 1.036 -2.160 -2.548 1.00 0.00 N ATOM 651 CA ARG A 43 1.438 -0.784 -2.140 1.00 0.00 C ATOM 652 C ARG A 43 2.268 -0.131 -3.239 1.00 0.00 C ATOM 653 O ARG A 43 2.918 -0.789 -4.025 1.00 0.00 O ATOM 654 CB ARG A 43 2.257 -0.835 -0.845 1.00 0.00 C ATOM 655 CG ARG A 43 3.252 -1.997 -0.893 1.00 0.00 C ATOM 656 CD ARG A 43 2.937 -2.974 0.239 1.00 0.00 C ATOM 657 NE ARG A 43 2.714 -2.210 1.499 1.00 0.00 N ATOM 658 CZ ARG A 43 2.306 -2.827 2.572 1.00 0.00 C ATOM 659 NH1 ARG A 43 1.172 -3.473 2.560 1.00 0.00 N ATOM 660 NH2 ARG A 43 3.030 -2.797 3.657 1.00 0.00 N ATOM 0 H ARG A 43 1.799 -2.775 -2.830 1.00 0.00 H new ATOM 0 HA ARG A 43 0.536 -0.195 -1.973 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.791 0.105 -0.707 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.591 -0.952 0.010 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.191 -2.505 -1.856 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.271 -1.623 -0.794 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.051 -3.560 -0.006 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.759 -3.678 0.367 1.00 0.00 H new ATOM 0 HE ARG A 43 2.881 -1.204 1.522 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.606 -3.495 1.712 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.852 -3.956 3.399 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.915 -2.291 3.665 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.711 -3.280 4.497 1.00 0.00 H new ATOM 674 N GLU A 44 2.246 1.171 -3.292 1.00 0.00 N ATOM 675 CA GLU A 44 3.024 1.895 -4.328 1.00 0.00 C ATOM 676 C GLU A 44 3.114 3.369 -3.938 1.00 0.00 C ATOM 677 O GLU A 44 2.342 3.859 -3.139 1.00 0.00 O ATOM 678 CB GLU A 44 2.320 1.766 -5.680 1.00 0.00 C ATOM 679 CG GLU A 44 3.072 0.757 -6.550 1.00 0.00 C ATOM 680 CD GLU A 44 2.314 0.545 -7.861 1.00 0.00 C ATOM 681 OE1 GLU A 44 1.590 1.445 -8.256 1.00 0.00 O ATOM 682 OE2 GLU A 44 2.468 -0.514 -8.447 1.00 0.00 O ATOM 0 H GLU A 44 1.717 1.767 -2.655 1.00 0.00 H new ATOM 0 HA GLU A 44 4.025 1.470 -4.403 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.289 1.442 -5.536 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.283 2.735 -6.177 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.080 1.118 -6.755 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.175 -0.190 -6.020 1.00 0.00 H new ATOM 689 N CYS A 45 4.046 4.080 -4.501 1.00 0.00 N ATOM 690 CA CYS A 45 4.185 5.525 -4.173 1.00 0.00 C ATOM 691 C CYS A 45 3.186 6.305 -5.023 1.00 0.00 C ATOM 692 O CYS A 45 3.247 6.293 -6.235 1.00 0.00 O ATOM 693 CB CYS A 45 5.620 5.982 -4.502 1.00 0.00 C ATOM 694 SG CYS A 45 6.112 7.369 -3.448 1.00 0.00 S ATOM 0 H CYS A 45 4.721 3.723 -5.177 1.00 0.00 H new ATOM 0 HA CYS A 45 3.990 5.699 -3.115 1.00 0.00 H new ATOM 0 HB2 CYS A 45 6.312 5.151 -4.363 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.681 6.276 -5.550 1.00 0.00 H new ATOM 699 N ALA A 46 2.262 6.975 -4.399 1.00 0.00 N ATOM 700 CA ALA A 46 1.257 7.744 -5.175 1.00 0.00 C ATOM 701 C ALA A 46 1.202 9.168 -4.649 1.00 0.00 C ATOM 702 O ALA A 46 1.525 9.427 -3.511 1.00 0.00 O ATOM 