USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 423 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 1 MET N :NH3+ -147:sc= 0.0419 (180deg=0) USER MOD Set 1.2: A 3 TYR OH : rot 121:sc= 0.229 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.541 K(o=-0.54,f=-4.5!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0248 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0879 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.177 K(o=-0.18,f=-0.95) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.115 K(o=-0.12,f=-1.5!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.233 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.046 -0.328 0.270 1.00 0.00 N ATOM 2 CA MET A 1 1.859 -0.530 -0.924 1.00 0.00 C ATOM 3 C MET A 1 3.344 -0.545 -0.575 1.00 0.00 C ATOM 4 O MET A 1 3.975 -1.601 -0.558 1.00 0.00 O ATOM 5 CB MET A 1 1.575 0.567 -1.951 1.00 0.00 C ATOM 6 CG MET A 1 0.475 0.208 -2.936 1.00 0.00 C ATOM 7 SD MET A 1 -0.186 1.649 -3.795 1.00 0.00 S ATOM 8 CE MET A 1 -1.214 0.863 -5.033 1.00 0.00 C ATOM 0 H1 MET A 1 0.148 -0.843 0.170 1.00 0.00 H new ATOM 0 H2 MET A 1 1.558 -0.683 1.103 1.00 0.00 H new ATOM 0 H3 MET A 1 0.851 0.687 0.390 1.00 0.00 H new ATOM 0 HA MET A 1 1.596 -1.497 -1.353 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.297 1.481 -1.426 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.490 0.782 -2.503 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.865 -0.499 -3.668 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.333 -0.296 -2.405 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.693 1.626 -5.646 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.598 0.224 -5.665 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.978 0.260 -4.542 1.00 0.00 H new ATOM 18 N GLN A 2 3.893 0.633 -0.297 1.00 0.00 N ATOM 19 CA GLN A 2 5.304 0.754 0.050 1.00 0.00 C ATOM 20 C GLN A 2 5.472 1.179 1.505 1.00 0.00 C ATOM 21 O GLN A 2 4.862 2.151 1.953 1.00 0.00 O ATOM 22 CB GLN A 2 5.994 1.762 -0.871 1.00 0.00 C ATOM 23 CG GLN A 2 5.169 3.013 -1.129 1.00 0.00 C ATOM 24 CD GLN A 2 5.954 4.090 -1.852 1.00 0.00 C ATOM 25 OE1 GLN A 2 7.175 4.002 -1.984 1.00 0.00 O ATOM 26 NE2 GLN A 2 5.255 5.115 -2.326 1.00 0.00 N ATOM 0 H GLN A 2 3.383 1.516 -0.305 1.00 0.00 H new ATOM 0 HA GLN A 2 5.769 -0.223 -0.080 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.948 2.050 -0.430 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.215 1.280 -1.823 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.292 2.750 -1.720 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.807 3.408 -0.179 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.244 5.147 -2.194 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.729 5.870 -2.822 1.00 0.00 H new ATOM 35 N TYR A 3 6.302 0.446 2.239 1.00 0.00 N ATOM 36 CA TYR A 3 6.548 0.746 3.644 1.00 0.00 C ATOM 37 C TYR A 3 8.004 1.143 3.870 1.00 0.00 C ATOM 38 O TYR A 3 8.875 0.846 3.053 1.00 0.00 O ATOM 39 CB TYR A 3 6.196 -0.462 4.514 1.00 0.00 C ATOM 40 CG TYR A 3 4.883 -1.113 4.144 1.00 0.00 C ATOM 41 CD1 TYR A 3 3.765 -0.345 3.840 1.00 0.00 C ATOM 42 CD2 TYR A 3 4.760 -2.496 4.096 1.00 0.00 C ATOM 43 CE1 TYR A 3 2.563 -0.936 3.501 1.00 0.00 C ATOM 44 CE2 TYR A 3 3.562 -3.095 3.757 1.00 0.00 C ATOM 45 CZ TYR A 3 2.467 -2.311 3.461 1.00 0.00 C ATOM 46 OH TYR A 3 1.271 -2.903 3.123 1.00 0.00 O ATOM 0 H TYR A 3 6.816 -0.360 1.884 1.00 0.00 H new ATOM 0 HA TYR A 3 5.914 1.586 3.926 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.993 -1.201 4.434 1.00 0.00 H new ATOM 0 HB3 TYR A 3 6.155 -0.148 5.557 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.837 0.732 3.869 1.00 0.00 H new ATOM 0 HD2 TYR A 3 5.615 -3.113 4.328 1.00 0.00 H new ATOM 0 HE1 TYR A 3 1.704 -0.325 3.269 1.00 0.00 H new ATOM 0 HE2 TYR A 3 3.484 -4.172 3.724 1.00 0.00 H new ATOM 0 HH TYR A 3 1.397 -3.467 2.331 1.00 0.00 H new ATOM 56 N LYS A 4 8.260 1.816 4.987 1.00 0.00 N ATOM 57 CA LYS A 4 9.610 2.253 5.325 1.00 0.00 C ATOM 58 C LYS A 4 10.047 1.680 6.669 1.00 0.00 C ATOM 59 O LYS A 4 9.246 1.570 7.599 1.00 0.00 O ATOM 60 CB LYS A 4 9.678 3.781 5.364 1.00 0.00 C ATOM 61 CG LYS A 4 10.939 4.317 6.020 1.00 0.00 C ATOM 62 CD LYS A 4 10.945 5.836 6.059 1.00 0.00 C ATOM 63 CE LYS A 4 11.180 6.428 4.677 1.00 0.00 C ATOM 64 NZ LYS A 4 10.082 7.350 4.275 1.00 0.00 N ATOM 0 H LYS A 4 7.550 2.071 5.674 1.00 0.00 H new ATOM 0 HA LYS A 4 10.288 1.884 4.555 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.617 4.165 4.346 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.809 4.161 5.901 1.00 0.00 H new ATOM 0 HG2 LYS A 4 11.017 3.926 7.034 1.00 0.00 H new ATOM 0 HG3 LYS A 4 11.813 3.963 5.474 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.994 6.195 6.453 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.723 6.181 6.741 1.00 0.00 H new ATOM 0 HE2 LYS A 4 12.128 6.966 4.669 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.264 5.623 3.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.279 7.732 3.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.181 6.831 4.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.018 8.132 4.958 1.00 0.00 H new ATOM 78 N LEU A 5 11.321 1.316 6.765 1.00 0.00 N ATOM 79 CA LEU A 5 11.865 0.755 7.997 1.00 0.00 C ATOM 80 C LEU A 5 13.126 1.500 8.424 1.00 0.00 C ATOM 81 O LEU A 5 13.919 1.930 7.586 1.00 0.00 O ATOM 82 CB LEU A 5 12.175 -0.731 7.810 1.00 0.00 C ATOM 83 CG LEU A 5 13.124 -1.353 8.836 1.00 0.00 C ATOM 84 CD1 LEU A 5 12.535 -1.257 10.235 1.00 0.00 C ATOM 85 CD2 LEU A 5 13.421 -2.802 8.478 1.00 0.00 C ATOM 0 H LEU A 5 11.996 1.399 6.005 1.00 0.00 H new ATOM 0 HA LEU A 5 11.116 0.868 8.781 1.00 0.00 H new ATOM 0 HB2 LEU A 5 11.236 -1.283 7.832 1.00 0.00 H new ATOM 0 HB3 LEU A 5 12.603 -0.870 6.817 1.00 0.00 H new ATOM 0 HG LEU A 5 14.061 -0.797 8.820 1.00 0.00 H new ATOM 0 HD11 LEU A 5 13.224 -1.705 10.951 1.00 0.00 H new ATOM 0 HD12 LEU A 5 12.375 -0.210 10.491 1.00 0.00 H new ATOM 0 HD13 LEU A 5 11.584 -1.788 10.266 1.00 0.00 H new ATOM 0 HD21 LEU A 5 14.098 -3.228 9.219 1.00 0.00 H new ATOM 0 HD22 LEU A 5 12.492 -3.371 8.465 1.00 0.00 H new ATOM 0 HD23 LEU A 5 13.887 -2.845 7.494 1.00 0.00 H new ATOM 97 N VAL A 6 13.306 1.647 9.733 1.00 0.00 N ATOM 98 CA VAL A 6 14.473 2.336 10.271 