USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 706 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 67 GLN : amide:sc= -3.09 K(o=-9.1,f=-13!) USER MOD Set 1.2: A 75 HIS : no HE2:sc= -6! C(o=-9.1!,f=-12!) USER MOD Set 2.1: A 59 THR OG1 : rot 180:sc= -0.274 USER MOD Set 2.2: A 60 GLN : amide:sc= -1.62 K(o=-1.9,f=-5.9!) USER MOD Set 3.1: A 7 TYR OH : rot 180:sc= -0.0834 USER MOD Set 3.2: A 37 MET CE :methyl 148:sc= -0.182 (180deg=-2.19) USER MOD Set 4.1: A 3 LYS NZ :NH3+ 177:sc= 1.19 (180deg=1.1) USER MOD Set 4.2: A 54 LYS NZ :NH3+ -124:sc= -0.0288 (180deg=-0.577) USER MOD Single : A 1 MET CE :methyl 143:sc= -2.11 (180deg=-3.9) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.114 (180deg=0) USER MOD Single : A 5 TYR OH : rot -30:sc= -2.2 USER MOD Single : A 9 SER OG : rot -69:sc= 1.08 USER MOD Single : A 10 ASN : amide:sc= -0.0492 X(o=-0.049,f=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.041 X(o=-0.041,f=-0.22) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 31:sc= 0.629 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot -180:sc= -1.39 USER MOD Single : A 19 ASN : amide:sc= -0.411 X(o=-0.41,f=-0.18) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 77:sc= 1.04 USER MOD Single : A 27 LYS NZ :NH3+ 148:sc= -0.035 (180deg=-0.738) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.108 F(o=-1,f=-0.11) USER MOD Single : A 35 ASN :FLIP amide:sc= -0.155 F(o=-1,f=-0.15) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 77:sc= 0.243 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.181 -0.999 12.297 1.00 0.00 N ATOM 2 CA MET A 1 2.756 -1.974 11.337 1.00 0.00 C ATOM 3 C MET A 1 2.754 -1.402 9.927 1.00 0.00 C ATOM 4 O MET A 1 2.189 -0.335 9.689 1.00 0.00 O ATOM 5 CB MET A 1 1.955 -3.258 11.400 1.00 0.00 C ATOM 6 CG MET A 1 2.756 -4.452 10.954 1.00 0.00 C ATOM 7 SD MET A 1 4.270 -4.676 11.909 1.00 0.00 S ATOM 8 CE MET A 1 3.611 -4.732 13.573 1.00 0.00 C ATOM 0 H1 MET A 1 2.860 -0.827 13.066 1.00 0.00 H new ATOM 0 H2 MET A 1 1.981 -0.105 11.805 1.00 0.00 H new ATOM 0 H3 MET A 1 1.299 -1.381 12.694 1.00 0.00 H new ATOM 0 HA MET A 1 3.791 -2.183 11.606 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.607 -3.417 12.421 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.069 -3.162 10.772 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.142 -5.348 11.040 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.010 -4.340 9.900 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.173 -5.456 14.163 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.695 -3.747 14.031 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.562 -5.028 13.539 1.00 0.00 H new ATOM 20 N PHE A 2 3.396 -2.102 8.994 1.00 0.00 N ATOM 21 CA PHE A 2 3.470 -1.638 7.612 1.00 0.00 C ATOM 22 C PHE A 2 2.123 -1.102 7.157 1.00 0.00 C ATOM 23 O PHE A 2 1.083 -1.688 7.432 1.00 0.00 O ATOM 24 CB PHE A 2 3.930 -2.771 6.699 1.00 0.00 C ATOM 25 CG PHE A 2 5.307 -3.274 7.032 1.00 0.00 C ATOM 26 CD1 PHE A 2 6.428 -2.585 6.603 1.00 0.00 C ATOM 27 CD2 PHE A 2 5.478 -4.429 7.776 1.00 0.00 C ATOM 28 CE1 PHE A 2 7.695 -3.036 6.909 1.00 0.00 C ATOM 29 CE2 PHE A 2 6.744 -4.887 8.087 1.00 0.00 C ATOM 30 CZ PHE A 2 7.856 -4.189 7.652 1.00 0.00 C ATOM 0 H PHE A 2 3.870 -2.988 9.169 1.00 0.00 H new ATOM 0 HA PHE A 2 4.198 -0.828 7.556 1.00 0.00 H new ATOM 0 HB2 PHE A 2 3.221 -3.596 6.769 1.00 0.00 H new ATOM 0 HB3 PHE A 2 3.916 -2.425 5.665 1.00 0.00 H new ATOM 0 HD1 PHE A 2 6.309 -1.683 6.021 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.613 -4.978 8.117 1.00 0.00 H new ATOM 0 HE1 PHE A 2 8.561 -2.488 6.568 1.00 0.00 H new ATOM 0 HE2 PHE A 2 6.865 -5.789 8.669 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.847 -4.544 7.893 1.00 0.00 H new ATOM 40 N LYS A 3 2.150 0.035 6.489 1.00 0.00 N ATOM 41 CA LYS A 3 0.928 0.674 6.027 1.00 0.00 C ATOM 42 C LYS A 3 0.789 0.590 4.518 1.00 0.00 C ATOM 43 O LYS A 3 1.664 1.028 3.781 1.00 0.00 O ATOM 44 CB LYS A 3 0.914 2.138 6.462 1.00 0.00 C ATOM 45 CG LYS A 3 0.391 2.352 7.872 1.00 0.00 C ATOM 46 CD LYS A 3 1.525 2.363 8.887 1.00 0.00 C ATOM 47 CE LYS A 3 1.745 3.751 9.470 1.00 0.00 C ATOM 48 NZ LYS A 3 2.969 4.396 8.922 1.00 0.00 N ATOM 0 H LYS A 3 3.005 0.538 6.253 1.00 0.00 H new ATOM 0 HA LYS A 3 0.086 0.146 6.473 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.926 2.537 6.395 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.300 2.709 5.766 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.153 3.295 7.921 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.317 1.562 8.123 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.301 1.662 9.691 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.443 2.019 8.411 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.878 4.376 9.256 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.827 3.680 10.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.055 5.359 9.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.805 3.839 9.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.903 4.441 7.885 1.00 0.00 H new ATOM 62 N VAL A 4 -0.322 0.034 4.056 1.00 0.00 N ATOM 63 CA VAL A 4 -0.559 -0.078 2.624 1.00 0.00 C ATOM 64 C VAL A 4 -1.705 0.822 2.178 1.00 0.00 C ATOM 65 O VAL A 4 -2.698 0.990 2.886 1.00 0.00 O ATOM 66 CB VAL A 4 -0.865 -1.525 2.187 1.00 0.00 C ATOM 67 CG1 VAL A 4 -1.340 -1.561 0.741 1.00 0.00 C ATOM 68 CG2 VAL A 4 0.359 -2.402 2.351 1.00 0.00 C ATOM 0 H VAL A 4 -1.066 -0.343 4.644 1.00 0.00 H new ATOM 0 HA VAL A 4 0.367 0.240 2.145 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.660 -1.909 2.826 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.550 -2.591 0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.246 -0.964 0.641 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.564 -1.154 0.093 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.123 -3.419 2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.171 -2.012 1.737 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.666 -2.407 3.397 1.00 0.00 H new ATOM 78 N TYR A 5 -1.560 1.372 0.982 1.00 0.00 N ATOM 79 CA TYR A 5 -2.574 2.232 0.395 1.00 0.00 C ATOM 80 C TYR A 5 -2.968 1.685 -0.967 1.00 0.00 C ATOM 81 O TYR A 5 -2.227 1.829 -1.937 1.00 0.00 O ATOM 82 CB TYR A 5 -2.055 3.662 0.237 1.00 0.00 C ATOM 83 CG TYR A 5 -1.825 4.397 1.538 1.00 0.00 C ATOM 84 CD1 TYR A 5 -0.881 3.952 2.455 1.00 0.00 C ATOM 85 CD2 TYR A 5 -2.538 5.551 1.838 1.00 0.00 C ATOM 86 CE1 TYR A 5 -0.656 4.638 3.634 1.00 0.00 C ATOM 87 CE2 TYR A 5 -2.315 6.243 3.013 1.00 0.00 C ATOM 88 CZ TYR A 5 -1.373 5.783 3.907 1.00 0.00 C ATOM 89 OH TYR A 5 -1.152 6.468 5.079 1.00 0.00 O ATOM 0 H TYR A 5 -0.738 1.235 0.393 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.439 2.251 1.058 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -1.118 3.635 -0.320 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.767 4.228 -0.364 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.315 3.057 2.244 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -3.279 5.913 1.141 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.079 4.278 4.339 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.876 7.140 3.230 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.871 5.840 5.777 1.00 0.00 H new ATOM 99 N GLY A 6 -4.125 1.043 -1.037 1.00 0.00 N ATOM 100 CA GLY A 6 -4.574 0.477 -2.287 1.00 0.00 C ATOM 101 C GLY A 6 -6.044 0.123 -2.260 1.00 0.00 C ATOM 102 O GLY A 6 -6.860 0.849 -1.691 1.00 0.00 O ATOM 0 H GLY A 6 -4.759 0.905 -0.250 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.388 1.187 -3.093 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.991 -0.417 -2.509 1.00 0.00 H new ATOM 106 N TYR A 7 -6.378 -0.999 -2.878 1.00 0.00 N ATOM 107 CA TYR A 7 -7.743 -1.470 -2.937 1.00 0.00 C ATOM 108 C TYR A 7 -7.847 -2.883 -2.378 1.00 0.00 C ATOM 109 O TYR A 7 -6.848 -3.596 -2.280 1.00 0.00 O ATOM 110 CB TYR A 7 -8.226 -1.439 -4.381 1.00 0.00 C ATOM 111 CG TYR A 7 -8.056 -0.089 -5.036 1.00 0.00 C ATOM 112 CD1 TYR A 7 -8.633 1.049 -4.486 1.00 0.00 C ATOM 113 CD2 TYR A 7 -7.302 0.052 -6.193 1.00 0.00 C ATOM 114 CE1 TYR A 7 -8.462 2.288 -5.074 1.00 0.00 C ATOM 115 CE2 TYR A 7 -7.124 1.287 -6.784 1.00 0.00 C ATOM 116 CZ TYR A 7 -7.706 2.402 -6.220 1.00 0.00 C ATOM 117 OH TYR A 7 -7.530 3.636 -6.804 1.00 0.00 O ATOM 0 H TYR A 7 -5.707 -1.605 -3.351 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.371 -0.817 -2.330 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.679 -2.186 -4.956 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.279 -1.721 -4.411 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -9.224 0.964 -3.586 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.847 -0.820 -6.639 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.919 3.163 -4.637 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.532 1.379 -7.683 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.971 3.543 -7.603 1.00 0.00 H new ATOM 127 N ASP A 8 -9.058 -3.279 -2.009 1.00 0.00 N ATOM 128 CA ASP A 8 -9.293 -4.608 -1.458 1.00 0.00 C ATOM 129 C ASP A 8 -9.924 -5.515 -2.508 1.00 0.00 C ATOM 130 O ASP A 8 -10.677 -6.431 -2.181 1.00 0.00 O ATOM 131 CB ASP A 8 -10.204 -4.516 -0.234 1.00 0.00 C ATOM 132 CG ASP A 8 -9.767 -3.432 0.732 1.00 0.00 C ATOM 133 OD1 ASP A 8 -8.688 -3.583 1.345 1.00 0.00 O ATOM 