703 CB ALA A 46 -0.118 7.099 -5.014 1.00 0.00 C ATOM 0 H ALA A 46 2.160 7.023 -3.385 1.00 0.00 H new ATOM 0 HA ALA A 46 1.537 7.747 -6.228 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.854 7.665 -5.584 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.084 6.074 -5.382 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.398 7.098 -3.961 1.00 0.00 H new ATOM 709 N ALA A 47 0.771 10.089 -5.457 1.00 0.00 N ATOM 710 CA ALA A 47 0.666 11.495 -4.985 1.00 0.00 C ATOM 711 C ALA A 47 -0.722 11.686 -4.378 1.00 0.00 C ATOM 712 O ALA A 47 -1.183 12.792 -4.176 1.00 0.00 O ATOM 713 CB ALA A 47 0.848 12.454 -6.160 1.00 0.00 C ATOM 0 H ALA A 47 0.487 9.931 -6.424 1.00 0.00 H new ATOM 0 HA ALA A 47 1.439 11.702 -4.245 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.770 13.482 -5.806 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.829 12.298 -6.608 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.075 12.267 -6.905 1.00 0.00 H new ATOM 719 N THR A 48 -1.396 10.603 -4.103 1.00 0.00 N ATOM 720 CA THR A 48 -2.760 10.687 -3.526 1.00 0.00 C ATOM 721 C THR A 48 -2.707 10.520 -2.017 1.00 0.00 C ATOM 722 O THR A 48 -1.663 10.552 -1.396 1.00 0.00 O ATOM 723 CB THR A 48 -3.610 9.550 -4.081 1.00 0.00 C ATOM 724 OG1 THR A 48 -2.964 8.983 -5.214 1.00 0.00 O ATOM 725 CG2 THR A 48 -4.986 10.084 -4.482 1.00 0.00 C ATOM 0 H THR A 48 -1.053 9.655 -4.257 1.00 0.00 H new ATOM 0 HA THR A 48 -3.182 11.659 -3.782 1.00 0.00 H new ATOM 0 HB THR A 48 -3.734 8.783 -3.316 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.510 8.251 -5.570 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.591 9.269 -4.878 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.479 10.511 -3.609 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.869 10.854 -5.245 1.00 0.00 H new ATOM 733 N CYS A 49 -3.849 10.319 -1.440 1.00 0.00 N ATOM 734 CA CYS A 49 -3.945 10.116 0.020 1.00 0.00 C ATOM 735 C CYS A 49 -5.418 9.940 0.358 1.00 0.00 C ATOM 736 O CYS A 49 -5.992 10.739 1.070 1.00 0.00 O ATOM 737 CB CYS A 49 -3.370 11.335 0.737 1.00 0.00 C ATOM 738 SG CYS A 49 -3.703 11.218 2.508 1.00 0.00 S ATOM 0 H CYS A 49 -4.742 10.286 -1.933 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.382 9.238 0.337 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.296 11.397 0.563 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.811 12.247 0.334 1.00 0.00 H new ATOM 743 N PRO A 50 -6.000 8.907 -0.203 1.00 0.00 N ATOM 744 CA PRO A 50 -7.427 8.617 -0.016 1.00 0.00 C ATOM 745 C PRO A 50 -7.665 7.843 1.286 1.00 0.00 C ATOM 746 O PRO A 50 -7.034 6.832 1.523 1.00 0.00 O ATOM 747 CB PRO A 50 -7.768 7.737 -1.221 1.00 0.00 C ATOM 748 CG PRO A 50 -6.438 7.096 -1.692 1.00 0.00 C ATOM 749 CD PRO A 50 -5.296 7.926 -1.069 1.00 0.00 C ATOM 0 HA PRO A 50 -8.035 9.519 0.051 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.492 6.970 -0.948 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -8.216 8.329 -2.019 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -6.377 6.055 -1.374 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.370 7.101 -2.780 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -4.615 7.300 -0.492 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -4.700 8.424 -1.834 1.00 0.00 H new ATOM 757 N PRO A 51 -8.590 8.323 2.079 1.00 0.00 N ATOM 758 CA PRO A 51 -8.954 7.672 3.345 1.00 0.00 C ATOM 759 C PRO A 51 -9.855 6.495 3.022 1.00 0.00 C ATOM 760 O PRO A 51 -11.065 6.594 3.052 1.00 0.00 O ATOM 761 CB PRO A 51 -9.737 8.735 4.095 1.00 0.00 C ATOM 762 CG PRO A 51 -10.278 9.702 3.017 1.00 0.00 C ATOM 763 CD PRO A 51 -9.359 9.550 1.792 1.00 0.00 C ATOM 0 HA PRO A 51 -8.102 7.309 3.919 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -10.552 8.290 4.665 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.100 9.260 4.807 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.309 9.459 2.761 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.273 10.730 3.380 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.933 9.456 0.870 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.705 10.414 1.673 1.00 0.00 H new ATOM 771 N SER A 52 -9.279 5.396 2.669 1.00 0.00 N ATOM 772 CA SER A 52 -10.109 4.229 2.291 1.00 0.00 C ATOM 773 C SER A 52 -10.602 3.483 3.536 1.00 0.00 C ATOM 774 O SER A 52 -10.384 3.902 4.655 1.00 0.00 O ATOM 775 CB SER A 52 -9.291 3.282 1.427 1.00 0.00 C ATOM 776 OG SER A 52 -9.547 3.559 0.056 1.00 0.00 O ATOM 0 H SER A 52 -8.270 5.250 2.624 1.00 0.00 H new ATOM 0 HA SER A 52 -10.975 4.587 1.734 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.229 3.401 1.642 1.00 0.00 H new ATOM 0 HB3 SER A 52 -9.549 2.248 1.656 1.00 0.00 H new ATOM 0 HG SER A 52 -10.059 2.821 -0.337 1.00 0.00 H new ATOM 782 N LYS A 53 -11.266 2.371 3.339 1.00 0.00 N ATOM 783 CA LYS A 53 -11.778 1.580 4.496 1.00 0.00 C ATOM 784 C LYS A 53 -11.049 0.229 4.540 1.00 0.00 C ATOM 785 O LYS A 53 -9.839 0.180 4.473 1.00 0.00 O ATOM 786 CB LYS A 53 -13.283 1.368 4.330 1.00 0.00 C ATOM 787 CG LYS A 53 -13.962 2.725 4.137 1.00 0.00 C ATOM 788 CD LYS A 53 -15.479 2.537 4.089 1.00 0.00 C ATOM 789 CE LYS A 53 -16.156 3.892 3.880 1.00 0.00 C ATOM 790 NZ LYS A 53 -16.062 4.278 2.444 1.00 0.00 N ATOM 0 H LYS A 53 -11.475 1.977 2.422 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.596 2.113 5.429 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.480 0.724 3.473 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.691 0.865 5.207 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -13.694 3.396 4.953 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -13.614 3.190 3.215 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -15.746 1.857 3.280 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -15.829 2.083 5.016 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -17.201 3.839 4.186 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -15.679 4.649 4.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -16.595 5.157 2.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -15.065 4.427 2.