1.00 0.00 C ATOM 99 C VAL A 6 15.243 1.441 11.236 1.00 0.00 C ATOM 100 O VAL A 6 14.650 0.671 11.991 1.00 0.00 O ATOM 101 CB VAL A 6 14.072 3.632 11.000 1.00 0.00 C ATOM 102 CG1 VAL A 6 15.295 4.308 11.600 1.00 0.00 C ATOM 103 CG2 VAL A 6 13.345 4.573 10.051 1.00 0.00 C ATOM 0 H VAL A 6 12.659 1.298 10.440 1.00 0.00 H new ATOM 0 HA VAL A 6 15.112 2.586 9.424 1.00 0.00 H new ATOM 0 HB VAL A 6 13.393 3.376 11.813 1.00 0.00 H new ATOM 0 HG11 VAL A 6 14.992 5.222 12.111 1.00 0.00 H new ATOM 0 HG12 VAL A 6 15.770 3.634 12.313 1.00 0.00 H new ATOM 0 HG13 VAL A 6 16.001 4.553 10.807 1.00 0.00 H new ATOM 0 HG21 VAL A 6 13.069 5.484 10.582 1.00 0.00 H new ATOM 0 HG22 VAL A 6 13.999 4.824 9.216 1.00 0.00 H new ATOM 0 HG23 VAL A 6 12.446 4.086 9.674 1.00 0.00 H new ATOM 113 N ILE A 7 16.567 1.549 11.204 1.00 0.00 N ATOM 114 CA ILE A 7 17.419 0.751 12.077 1.00 0.00 C ATOM 115 C ILE A 7 18.135 1.628 13.099 1.00 0.00 C ATOM 116 O ILE A 7 19.216 2.151 12.833 1.00 0.00 O ATOM 117 CB ILE A 7 18.467 -0.040 11.271 1.00 0.00 C ATOM 118 CG1 ILE A 7 17.778 -0.978 10.279 1.00 0.00 C ATOM 119 CG2 ILE A 7 19.374 -0.824 12.208 1.00 0.00 C ATOM 120 CD1 ILE A 7 18.630 -1.316 9.075 1.00 0.00 C ATOM 0 H ILE A 7 17.073 2.181 10.583 1.00 0.00 H new ATOM 0 HA ILE A 7 16.768 0.049 12.598 1.00 0.00 H new ATOM 0 HB ILE A 7 19.080 0.665 10.709 1.00 0.00 H new ATOM 0 HG12 ILE A 7 17.506 -1.900 10.792 1.00 0.00 H new ATOM 0 HG13 ILE A 7 16.850 -0.517 9.940 1.00 0.00 H new ATOM 0 HG21 ILE A 7 20.109 -1.378 11.624 1.00 0.00 H new ATOM 0 HG22 ILE A 7 19.888 -0.135 12.878 1.00 0.00 H new ATOM 0 HG23 ILE A 7 18.776 -1.522 12.794 1.00 0.00 H new ATOM 0 HD11 ILE A 7 18.078 -1.985 8.415 1.00 0.00 H new ATOM 0 HD12 ILE A 7 18.880 -0.401 8.538 1.00 0.00 H new ATOM 0 HD13 ILE A 7 19.546 -1.806 9.404 1.00 0.00 H new ATOM 132 N ASN A 8 17.524 1.781 14.269 1.00 0.00 N ATOM 133 CA ASN A 8 18.104 2.594 15.332 1.00 0.00 C ATOM 134 C ASN A 8 18.904 1.730 16.303 1.00 0.00 C ATOM 135 O ASN A 8 18.595 1.665 17.492 1.00 0.00 O ATOM 136 CB ASN A 8 17.004 3.344 16.087 1.00 0.00 C ATOM 137 CG ASN A 8 16.347 4.415 15.238 1.00 0.00 C ATOM 138 OD1 ASN A 8 15.135 4.397 15.025 1.00 0.00 O ATOM 139 ND2 ASN A 8 17.147 5.355 14.748 1.00 0.00 N ATOM 0 H ASN A 8 16.629 1.353 14.505 1.00 0.00 H new ATOM 0 HA ASN A 8 18.780 3.317 14.875 1.00 0.00 H new ATOM 0 HB2 ASN A 8 16.247 2.634 16.421 1.00 0.00 H new ATOM 0 HB3 ASN A 8 17.428 3.802 16.981 1.00 0.00 H new ATOM 0 HD21 ASN A 8 16.762 6.102 14.169 1.00 0.00 H new ATOM 0 HD22 ASN A 8 18.146 5.330 14.950 1.00 0.00 H new ATOM 146 N GLY A 9 19.936 1.069 15.786 1.00 0.00 N ATOM 147 CA GLY A 9 20.765 0.218 16.620 1.00 0.00 C ATOM 148 C GLY A 9 21.942 0.963 17.217 1.00 0.00 C ATOM 149 O GLY A 9 22.000 2.192 17.168 1.00 0.00 O ATOM 0 H GLY A 9 20.212 1.108 14.805 1.00 0.00 H new ATOM 0 HA2 GLY A 9 20.158 -0.201 17.423 1.00 0.00 H new ATOM 0 HA3 GLY A 9 21.132 -0.620 16.028 1.00 0.00 H new ATOM 153 N LYS A 10 22.885 0.218 17.784 1.00 0.00 N ATOM 154 CA LYS A 10 24.068 0.813 18.394 1.00 0.00 C ATOM 155 C LYS A 10 25.163 1.034 17.356 1.00 0.00 C ATOM 156 O LYS A 10 25.820 2.076 17.343 1.00 0.00 O ATOM 157 CB LYS A 10 24.591 -0.081 19.520 1.00 0.00 C ATOM 158 CG LYS A 10 25.756 0.523 20.285 1.00 0.00 C ATOM 159 CD LYS A 10 25.367 0.866 21.713 1.00 0.00 C ATOM 160 CE LYS A 10 26.469 1.640 22.420 1.00 0.00 C ATOM 161 NZ LYS A 10 26.172 3.099 22.478 1.00 0.00 N ATOM 0 H LYS A 10 22.853 -0.800 17.834 1.00 0.00 H new ATOM 0 HA LYS A 10 23.784 1.780 18.808 1.00 0.00 H new ATOM 0 HB2 LYS A 10 23.778 -0.287 20.216 1.00 0.00 H new ATOM 0 HB3 LYS A 10 24.901 -1.038 19.099 1.00 0.00 H new ATOM 0 HG2 LYS A 10 26.590 -0.178 20.293 1.00 0.00 H new ATOM 0 HG3 LYS A 10 26.100 1.422 19.775 1.00 0.00 H new ATOM 0 HD2 LYS A 10 24.451 1.456 21.710 1.00 0.00 H new ATOM 0 HD3 LYS A 10 25.154 -0.050 22.263 1.00 0.00 H new ATOM 0 HE2 LYS A 10 26.592 1.254 23.432 1.00 0.00 H new ATOM 0 HE3 LYS A 10 27.414 1.482 21.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 26.946 3.592 22.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 26.079 3.473 21.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 25.283 3.252 22.995 1.00 0.00 H new ATOM 175 N THR A 11 25.354 0.049 16.484 1.00 0.00 N ATOM 176 CA THR A 11 26.368 0.136 15.442 1.00 0.00 C ATOM 177 C THR A 11 25.740 0.067 14.055 1.00 0.00 C ATOM 178 O THR A 11 26.373 -0.376 13.096 1.00 0.00 O ATOM 179 CB THR A 11 27.411 -0.990 15.577 1.00 0.00 C ATOM 180 OG1 THR A 11 27.302 -1.606 16.865 1.00 0.00 O ATOM 181 CG2 THR A 11 28.820 -0.449 15.385 1.00 0.00 C ATOM 0 H THR A 11 24.819 -0.819 16.479 1.00 0.00 H new ATOM 0 HA THR A 11 26.865 1.098 15.565 1.00 0.00 H new ATOM 0 HB THR A 11 27.216 -1.731 14.802 1.00 0.00 H new ATOM 0 HG1 THR A 11 27.967 -2.322 16.943 1.00 0.00 H new ATOM 0 HG21 THR A 11 29.539 -1.262 15.485 1.00 0.00 H new ATOM 0 HG22 THR A 11 28.908 -0.007 14.393 1.00 0.00 H new ATOM 0 HG23 THR A 11 29.024 0.310 16.140 1.00 0.00 H new ATOM 189 N LEU A 12 24.490 0.507 13.954 1.00 0.00 N ATOM 190 CA LEU A 12 23.775 0.496 12.683 1.00 0.00 C ATOM 191 C LEU A 12 22.744 1.619 12.628 1.00 0.00 C ATOM 192 O LEU A 12 21.913 1.757 13.526 1.00 0.00 O ATOM 193 CB LEU A 12 23.087 -0.854 12.474 1.00 0.00 C ATOM 194 CG LEU A 12 23.192 -1.452 11.071 1.00 0.00 C ATOM 195 CD1 LEU A 12 24.650 -1.604 10.664 1.00 0.00 C ATOM 196 CD2 LEU A 12 22.476 -2.792 11.006 1.00 0.00 C ATOM 0 H LEU A 12 23.951 0.876 14.738 1.00 0.00 H new ATOM 0 HA LEU A 12 24.500 0.655 11.885 1.00 0.00 H new ATOM 0 HB2 LEU A 12 23.508 -1.567 13.183 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.031 -0.743 12.722 1.00 0.00 H new ATOM 0 HG LEU A 12 22.709 -0.771 10.370 1.00 0.00 H new ATOM 0 HD11 LEU A 12 24.706 -2.031 9.663 1.00 0.00 H new ATOM 0 HD12 LEU A 12 25.133 -0.627 10.669 1.00 0.00 H new ATOM 0 HD13 LEU A 12 25.158 -2.263 11.368 1.00 0.00 H new ATOM 0 HD21 LEU A 12 22.562 -3.202 10.000 1.00 0.00 H new ATOM 0 HD22 LEU A 12 22.929 -3.481 11.718 1.00 0.00 H new ATOM 0 HD23 LEU A 12 21.423 -2.654 11.253 1.00 0.00 H new ATOM 208 N LYS A 13 22.803 2.417 11.568 1.00 0.00 N ATOM 209 CA LYS A 13 21.873 3.527 11.393 1.00 0.00 C ATOM 210 C LYS A 13 21.513 3.708 9.922 1.00 0.00 C ATOM 211 O LYS A 13 22.286 4.274 9.149 1.00 0.00 O ATOM 212 CB LYS A 13 22.479 4.819 11.944 1.00 0.00 C ATOM 213 CG LYS A 13 22.411 4.925 13.458 1.00 0.00 C ATOM 214 CD LYS A 13 23.745 4.582 14.101 1.00 0.00 C ATOM 215 CE LYS A 13 23.867 5.191 15.489 1.00 0.00 C ATOM 216 NZ LYS A 13 24.792 6.357 15.504 1.00 0.00 N ATOM 0 H LYS A 13 23.485 2.316 10.816 1.00 0.00 H new ATOM 0 HA LYS A 13 20.962 3.296 11.946 1.00 0.00 H new ATOM 0 HB2 LYS A 13 23.521 4.885 11.630 1.00 0.00 H new ATOM 0 HB3 LYS A 13 21.959 5.671 11.505 1.00 0.00 H new ATOM 0 HG2 LYS A 13 22.119 5.937 13.740 1.00 0.00 H new ATOM 0 HG3 LYS A 13 21.640 4.254 13.837 1.00 0.00 H new ATOM 0 HD2 LYS A 13 23.851 3.499 14.167 1.00 0.00 H new ATOM 0 HD3 LYS A 13 24.558 4.944 13.471 1.00 0.00 H new ATOM 0 HE2 LYS A 13 22.882 5.504 15.836 1.00 0.00 H new ATOM 0 HE3 LYS A 13 24.225 4.434 16.