134 OD2 ASP A 8 -10.500 -2.432 0.873 1.00 0.00 O ATOM 0 H ASP A 8 -9.894 -2.699 -2.081 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.335 -5.033 -1.158 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -11.226 -4.319 -0.559 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.213 -5.476 0.282 1.00 0.00 H new ATOM 139 N SER A 9 -9.613 -5.245 -3.775 1.00 0.00 N ATOM 140 CA SER A 9 -10.150 -6.027 -4.886 1.00 0.00 C ATOM 141 C SER A 9 -11.666 -5.848 -5.011 1.00 0.00 C ATOM 142 O SER A 9 -12.327 -6.563 -5.765 1.00 0.00 O ATOM 143 CB SER A 9 -9.810 -7.509 -4.702 1.00 0.00 C ATOM 144 OG SER A 9 -10.775 -8.168 -3.902 1.00 0.00 O ATOM 0 H SER A 9 -8.990 -4.488 -4.057 1.00 0.00 H new ATOM 0 HA SER A 9 -9.690 -5.664 -5.805 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.752 -7.994 -5.677 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.827 -7.603 -4.240 1.00 0.00 H new ATOM 0 HG SER A 9 -10.709 -7.847 -2.978 1.00 0.00 H new ATOM 150 N ASN A 10 -12.211 -4.893 -4.263 1.00 0.00 N ATOM 151 CA ASN A 10 -13.643 -4.621 -4.280 1.00 0.00 C ATOM 152 C ASN A 10 -14.024 -3.638 -5.382 1.00 0.00 C ATOM 153 O ASN A 10 -14.904 -3.909 -6.198 1.00 0.00 O ATOM 154 CB ASN A 10 -14.075 -4.065 -2.921 1.00 0.00 C ATOM 155 CG ASN A 10 -15.502 -4.438 -2.563 1.00 0.00 C ATOM 156 OD1 ASN A 10 -16.353 -3.569 -2.370 1.00 0.00 O ATOM 157 ND2 ASN A 10 -15.773 -5.736 -2.471 1.00 0.00 N ATOM 0 H ASN A 10 -11.678 -4.292 -3.634 1.00 0.00 H new ATOM 0 HA ASN A 10 -14.158 -5.560 -4.482 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -13.402 -4.438 -2.149 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -13.979 -2.979 -2.930 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -16.716 -6.045 -2.233 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -15.038 -6.424 -2.639 1.00 0.00 H new ATOM 164 N ILE A 11 -13.381 -2.479 -5.378 1.00 0.00 N ATOM 165 CA ILE A 11 -13.681 -1.440 -6.354 1.00 0.00 C ATOM 166 C ILE A 11 -12.768 -1.493 -7.564 1.00 0.00 C ATOM 167 O ILE A 11 -13.129 -1.016 -8.639 1.00 0.00 O ATOM 168 CB ILE A 11 -13.563 -0.039 -5.726 1.00 0.00 C ATOM 169 CG1 ILE A 11 -14.424 0.052 -4.473 1.00 0.00 C ATOM 170 CG2 ILE A 11 -13.943 1.045 -6.726 1.00 0.00 C ATOM 171 CD1 ILE A 11 -13.637 -0.061 -3.186 1.00 0.00 C ATOM 0 H ILE A 11 -12.649 -2.234 -4.711 1.00 0.00 H new ATOM 0 HA ILE A 11 -14.705 -1.627 -6.678 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.523 0.122 -5.444 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.960 1.001 -4.479 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.175 -0.738 -4.500 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -13.850 2.023 -6.255 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -13.279 0.993 -7.589 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -14.972 0.895 -7.051 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -14.316 0.013 -2.337 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -13.123 -1.022 -3.157 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -12.904 0.745 -3.136 1.00 0.00 H new ATOM 183 N HIS A 12 -11.579 -2.041 -7.393 1.00 0.00 N ATOM 184 CA HIS A 12 -10.644 -2.097 -8.495 1.00 0.00 C ATOM 185 C HIS A 12 -9.798 -3.352 -8.420 1.00 0.00 C ATOM 186 O HIS A 12 -9.305 -3.728 -7.359 1.00 0.00 O ATOM 187 CB HIS A 12 -9.775 -0.850 -8.470 1.00 0.00 C ATOM 188 CG HIS A 12 -9.200 -0.471 -9.785 1.00 0.00 C ATOM 189 ND1 HIS A 12 -9.937 -0.368 -10.937 1.00 0.00 N ATOM 190 CD2 HIS A 12 -7.937 -0.118 -10.108 1.00 0.00 C ATOM 191 CE1 HIS A 12 -9.119 0.033 -11.913 1.00 0.00 C ATOM 192 NE2 HIS A 12 -7.886 0.197 -11.463 1.00 0.00 N ATOM 0 H HIS A 12 -11.245 -2.446 -6.518 1.00 0.00 H new ATOM 0 HA HIS A 12 -11.193 -2.132 -9.436 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -10.369 -0.017 -8.094 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -8.960 -1.005 -7.763 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.101 -0.085 -9.425 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -9.424 0.201 -12.935 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -7.069 0.492 -11.997 1.00 0.00 H new ATOM 200 N LYS A 13 -9.652 -4.002 -9.556 1.00 0.00 N ATOM 201 CA LYS A 13 -8.886 -5.235 -9.635 1.00 0.00 C ATOM 202 C LYS A 13 -7.434 -5.006 -9.247 1.00 0.00 C ATOM 203 O LYS A 13 -6.782 -4.096 -9.756 1.00 0.00 O ATOM 204 CB LYS A 13 -8.961 -5.842 -11.035 1.00 0.00 C ATOM 205 CG LYS A 13 -8.669 -7.330 -11.041 1.00 0.00 C ATOM 206 CD LYS A 13 -8.678 -7.910 -12.440 1.00 0.00 C ATOM 207 CE LYS A 13 -8.039 -9.288 -12.445 1.00 0.00 C ATOM 208 NZ LYS A 13 -8.442 -10.102 -13.623 1.00 0.00 N ATOM 0 H LYS A 13 -10.054 -3.698 -10.443 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.328 -5.936 -8.927 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.954 -5.669 -11.450 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.250 -5.333 -11.686 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.697 -7.509 -10.582 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.410 -7.846 -10.431 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.702 -7.976 -12.807 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.138 -7.249 -13.118 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.954 -9.181 -12.436 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.315 -9.816 -11.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.978 -11.032 -13.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.474 -10.229 -13.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.156 -9.615 -14.496 1.00 0.00 H new ATOM 222 N CYS A 14 -6.933 -5.838 -8.341 1.00 0.00 N ATOM 223 CA CYS A 14 -5.552 -5.723 -7.878 1.00 0.00 C ATOM 224 C CYS A 14 -5.059 -7.040 -7.267 1.00 0.00 C ATOM 225 O CYS A 14 -5.196 -7.261 -6.067 1.00 0.00 O ATOM 226 CB CYS A 14 -5.457 -4.608 -6.837 1.00 0.00 C ATOM 227 SG CYS A 14 -5.423 -2.939 -7.525 1.00 0.00 S ATOM 0 H CYS A 14 -7.460 -6.599 -7.912 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.921 -5.489 -8.735 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.306 -4.690 -6.158 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.557 -4.760 -6.242 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.105 -2.912 -8.631 1.00 0.00 H new ATOM 233 N VAL A 15 -4.493 -7.911 -8.096 1.00 0.00 N ATOM 234 CA VAL A 15 -3.996 -9.207 -7.626 1.00 0.00 C ATOM 235 C VAL A 15 -2.694 -9.073 -6.837 1.00 0.00 C ATOM 236 O VAL A 15 -2.472 -9.791 -5.860 1.00 0.00 O ATOM 237 CB VAL A 15 -3.761 -10.171 -8.801 1.00 0.00 C ATOM 238 CG1 VAL A 15 -5.083 -10.609 -9.413 1.00 0.00 C ATOM 239 CG2 VAL A 15 -2.867 -9.523 -9.848 1.00 0.00 C ATOM 0 H VAL A 15 -4.365 -7.747 -9.095 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.767 -9.607 -6.967 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.256 -11.060 -8.422 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.892 -11.290 -10.242 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.683 -11.116 -8.658 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.622 -9.735 -9.778 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.710 -10.218 -10.673 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.343 -8.617 -10.222 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.906 -9.269 -9.400 1.00 0.00 H new ATOM 249 N TYR A 16 -1.824 -8.167 -7.276 1.00 0.00 N ATOM 250 CA TYR A 16 -0.534 -7.957 -6.621 1.00 0.00 C ATOM 251 C TYR A 16 -0.709 -7.636 -5.139 1.00 0.00 C ATOM 252 O TYR A 16 0.159 -7.942 -4.322 1.00 0.00 O ATOM 253 CB TYR A 16 0.237 -6.831 -7.314 1.00 0.00 C ATOM 254 CG TYR A 16 1.236 -7.322 -8.336 1.00 0.00 C ATOM 255 CD1 TYR A 16 0.814 -7.936 -9.508 1.00 0.00 C ATOM 256 CD2 TYR A 16 2.601 -7.173 -8.128 1.00 0.00 C ATOM 257 CE1 TYR A 16 1.725 -8.386 -10.445 1.00 0.00 C ATOM 258 CE2 TYR A 16 3.518 -7.621 -9.060 1.00 0.00 C ATOM 259 CZ TYR A 16 3.075 -8.226 -10.217 1.00 0.00 C ATOM 260 OH TYR A 16 3.983 -8.673 -11.148 1.00 0.00 O ATOM 0 H TYR A 16 -1.988 -7.566 -8.083 1.00 0.00 H new ATOM 0 HA TYR A 16 0.035 -8.883 -6.702 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.473 -6.164 -7.803 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.760 -6.243 -6.560 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -0.243 -8.064 -9.690 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.952 -6.699 -7.223 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.381 -8.861 -11.352 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.576 -7.498 -8.883 1.00 0.00 H new ATOM 0 HH TYR A 16 4.892 -8.483 -10.836 1.00 0.00 H new ATOM 270 N CYS A 17 -1.836 -7.020 -4.799 1.00 0.00 N ATOM 271 CA CYS A 17 -2.118 -6.666 -3.416 1.00 0.00 C ATOM 272 C CYS A 17 -2.266 -7.924 -2.570 1.00 0.00 C ATOM 273 O CYS A 17 -1.505 -8.146 -1.629 1.00 0.00 O ATOM 274 CB CYS A 17 -3.392 -5.822 -3.328 1.00 0.00 C ATOM 275 SG CYS A 17 -3.630 -5.013 -1.728 1.00 0.00 S ATOM 0 H CYS A 17 -2.566 -6.757 -5.461 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.283 -6.079 -3.033 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.366 -5.061 -4.108 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.252 -6.459 -3.533 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.732 -4.324 -1.750 1.00 0.00 H new ATOM 281 N ASP A 18 -3.243 -8.750 -2.923 1.00 0.00 N ATOM 282 CA ASP A 18 -3.495 -9.994 -2.204 1.00 0.00 C ATOM 283 C ASP A 18 -2.249 -10.876 -2.185 1.00 0.00 C ATOM 284 