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -16.461 3.520 1.854 1.00 0.00 H new ATOM 804 N LEU A 54 -11.753 -0.873 4.649 1.00 0.00 N ATOM 805 CA LEU A 54 -11.037 -2.183 4.690 1.00 0.00 C ATOM 806 C LEU A 54 -11.409 -3.039 3.475 1.00 0.00 C ATOM 807 O LEU A 54 -10.596 -3.792 2.977 1.00 0.00 O ATOM 808 CB LEU A 54 -11.370 -2.935 5.980 1.00 0.00 C ATOM 809 CG LEU A 54 -10.084 -3.180 6.790 1.00 0.00 C ATOM 810 CD1 LEU A 54 -8.926 -3.578 5.859 1.00 0.00 C ATOM 811 CD2 LEU A 54 -9.711 -1.901 7.542 1.00 0.00 C ATOM 0 H LEU A 54 -12.770 -0.921 4.710 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.965 -1.986 4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.080 -2.360 6.574 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.848 -3.886 5.744 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.262 -3.992 7.495 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.026 -3.747 6.450 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.186 -4.492 5.325 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.744 -2.778 5.142 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.801 -2.070 8.117 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.545 -1.094 6.828 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -10.521 -1.627 8.217 1.00 0.00 H new ATOM 823 N GLY A 55 -12.608 -2.919 2.960 1.00 0.00 N ATOM 824 CA GLY A 55 -12.953 -3.723 1.751 1.00 0.00 C ATOM 825 C GLY A 55 -11.926 -3.355 0.679 1.00 0.00 C ATOM 826 O GLY A 55 -11.665 -4.092 -0.251 1.00 0.00 O ATOM 0 H GLY A 55 -13.347 -2.313 3.316 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.919 -4.790 1.972 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -13.965 -3.500 1.412 1.00 0.00 H new ATOM 830 N LEU A 56 -11.326 -2.214 0.858 1.00 0.00 N ATOM 831 CA LEU A 56 -10.269 -1.712 -0.048 1.00 0.00 C ATOM 832 C LEU A 56 -9.638 -0.542 0.701 1.00 0.00 C ATOM 833 O LEU A 56 -10.099 0.577 0.622 1.00 0.00 O ATOM 834 CB LEU A 56 -10.865 -1.238 -1.372 1.00 0.00 C ATOM 835 CG LEU A 56 -9.761 -0.581 -2.195 1.00 0.00 C ATOM 836 CD1 LEU A 56 -8.679 -1.612 -2.516 1.00 0.00 C ATOM 837 CD2 LEU A 56 -10.346 -0.027 -3.495 1.00 0.00 C ATOM 0 H LEU A 56 -11.539 -1.584 1.632 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.544 -2.487 -0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.293 -2.079 -1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -11.674 -0.530 -1.191 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.323 0.236 -1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.891 -1.141 -3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.258 -1.998 -1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.116 -2.432 -3.085 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.554 0.441 -4.080 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.789 -0.840 -4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.112 0.713 -3.263 1.00 0.00 H new ATOM 849 N THR A 57 -8.635 -0.811 1.493 1.00 0.00 N ATOM 850 CA THR A 57 -8.030 0.267 2.324 1.00 0.00 C ATOM 851 C THR A 57 -6.921 1.007 1.583 1.00 0.00 C ATOM 852 O THR A 57 -6.412 0.565 0.576 1.00 0.00 O ATOM 853 CB THR A 57 -7.465 -0.345 3.622 1.00 0.00 C ATOM 854 OG1 THR A 57 -7.566 0.610 4.670 1.00 0.00 O ATOM 855 