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 24.848 6.744 16.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 25.738 6.053 15.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 24.437 7.090 14.857 1.00 0.00 H new ATOM 230 N GLY A 14 20.334 3.225 9.541 1.00 0.00 N ATOM 231 CA GLY A 14 19.893 3.345 8.164 1.00 0.00 C ATOM 232 C GLY A 14 18.406 3.096 8.007 1.00 0.00 C ATOM 233 O GLY A 14 17.694 2.915 8.994 1.00 0.00 O ATOM 0 H GLY A 14 19.677 2.753 10.162 1.00 0.00 H new ATOM 0 HA2 GLY A 14 20.132 4.342 7.795 1.00 0.00 H new ATOM 0 HA3 GLY A 14 20.444 2.636 7.546 1.00 0.00 H new ATOM 237 N GLU A 15 17.936 3.088 6.764 1.00 0.00 N ATOM 238 CA GLU A 15 16.524 2.861 6.483 1.00 0.00 C ATOM 239 C GLU A 15 16.346 2.061 5.196 1.00 0.00 C ATOM 240 O GLU A 15 17.212 2.071 4.320 1.00 0.00 O ATOM 241 CB GLU A 15 15.782 4.195 6.373 1.00 0.00 C ATOM 242 CG GLU A 15 16.246 5.234 7.380 1.00 0.00 C ATOM 243 CD GLU A 15 15.504 6.550 7.245 1.00 0.00 C ATOM 244 OE1 GLU A 15 15.140 6.912 6.107 1.00 0.00 O ATOM 245 OE2 GLU A 15 15.287 7.216 8.279 1.00 0.00 O ATOM 0 H GLU A 15 18.513 3.236 5.936 1.00 0.00 H new ATOM 0 HA GLU A 15 16.104 2.286 7.309 1.00 0.00 H new ATOM 0 HB2 GLU A 15 15.914 4.592 5.367 1.00 0.00 H new ATOM 0 HB3 GLU A 15 14.715 4.020 6.510 1.00 0.00 H new ATOM 0 HG2 GLU A 15 16.107 4.845 8.388 1.00 0.00 H new ATOM 0 HG3 GLU A 15 17.314 5.409 7.250 1.00 0.00 H new ATOM 252 N THR A 16 15.218 1.366 5.089 1.00 0.00 N ATOM 253 CA THR A 16 14.926 0.559 3.911 1.00 0.00 C ATOM 254 C THR A 16 13.443 0.609 3.563 1.00 0.00 C ATOM 255 O THR A 16 12.657 1.270 4.242 1.00 0.00 O ATOM 256 CB THR A 16 15.344 -0.909 4.119 1.00 0.00 C ATOM 257 OG1 THR A 16 15.307 -1.611 2.871 1.00 0.00 O ATOM 258 CG2 THR A 16 14.426 -1.596 5.120 1.00 0.00 C ATOM 0 H THR A 16 14.491 1.346 5.804 1.00 0.00 H new ATOM 0 HA THR A 16 15.503 0.981 3.088 1.00 0.00 H new ATOM 0 HB THR A 16 16.360 -0.922 4.513 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.576 -2.543 3.012 1.00 0.00 H new ATOM 0 HG21 THR A 16 14.740 -2.631 5.251 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.478 -1.077 6.077 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.401 -1.572 4.750 1.00 0.00 H new ATOM 266 N THR A 17 13.065 -0.095 2.501 1.00 0.00 N ATOM 267 CA THR A 17 11.675 -0.131 2.063 1.00 0.00 C ATOM 268 C THR A 17 11.287 -1.523 1.578 1.00 0.00 C ATOM 269 O THR A 17 12.143 -2.387 1.388 1.00 0.00 O ATOM 270 CB THR A 17 11.416 0.884 0.933 1.00 0.00 C ATOM 271 OG1 THR A 17 12.586 1.017 0.117 1.00 0.00 O ATOM 272 CG2 THR A 17 11.032 2.241 1.502 1.00 0.00 C ATOM 0 H THR A 17 13.702 -0.648 1.928 1.00 0.00 H new ATOM 0 HA THR A 17 11.065 0.133 2.927 1.00 0.00 H new ATOM 0 HB THR A 17 10.589 0.515 0.326 1.00 0.00 H new ATOM 0 HG1 THR A 17 12.413 1.662 -0.600 1.00 0.00 H new ATOM 0 HG21 THR A 17 10.854 2.941 0.685 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.125 2.142 2.099 1.00 0.00 H new ATOM 0 HG23 THR A 17 11.841 2.614 2.130 1.00 0.00 H new ATOM 280 N THR A 18 9.989 -1.735 1.380 1.00 0.00 N ATOM 281 CA THR A 18 9.487 -3.023 0.918 1.00 0.00 C ATOM 282 C THR A 18 8.137 -2.871 0.227 1.00 0.00 C ATOM 283 O THR A 18 7.631 -1.760 0.067 1.00 0.00 O ATOM 284 CB THR A 18 9.345 -4.021 2.083 1.00 0.00 C ATOM 285 OG1 THR A 18 9.181 -5.349 1.573 1.00 0.00 O ATOM 286 CG2 THR A 18 8.158 -3.660 2.963 1.00 0.00 C ATOM 0 H THR A 18 9.267 -1.031 1.533 1.00 0.00 H new ATOM 0 HA THR A 18 10.216 -3.409 0.205 1.00 0.00 H new ATOM 0 HB THR A 18 10.252 -3.973 2.686 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.093 -5.978 2.320 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.078 -4.379 3.779 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.300 -2.660 3.373 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.244 -3.682 2.369 1.00 0.00 H new ATOM 294 N LYS A 19 7.557 -3.994 -0.183 1.00 0.00 N ATOM 295 CA LYS A 19 6.264 -3.987 -0.856 1.00 0.00 C ATOM 296 C LYS A 19 5.465 -5.240 -0.512 1.00 0.00 C ATOM 297 O LYS A 19 5.749 -6.326 -1.015 1.00 0.00 O ATOM 298 CB LYS A 19 6.455 -3.890 -2.371 1.00 0.00 C ATOM 299 CG LYS A 19 6.528 -2.463 -2.886 1.00 0.00 C ATOM 300 CD LYS A 19 6.707 -2.423 -4.394 1.00 0.00 C ATOM 301 CE LYS A 19 7.997 -3.106 -4.821 1.00 0.00 C ATOM 302 NZ LYS A 19 8.783 -2.266 -5.766 1.00 0.00 N ATOM 0 H LYS A 19 7.963 -4.922 -0.061 1.00 0.00 H new ATOM 0 HA LYS A 19 5.707 -3.116 -0.510 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.370 -4.414 -2.647 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.631 -4.404 -2.866 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.618 -1.930 -2.612 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.358 -1.944 -2.406 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.859 -2.911 -4.875 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.713 -1.387 -4.733 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.601 -3.324 -3.940 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.764 -4.061 -5.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.655 -2.767 -6.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.216 -2.079 -6.