O ASP A 18 -1.980 -11.567 -1.202 1.00 0.00 O ATOM 285 CB ASP A 18 -4.655 -10.751 -2.856 1.00 0.00 C ATOM 286 CG ASP A 18 -5.173 -11.875 -1.982 1.00 0.00 C ATOM 287 OD1 ASP A 18 -4.385 -12.408 -1.172 1.00 0.00 O ATOM 288 OD2 ASP A 18 -6.366 -12.223 -2.107 1.00 0.00 O ATOM 0 H ASP A 18 -3.876 -8.581 -3.705 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.757 -9.745 -1.176 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.467 -10.055 -3.068 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.328 -11.159 -3.812 1.00 0.00 H new ATOM 293 N ASN A 19 -1.496 -10.852 -3.281 1.00 0.00 N ATOM 294 CA ASN A 19 -0.283 -11.655 -3.397 1.00 0.00 C ATOM 295 C ASN A 19 0.790 -11.190 -2.416 1.00 0.00 C ATOM 296 O ASN A 19 1.518 -12.005 -1.845 1.00 0.00 O ATOM 297 CB ASN A 19 0.259 -11.598 -4.828 1.00 0.00 C ATOM 298 CG ASN A 19 -0.544 -12.465 -5.778 1.00 0.00 C ATOM 299 OD1 ASN A 19 -0.763 -13.648 -5.522 1.00 0.00 O ATOM 300 ND2 ASN A 19 -0.986 -11.878 -6.885 1.00 0.00 N ATOM 0 H ASN A 19 -1.705 -10.284 -4.102 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.544 -12.685 -3.152 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.245 -10.566 -5.180 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.300 -11.922 -4.834 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.530 -12.412 -7.563 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.781 -10.894 -7.057 1.00 0.00 H new ATOM 307 N ALA A 20 0.894 -9.879 -2.227 1.00 0.00 N ATOM 308 CA ALA A 20 1.885 -9.331 -1.314 1.00 0.00 C ATOM 309 C ALA A 20 1.496 -9.594 0.132 1.00 0.00 C ATOM 310 O ALA A 20 2.352 -9.853 0.977 1.00 0.00 O ATOM 311 CB ALA A 20 2.083 -7.841 -1.560 1.00 0.00 C ATOM 0 H ALA A 20 0.309 -9.183 -2.690 1.00 0.00 H new ATOM 0 HA ALA A 20 2.833 -9.834 -1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.828 -7.453 -0.866 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.424 -7.683 -2.583 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.139 -7.318 -1.407 1.00 0.00 H new ATOM 317 N LYS A 21 0.200 -9.546 0.413 1.00 0.00 N ATOM 318 CA LYS A 21 -0.292 -9.801 1.759 1.00 0.00 C ATOM 319 C LYS A 21 0.098 -11.208 2.195 1.00 0.00 C ATOM 320 O LYS A 21 0.397 -11.450 3.365 1.00 0.00 O ATOM 321 CB LYS A 21 -1.811 -9.636 1.812 1.00 0.00 C ATOM 322 CG LYS A 21 -2.404 -9.904 3.186 1.00 0.00 C ATOM 323 CD LYS A 21 -3.690 -10.709 3.094 1.00 0.00 C ATOM 324 CE LYS A 21 -4.351 -10.858 4.454 1.00 0.00 C ATOM 325 NZ LYS A 21 -5.830 -10.986 4.342 1.00 0.00 N ATOM 0 H LYS A 21 -0.526 -9.334 -0.271 1.00 0.00 H new ATOM 0 HA LYS A 21 0.159 -9.079 2.440 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.069 -8.622 1.505 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.267 -10.313 1.090 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.680 -10.443 3.796 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.602 -8.957 3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.379 -10.220 2.405 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.475 -11.695 2.683 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.948 -11.736 4.959 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.107 -9.994 5.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.243 -11.086 5.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.218 -10.137 3.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.064 -11.825 3.773 1.00 0.00 H new ATOM 339 N ARG A 22 0.105 -12.132 1.237 1.00 0.00 N ATOM 340 CA ARG A 22 0.473 -13.514 1.513 1.00 0.00 C ATOM 341 C ARG A 22 1.957 -13.600 1.849 1.00 0.00 C ATOM 342 O ARG A 22 2.361 -14.337 2.749 1.00 0.00 O ATOM 343 CB ARG A 22 0.151 -14.404 0.308 1.00 0.00 C ATOM 344 CG ARG A 22 -0.778 -15.561 0.639 1.00 0.00 C ATOM 345 CD ARG A 22 -0.046 -16.667 1.382 1.00 0.00 C ATOM 346 NE ARG A 22 -0.951 -17.729 1.817 1.00 0.00 N ATOM 347 CZ ARG A 22 -0.555 -18.820 2.469 1.00 0.00 C ATOM 348 NH1 ARG A 22 0.727 -18.996 2.764 1.00 0.00 N ATOM 349 NH2 ARG A 22 -1.443 -19.737 2.828 1.00 0.00 N ATOM 0 H ARG A 22 -0.140 -11.947 0.264 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.105 -13.866 2.367 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.305 -13.794 -0.472 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.081 -14.800 -0.100 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.608 -15.200 1.247 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.206 -15.960 -0.281 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.724 -17.089 0.736 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.462 -16.246 2.250 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.944 -17.628 1.609 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.414 -18.293 2.491 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.025 -19.834 3.264 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.430 -19.607 2.605 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.139 -20.573 3.328 1.00 0.00 H new ATOM 363 N LEU A 23 2.763 -12.825 1.125 1.00 0.00 N ATOM 364 CA LEU A 23 4.204 -12.793 1.355 1.00 0.00 C ATOM 365 C LEU A 23 4.489 -12.449 2.812 1.00 0.00 C ATOM 366 O LEU A 23 5.209 -13.168 3.504 1.00 0.00 O ATOM 367 CB LEU A 23 4.862 -11.764 0.426 1.00 0.00 C ATOM 368 CG LEU A 23 6.267 -11.303 0.833 1.00 0.00 C ATOM 369 CD1 LEU A 23 7.027 -10.791 -0.378 1.00 0.00 C ATOM 370 CD2 LEU A 23 6.189 -10.223 1.904 1.00 0.00 C ATOM 0 H LEU A 23 2.442 -12.212 0.376 1.00 0.00 H new ATOM 0 HA LEU A 23 4.622 -13.776 1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.915 -12.189 -0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.215 -10.889 0.368 1.00 0.00 H new ATOM 0 HG LEU A 23 6.802 -12.158 1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.022 -10.468 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.115 -11.588 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.490 -9.949 -0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.196 -9.910 2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.635 -9.367 1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.680 -10.618 2.783 1.00 0.00 H new ATOM 382 N LEU A 24 3.902 -11.349 3.272 1.00 0.00 N ATOM 383 CA LEU A 24 4.080 -10.909 4.649 1.00 0.00 C ATOM 384 C LEU A 24 3.631 -11.999 5.612 1.00 0.00 C ATOM 385 O LEU A 24 4.252 -12.218 6.651 1.00 0.00 O ATOM 386 CB LEU A 24 3.297 -9.620 4.901 1.00 0.00 C ATOM 387 CG LEU A 24 3.917 -8.366 4.283 1.00 0.00 C ATOM 388 CD1 LEU A 24 2.839 -7.385 3.860 1.00 0.00 C ATOM 389 CD2 LEU A 24 4.876 -7.709 5.260 1.00 0.00 C ATOM 0 H LEU A 24 3.299 -10.747 2.711 1.00 0.00 H new ATOM 0 HA LEU A 24 5.138 -10.710 4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.287 -9.741 4.508 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.205 -9.471 5.977 1.00 0.00 H new ATOM 0 HG LEU A 24 4.476 -8.665 3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.303 -6.501 3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.188 -7.855 3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.250 -7.094 4.730 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.308 -6.818 4.803 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.337 -7.428 6.165 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.672 -8.408 5.514 1.00 0.00 H new ATOM 401 N THR A 25 2.560 -12.700 5.246 1.00 0.00 N ATOM 402 CA THR A 25 2.051 -13.789 6.067 1.00 0.00 C ATOM 403 C THR A 25 3.127 -14.858 6.204 1.00 0.00 C ATOM 404 O THR A 25 3.333 -15.423 7.278 1.00 0.00 O ATOM 405 CB THR A 25 0.788 -14.386 5.444 1.00 0.00 C ATOM 406 OG1 THR A 25 -0.103 -13.362 5.038 1.00 0.00 O ATOM 407 CG2 THR A 25 0.034 -15.306 6.381 1.00 0.00 C ATOM 0 H THR A 25 2.032 -12.532 4.390 1.00 0.00 H new ATOM 0 HA THR A 25 1.793 -13.404 7.053 1.00 0.00 H new ATOM 0 HB THR A 25 1.135 -14.969 4.591 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.216 -12.964 4.201 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.850 -15.694 5.876 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.678 -16.135 6.673 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.269 -14.752 7.269 1.00 0.00 H new ATOM 415 N VAL A 26 3.831 -15.101 5.101 1.00 0.00 N ATOM 416 CA VAL A 26 4.915 -16.072 5.071 1.00 0.00 C ATOM 417 C VAL A 26 6.141 -15.503 5.777 1.00 0.00 C ATOM 418 O VAL A 26 6.905 -16.231 6.412 1.00 0.00 O ATOM 419 CB VAL A 26 5.286 -16.441 3.621 1.00 0.00 C ATOM 420 CG1 VAL A 26 6.389 -17.488 3.588 1.00 0.00 C ATOM 421 CG2 VAL A 26 4.059 -16.929 2.864 1.00 0.00 C ATOM 0 H VAL A 26 3.666 -14.633 4.210 1.00 0.00 H new ATOM 0 HA VAL A 26 4.578 -16.972 5.585 1.00 0.00 H new ATOM 0 HB VAL A 26 5.661 -15.543 3.129 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.631 -17.729 2.553 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.276 -17.097 4.086 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.051 -18.388 4.101 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.340 -17.185 1.842 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.652 -17.810 3.360 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.305 -16.142 2.847 1.00 0.00 H new ATOM 431 N LYS A 27 6.308 -14.188 5.665 1.00 0.00 N ATOM 432 CA LYS A 27 7.421 -13.491 6.295 1.00 0.00 C ATOM 433 C LYS A 27 7.186 -13.342 7.798 1.00 0.00 C ATOM 434 O LYS A 27 8.078 -12.921 8.531 1.00 0.00 O ATOM 435 CB LYS A 27 7.595 -12.104 5.664 1.00 0.00 C ATOM 436 CG LYS A 27 8.812 -11.975 4.756 1.00 0.00 C ATOM 437 CD LYS A 27 10.119 -12.242 5.493 1.00 0.00 C ATOM 438 CE LYS A 27 10.272 -11.373 6.734 1.00 0.00 C ATOM 439 NZ LYS A 27 10.598 -12.181 7.942 1.00 0.00 N ATOM 0 H LYS A 27 5.680 -13.581 5.139 1.00 0.00 H new ATOM 0 HA LYS A 27 8.325 -14.079 6.138 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.701 -11.865 5.089 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.670 -11.363 6.460 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.717 -12.674 3.925 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.838 -10.973 4.328 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.163 -13.293 5.780 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.957 -12.060 4.820 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.058 -10.637 6.567 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.349 -10.820 6.