CG2 THR A 57 -5.991 -0.743 3.448 1.00 0.00 C ATOM 0 H THR A 57 -8.209 -1.732 1.600 1.00 0.00 H new ATOM 0 HA THR A 57 -8.812 0.990 2.554 1.00 0.00 H new ATOM 0 HB THR A 57 -8.041 -1.239 3.862 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.506 0.720 4.923 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.618 -1.172 4.378 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.905 -1.479 2.649 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.404 0.139 3.194 1.00 0.00 H new ATOM 863 N VAL A 58 -6.532 2.121 2.130 1.00 0.00 N ATOM 864 CA VAL A 58 -5.432 2.928 1.560 1.00 0.00 C ATOM 865 C VAL A 58 -4.684 3.532 2.729 1.00 0.00 C ATOM 866 O VAL A 58 -5.210 3.638 3.819 1.00 0.00 O ATOM 867 CB VAL A 58 -5.959 4.077 0.700 1.00 0.00 C ATOM 868 CG1 VAL A 58 -4.800 4.725 -0.043 1.00 0.00 C ATOM 869 CG2 VAL A 58 -6.982 3.561 -0.313 1.00 0.00 C ATOM 0 H VAL A 58 -6.947 2.514 2.975 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.807 2.292 0.934 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.441 4.808 1.349 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.174 5.544 -0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.077 5.111 0.676 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.318 3.985 -0.681 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.347 4.392 -0.917 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.512 2.821 -0.960 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.818 3.102 0.215 1.00 0.00 H new ATOM 879 N PHE A 59 -3.481 3.941 2.532 1.00 0.00 N ATOM 880 CA PHE A 59 -2.748 4.546 3.658 1.00 0.00 C ATOM 881 C PHE A 59 -1.681 5.489 3.119 1.00 0.00 C ATOM 882 O PHE A 59 -0.627 5.072 2.687 1.00 0.00 O ATOM 883 CB PHE A 59 -2.110 3.451 4.493 1.00 0.00 C ATOM 884 CG PHE A 59 -1.226 4.099 5.509 1.00 0.00 C ATOM 885 CD1 PHE A 59 0.100 4.368 5.188 1.00 0.00 C ATOM 886 CD2 PHE A 59 -1.739 4.438 6.762 1.00 0.00 C ATOM 887 CE1 PHE A 59 0.935 4.982 6.128 1.00 0.00 C ATOM 888 CE2 PHE A 59 -0.909 5.053 7.707 1.00 0.00 C ATOM 889 CZ PHE A 59 0.431 5.324 7.390 1.00 0.00 C ATOM 0 H PHE A 59 -2.973 3.885 1.649 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.437 5.112 4.285 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.876 2.850 4.983 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.533 2.777 3.860 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.485 4.103 4.214 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.771 4.227 7.001 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.965 5.192 5.882 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.299 5.318 8.678 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.074 5.796 8.118 1.00 0.00 H new ATOM 899 N CYS A 60 -1.958 6.760 3.141 1.00 0.00 N ATOM 900 CA CYS A 60 -0.971 7.751 2.619 1.00 0.00 C ATOM 901 C CYS A 60 -0.010 8.178 3.721 1.00 0.00 C ATOM 902 O CYS A 60 -0.355 8.232 4.884 1.00 0.00 O ATOM 903 CB CYS A 60 -1.674 9.001 2.073 1.00 0.00 C ATOM 904 SG CYS A 60 -3.225 9.311 2.960 1.00 0.00 S ATOM 0 H CYS A 60 -2.826 7.160 3.498 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.422 