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.028 -1.365 -5.308 1.00 0.00 H new ATOM 316 N ALA A 20 4.462 -5.080 0.346 1.00 0.00 N ATOM 317 CA ALA A 20 3.620 -6.198 0.753 1.00 0.00 C ATOM 318 C ALA A 20 2.142 -5.847 0.623 1.00 0.00 C ATOM 319 O ALA A 20 1.771 -4.673 0.605 1.00 0.00 O ATOM 320 CB ALA A 20 3.943 -6.609 2.182 1.00 0.00 C ATOM 0 H ALA A 20 4.213 -4.187 0.772 1.00 0.00 H new ATOM 0 HA ALA A 20 3.827 -7.038 0.089 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.307 -7.445 2.473 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.989 -6.909 2.247 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.765 -5.768 2.852 1.00 0.00 H new ATOM 326 N VAL A 21 1.301 -6.872 0.533 1.00 0.00 N ATOM 327 CA VAL A 21 -0.138 -6.672 0.405 1.00 0.00 C ATOM 328 C VAL A 21 -0.800 -6.554 1.773 1.00 0.00 C ATOM 329 O VAL A 21 -2.026 -6.529 1.881 1.00 0.00 O ATOM 330 CB VAL A 21 -0.798 -7.824 -0.375 1.00 0.00 C ATOM 331 CG1 VAL A 21 -0.819 -9.093 0.463 1.00 0.00 C ATOM 332 CG2 VAL A 21 -2.204 -7.438 -0.808 1.00 0.00 C ATOM 0 H VAL A 21 1.591 -7.850 0.546 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.280 -5.742 -0.146 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.208 -8.018 -1.270 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.289 -9.896 -0.105 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.202 -9.378 0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.385 -8.916 1.378 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.655 -8.264 -1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.807 -7.215 0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.158 -6.558 -1.449 1.00 0.00 H new ATOM 342 N ASP A 22 0.019 -6.482 2.816 1.00 0.00 N ATOM 343 CA ASP A 22 -0.487 -6.365 4.179 1.00 0.00 C ATOM 344 C ASP A 22 0.660 -6.201 5.172 1.00 0.00 C ATOM 345 O ASP A 22 1.728 -6.787 5.003 1.00 0.00 O ATOM 346 CB ASP A 22 -1.322 -7.594 4.543 1.00 0.00 C ATOM 347 CG ASP A 22 -1.820 -7.552 5.974 1.00 0.00 C ATOM 348 OD1 ASP A 22 -2.098 -6.442 6.473 1.00 0.00 O ATOM 349 OD2 ASP A 22 -1.931 -8.630 6.596 1.00 0.00 O ATOM 0 H ASP A 22 1.036 -6.503 2.744 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.119 -5.478 4.231 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.174 -7.664 3.867 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.723 -8.493 4.396 1.00 0.00 H new ATOM 354 N ALA A 23 0.429 -5.400 6.207 1.00 0.00 N ATOM 355 CA ALA A 23 1.442 -5.160 7.228 1.00 0.00 C ATOM 356 C ALA A 23 2.047 -6.470 7.720 1.00 0.00 C ATOM 357 O ALA A 23 3.236 -6.538 8.026 1.00 0.00 O ATOM 358 CB ALA A 23 0.845 -4.381 8.391 1.00 0.00 C ATOM 0 H ALA A 23 -0.450 -4.906 6.361 1.00 0.00 H new ATOM 0 HA ALA A 23 2.240 -4.568 6.781 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.612 -4.209 9.146 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.468 -3.423 8.032 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.027 -4.952 8.829 1.00 0.00 H new ATOM 364 N GLU A 24 1.219 -7.507 7.795 1.00 0.00 N ATOM 365 CA GLU A 24 1.673 -8.815 8.252 1.00 0.00 C ATOM 366 C GLU A 24 2.645 -9.434 7.252 1.00 0.00 C ATOM 367 O GLU A 24 3.694 -9.957 7.629 1.00 0.00 O ATOM 368 CB GLU A 24 0.480 -9.749 8.464 1.00 0.00 C ATOM 369 CG GLU A 24 0.873 -11.201 8.679 1.00 0.00 C ATOM 370 CD GLU A 24 -0.327 -12.112 8.846 1.00 0.00 C ATOM 371 OE1 GLU A 24 -0.861 -12.191 9.971 1.00 0.00 O ATOM 372 OE2 GLU A 24 -0.732 -12.747 7.849 1.00 0.00 O ATOM 0 H GLU A 24 0.231 -7.467 7.545 1.00 0.00 H new ATOM 0 HA GLU A 24 2.192 -8.679 9.201 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.091 -9.405 9.326 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.179 -9.684 7.598 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.468 -11.542 7.831 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.506 -11.275 9.563 1.00 0.00 H new ATOM 379 N THR A 25 2.289 -9.371 5.972 1.00 0.00 N ATOM 380 CA THR A 25 3.127 -9.925 4.917 1.00 0.00 C ATOM 381 C THR A 25 4.466 -9.200 4.840 1.00 0.00 C ATOM 382 O THR A 25 5.494 -9.806 4.540 1.00 0.00 O ATOM 383 CB THR A 25 2.432 -9.842 3.545 1.00 0.00 C ATOM 384 OG1 THR A 25 1.255 -10.658 3.542 1.00 0.00 O ATOM 385 CG2 THR A 25 3.370 -10.292 2.435 1.00 0.00 C ATOM 0 H THR A 25 1.425 -8.941 5.642 1.00 0.00 H new ATOM 0 HA THR A 25 3.298 -10.972 5.167 1.00 0.00 H new ATOM 0 HB THR A 25 2.154 -8.803 3.365 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.818 -10.598 2.667 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.857 -10.225 1.476 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.251 -9.651 2.421 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.675 -11.323 2.612 1.00 0.00 H new ATOM 393 N ALA A 26 4.446 -7.900 5.114 1.00 0.00 N ATOM 394 CA ALA A 26 5.660 -7.093 5.079 1.00 0.00 C ATOM 395 C ALA A 26 6.492 -7.298 6.340 1.00 0.00 C ATOM 396 O ALA A 26 7.719 -7.209 6.305 1.00 0.00 O ATOM 397 CB ALA A 26 5.310 -5.622 4.908 1.00 0.00 C ATOM 0 H ALA A 26 3.603 -7.383 5.363 1.00 0.00 H new ATOM 0 HA ALA A 26 6.257 -7.415 4.226 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.225 -5.031 4.883 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.764 -5.484 3.975 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.690 -5.296 5.743 1.00 0.00 H new ATOM 403 N GLU A 27 5.817 -7.573 7.451 1.00 0.00 N ATOM 404 CA GLU A 27 6.497 -7.789 8.723 1.00 0.00 C ATOM 405 C GLU A 27 7.620 -8.811 8.573 1.00 0.00 C ATOM 406 O GLU A 27 8.780 -8.524 8.872 1.00 0.00 O ATOM 407 CB GLU A 27 5.501 -8.262 9.785 1.00 0.00 C ATOM 408 CG GLU A 27 6.077 -8.290 11.190 1.00 0.00 C ATOM 409 CD GLU A 27 5.008 -8.428 12.257 1.00 0.00 C ATOM 410 OE1 GLU A 27 3.813 -8.312 11.916 1.00 0.00 O ATOM 411 OE2 GLU A 27 5.367 -8.652 13.432 1.00 0.00 O ATOM 0 H GLU A 27 4.801 -7.652 7.497 1.00 0.00 H new ATOM 0 HA GLU A 27 6.932 -6.841 9.039 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.630 -7.607 9.772 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.152 -9.261 9.524 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.778 -9.120 11.274 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.643 -7.375 11.365 1.00 0.00 H new ATOM 418 N LYS A 28 7.268 -10.005 8.109 1.00 0.00 N ATOM 419 CA LYS A 28 8.244 -11.071 7.918 1.00 0.00 C ATOM 420 C LYS A 28 9.430 -10.581 7.093 1.00 0.00 C ATOM 421 O LYS A 28 10.585 -10.791 7.462 1.00 0.00 O ATOM 422 CB LYS A 28 7.591 -12.271 7.230 1.00 0.00 C ATOM 423 CG LYS A 28 8.585 -13.327 6.777 1.00 0.00 C ATOM 424 CD LYS A 28 7.892 -14.473 6.058 1.00 0.00 C ATOM 425 CE LYS A 28 8.176 -14.445 4.564 1.00 0.00 C ATOM 426 NZ LYS A 28 8.139 -15.808 3.967 1.00 0.00 N ATOM 0 H LYS A 28 6.313 -10.259 7.858 1.00 0.00 H new ATOM 0 HA LYS A 28 8.608 -11.377 8.899 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.876 -12.727 7.915 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.026 -11.921 6.366 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.322 -12.874 6.115 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.127 -13.713 7.641 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.227 -15.422 6.476 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.817 -14.413 6.226 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.442 -13.811 4.067 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.155 -13.998 4.