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.198 -11.622 8.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.719 -12.443 8.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.106 -13.043 7.657 1.00 0.00 H new ATOM 453 N LYS A 28 5.972 -13.672 8.244 1.00 0.00 N ATOM 454 CA LYS A 28 5.603 -13.560 9.653 1.00 0.00 C ATOM 455 C LYS A 28 5.764 -12.120 10.132 1.00 0.00 C ATOM 456 O LYS A 28 6.178 -11.865 11.264 1.00 0.00 O ATOM 457 CB LYS A 28 6.423 -14.541 10.515 1.00 0.00 C ATOM 458 CG LYS A 28 7.730 -13.984 11.072 1.00 0.00 C ATOM 459 CD LYS A 28 8.878 -14.968 10.896 1.00 0.00 C ATOM 460 CE LYS A 28 9.885 -14.478 9.868 1.00 0.00 C ATOM 461 NZ LYS A 28 11.184 -15.196 9.976 1.00 0.00 N ATOM 0 H LYS A 28 5.225 -14.021 7.644 1.00 0.00 H new ATOM 0 HA LYS A 28 4.553 -13.832 9.761 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.804 -14.872 11.349 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.649 -15.423 9.916 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.972 -13.048 10.568 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.606 -13.754 12.130 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.378 -15.119 11.853 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.484 -15.936 10.587 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.477 -14.615 8.867 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.049 -13.409 10.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.842 -14.832 9.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.587 -15.045 10.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.032 -16.213 9.823 1.00 0.00 H new ATOM 475 N GLN A 29 5.434 -11.178 9.253 1.00 0.00 N ATOM 476 CA GLN A 29 5.543 -9.762 9.570 1.00 0.00 C ATOM 477 C GLN A 29 4.195 -9.052 9.456 1.00 0.00 C ATOM 478 O GLN A 29 3.723 -8.786 8.349 1.00 0.00 O ATOM 479 CB GLN A 29 6.552 -9.094 8.637 1.00 0.00 C ATOM 480 CG GLN A 29 7.989 -9.199 9.121 1.00 0.00 C ATOM 481 CD GLN A 29 8.541 -7.872 9.606 1.00 0.00 C ATOM 482 OE1 GLN A 29 8.882 -6.996 8.668 1.00 0.00 O flip ATOM 483 NE2 GLN A 29 8.658 -7.637 10.808 1.00 0.00 N flip ATOM 0 H GLN A 29 5.088 -11.373 8.313 1.00 0.00 H new ATOM 0 HA GLN A 29 5.882 -9.681 10.603 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.476 -9.547 7.649 1.00 0.00 H new ATOM 0 HB3 GLN A 29 6.291 -8.042 8.526 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.044 -9.928 9.930 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.615 -9.574 8.311 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.383 -8.340 11.494 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.030 -6.739 11.118 1.00 0.00 H new ATOM 492 N PRO A 30 3.556 -8.725 10.595 1.00 0.00 N ATOM 493 CA PRO A 30 2.268 -8.033 10.607 1.00 0.00 C ATOM 494 C PRO A 30 2.230 -6.865 9.634 1.00 0.00 C ATOM 495 O PRO A 30 3.266 -6.428 9.133 1.00 0.00 O ATOM 496 CB PRO A 30 2.149 -7.491 12.044 1.00 0.00 C ATOM 497 CG PRO A 30 3.403 -7.882 12.751 1.00 0.00 C ATOM 498 CD PRO A 30 4.030 -8.992 11.959 1.00 0.00 C ATOM 0 HA PRO A 30 1.461 -8.703 10.312 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.027 -6.408 12.041 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.275 -7.908 12.545 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.082 -7.033 12.828 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.186 -8.210 13.768 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.118 -8.969 12.021 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.711 -9.972 12.314 1.00 0.00 H new ATOM 506 N PHE A 31 1.034 -6.333 9.406 1.00 0.00 N ATOM 507 CA PHE A 31 0.870 -5.179 8.533 1.00 0.00 C ATOM 508 C PHE A 31 -0.479 -4.502 8.752 1.00 0.00 C ATOM 509 O PHE A 31 -1.349 -5.031 9.445 1.00 0.00 O ATOM 510 CB PHE A 31 1.019 -5.572 7.075 1.00 0.00 C ATOM 511 CG PHE A 31 0.232 -6.788 6.719 1.00 0.00 C ATOM 512 CD1 PHE A 31 0.665 -8.037 7.117 1.00 0.00 C ATOM 513 CD2 PHE A 31 -0.943 -6.684 5.999 1.00 0.00 C ATOM 514 CE1 PHE A 31 -0.058 -9.167 6.805 1.00 0.00 C ATOM 515 CE2 PHE A 31 -1.675 -7.808 5.683 1.00 0.00 C ATOM 516 CZ PHE A 31 -1.233 -9.055 6.085 1.00 0.00 C ATOM 0 H PHE A 31 0.166 -6.682 9.813 1.00 0.00 H new ATOM 0 HA PHE A 31 1.657 -4.469 8.787 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.700 -4.741 6.445 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.072 -5.750 6.858 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.582 -8.129 7.680 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.291 -5.712 5.681 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.292 -10.138 7.122 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -2.593 -7.715 5.122 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.803 -9.938 5.838 1.00 0.00 H new ATOM 526 N GLU A 32 -0.649 -3.332 8.143 1.00 0.00 N ATOM 527 CA GLU A 32 -1.891 -2.575 8.251 1.00 0.00 C ATOM 528 C GLU A 32 -2.282 -1.994 6.893 1.00 0.00 C ATOM 529 O GLU A 32 -1.507 -1.265 6.276 1.00 0.00 O ATOM 530 CB GLU A 32 -1.742 -1.451 9.279 1.00 0.00 C ATOM 531 CG GLU A 32 -3.017 -1.161 10.053 1.00 0.00 C ATOM 532 CD GLU A 32 -4.015 -0.350 9.250 1.00 0.00 C ATOM 533 OE1 GLU A 32 -3.722 0.829 8.957 1.00 0.00 O ATOM 534 OE2 GLU A 32 -5.088 -0.893 8.914 1.00 0.00 O ATOM 0 H GLU A 32 0.064 -2.886 7.566 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.679 -3.252 8.582 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.952 -1.716 9.982 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.423 -0.543 8.768 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.477 -2.102 10.353 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.768 -0.622 10.967 1.00 0.00 H new ATOM 541 N PHE A 33 -3.481 -2.330 6.431 1.00 0.00 N ATOM 542 CA PHE A 33 -3.968 -1.855 5.144 1.00 0.00 C ATOM 543 C PHE A 33 -4.705 -0.525 5.276 1.00 0.00 C ATOM 544 O PHE A 33 -5.167 -0.161 6.357 1.00 0.00 O ATOM 545 CB PHE A 33 -4.900 -2.901 4.531 1.00 0.00 C ATOM 546 CG PHE A 33 -4.967 -2.836 3.037 1.00 0.00 C ATOM 547 CD1 PHE A 33 -3.856 -3.141 2.276 1.00 0.00 C ATOM 548 CD2 PHE A 33 -6.138 -2.466 2.397 1.00 0.00 C ATOM 549 CE1 PHE A 33 -3.907 -3.079 0.895 1.00 0.00 C ATOM 550 CE2 PHE A 33 -6.196 -2.399 1.018 1.00 0.00 C ATOM 551 CZ PHE A 33 -5.078 -2.706 0.267 1.00 0.00 C ATOM 0 H PHE A 33 -4.135 -2.932 6.932 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.106 -1.697 4.496 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.565 -3.894 4.829 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.902 -2.767 4.938 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.937 -3.431 2.764 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.014 -2.227 2.981 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.033 -3.322 0.310 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.113 -2.107 0.528 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.120 -2.654 -0.811 1.00 0.00 H new ATOM 561 N ILE A 34 -4.814 0.187 4.157 1.00 0.00 N ATOM 562 CA ILE A 34 -5.499 1.472 4.115 1.00 0.00 C ATOM 563 C ILE A 34 -6.206 1.644 2.779 1.00 0.00 C ATOM 564 O ILE A 34 -5.585 1.596 1.718 1.00 0.00 O ATOM 565 CB ILE A 34 -4.534 2.646 4.338 1.00 0.00 C ATOM 566 CG1 ILE A 34 -3.615 2.350 5.523 1.00 0.00 C ATOM 567 CG2 ILE A 34 -5.311 3.934 4.572 1.00 0.00 C ATOM 568 CD1 ILE A 34 -2.496 3.354 5.692 1.00 0.00 C ATOM 0 H ILE A 34 -4.431 -0.110 3.259 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.228 1.477 4.925 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.922 2.773 3.445 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.210 2.326 6.436 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.184 1.357 5.398 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.613 4.757 4.728 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.933 4.146 3.703 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.944 3.822 5.453 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.886 3.078 6.552 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.876 3.362 4.796 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.918 4.346 5.850 1.00 0.00 H new ATOM 580 N ASN A 35 -7.512 1.819 2.849 1.00 0.00 N ATOM 581 CA ASN A 35 -8.339 1.975 1.655 1.00 0.00 C ATOM 582 C ASN A 35 -8.325 3.409 1.143 1.00 0.00 C ATOM 583 O ASN A 35 -8.530 4.355 1.902 1.00 0.00 O ATOM 584 CB ASN A 35 -9.778 1.547 1.950 1.00 0.00 C ATOM 585 CG ASN A 35 -9.846 0.223 2.688 1.00 0.00 C ATOM 586 OD1 ASN A 35 -9.004 -0.722 2.286 1.00 0.00 O flip ATOM 587 ND2 ASN A 35 -10.643 0.053 3.609 1.00 0.00 N flip ATOM 0 H ASN A 35 -8.032 1.858 3.726 