7.266 1.812 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.016 9.865 2.170 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.878 8.873 1.010 1.00 0.00 H new ATOM 909 N CYS A 61 1.197 8.496 3.350 1.00 0.00 N ATOM 910 CA CYS A 61 2.197 8.939 4.359 1.00 0.00 C ATOM 911 C CYS A 61 3.129 9.970 3.718 1.00 0.00 C ATOM 912 O CYS A 61 3.592 9.795 2.609 1.00 0.00 O ATOM 913 CB CYS A 61 3.008 7.735 4.839 1.00 0.00 C ATOM 914 SG CYS A 61 2.730 7.487 6.611 1.00 0.00 S ATOM 0 H CYS A 61 1.535 8.468 2.388 1.00 0.00 H new ATOM 0 HA CYS A 61 1.688 9.387 5.212 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.716 6.842 4.286 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.068 7.897 4.646 1.00 0.00 H new ATOM 919 N THR A 62 3.401 11.050 4.399 1.00 0.00 N ATOM 920 CA THR A 62 4.296 12.089 3.812 1.00 0.00 C ATOM 921 C THR A 62 5.615 12.130 4.584 1.00 0.00 C ATOM 922 O THR A 62 5.919 13.091 5.262 1.00 0.00 O ATOM 923 CB THR A 62 3.614 13.458 3.893 1.00 0.00 C ATOM 924 OG1 THR A 62 3.750 13.977 5.208 1.00 0.00 O ATOM 925 CG2 THR A 62 2.131 13.312 3.547 1.00 0.00 C ATOM 0 H THR A 62 3.044 11.258 5.332 1.00 0.00 H new ATOM 0 HA THR A 62 4.496 11.843 2.769 1.00 0.00 H new ATOM 0 HB THR A 62 4.083 14.141 3.185 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.666 14.299 5.339 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.646 14.287 3.605 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.030 12.916 2.536 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.658 12.629 4.253 1.00 0.00 H new ATOM 933 N THR A 63 6.406 11.097 4.480 1.00 0.00 N ATOM 934 CA THR A 63 7.709 11.082 5.202 1.00 0.00 C ATOM 935 C THR A 63 8.672 10.131 4.487 1.00 0.00 C ATOM 936 O THR A 63 8.464 9.768 3.346 1.00 0.00 O ATOM 937 CB THR A 63 7.487 10.615 6.646 1.00 0.00 C ATOM 938 OG1 THR A 63 8.614 10.974 7.434 1.00 0.00 O ATOM 939 CG2 THR A 63 7.298 9.097 6.683 1.00 0.00 C ATOM 0 H THR A 63 6.206 10.264 3.927 1.00 0.00 H new ATOM 0 HA THR A 63 8.136 12.085 5.213 1.00 0.00 H new ATOM 0 HB THR A 63 6.592 11.093 7.045 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.475 10.679 8.358 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.141 8.775 7.712 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.431 8.823 6.081 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.187 8.610 6.282 1.00 0.00 H new ATOM 947 N ASP A 64 9.726 9.724 5.141 1.00 0.00 N ATOM 948 CA ASP A 64 10.692 8.799 4.488 1.00 0.00 C ATOM 949 C ASP A 64 10.292 7.353 4.786 1.00 0.00 C ATOM 950 O ASP A 64 10.157 6.964 5.930 1.00 0.00 O ATOM 951 CB ASP A 64 12.101 9.063 5.027 1.00 0.00 C ATOM 952 CG ASP A 64 12.040 9.271 6.541 1.00 0.00 C ATOM 953 OD1 ASP A 64 11.167 8.688 7.164 1.00 0.00 O ATOM 954 OD2 ASP A 64 12.867 10.008 7.052 1.00 0.00 O ATOM 0 H ASP A 64 9.958 9.992 6.097 1.00 0.00 H new ATOM 0 HA ASP A 64 10.682 8.965 3.411 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.755 8.223 4.791 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.527 9.943 4.546 1.00 0.00 H new ATOM 959 N ASN A 65 10.106 6.554 3.766 1.00 0.00 N