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.337 -15.746 2.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.856 -16.407 4.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.197 -16.225 4.112 1.00 0.00 H new ATOM 440 N ALA A 29 9.136 -9.925 5.975 1.00 0.00 N ATOM 441 CA ALA A 29 10.178 -9.402 5.100 1.00 0.00 C ATOM 442 C ALA A 29 11.052 -8.390 5.831 1.00 0.00 C ATOM 443 O ALA A 29 12.271 -8.368 5.659 1.00 0.00 O ATOM 444 CB ALA A 29 9.559 -8.771 3.861 1.00 0.00 C ATOM 0 H ALA A 29 8.185 -9.743 5.654 1.00 0.00 H new ATOM 0 HA ALA A 29 10.811 -10.234 4.793 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.348 -8.385 3.216 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.983 -9.522 3.319 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.901 -7.954 4.159 1.00 0.00 H new ATOM 450 N PHE A 30 10.423 -7.552 6.648 1.00 0.00 N ATOM 451 CA PHE A 30 11.144 -6.535 7.405 1.00 0.00 C ATOM 452 C PHE A 30 11.976 -7.171 8.514 1.00 0.00 C ATOM 453 O PHE A 30 13.039 -6.666 8.877 1.00 0.00 O ATOM 454 CB PHE A 30 10.164 -5.523 8.003 1.00 0.00 C ATOM 455 CG PHE A 30 9.903 -4.343 7.112 1.00 0.00 C ATOM 456 CD1 PHE A 30 10.952 -3.669 6.508 1.00 0.00 C ATOM 457 CD2 PHE A 30 8.609 -3.907 6.878 1.00 0.00 C ATOM 458 CE1 PHE A 30 10.715 -2.582 5.688 1.00 0.00 C ATOM 459 CE2 PHE A 30 8.365 -2.820 6.059 1.00 0.00 C ATOM 460 CZ PHE A 30 9.420 -2.157 5.463 1.00 0.00 C ATOM 0 H PHE A 30 9.415 -7.557 6.803 1.00 0.00 H new ATOM 0 HA PHE A 30 11.817 -6.018 6.721 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.220 -6.025 8.214 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.557 -5.169 8.956 1.00 0.00 H new ATOM 0 HD1 PHE A 30 11.967 -3.997 6.680 1.00 0.00 H new ATOM 0 HD2 PHE A 30 7.781 -4.423 7.341 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.542 -2.065 5.223 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.351 -2.490 5.886 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.233 -1.308 4.822 1.00 0.00 H new ATOM 470 N LYS A 31 11.485 -8.283 9.051 1.00 0.00 N ATOM 471 CA LYS A 31 12.181 -8.991 10.118 1.00 0.00 C ATOM 472 C LYS A 31 13.354 -9.794 9.564 1.00 0.00 C ATOM 473 O LYS A 31 14.438 -9.808 10.147 1.00 0.00 O ATOM 474 CB LYS A 31 11.216 -9.921 10.856 1.00 0.00 C ATOM 475 CG LYS A 31 10.074 -9.191 11.544 1.00 0.00 C ATOM 476 CD LYS A 31 10.123 -9.373 13.051 1.00 0.00 C ATOM 477 CE LYS A 31 8.982 -10.249 13.544 1.00 0.00 C ATOM 478 NZ LYS A 31 9.135 -10.602 14.983 1.00 0.00 N ATOM 0 H LYS A 31 10.606 -8.714 8.764 1.00 0.00 H new ATOM 0 HA LYS A 31 12.569 -8.251 10.818 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.803 -10.639 10.147 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.772 -10.492 11.600 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.122 -8.129 11.303 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.122 -9.561 11.163 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.076 -9.821 13.334 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.072 -8.399 13.538 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.035 -9.729 13.396 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.941 -11.161 12.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.338 -11.200 15.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.026 -11.120 15.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.148 -9.733 15.554 1.00 0.00 H new ATOM 492 N GLN A 32 13.129 -10.459 8.436 1.00 0.00 N ATOM 493 CA GLN A 32 14.168 -11.264 7.804 1.00 0.00 C ATOM 494 C GLN A 32 15.449 -10.456 7.626 1.00 0.00 C ATOM 495 O GLN A 32 16.519 -10.862 8.079 1.00 0.00 O ATOM 496 CB GLN A 32 13.686 -11.784 6.449 1.00 0.00 C ATOM 497 CG GLN A 32 14.780 -12.447 5.628 1.00 0.00 C ATOM 498 CD GLN A 32 14.397 -13.838 5.161 1.00 0.00 C ATOM 499 OE1 GLN A 32 13.676 -14.560 5.850 1.00 0.00 O ATOM 500 NE2 GLN A 32 14.879 -14.222 3.985 1.00 0.00 N ATOM 0 H GLN A 32 12.237 -10.457 7.941 1.00 0.00 H new ATOM 0 HA GLN A 32 14.382 -12.112 8.455 1.00 0.00 H new ATOM 0 HB2 GLN A 32 12.880 -12.500 6.610 1.00 0.00 H new ATOM 0 HB3 GLN A 32 13.267 -10.955 5.879 1.00 0.00 H new ATOM 0 HG2 GLN A 32 15.005 -11.826 4.761 1.00 0.00 H new ATOM 0 HG3 GLN A 32 15.691 -12.506 6.224 1.00 0.00 H new ATOM 0 HE21 GLN A 32 15.473 -13.591 3.447 1.00 0.00 H new ATOM 0 HE22 GLN A 32 14.655 -15.148 3.620 1.00 0.00 H new ATOM 509 N TYR A 33 15.332 -9.311 6.962 1.00 0.00 N ATOM 510 CA TYR A 33 16.482 -8.447 6.721 1.00 0.00 C ATOM 511 C TYR A 33 17.229 -8.160 8.020 1.00 0.00 C ATOM 512 O TYR A 33 18.443 -7.957 8.019 1.00 0.00 O ATOM 513 CB TYR A 33 16.034 -7.134 6.077 1.00 0.00 C ATOM 514 CG TYR A 33 17.131 -6.098 5.987 1.00 0.00 C ATOM 515 CD1 TYR A 33 17.354 -5.201 7.024 1.00 0.00 C ATOM 516 CD2 TYR A 33 17.946 -6.018 4.864 1.00 0.00 C ATOM 517 CE1 TYR A 33 18.355 -4.252 6.945 1.00 0.00 C ATOM 518 CE2 TYR A 33 18.951 -5.073 4.778 1.00 0.00 C ATOM 519 CZ TYR A 33 19.151 -4.193 5.820 1.00 0.00 C ATOM 520 OH TYR A 33 20.150 -3.250 5.739 1.00 0.00 O ATOM 0 H TYR A 33 14.453 -8.960 6.581 1.00 0.00 H new ATOM 0 HA TYR A 33 17.158 -8.966 6.041 1.00 0.00 H new ATOM 0 HB2 TYR A 33 15.658 -7.340 5.075 1.00 0.00 H new ATOM 0 HB3 TYR A 33 15.204 -6.723 6.651 1.00 0.00 H new ATOM 0 HD1 TYR A 33 16.734 -5.246 7.907 1.00 0.00 H new ATOM 0 HD2 TYR A 33 17.792 -6.705 4.045 1.00 0.00 H new ATOM 0 HE1 TYR A 33 18.513 -3.560 7.759 1.00 0.00 H new ATOM 0 HE2 TYR A 33 19.576 -5.024 3.899 1.00 0.00 H new ATOM 0 HH TYR A 33 20.619 -3.343 4.884 1.00 0.00 H new ATOM 530 N ALA A 34 16.494 -8.145 9.127 1.00 0.00 N ATOM 531 CA ALA A 34 17.086 -7.885 10.434 1.00 0.00 C ATOM 532 C ALA A 34 18.091 -8.970 10.806 1.00 0.00 C ATOM 533 O ALA A 34 19.245 -8.679 11.118 1.00 0.00 O ATOM 534 CB ALA A 34 16.000 -7.783 11.494 1.00 0.00 C ATOM 0 H ALA A 34 15.488 -8.310 9.145 1.00 0.00 H new ATOM 0 HA ALA A 34 17.618 -6.935 10.383 1.00 0.00 H new ATOM 0 HB1 ALA A 34 16.456 -7.589 12.465 1.00 0.00 H new ATOM 0 HB2 ALA A 34 15.321 -6.968 11.242 1.00 0.00 H new ATOM 0 HB3 ALA A 34 15.443 -8.719 11.536 1.00 0.00 H new ATOM 540 N ASN A 35 17.644 -10.221 10.772 1.00 0.00 N ATOM 541 CA ASN A 35 18.506 -11.349 11.108 1.00 0.00 C ATOM 542 C ASN A 35 19.773 -11.338 10.258 1.00 0.00 C ATOM 543 O ASN A 35 20.861 -11.648 10.744 1.00 0.00 O ATOM 544 CB ASN A 35 17.755 -12.668 10.907 1.00 0.00 C ATOM 545 CG ASN A 35 17.277 -13.266 12.215 1.00 0.00 C ATOM 546 OD1 ASN A 35 17.209 -12.581 13.236 1.00 0.00 O ATOM 547 ND2 ASN A 35 16.944 -14.552 12.191 1.00 0.00 N ATOM 0 H ASN A 35 16.691 -10.479 10.516 1.00 0.00 H new ATOM 0 HA ASN A 35 18.792 -11.257 12.156 1.00 0.00 H new ATOM 0 HB2 ASN A 35 16.899 -12.500 10.253 1.00 0.00 H new ATOM 0 HB3 ASN A 35 18.407 -13.381 10.402 1.00 0.00 H new ATOM 0 HD21 ASN A 35 16.616 -15.010 13.041 1.00 0.00 H new ATOM 0 HD22 ASN A 35 17.016 -15.081 11.322 1.00 0.00 H new ATOM 554 N ASP A 36 19.624 -10.978 8.988 1.00 0.00 N ATOM 555 CA ASP A 36 20.756 -10.924 8.071 1.00 0.00 C ATOM 556 C ASP A 36 21.920 -10.156 8.689 1.00 0.00 C ATOM 557 O ASP A 36 23.078 -10.550 8.554 1.00 0.00 O ATOM 558 CB ASP A 36 20.341 -10.271 6.752 1.00 0.00 C ATOM 559 CG ASP A 36 19.259 -11.053 6.034 1.00 0.00 C ATOM 560 OD1 ASP A 36 18.860 -12.121 6.545 1.00 0.00 O ATOM 561 OD2 ASP A 36 18.810 -10.597 4.962 1.00 0.00 O ATOM 0 H ASP A 36 18.730 -10.719 8.570 1.00 0.00 H new ATOM 0 HA ASP A 36 21.082 -11.946 7.875 1.00 0.00 H new ATOM 0 HB2 ASP A 36 19.985 -9.259 6.947 1.00 0.00 H new ATOM 0 HB3 ASP A 36 21.213 -10.183 6.103 1.00 0.00 H new ATOM 566 N ASN A 37 21.604 -9.057 9.366 1.00 0.00 N ATOM 567 CA ASN A 37 22.624 -8.232 10.004 1.00 0.00 C ATOM 568 C ASN A 37 22.571 -8.378 11.522 1.00 0.00 C ATOM 569 O ASN A 37 23.021 -7.500 12.256 1.00 0.00 O ATOM 570 CB ASN A 37 22.439 -6.764 9.615 1.00 0.00 C ATOM 571 CG ASN A 37 22.805 -6.500 8.167 1.00 0.00 C ATOM 572 OD1 ASN A 37 23.963 -6.232 7.847 1.00 0.00 O ATOM 573 ND2 ASN A 37 21.816 -6.573 7.284 1.00 0.00 N ATOM 0 H ASN A 37 20.650 -8.717 9.487 1.00 0.00 H new ATOM 0 HA ASN A 37 23.600 -8.573 9.658 1.00 0.00 H new ATOM 0 HB2 ASN A 37 21.402 -6.474 9.784 1.00 0.00 H new ATOM 0 HB3 ASN A 37 23.054 -6.139 10.262 1.00 0.00 H new ATOM 0 HD21 ASN A 37 22.001 -6.404 6.295 1.00 0.00 H new ATOM 0 HD22 ASN A 37 20.871 -6.798 7.594 1.00 0.00 H new ATOM 580 N GLY A 38 22.017 -9.495 11.985 1.00 0.00 N ATOM 581 CA GLY A 38 21.916 -9.736 13.412 1.00 0.00 C ATOM 582 C GLY A 38 21.314 -8.561 14.157 1.00 0.00 C ATOM 583 O GLY A 38 21.731 -8.244 15.272 1.00 0.00 O ATOM 0 H GLY A 38 21.637 -10.237 11.397 1.00 0.00 H new ATOM 0 HA2 GLY A 38 21.307 -10.623 13.585 1.00 0.00 H new ATOM 0 HA3 GLY A 38 22.907 -9.947 13.813 1.00 0.00 H new ATOM 587 N VAL A 39 20.332 -7.911 13.541 1.00 0.00 N ATOM 588 CA VAL A 39 19.672 -6.764 14.152 1.00 0.00 C ATOM 589 C VAL A 39 18.377 -7.178 14.842 1.00 0.00 C ATOM 590 O VAL A 39 17.409 -7.564 14.188 1.00 0.00 O ATOM 591 CB VAL A 39 19.359 -5.675 13.109 1.00 0.00 C ATOM 592 CG1 VAL A 39 18.815 -4.427 13.787 1.00 0.00 C ATOM 593 CG2 VAL A 39 20.600 -5.349 12.292 1.00 0.00 C ATOM 0 H VAL A 39 19.976 -8.160 12.618 1.00 0.00 H new ATOM 0 HA VAL A 39 20.362 -6.360 14.893 1.00 0.00 H new ATOM 0 HB VAL A 39 18.594 -6.054 12.431 1.00 0.00 H new ATOM 0 HG11 VAL A 39 18.600 -3.669 13.034 1.00 0.00 H new ATOM 0 HG12 VAL A 39 17.900 -4.675 14.325 1.00 0.00 H new ATOM 0 HG13 VAL A 39 19.555 -4.042 14.488 1.00 0.00 H new ATOM 0 HG21 VAL A 39 20.361 -4.578 11.560 1.00 0.00 H new ATOM 0 HG22 VAL A 39 21.387 -4.989 12.954 1.00 0.00 H new ATOM 0 HG23 VAL A 39 20.942 -6.246 11.776 1.00 0.00 H new ATOM 603 N ASP A 40 18.367 -7.095 16.168 1.00 0.00 N ATOM 604 CA ASP A 40 17.190 -7.459 16.948 1.00 0.00 C ATOM 605 C ASP A 40 16.765 -6.312 17.859 1.00 0.00 C ATOM 606 O ASP A 40 17.602 -5.566 18.367 1.00 0.00 O ATOM 607 CB ASP A 40 17.472 -8.711 17.781 1.00 0.00 C ATOM 608 CG ASP A 40 16.205 -9.452 18.160 1.00 0.00 C ATOM 609 OD1 ASP A 40 15.438 -8.927 18.994 1.00 0.00 O ATOM 610 OD2 ASP A 40 15.980 -10.556 17.623 1.00 0.00 O ATOM 0 H ASP A 40 19.161 -6.779 16.725 1.00 0.00 H new ATOM 0 HA ASP A 40 16.375 -7.669 16.255 1.00 0.00 H new ATOM 0 HB2 ASP A 40 18.125 -9.378 17.219 1.00 0.00 H new ATOM 0 HB3 ASP A 40 18.009 -8.428 18.687 1.00 0.00 H new ATOM 615 N GLY A 41 15.458 -6.176 18.060 1.00 0.00 N ATOM 616 CA GLY A 41 14.944 -5.116 18.909 1.00 0.00 C ATOM 617 C GLY A 41 13.436 -5.170 19.054 1.00 0.00 C ATOM 618 O GLY A 41 12.829 -6.231 18.914 1.00 0.00 O ATOM 0 H GLY A 41 14.746 -6.780 17.650 1.00 0.00 H new ATOM 0 HA2 GLY A 41 15.404 -5.189 19.895 1.00 0.00 H new ATOM 0 HA3 GLY A 41 15.232 -4.150 18.494 1.00 0.00 H new ATOM 622 N VAL A 42 12.830 -4.021 19.338 1.00 0.00 N ATOM 623 CA VAL A 42 11.383 -3.941 19.504 1.00 0.00 C ATOM 624 C VAL A 42 10.704 -3.522 18.205 1.00 0.00 C ATOM 625 O VAL A 42 10.960 -2.438 17.681 1.00 0.00 O ATOM 626 CB VAL A 42 11.000 -2.946 20.615 1.00 0.00 C ATOM 627 CG1 VAL A 42 9.488 -2.840 20.739 1.00 0.00 C ATOM 628 CG2 VAL A 42 11.623 -3.361 21.940 1.00 0.00 C ATOM 0 H VAL A 42 13.318 -3.133 19.458 1.00 0.00 H new ATOM 0 HA VAL A 42 11.041 -4.937 19.785 1.00 0.00 H new ATOM 0 HB VAL A 42 11.389 -1.963 20.348 1.00 0.00 H new ATOM 0 HG11 VAL A 42 9.236 -2.132 21.529 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.069 -2.493 19.794 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.073 -3.818 20.983 1.00 0.00 H new ATOM 0 HG21 VAL A 42 11.342 -2.647 22.714 1.00 0.00 H new ATOM 0 HG22 VAL A 42 11.266 -4.353 22.215 1.00 0.00 H new ATOM 0 HG23 VAL A 42 12.708 -3.381 21.841 1.00 0.00 H new ATOM 638 N TRP A 43 9.837 -4.388 17.692 1.00 0.00 N ATOM 639 CA TRP A 43 9.119 -4.107 16.454 1.00 0.00 C ATOM 640 C TRP A 43 7.816 -3.367 16.735 1.00 0.00 C ATOM 641 O TRP A 43 6.944 -3.872 17.442 1.00 0.00 O ATOM 642 CB TRP A 43 8.830 -5.407 15.702 1.00 0.00 C ATOM 643 CG TRP A 43 10.067 -6.104 15.222 1.00 0.00 C ATOM 644 CD1 TRP A 43 10.653 -7.206 15.775 1.00 0.00 C ATOM 645 CD2 TRP A 43 10.869 -5.744 14.092 1.00 0.00 C ATOM 646 NE1 TRP A 43 11.773 -7.553 15.057 1.00 0.00 N ATOM 647 CE2 TRP A 43 11.926 -6.673 14.019 1.00 0.00 C ATOM 648 CE3 TRP A 43 10.797 -4.730 13.134 1.00 0.00 C ATOM 649 CZ2 TRP A 43 12.901 -6.614 13.027 1.00 0.00 C ATOM 650 CZ3 TRP A 43 11.766 -4.673 12.150 1.00 0.00 C ATOM 651 CH2 TRP A 43 12.806 -5.610 12.102 1.00 0.00 C ATOM 0 H TRP A 43 9.614 -5.290 18.114 1.00 0.00 H new ATOM 0 HA TRP A 43 9.750 -3.469 15.835 1.00 0.00 H new ATOM 0 HB2 TRP A 43 8.273 -6.079 16.354 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.190 -5.189 14.847 1.00 0.00 H new ATOM 0 HD1 TRP A 43 10.290 -7.728 16.648 1.00 0.00 H new ATOM 0 HE1 TRP A 43 12.390 -8.339 15.264 1.00 0.00 H new ATOM 0 HE3 TRP A 43 9.998 -4.003 13.