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.918 1.336 0.879 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.269 2.317 2.545 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.330 1.467 1.014 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.272 0.807 3.885 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.675 -0.842 4.097 1.00 0.00 H new ATOM 594 N ILE A 36 -8.091 3.556 -0.157 1.00 0.00 N ATOM 595 CA ILE A 36 -8.058 4.869 -0.784 1.00 0.00 C ATOM 596 C ILE A 36 -9.373 5.166 -1.504 1.00 0.00 C ATOM 597 O ILE A 36 -9.770 6.325 -1.637 1.00 0.00 O ATOM 598 CB ILE A 36 -6.892 4.984 -1.785 1.00 0.00 C ATOM 599 CG1 ILE A 36 -6.888 3.792 -2.743 1.00 0.00 C ATOM 600 CG2 ILE A 36 -5.569 5.074 -1.039 1.00 0.00 C ATOM 601 CD1 ILE A 36 -6.283 4.104 -4.095 1.00 0.00 C ATOM 0 H ILE A 36 -7.921 2.780 -0.796 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.912 5.599 0.012 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.024 5.893 -2.372 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.334 2.972 -2.287 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.912 3.446 -2.883 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.752 5.155 -1.756 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.574 5.953 -0.394 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.432 4.179 -0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.314 3.213 -4.722 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.851 4.903 -4.572 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.248 4.421 -3.966 1.00 0.00 H new ATOM 613 N MET A 37 -10.050 4.112 -1.959 1.00 0.00 N ATOM 614 CA MET A 37 -11.322 4.269 -2.655 1.00 0.00 C ATOM 615 C MET A 37 -12.421 3.460 -1.968 1.00 0.00 C ATOM 616 O MET A 37 -12.621 2.286 -2.271 1.00 0.00 O ATOM 617 CB MET A 37 -11.192 3.850 -4.127 1.00 0.00 C ATOM 618 CG MET A 37 -12.510 3.852 -4.893 1.00 0.00 C ATOM 619 SD MET A 37 -12.326 4.363 -6.619 1.00 0.00 S ATOM 620 CE MET A 37 -10.915 3.387 -7.156 1.00 0.00 C ATOM 0 H MET A 37 -9.739 3.146 -1.858 1.00 0.00 H new ATOM 0 HA MET A 37 -11.597 5.323 -2.619 1.00 0.00 H new ATOM 0 HB2 MET A 37 -10.494 4.523 -4.625 1.00 0.00 H new ATOM 0 HB3 MET A 37 -10.759 2.851 -4.172 1.00 0.00 H new ATOM 0 HG2 MET A 37 -12.944 2.853 -4.860 1.00 0.00 H new ATOM 0 HG3 MET A 37 -13.212 4.521 -4.395 1.00 0.00 H new ATOM 0 HE1 MET A 37 -11.022 3.143 -8.213 1.00 0.00 H new ATOM 0 HE2 MET A 37 -9.999 3.959 -7.006 1.00 0.00 H new ATOM 0 HE3 MET A 37 -10.867 2.466 -6.575 1.00 0.00 H new ATOM 630 N PRO A 38 -13.142 4.085 -1.023 1.00 0.00 N ATOM 631 CA PRO A 38 -14.221 3.427 -0.282 1.00 0.00 C ATOM 632 C PRO A 38 -15.537 3.382 -1.059 1.00 0.00 C ATOM 633 O PRO A 38 -16.553 2.915 -0.543 1.00 0.00 O ATOM 634 CB PRO A 38 -14.360 4.310 0.956 1.00 0.00 C ATOM 635 CG PRO A 38 -13.999 5.675 0.478 1.00 0.00 C ATOM 636 CD PRO A 38 -12.957 5.486 -0.593 1.00 0.00 C ATOM 0 HA PRO A 38 -13.996 2.382 -0.069 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -15.375 4.283 1.352 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.697 3.980 1.756 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.873 6.192 0.083 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.611 6.283 1.295 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.103 6.181 -1.420 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.952 5.656 -0.207 1.00 0.00 H new ATOM 644 N GLU A 39 -15.518 3.865 -2.298 1.00 0.00 N ATOM 645 CA GLU A 39 -16.715 3.869 -3.133 1.00 0.00 C ATOM 646 C GLU A 39 -16.374 3.493 -4.568 1.00 0.00 C ATOM 647 O GLU A 39 -15.295 3.814 -5.064 1.00 0.00 O ATOM 648 CB GLU A 39 -17.385 5.245 -3.103 1.00 0.00 C ATOM 649 CG GLU A 39 -18.347 5.432 -1.941 1.00 0.00 C ATOM 650 CD GLU A 39 -17.650 5.895 -0.677 1.00 0.00 C ATOM 651 OE1 GLU A 39 -17.255 7.079 -0.616 1.00 0.00 O ATOM 652 OE2 GLU A 39 -17.497 5.074 0.252 1.00 0.00 O ATOM 0 H GLU A 39 -14.689 4.258 -2.745 1.00 0.00 H new ATOM 0 HA GLU A 39 -17.407 3.128 -2.732 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.614 6.014 -3.052 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.925 5.397 -4.038 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -19.109 6.160 -2.219 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -18.861 4.491 -1.744 1.00 0.00 H new ATOM 659 N LYS A 40 -17.303 2.816 -5.237 1.00 0.00 N ATOM 660 CA LYS A 40 -17.093 2.400 -6.620 1.00 0.00 C ATOM 661 C LYS A 40 -17.136 3.582 -7.575 1.00 0.00 C ATOM 662 O LYS A 40 -16.840 3.455 -8.763 1.00 0.00 O ATOM 663 CB LYS A 40 -18.113 1.338 -7.034 1.00 0.00 C ATOM 664 CG LYS A 40 -17.792 0.667 -8.362 1.00 0.00 C ATOM 665 CD LYS A 40 -18.644 1.227 -9.490 1.00 0.00 C ATOM 666 CE LYS A 40 -18.989 0.157 -10.515 1.00 0.00 C ATOM 667 NZ LYS A 40 -19.936 0.663 -11.546 1.00 0.00 N ATOM 0 H LYS A 40 -18.205 2.545 -4.846 1.00 0.00 H new ATOM 0 HA LYS A 40 -16.096 1.963 -6.678 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.168 0.577 -6.256 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -19.099 1.799 -7.099 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -16.737 0.809 -8.597 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -17.958 -0.407 -8.278 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -19.562 1.648 -9.079 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -18.111 2.042 -9.979 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -18.076 -0.190 -10.999 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -19.428 -0.703 -10.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -20.147 -0.095 -12.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -20.817 0.971 -11.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -19.507 1.467 -12.046 1.00 0.00 H new ATOM 681 N GLY A 41 -17.506 4.722 -7.036 1.00 0.00 N ATOM 682 CA GLY A 41 -17.595 5.937 -7.824 1.00 0.00 C ATOM 683 C GLY A 41 -16.314 6.749 -7.810 1.00 0.00 C ATOM 684 O GLY A 41 -15.710 6.981 -8.857 1.00 0.00 O ATOM 0 H GLY A 41 -17.751 4.836 -6.053 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -17.843 5.678 -8.853 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -18.412 6.551 -7.444 1.00 0.00 H new ATOM 688 N VAL A 42 -15.895 7.188 -6.625 1.00 0.00 N ATOM 689 CA VAL A 42 -14.681 7.986 -6.507 1.00 0.00 C ATOM 690 C VAL A 42 -13.949 7.723 -5.197 1.00 0.00 C ATOM 691 O VAL A 42 -14.570 7.508 -4.156 1.00 0.00 O ATOM 692 CB VAL A 42 -14.991 9.491 -6.607 1.00 0.00 C ATOM 693 CG1 VAL A 42 -13.707 10.292 -6.763 1.00 0.00 C ATOM 694 CG2 VAL A 42 -15.943 9.765 -7.761 1.00 0.00 C ATOM 0 H VAL A 42 -16.374 7.006 -5.743 1.00 0.00 H new ATOM 0 HA VAL A 42 -14.039 7.688 -7.335 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.477 9.805 -5.683 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.946 11.353 -6.832 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.064 10.120 -5.900 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -13.190 9.977 -7.669 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.150 10.834 -7.816 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.487 9.435 -8.695 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.875 9.222 -7.601 1.00 0.00 H new ATOM 704 N PHE A 43 -12.621 7.750 -5.257 1.00 0.00 N ATOM 705 CA PHE A 43 -11.799 7.520 -4.072 1.00 0.00 C ATOM 706 C PHE A 43 -12.018 8.617 -3.034 1.00 0.00 C ATOM 707 O PHE A 43 -12.646 9.637 -3.317 1.00 0.00 O ATOM 708 CB PHE A 43 -10.305 7.429 -4.424 1.00 0.00 C ATOM 709 CG PHE A 43 -9.921 8.125 -5.701 1.00 0.00 C ATOM 710 CD1 PHE A 43 -9.577 9.466 -5.701 1.00 0.00 C ATOM 711 CD2 PHE A 43 -9.907 7.432 -6.899 1.00 0.00 C ATOM 712 CE1 PHE A 43 -9.223 10.103 -6.874 1.00 0.00 C ATOM 713 CE2 PHE A 43 -9.555 8.064 -8.077 1.00 0.00 C ATOM 714 CZ PHE A 43 -9.213 9.402 -8.064 1.00 0.00 C ATOM 0 H PHE A 43 -12.092 7.928 -6.111 1.00 0.00 H new ATOM 0 HA PHE A 43 -12.109 6.564 -3.651 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.725 7.854 -3.605 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.026 6.378 -4.500 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.586 10.020 -4.774 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.174 6.386 -6.914 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.954 11.149 -6.861 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -9.547 7.513 -9.006 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.938 9.899 -8.983 1.00 0.00 H new ATOM 724 N ASP A 44 -11.493 8.400 -1.830 1.00 0.00 N ATOM 725 CA ASP A 44 -11.632 9.371 -0.748 1.00 0.00 C ATOM 726 C ASP A 44 -10.379 10.233 -0.622 1.00 0.00 C ATOM 727 O ASP A 44 -9.298 9.733 -0.319 1.00 0.00 O ATOM 728 CB ASP A 44 -11.909 8.656 0.575 1.00 0.00 C ATOM 729 CG ASP A 44 -12.893 9.416 1.444 1.00 0.00 C ATOM 730 OD1 ASP A 44 -12.638 10.604 1.729 1.00 0.00 O ATOM 731 OD2 ASP A 44 -13.919 8.823 1.837 1.00 0.00 O ATOM 0 H ASP A 44 -10.968 7.562 -1.580 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.474 10.021 -0.985 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.301 7.659 0.372 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.973 8.526 1.118 1.00 0.00 H new ATOM 736 N ASP A 45 -10.534 11.533 -0.857 1.00 0.00 N ATOM 737 CA ASP A 45 -9.416 12.470 -0.777 1.00 0.00 C ATOM 738 C ASP A 45 -8.759 12.445 0.603 1.00 0.00 C ATOM 739 O ASP A 45 -7.591 12.804 0.745 1.00 0.00 O ATOM 740 CB ASP A 45 -9.894 13.888 -1.093 1.00 0.00 C ATOM 741 CG ASP A 45 -8.753 14.810 -1.471 1.00 0.00 C ATOM 742 OD1 ASP A 45 -7.990 15.211 -0.567 1.00 0.00 O ATOM 743 OD2 ASP A 45 -8.619 15.130 -2.670 1.00 0.00 O ATOM 0 H ASP A 45 -11.425 11.963 -1.105 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.673 12.161 -1.512 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -10.615 13.852 -1.910 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -10.415 14.295 -0.226 1.00 0.00 H new ATOM 748 N GLU A 46 -9.512 12.027 1.619 1.00 0.00 N ATOM 749 CA GLU A 46 -8.987 11.970 2.980 1.00 0.00 C ATOM 750 C GLU A 46 -7.718 11.127 3.041 1.00 0.00 C ATOM 751 O GLU A 46 -6.704 11.551 3.598 1.00 0.00 O ATOM 752 CB GLU A 46 -10.040 11.407 3.938 1.00 0.00 C ATOM 753 CG GLU A 46 -10.437 9.971 3.638 1.00 0.00 C ATOM 754 CD GLU A 46 -11.590 9.495 4.499 1.00 0.00 C ATOM 755 OE1 GLU A 46 -11.828 10.104 5.562 1.00 0.00 O ATOM 756 OE2 GLU A 46 -12.258 8.514 4.108 1.00 0.00 O ATOM 0 H GLU A 46 -10.482 11.725 1.526 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.739 12.986 3.287 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.657 11.463 4.957 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.929 12.036 3.896 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.713 9.886 2.587 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.577 9.319 3.795 1.00 0.00 H new ATOM 763 N LYS A 47 -7.774 9.937 2.453 1.00 0.00 N ATOM 764 CA LYS A 47 -6.620 9.045 2.433 1.00 0.00 C ATOM 765 C LYS A 47 -5.605 9.520 1.400 1.00 0.00 C ATOM 766 O LYS A 47 -4.396 9.439 1.614 1.00 0.00 O ATOM 767 CB LYS A 47 -7.057 7.610 2.121 1.00 0.00 C ATOM 768 CG LYS A 47 -7.258 6.752 3.360 1.00 0.00 C ATOM 769 CD LYS A 47 -8.683 6.849 3.881 1.00 0.00 C ATOM 770 CE LYS A 47 -9.094 5.585 4.619 1.00 0.00 C ATOM 771 NZ LYS A 47 -8.765 5.657 6.070 1.00 0.00 N ATOM 0 H LYS A 47 -8.602 9.569 1.986 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.154 9.060 3.418 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.987 7.638 1.554 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.308 7.142 1.483 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.025 5.713 3.126 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.563 7.067 4.138 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.770 7.706 4.549 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.365 7.023 3.049 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.165 5.426 4.497 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.591 4.726 4.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.061 4.776 6.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.739 5.784 6.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.265 6.462 6.500 1.00 0.00 H new ATOM 785 N ILE A 48 -6.114 10.029 0.282 1.00 0.00 N ATOM 786 CA ILE A 48 -5.266 10.532 -0.792 1.00 0.00 C ATOM 787 C ILE A 48 -4.351 11.640 -0.282 1.00 0.00 C ATOM 788 O ILE A 48 -3.140 11.605 -0.497 1.00 0.00 O ATOM 789 CB ILE A 48 -6.119 11.076 -1.958 1.00 0.00 C ATOM 790 CG1 ILE A 48 -7.032 9.978 -2.505 1.00 0.00 C ATOM 791 CG2 ILE A 48 -5.237 11.637 -3.063 1.00 0.00 C ATOM 792 CD1 ILE A 48 -6.287 8.847 -3.179 1.00 0.00 C ATOM 0 H ILE A 48 -7.114 10.104 0.097 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.660 9.700 -1.150 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.739 11.888 -1.577 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.628 9.572 -1.687 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.728 10.419 -3.219 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.863 12.014 -3.872 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.629 12.450 -2.666 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.586 10.850 -3.444 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.000 8.107 -3.541 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.713 9.239 -4.018 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.611 8.379 -2.463 1.00 0.00 H new ATOM 804 N ALA A 49 -4.938 12.621 0.397 1.00 0.00 N ATOM 805 CA ALA A 49 -4.170 13.733 0.941 1.00 0.00 C ATOM 806 C ALA A 49 -3.136 13.228 1.936 1.00 0.00 C ATOM 807 O ALA A 49 -1.979 13.647 1.916 1.00 0.00 O ATOM 808 CB ALA A 49 -5.096 14.745 1.600 1.00 0.00 C ATOM 0 H ALA A 49 -5.940 12.668 0.583 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.647 14.227 0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.507 15.570 2.001 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.801 15.128 0.862 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.645 14.263 2.409 1.00 0.00 H new ATOM 814 N GLU A 50 -3.560 12.311 2.800 1.00 0.00 N ATOM 815 CA GLU A 50 -2.672 11.731 3.798 1.00 0.00 C ATOM 816 C GLU A 50 -1.548 10.954 3.121 1.00 0.00 C ATOM 817 O GLU A 50 -0.404 10.973 3.575 1.00 0.00 O ATOM 818 CB GLU A 50 -3.460 10.812 4.737 1.00 0.00 C ATOM 819 CG GLU A 50 -2.582 9.953 5.637 1.00 0.00 C ATOM 820 CD GLU A 50 -2.968 10.053 7.099 1.00 0.00 C ATOM 821 OE1 GLU A 50 -4.168 10.254 7.384 1.00 0.00 O ATOM 822 OE2 GLU A 50 -2.071 9.930 7.960 1.00 0.00 O ATOM 0 H GLU A 50 -4.515 11.954 2.828 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.233 12.538 4.384 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.116 11.421 5.359 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.099 10.161 4.141 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.650 8.913 5.318 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.542 10.256 5.519 1.00 0.00 H new ATOM 829 N LEU A 51 -1.884 10.271 2.030 1.00 0.00 N ATOM 830 CA LEU A 51 -0.904 9.490 1.291 1.00 0.00 C ATOM 831 C LEU A 51 0.208 10.388 0.763 1.00 0.00 C ATOM 832 O LEU A 51 1.387 10.148 1.020 1.00 0.00 O ATOM 833 CB LEU A 51 -1.574 8.755 0.130 1.00 0.00 C ATOM 834 CG LEU A 51 -0.634 7.906 -0.725 1.00 0.00 C ATOM 835 CD1 LEU A 51 0.194 6.984 0.153 1.00 0.00 C ATOM 836 CD2 LEU A 51 -1.422 7.103 -1.745 1.00 0.00 C ATOM 0 H LEU A 51 -2.826 10.244 1.641 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.470 8.757 1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.357 8.111 0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.062 9.489 -0.512 1.00 0.00 H new ATOM 0 HG LEU A 51 0.042 8.573 -1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.858 6.386 -0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.787 7.579 0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.468 6.324 0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.737 6.504 -2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.121 6.445 -1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.974 7.782 -2.394 1.00 0.00 H new ATOM 848 N LEU A 52 -0.176 11.431 0.031 1.00 0.00 N ATOM 849 CA LEU A 52 0.780 12.372 -0.525 1.00 0.00 C ATOM 850 C LEU A 52 1.745 12.874 0.542 1.00 0.00 C ATOM 851 O LEU A 52 2.950 12.968 0.313 1.00 0.00 O ATOM 852 CB LEU A 52 0.030 13.517 -1.143 1.00 0.00 C ATOM 853 CG LEU A 52 -0.868 13.081 -2.285 1.00 0.00 C ATOM 854 CD1 LEU A 52 -1.546 14.279 -2.855 1.00 0.00 C ATOM 855 CD2 LEU A 52 -0.070 12.352 -3.355 1.00 0.00 C ATOM 0 H LEU A 52 -1.149 11.642 -0.189 1.00 0.00 H new ATOM 0 HA LEU A 52 1.375 11.868 -1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.573 14.006 -0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.742 14.257 -1.508 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.618 12.387 -1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.194 13.974 -3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.144 14.761 -2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.797 14.980 -3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.736 12.050 -4.163 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.701 13.015 -3.749 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.398 11.469 -2.921 1.00 0.00 H new ATOM 867 N THR A 53 1.200 13.177 1.716 1.00 0.00 N ATOM 868 CA THR A 53 2.008 13.652 2.830 1.00 0.00 C ATOM 869 C THR A 53 2.959 12.557 3.294 1.00 0.00 C ATOM 870 O THR A 53 4.091 12.829 3.696 1.00 0.00 O ATOM 871 CB THR A 53 1.112 14.093 3.989 1.00 0.00 C ATOM 872 OG1 THR A 53 0.209 15.102 3.571 1.00 0.00 O ATOM 873 CG2 THR A 53 1.886 14.633 5.172 1.00 0.00 C ATOM 0 H THR A 53 0.203 13.102 1.919 1.00 0.00 H new ATOM 0 HA THR A 53 2.592 14.509 2.494 1.00 0.00 H new ATOM 0 HB THR A 53 0.582 13.193 4.301 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.517 14.697 3.052 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.191 14.927 5.958 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.556 13.862 5.551 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.469 15.499 4.860 1.00 0.00 H new ATOM 881 N LYS A 54 2.491 11.314 3.225 1.00 0.00 N ATOM 882 CA LYS A 54 3.296 10.169 3.625 1.00 0.00 C ATOM 883 C LYS A 54 4.507 10.027 2.708 1.00 0.00 C ATOM 884 O LYS A 54 5.612 9.731 3.162 1.00 0.00 O ATOM 885 CB LYS A 54 2.456 8.891 3.595 1.00 0.00 C ATOM 886 CG LYS A 54 2.702 7.977 4.784 1.00 0.00 C ATOM 887 CD LYS A 54 1.497 7.096 5.065 1.00 0.00 C ATOM 888 CE LYS A 54 1.777 6.111 6.189 1.00 0.00 C ATOM 889 NZ LYS A 54 1.244 6.591 7.494 1.00 0.00 N ATOM 0 H LYS A 54 1.556 11.076 2.895 1.00 0.00 H new ATOM 0 HA LYS A 54 3.647 10.331 4.644 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.400 9.160 3.566 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.671 8.345 2.676 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.574 7.352 4.590 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.929 8.577 5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.643 7.719 5.330 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.225 6.551 4.161 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.330 5.147 5.947 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.852 5.952 6.