ATOM 960 CA ASN A 65 9.713 5.131 3.982 1.00 0.00 C ATOM 961 C ASN A 65 8.705 5.040 5.132 1.00 0.00 C ATOM 962 O ASN A 65 9.057 4.726 6.253 1.00 0.00 O ATOM 963 CB ASN A 65 10.954 4.299 4.328 1.00 0.00 C ATOM 964 CG ASN A 65 12.202 4.948 3.722 1.00 0.00 C ATOM 965 OD1 ASN A 65 12.188 5.377 2.585 1.00 0.00 O ATOM 966 ND2 ASN A 65 13.288 5.041 4.440 1.00 0.00 N ATOM 0 H ASN A 65 10.210 6.829 2.789 1.00 0.00 H new ATOM 0 HA ASN A 65 9.258 4.745 3.070 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.062 4.223 5.410 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.840 3.284 3.947 1.00 0.00 H new ATOM 0 HD21 ASN A 65 14.124 5.473 4.047 1.00 0.00 H new ATOM 0 HD22 ASN A 65 13.301 4.681 5.394 1.00 0.00 H new ATOM 973 N CYS A 66 7.456 5.312 4.869 1.00 0.00 N ATOM 974 CA CYS A 66 6.433 5.238 5.952 1.00 0.00 C ATOM 975 C CYS A 66 5.750 3.870 5.919 1.00 0.00 C ATOM 976 O CYS A 66 5.892 3.073 6.825 1.00 0.00 O ATOM 977 CB CYS A 66 5.385 6.333 5.743 1.00 0.00 C ATOM 978 SG CYS A 66 4.375 6.495 7.235 1.00 0.00 S ATOM 0 H CYS A 66 7.099 5.582 3.952 1.00 0.00 H new ATOM 0 HA CYS A 66 6.919 5.379 6.917 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.874 7.281 5.517 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.754 6.089 4.889 1.00 0.00 H new ATOM 983 N ASN A 67 5.008 3.593 4.882 1.00 0.00 N ATOM 984 CA ASN A 67 4.312 2.279 4.791 1.00 0.00 C ATOM 985 C ASN A 67 5.268 1.161 5.209 1.00 0.00 C ATOM 986 O ASN A 67 6.034 0.655 4.414 1.00 0.00 O ATOM 987 CB ASN A 67 3.855 2.042 3.349 1.00 0.00 C ATOM 988 CG ASN A 67 2.790 3.076 2.973 1.00 0.00 C ATOM 989 OD1 ASN A 67 2.519 3.989 3.727 1.00 0.00 O ATOM 990 ND2 ASN A 67 2.171 2.968 1.828 1.00 0.00 N ATOM 0 H ASN A 67 4.854 4.221 4.093 1.00 0.00 H new ATOM 0 HA ASN A 67 3.446 2.283 5.453 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.705 2.116 2.670 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.452 1.035 3.245 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.460 3.651 1.566 1.00 0.00 H new ATOM 0 HD22 ASN A 67 2.399 2.201 1.195 1.00 0.00 H new ATOM 997 N HIS A 68 5.230 0.769 6.454 1.00 0.00 N ATOM 998 CA HIS A 68 6.136 -0.314 6.922 1.00 0.00 C ATOM 999 C HIS A 68 5.753 -1.627 6.238 1.00 0.00 C ATOM 1000 O HIS A 68 5.718 -2.638 6.918 1.00 0.00 O ATOM 1001 CB HIS A 68 6.003 -0.471 8.438 1.00 0.00 C ATOM 1002 CG HIS A 68 6.097 0.879 9.093 1.00 0.00 C ATOM 1003 ND1 HIS A 68 4.973 1.632 9.398 1.00 0.00 N ATOM 1004 CD2 HIS A 68 7.172 1.625 9.509 1.00 0.00 C ATOM 1005 CE1 HIS A 68 5.394 2.775 9.970 1.00 0.00 C ATOM 1006 NE2 HIS A 68 6.727 2.821 10.063 1.00 0.00 N ATOM 1007 OXT HIS A 68 5.501 -1.599 5.044 1.00 0.00 O ATOM 0 H HIS A 68 4.609 1.154 7.166 1.00 0.00 H new ATOM 0 HA HIS A 68 7.166 -0.060 6.673 1.00 0.00 H new ATOM 0 HB2 HIS A 68 5.050 -0.940 8.683 1.00 0.00 H new ATOM 0 HB3 HIS A 68 6.788 -1.126 8.817 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.207 1.328 9.420 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.735 3.560 10.312 1.00 0.00 H new ATOM 0 HE2 HIS A 68 7.295 3.571 10.456 1.00 0.00 H new TER 1015 HIS A 68