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 13.704 -7.335 12.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 11.720 -3.892 11.405 1.00 0.00 H new ATOM 0 HH2 TRP A 43 13.547 -5.539 11.320 1.00 0.00 H new ATOM 662 N THR A 44 7.690 -2.167 16.178 1.00 0.00 N ATOM 663 CA THR A 44 6.493 -1.357 16.370 1.00 0.00 C ATOM 664 C THR A 44 6.027 -0.744 15.055 1.00 0.00 C ATOM 665 O THR A 44 6.841 -0.332 14.228 1.00 0.00 O ATOM 666 CB THR A 44 6.736 -0.230 17.391 1.00 0.00 C ATOM 667 OG1 THR A 44 7.977 0.428 17.110 1.00 0.00 O ATOM 668 CG2 THR A 44 6.758 -0.779 18.809 1.00 0.00 C ATOM 0 H THR A 44 8.402 -1.734 15.590 1.00 0.00 H new ATOM 0 HA THR A 44 5.719 -2.023 16.752 1.00 0.00 H new ATOM 0 HB THR A 44 5.919 0.486 17.308 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.123 1.144 17.763 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.931 0.036 19.512 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.802 -1.252 19.031 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.557 -1.514 18.902 1.00 0.00 H new ATOM 676 N TYR A 45 4.713 -0.686 14.867 1.00 0.00 N ATOM 677 CA TYR A 45 4.139 -0.124 13.651 1.00 0.00 C ATOM 678 C TYR A 45 2.675 0.250 13.862 1.00 0.00 C ATOM 679 O TYR A 45 1.946 -0.433 14.581 1.00 0.00 O ATOM 680 CB TYR A 45 4.261 -1.120 12.497 1.00 0.00 C ATOM 681 CG TYR A 45 3.031 -1.978 12.304 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.723 -2.996 13.199 1.00 0.00 C ATOM 683 CD2 TYR A 45 2.176 -1.770 11.229 1.00 0.00 C ATOM 684 CE1 TYR A 45 1.601 -3.783 13.026 1.00 0.00 C ATOM 685 CE2 TYR A 45 1.051 -2.551 11.050 1.00 0.00 C ATOM 686 CZ TYR A 45 0.768 -3.556 11.951 1.00 0.00 C ATOM 687 OH TYR A 45 -0.352 -4.337 11.776 1.00 0.00 O ATOM 0 H TYR A 45 4.026 -1.022 15.542 1.00 0.00 H new ATOM 0 HA TYR A 45 4.694 0.780 13.402 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.460 -0.573 11.576 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.120 -1.767 12.676 1.00 0.00 H new ATOM 0 HD1 TYR A 45 3.372 -3.175 14.044 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.395 -0.984 10.521 1.00 0.00 H new ATOM 0 HE1 TYR A 45 1.377 -4.572 13.729 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.396 -2.376 10.209 1.00 0.00 H new ATOM 0 HH TYR A 45 -0.831 -4.046 10.972 1.00 0.00 H new ATOM 697 N ASP A 46 2.252 1.339 13.229 1.00 0.00 N ATOM 698 CA ASP A 46 0.875 1.804 13.345 1.00 0.00 C ATOM 699 C ASP A 46 0.129 1.626 12.026 1.00 0.00 C ATOM 700 O ASP A 46 0.566 2.112 10.983 1.00 0.00 O ATOM 701 CB ASP A 46 0.845 3.274 13.768 1.00 0.00 C ATOM 702 CG ASP A 46 -0.490 3.932 13.478 1.00 0.00 C ATOM 703 OD1 ASP A 46 -1.533 3.295 13.733 1.00 0.00 O ATOM 704 OD2 ASP A 46 -0.491 5.084 12.996 1.00 0.00 O ATOM 0 H ASP A 46 2.843 1.916 12.630 1.00 0.00 H new ATOM 0 HA ASP A 46 0.377 1.204 14.107 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.059 3.347 14.834 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.635 3.815 13.247 1.00 0.00 H new ATOM 709 N ASP A 47 -0.999 0.925 12.081 1.00 0.00 N ATOM 710 CA ASP A 47 -1.807 0.683 10.891 1.00 0.00 C ATOM 711 C ASP A 47 -1.987 1.965 10.086 1.00 0.00 C ATOM 712 O ASP A 47 -1.825 1.972 8.866 1.00 0.00 O ATOM 713 CB ASP A 47 -3.172 0.115 11.283 1.00 0.00 C ATOM 714 CG ASP A 47 -4.222 0.344 10.213 1.00 0.00 C ATOM 715 OD1 ASP A 47 -4.188 -0.368 9.188 1.00 0.00 O ATOM 716 OD2 ASP A 47 -5.077 1.235 10.401 1.00 0.00 O ATOM 0 H ASP A 47 -1.374 0.515 12.936 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.285 -0.044 10.269 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.077 -0.954 11.472 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.500 0.576 12.215 1.00 0.00 H new ATOM 721 N ALA A 48 -2.324 3.049 10.776 1.00 0.00 N ATOM 722 CA ALA A 48 -2.526 4.338 10.126 1.00 0.00 C ATOM 723 C ALA A 48 -1.330 4.705 9.253 1.00 0.00 C ATOM 724 O ALA A 48 -1.491 5.190 8.133 1.00 0.00 O ATOM 725 CB ALA A 48 -2.775 5.421 11.165 1.00 0.00 C ATOM 0 H ALA A 48 -2.463 3.060 11.786 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.403 4.259 9.483 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.924 6.378 10.665 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.664 5.172 11.744 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.915 5.490 11.832 1.00 0.00 H new ATOM 731 N THR A 49 -0.130 4.472 9.773 1.00 0.00 N ATOM 732 CA THR A 49 1.093 4.779 9.043 1.00 0.00 C ATOM 733 C THR A 49 1.786 3.507 8.569 1.00 0.00 C ATOM 734 O THR A 49 1.246 2.408 8.699 1.00 0.00 O ATOM 735 CB THR A 49 2.075 5.593 9.907 1.00 0.00 C ATOM 736 OG1 THR A 49 3.147 6.088 9.097 1.00 0.00 O ATOM 737 CG2 THR A 49 2.636 4.741 11.035 1.00 0.00 C ATOM 0 H THR A 49 0.021 4.071 10.699 1.00 0.00 H new ATOM 0 HA THR A 49 0.802 5.375 8.178 1.00 0.00 H new ATOM 0 HB THR A 49 1.532 6.432 10.342 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.766 6.606 9.654 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.327 5.337 11.632 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.820 4.391 11.667 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.164 3.884 10.616 1.00 0.00 H new ATOM 745 N LYS A 50 2.985 3.661 8.018 1.00 0.00 N ATOM 746 CA LYS A 50 3.754 2.524 7.526 1.00 0.00 C ATOM 747 C LYS A 50 5.239 2.700 7.828 1.00 0.00 C ATOM 748 O LYS A 50 6.093 2.387 6.998 1.00 0.00 O ATOM 749 CB LYS A 50 3.546 2.355 6.020 1.00 0.00 C ATOM 750 CG LYS A 50 2.101 2.091 5.631 1.00 0.00 C ATOM 751 CD LYS A 50 1.521 3.242 4.826 1.00 0.00 C ATOM 752 CE LYS A 50 0.871 4.281 5.727 1.00 0.00 C ATOM 753 NZ LYS A 50 -0.027 5.192 4.966 1.00 0.00 N ATOM 0 H LYS A 50 3.446 4.563 7.901 1.00 0.00 H new ATOM 0 HA LYS A 50 3.400 1.629 8.038 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.892 3.254 5.511 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.165 1.530 5.666 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.042 1.172 5.048 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.504 1.937 6.530 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.311 3.711 4.239 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.784 2.859 4.120 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.301 3.778 6.508 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.645 4.866 6.