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.014 6.622 8.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.844 7.544 7.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.502 5.943 7.825 1.00 0.00 H new ATOM 903 N LEU A 55 4.290 10.259 1.417 1.00 0.00 N ATOM 904 CA LEU A 55 5.362 10.174 0.432 1.00 0.00 C ATOM 905 C LEU A 55 6.476 11.159 0.768 1.00 0.00 C ATOM 906 O LEU A 55 7.658 10.818 0.729 1.00 0.00 O ATOM 907 CB LEU A 55 4.817 10.474 -0.964 1.00 0.00 C ATOM 908 CG LEU A 55 3.857 9.429 -1.544 1.00 0.00 C ATOM 909 CD1 LEU A 55 4.097 9.275 -3.031 1.00 0.00 C ATOM 910 CD2 LEU A 55 4.012 8.083 -0.847 1.00 0.00 C ATOM 0 H LEU A 55 3.380 10.508 1.029 1.00 0.00 H new ATOM 0 HA LEU A 55 5.767 9.162 0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.303 11.435 -0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.660 10.584 -1.647 1.00 0.00 H new ATOM 0 HG LEU A 55 2.838 9.778 -1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.411 8.531 -3.435 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.929 10.231 -3.528 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.124 8.953 -3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.317 7.365 -1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.033 7.723 -0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.798 8.197 0.216 1.00 0.00 H new ATOM 922 N GLY A 56 6.081 12.384 1.101 1.00 0.00 N ATOM 923 CA GLY A 56 7.043 13.416 1.440 1.00 0.00 C ATOM 924 C GLY A 56 6.430 14.801 1.382 1.00 0.00 C ATOM 925 O GLY A 56 5.586 15.149 2.209 1.00 0.00 O ATOM 0 H GLY A 56 5.106 12.681 1.142 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.434 13.233 2.441 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.888 13.364 0.754 1.00 0.00 H new ATOM 929 N ARG A 57 6.851 15.592 0.402 1.00 0.00 N ATOM 930 CA ARG A 57 6.332 16.944 0.232 1.00 0.00 C ATOM 931 C ARG A 57 6.370 17.353 -1.236 1.00 0.00 C ATOM 932 O ARG A 57 6.562 18.524 -1.563 1.00 0.00 O ATOM 933 CB ARG A 57 7.133 17.935 1.077 1.00 0.00 C ATOM 934 CG ARG A 57 8.587 18.063 0.652 1.00 0.00 C ATOM 935 CD ARG A 57 9.297 19.168 1.416 1.00 0.00 C ATOM 936 NE ARG A 57 10.182 19.948 0.554 1.00 0.00 N ATOM 937 CZ ARG A 57 10.630 21.165 0.858 1.00 0.00 C ATOM 938 NH1 ARG A 57 10.279 21.743 1.999 1.00 0.00 N ATOM 939 NH2 ARG A 57 11.432 21.804 0.018 1.00 0.00 N ATOM 0 H ARG A 57 7.551 15.320 -0.288 1.00 0.00 H new ATOM 0 HA ARG A 57 5.295 16.956 0.569 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.659 18.915 1.019 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.095 17.623 2.121 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.100 17.116 0.819 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.638 18.268 -0.417 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.558 19.828 1.869 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.876 18.732 2.230 1.00 0.00 H new ATOM 0 HE ARG A 57 10.474 19.536 -0.332 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.663 21.255 2.649 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.625 22.675 2.226 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.706 21.364 -0.860 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.775 22.736 0.250 1.00 0.00 H new ATOM 953 N ASP A 58 6.186 16.374 -2.111 1.00 0.00 N ATOM 954 CA ASP A 58 6.196 16.611 -3.548 1.00 0.00 C ATOM 955 C ASP A 58 4.862 16.187 -4.169 1.00 0.00 C ATOM 956 O ASP A 58 3.812 16.299 -3.535 1.00 0.00 O ATOM 957 CB ASP A 58 7.364 15.852 -4.191 1.00 0.00 C ATOM 958 CG ASP A 58 8.656 16.011 -3.414 1.00 0.00 C ATOM 959 OD1 ASP A 58 8.858 15.259 -2.436 1.00 0.00 O ATOM 960 OD2 ASP A 58 9.467 16.885 -3.782 1.00 0.00 O ATOM 0 H ASP A 58 6.027 15.401 -1.848 1.00 0.00 H new ATOM 0 HA ASP A 58 6.329 17.677 -3.733 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.112 14.794 -4.259 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.510 16.211 -5.210 1.00 0.00 H new ATOM 965 N THR A 59 4.908 15.697 -5.405 1.00 0.00 N ATOM 966 CA THR A 59 3.705 15.254 -6.099 1.00 0.00 C ATOM 967 C THR A 59 3.808 13.778 -6.468 1.00 0.00 C ATOM 968 O THR A 59 4.872 13.172 -6.345 1.00 0.00 O ATOM 969 CB THR A 59 3.479 16.091 -7.360 1.00 0.00 C ATOM 970 OG1 THR A 59 2.318 15.657 -8.047 1.00 0.00 O ATOM 971 CG2 THR A 59 4.636 16.032 -8.333 1.00 0.00 C ATOM 0 H THR A 59 5.767 15.597 -5.946 1.00 0.00 H new ATOM 0 HA THR A 59 2.857 15.387 -5.427 1.00 0.00 H new ATOM 0 HB THR A 59 3.372 17.118 -7.010 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.189 16.205 -8.849 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.410 16.647 -9.204 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.538 16.406 -7.849 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.794 15.001 -8.648 1.00 0.00 H new ATOM 979 N GLN A 60 2.701 13.203 -6.928 1.00 0.00 N ATOM 980 CA GLN A 60 2.678 11.798 -7.319 1.00 0.00 C ATOM 981 C GLN A 60 2.720 11.664 -8.836 1.00 0.00 C ATOM 982 O GLN A 60 1.698 11.778 -9.514 1.00 0.00 O ATOM 983 CB GLN A 60 1.436 11.090 -6.767 1.00 0.00 C ATOM 984 CG GLN A 60 0.237 12.003 -6.550 1.00 0.00 C ATOM 985 CD GLN A 60 -0.312 12.566 -7.846 1.00 0.00 C ATOM 986 OE1 GLN A 60 0.229 13.524 -8.399 1.00 0.00 O ATOM 987 NE2 GLN A 60 -1.395 11.975 -8.336 1.00 0.00 N ATOM 0 H GLN A 60 1.810 13.687 -7.039 1.00 0.00 H new ATOM 0 HA GLN A 60 3.562 11.322 -6.895 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.151 10.293 -7.454 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.693 10.617 -5.819 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.549 11.448 -6.038 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.525 12.825 -5.895 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.811 11.184 -7.845 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.811 12.312 -9.204 1.00 0.00 H new ATOM 996 N ILE A 61 3.911 11.411 -9.356 1.00 0.00 N ATOM 997 CA ILE A 61 4.110 11.252 -10.792 1.00 0.00 C ATOM 998 C ILE A 61 3.730 9.851 -11.247 1.00 0.00 C ATOM 999 O ILE A 61 4.575 8.960 -11.324 1.00 0.00 O ATOM 1000 CB ILE A 61 5.572 11.531 -11.193 1.00 0.00 C ATOM 1001 CG1 ILE A 61 6.530 10.721 -10.317 1.00 0.00 C ATOM 1002 CG2 ILE A 61 5.876 13.019 -11.086 1.00 0.00 C ATOM 1003 CD1 ILE A 61 7.698 10.137 -11.081 1.00 0.00 C ATOM 0 H ILE A 61 4.761 11.310 -8.802 1.00 0.00 H new ATOM 0 HA ILE A 61 3.462 11.979 -11.282 1.00 0.00 H new ATOM 0 HB ILE A 61 5.713 11.225 -12.230 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.910 11.361 -9.521 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.977 9.912 -9.840 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.912 13.200 -11.372 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.214 13.574 -11.750 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.720 13.349 -10.059 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.336 9.576 -10.398 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.327 9.471 -11.860 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.274 10.942 -11.536 1.00 0.00 H new ATOM 1015 N GLY A 62 2.451 9.662 -11.549 1.00 0.00 N ATOM 1016 CA GLY A 62 1.981 8.366 -11.993 1.00 0.00 C ATOM 1017 C GLY A 62 2.013 7.334 -10.886 1.00 0.00 C ATOM 1018 O GLY A 62 2.181 6.141 -11.142 1.00 0.00 O ATOM 0 H GLY A 62 1.732 10.384 -11.494 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.962 8.461 -12.369 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.597 8.023 -12.824 1.00 0.00 H new ATOM 1022 N LEU A 63 1.856 7.795 -9.648 1.00 0.00 N ATOM 1023 CA LEU A 63 1.864 6.907 -8.489 1.00 0.00 C ATOM 1024 C LEU A 63 0.982 5.685 -8.720 1.00 0.00 C ATOM 1025 O LEU A 63 0.018 5.738 -9.485 1.00 0.00 O ATOM 1026 CB LEU A 63 1.399 7.657 -7.247 1.00 0.00 C ATOM 1027 CG LEU A 63 1.506 6.858 -5.954 1.00 0.00 C ATOM 1028 CD1 LEU A 63 1.942 7.754 -4.810 1.00 0.00 C ATOM 1029 CD2 LEU A 63 0.184 6.184 -5.647 1.00 0.00 C ATOM 0 H LEU A 63 1.721 8.780 -9.421 1.00 0.00 H new ATOM 0 HA LEU A 63 2.887 6.563 -8.339 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.987 8.569 -7.146 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.362 7.961 -7.388 1.00 0.00 H new ATOM 0 HG LEU A 63 2.263 6.084 -6.079 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.013 7.167 -3.895 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.915 8.189 -5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.211 8.551 -4.674 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.272 5.616 -4.721 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.593 6.940 -5.536 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.079 5.510 -6.463 1.00 0.00 H new ATOM 1041 N THR A 64 1.317 4.584 -8.055 1.00 0.00 N ATOM 1042 CA THR A 64 0.554 3.351 -8.198 1.00 0.00 C ATOM 1043 C THR A 64 0.182 2.757 -6.841 1.00 0.00 C ATOM 1044 O THR A 64 0.724 3.144 -5.806 1.00 0.00 O ATOM 1045 CB THR A 64 1.351 2.330 -9.010 1.00 0.00 C ATOM 1046 OG1 THR A 64 2.647 2.155 -8.465 1.00 0.00 O ATOM 1047 CG2 THR A 64 1.514 2.718 -10.464 1.00 0.00 C ATOM 0 H THR A 64 2.108 4.521 -7.415 1.00 0.00 H new ATOM 0 HA THR A 64 -0.370 3.594 -8.723 