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.450 5.885 5.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.522 5.691 4.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.781 4.637 4.513 1.00 0.00 H new ATOM 767 N THR A 51 5.540 3.200 9.023 1.00 0.00 N ATOM 768 CA THR A 51 6.921 3.417 9.434 1.00 0.00 C ATOM 769 C THR A 51 7.328 2.438 10.530 1.00 0.00 C ATOM 770 O THR A 51 6.852 2.525 11.662 1.00 0.00 O ATOM 771 CB THR A 51 7.138 4.855 9.940 1.00 0.00 C ATOM 772 OG1 THR A 51 8.453 4.989 10.490 1.00 0.00 O ATOM 773 CG2 THR A 51 6.103 5.220 10.994 1.00 0.00 C ATOM 0 H THR A 51 4.846 3.462 9.723 1.00 0.00 H new ATOM 0 HA THR A 51 7.542 3.253 8.554 1.00 0.00 H new ATOM 0 HB THR A 51 7.028 5.534 9.094 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.583 5.907 10.808 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.277 6.240 11.336 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.104 5.147 10.564 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.186 4.535 11.838 1.00 0.00 H new ATOM 781 N PHE A 52 8.213 1.507 10.187 1.00 0.00 N ATOM 782 CA PHE A 52 8.684 0.511 11.143 1.00 0.00 C ATOM 783 C PHE A 52 10.059 0.888 11.687 1.00 0.00 C ATOM 784 O PHE A 52 10.897 1.432 10.967 1.00 0.00 O ATOM 785 CB PHE A 52 8.743 -0.869 10.485 1.00 0.00 C ATOM 786 CG PHE A 52 7.390 -1.464 10.217 1.00 0.00 C ATOM 787 CD1 PHE A 52 6.513 -0.854 9.334 1.00 0.00 C ATOM 788 CD2 PHE A 52 6.996 -2.633 10.847 1.00 0.00 C ATOM 789 CE1 PHE A 52 5.268 -1.399 9.085 1.00 0.00 C ATOM 790 CE2 PHE A 52 5.752 -3.183 10.601 1.00 0.00 C ATOM 791 CZ PHE A 52 4.886 -2.564 9.720 1.00 0.00 C ATOM 0 H PHE A 52 8.618 1.422 9.255 1.00 0.00 H new ATOM 0 HA PHE A 52 7.980 0.479 11.975 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.290 -0.791 9.545 1.00 0.00 H new ATOM 0 HB3 PHE A 52 9.308 -1.545 11.127 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.806 0.058 8.835 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.668 -3.120 11.538 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.594 -0.914 8.394 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.457 -4.096 11.097 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.912 -2.991 9.529 1.00 0.00 H new ATOM 801 N THR A 53 10.284 0.594 12.964 1.00 0.00 N ATOM 802 CA THR A 53 11.555 0.903 13.606 1.00 0.00 C ATOM 803 C THR A 53 12.003 -0.237 14.514 1.00 0.00 C ATOM 804 O THR A 53 11.180 -0.913 15.131 1.00 0.00 O ATOM 805 CB THR A 53 11.466 2.198 14.434 1.00 0.00 C ATOM 806 OG1 THR A 53 10.887 3.245 13.647 1.00 0.00 O ATOM 807 CG2 THR A 53 12.843 2.625 14.920 1.00 0.00 C ATOM 0 H THR A 53 9.602 0.142 13.574 1.00 0.00 H new ATOM 0 HA THR A 53 12.287 1.039 12.810 1.00 0.00 H new ATOM 0 HB THR A 53 10.835 2.005 15.302 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.833 4.064 14.182 1.00 0.00 H new ATOM 0 HG21 THR A 53 12.755 3.542 15.503 1.00 0.00 H new ATOM 0 HG22 THR A 53 13.269 1.839 15.543 1.00 0.00 H new ATOM 0 HG23 THR A 53 13.493 2.801 14.063 1.00 0.00 H new ATOM 815 N VAL A 54 13.314 -0.446 14.591 1.00 0.00 N ATOM 816 CA VAL A 54 13.872 -1.504 15.425 1.00 0.00 C ATOM 817 C VAL A 54 14.986 -0.969 16.318 1.00 0.00 C ATOM 818 O VAL A 54 16.000 -0.468 15.832 1.00 0.00 O ATOM 819 CB VAL A 54 14.424 -2.660 14.571 1.00 0.00 C ATOM 820 CG1 VAL A 54 15.421 -2.139 13.547 1.00 0.00 C ATOM 821 CG2 VAL A 54 15.060 -3.720 15.457 1.00 0.00 C ATOM 0 H VAL A 54 14.009 0.104 14.086 1.00 0.00 H new ATOM 0 HA VAL A 54 13.059 -1.879 16.047 1.00 0.00 H new ATOM 0 HB VAL A 54 13.595 -3.120 14.033 1.00 0.00 H new ATOM 0 HG11 VAL A 54 15.800 -2.970 12.953 1.00 0.00 H new ATOM 0 HG12 VAL A 54 14.928 -1.420 12.892 1.00 0.00 H new ATOM 0 HG13 VAL A 54 16.250 -1.653 14.061 1.00 0.00 H new ATOM 0 HG21 VAL A 54 15.445 -4.530 14.837 1.00 0.00 H new ATOM 0 HG22 VAL A 54 15.879 -3.277 16.024 1.00 0.00 H new ATOM 0 HG23 VAL A 54 14.313 -4.114 16.146 1.00 0.00 H new ATOM 831 N THR A 55 14.791 -1.080 17.629 1.00 0.00 N ATOM 832 CA THR A 55 15.778 -0.607 18.591 1.00 0.00 C ATOM 833 C THR A 55 16.457 -1.774 19.300 1.00 0.00 C ATOM 834 O THR A 55 15.804 -2.557 19.988 1.00 0.00 O ATOM 835 CB THR A 55 15.139 0.318 19.644 1.00 0.00 C ATOM 836 OG1 THR A 55 13.784 0.608 19.283 1.00 0.00 O ATOM 837 CG2 THR A 55 15.924 1.614 19.773 1.00 0.00 C ATOM 0 H THR A 55 13.958 -1.494 18.048 1.00 0.00 H new ATOM 0 HA THR A 55 16.523 -0.044 18.029 1.00 0.00 H new ATOM 0 HB THR A 55 15.156 -0.195 20.605 1.00 0.00 H new ATOM 0 HG1 THR A 55 13.384 1.195 19.958 1.00 0.00 H new ATOM 0 HG21 THR A 55 15.454 2.251 20.522 1.00 0.00 H new ATOM 0 HG22 THR A 55 16.947 1.391 20.076 1.00 0.00 H new ATOM 0 HG23 THR A 55 15.935 2.130 18.813 1.00 0.00 H new ATOM 845 N GLU A 56 17.770 -1.882 19.128 1.00 0.00 N ATOM 846 CA GLU A 56 18.536 -2.954 19.753 1.00 0.00 C ATOM 847 C GLU A 56 18.992 -2.552 21.153 1.00 0.00 C ATOM 848 O GLU A 56 19.876 -3.203 21.708 1.00 0.00 O ATOM 849 CB GLU A 56 19.750 -3.312 18.892 1.00 0.00 C ATOM 850 CG GLU A 56 20.265 -4.723 19.124 1.00 0.00 C ATOM 851 CD GLU A 56 21.779 -4.797 19.131 1.00 0.00 C ATOM 852 OE1 GLU A 56 22.404 -4.079 19.941 1.00 0.00 O ATOM 853 OE2 GLU A 56 22.340 -5.572 18.329 1.00 0.00 O ATOM 0 H GLU A 56 18.326 -1.241 18.562 1.00 0.00 H new ATOM 0 HA GLU A 56 17.889 -3.827 19.837 1.00 0.00 H new ATOM 0 HB2 GLU A 56 19.485 -3.199 17.841 1.00 0.00 H new ATOM 0 HB3 GLU A 56 20.552 -2.603 19.097 1.00 0.00 H new ATOM 0 HG2 GLU A 56 19.882 -5.094 20.075 1.00 0.00 H new ATOM 0 HG3 GLU A 56 19.876 -5.380 18.346 1.00 0.00 H new TER 860 GLU A 56