1.00 0.00 H new ATOM 0 HB THR A 64 0.773 1.407 -8.958 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.140 1.497 -8.998 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.089 1.951 -10.983 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.532 2.812 -10.928 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.039 3.671 -10.530 1.00 0.00 H new ATOM 1055 N MET A 65 -0.747 1.807 -6.865 1.00 0.00 N ATOM 1056 CA MET A 65 -1.204 1.145 -5.653 1.00 0.00 C ATOM 1057 C MET A 65 -1.062 -0.368 -5.781 1.00 0.00 C ATOM 1058 O MET A 65 -1.049 -0.903 -6.890 1.00 0.00 O ATOM 1059 CB MET A 65 -2.663 1.513 -5.372 1.00 0.00 C ATOM 1060 CG MET A 65 -2.929 3.009 -5.415 1.00 0.00 C ATOM 1061 SD MET A 65 -3.659 3.539 -6.977 1.00 0.00 S ATOM 1062 CE MET A 65 -3.452 5.314 -6.863 1.00 0.00 C ATOM 0 H MET A 65 -1.200 1.478 -7.718 1.00 0.00 H new ATOM 0 HA MET A 65 -0.585 1.481 -4.821 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.302 1.017 -6.103 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.944 1.130 -4.391 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.596 3.279 -4.596 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.994 3.545 -5.255 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.856 5.786 -7.759 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.982 5.686 -5.986 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.392 5.552 -6.775 1.00 0.00 H new ATOM 1072 N PRO A 66 -0.938 -1.084 -4.650 1.00 0.00 N ATOM 1073 CA PRO A 66 -0.942 -0.505 -3.307 1.00 0.00 C ATOM 1074 C PRO A 66 0.427 0.014 -2.880 1.00 0.00 C ATOM 1075 O PRO A 66 1.457 -0.587 -3.186 1.00 0.00 O ATOM 1076 CB PRO A 66 -1.363 -1.682 -2.411 1.00 0.00 C ATOM 1077 CG PRO A 66 -1.557 -2.850 -3.328 1.00 0.00 C ATOM 1078 CD PRO A 66 -0.797 -2.534 -4.581 1.00 0.00 C ATOM 0 HA PRO A 66 -1.602 0.360 -3.248 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.599 -1.896 -1.663 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.282 -1.453 -1.872 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.188 -3.768 -2.871 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.614 -3.004 -3.543 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.247 -2.842 -4.516 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.222 -3.029 -5.454 1.00 0.00 H new ATOM 1086 N GLN A 67 0.427 1.125 -2.148 1.00 0.00 N ATOM 1087 CA GLN A 67 1.662 1.721 -1.655 1.00 0.00 C ATOM 1088 C GLN A 67 1.842 1.411 -0.172 1.00 0.00 C ATOM 1089 O GLN A 67 0.934 1.630 0.626 1.00 0.00 O ATOM 1090 CB GLN A 67 1.648 3.232 -1.880 1.00 0.00 C ATOM 1091 CG GLN A 67 2.197 3.651 -3.234 1.00 0.00 C ATOM 1092 CD GLN A 67 3.439 4.513 -3.122 1.00 0.00 C ATOM 1093 OE1 GLN A 67 3.603 5.265 -2.161 1.00 0.00 O ATOM 1094 NE2 GLN A 67 4.325 4.405 -4.105 1.00 0.00 N ATOM 0 H GLN A 67 -0.418 1.631 -1.883 1.00 0.00 H new ATOM 0 HA GLN A 67 2.499 1.294 -2.206 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.625 3.596 -1.784 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.232 3.713 -1.096 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.429 2.761 -3.818 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.428 4.198 -3.779 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.149 3.769 -4.883 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.182 4.958 -4.082 1.00 0.00 H new ATOM 1103 N VAL A 68 3.007 0.887 0.192 1.00 0.00 N ATOM 1104 CA VAL A 68 3.274 0.540 1.581 1.00 0.00 C ATOM 1105 C VAL A 68 4.129 1.591 2.282 1.00 0.00 C ATOM 1106 O VAL A 68 4.808 2.391 1.639 1.00 0.00 O ATOM 1107 CB VAL A 68 3.967 -0.834 1.701 1.00 0.00 C ATOM 1108 CG1 VAL A 68 3.925 -1.331 3.138 1.00 0.00 C ATOM 1109 CG2 VAL A 68 3.323 -1.844 0.762 1.00 0.00 C ATOM 0 H VAL A 68 3.776 0.695 -0.450 1.00 0.00 H new ATOM 0 HA VAL A 68 2.301 0.496 2.071 1.00 0.00 H new ATOM 0 HB VAL A 68 5.011 -0.718 1.411 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.418 -2.301 3.202 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.438 -0.619 3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.888 -1.430 3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.826 -2.806 0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.269 -1.957 1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.412 -1.493 -0.266 1.00 0.00 H new ATOM 1119 N PHE A 69 4.085 1.573 3.612 1.00 0.00 N ATOM 1120 CA PHE A 69 4.845 2.513 4.427 1.00 0.00 C ATOM 1121 C PHE A 69 5.351 1.831 5.693 1.00 0.00 C ATOM 1122 O PHE A 69 4.826 0.796 6.102 1.00 0.00 O ATOM 1123 CB PHE A 69 3.972 3.708 4.795 1.00 0.00 C ATOM 1124 CG PHE A 69 3.592 4.534 3.611 1.00 0.00 C ATOM 1125 CD1 PHE A 69 4.422 5.545 3.171 1.00 0.00 C ATOM 1126 CD2 PHE A 69 2.411 4.292 2.931 1.00 0.00 C ATOM 1127 CE1 PHE A 69 4.083 6.306 2.072 1.00 0.00 C ATOM 1128 CE2 PHE A 69 2.064 5.048 1.830 1.00 0.00 C ATOM 1129 CZ PHE A 69 2.902 6.057 1.400 1.00 0.00 C ATOM 0 H PHE A 69 3.526 0.911 4.150 1.00 0.00 H new ATOM 0 HA PHE A 69 5.702 2.860 3.850 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.068 3.353 5.290 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.503 4.333 5.513 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.347 5.742 3.693 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.754 3.503 3.266 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.740 7.095 1.737 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.140 4.851 1.307 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.635 6.651 0.539 1.00 0.00 H new ATOM 1139 N ALA A 70 6.381 2.406 6.303 1.00 0.00 N ATOM 1140 CA ALA A 70 6.962 1.837 7.516 1.00 0.00 C ATOM 1141 C ALA A 70 6.011 1.986 8.706 1.00 0.00 C ATOM 1142 O ALA A 70 5.309 2.991 8.819 1.00 0.00 O ATOM 1143 CB ALA A 70 8.293 2.507 7.825 1.00 0.00 C ATOM 0 H ALA A 70 6.831 3.263 5.980 1.00 0.00 H new ATOM 0 HA ALA A 70 7.128 0.773 7.344 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.716 2.074 8.731 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.980 2.352 6.993 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.137 3.576 7.972 1.00 0.00 H new ATOM 1149 N PRO A 71 5.986 0.990 9.618 1.00 0.00 N ATOM 1150 CA PRO A 71 5.138 1.009 10.813 1.00 0.00 C ATOM 1151 C PRO A 71 5.031 2.400 11.429 1.00 0.00 C ATOM 1152 O PRO A 71 4.003 2.761 12.002 1.00 0.00 O ATOM 1153 CB PRO A 71 5.850 0.044 11.779 1.00 0.00 C ATOM 1154 CG PRO A 71 7.031 -0.507 11.033 1.00 0.00 C ATOM 1155 CD PRO A 71 6.798 -0.224 9.576 1.00 0.00 C ATOM 0 HA PRO A 71 4.112 0.721 10.585 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.169 0.564 12.682 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.180 -0.757 12.092 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.955 -0.040 11.374 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.132 -1.578 11.207 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.733 -0.069 9.038 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.278 -1.044 9.081 1.00 0.00 H new ATOM 1163 N ASP A 72 6.099 3.175 11.299 1.00 0.00 N ATOM 1164 CA ASP A 72 6.136 4.530 11.831 1.00 0.00 C ATOM 1165 C ASP A 72 7.384 5.251 11.341 1.00 0.00 C ATOM 1166 O ASP A 72 7.989 6.037 12.070 1.00 0.00 O ATOM 1167 CB ASP A 72 6.104 4.503 13.360 1.00 0.00 C ATOM 1168 CG ASP A 72 4.893 5.219 13.926 1.00 0.00 C ATOM 1169 OD1 ASP A 72 3.771 4.686 13.793 1.00 0.00 O ATOM 1170 OD2 ASP A 72 5.066 6.313 14.503 1.00 0.00 O ATOM 0 H ASP A 72 6.956 2.886 10.827 1.00 0.00 H new ATOM 0 HA ASP A 72 5.258 5.069 11.476 1.00 0.00 H new ATOM 0 HB2 ASP A 72 6.104 3.468 13.702 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.011 4.967 13.748 1.00 0.00 H new ATOM 1175 N GLY A 73 7.770 4.967 10.100 1.00 0.00 N ATOM 1176 CA GLY A 73 8.954 5.587 9.528 1.00 0.00 C ATOM 1177 C GLY A 73 8.672 6.311 8.227 1.00 0.00 C ATOM 1178 O GLY A 73 8.031 7.362 8.220 1.00 0.00 O ATOM 0 H GLY A 73 7.284 4.319 9.480 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.372 6.292 10.247 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.711 4.822 9.355 1.00 0.00 H new ATOM 1182 N SER A 74 9.164 5.751 7.127 1.00 0.00 N ATOM 1183 CA SER A 74 8.974 6.351 5.808 1.00 0.00 C ATOM 1184 C SER A 74 8.391 5.347 4.821 1.00 0.00 C ATOM 1185 O SER A 74 8.026 4.230 5.190 1.00 0.00 O ATOM 1186 CB SER A 74 10.307 6.884 5.277 1.00 0.00 C ATOM 1187 OG SER A 74 11.017 7.579 6.288 1.00 0.00 O ATOM 0 H SER A 74 9.698 4.882 7.121 1.00 0.00 H new ATOM 0 HA SER A 74 8.268 7.175 5.913 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.912 6.056 4.907 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.126 7.549 4.433 1.00 0.00 H new ATOM 0 HG SER A 74 11.866 7.908 5.925 1.00 0.00 H new ATOM 1193 N HIS A 75 8.300 5.765 3.565 1.00 0.00 N ATOM 1194 CA HIS A 75 7.758 4.927 2.502 1.00 0.00 C ATOM 1195 C HIS A 75 8.712 3.784 2.162 1.00 0.00 C ATOM 1196 O HIS A 75 9.923 3.981 2.075 1.00 0.00 O ATOM 1197 CB HIS A 75 7.497 5.787 1.264 1.00 0.00 C ATOM 1198 CG HIS A 75 6.922 5.036 0.104 1.00 0.00 C ATOM 1199 ND1 HIS A 75 7.580 4.850 -1.091 1.00 0.00 N ATOM 1200 CD2 HIS A 75 5.714 4.434 -0.036 1.00 0.00 C ATOM 1201 CE1 HIS A 75 6.769 4.163 -1.905 1.00 0.00 C ATOM 1202 NE2 HIS A 75 5.624 3.882 -1.312 1.00 0.00 N ATOM 0 H HIS A 75 8.598 6.690 3.255 1.00 0.00 H new ATOM 0 HA HIS A 75 6.822 4.487 2.845 1.00 0.00 H new ATOM 0 HB2 HIS A 75 6.816 6.594 1.533 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.433 6.251 0.954 1.00 0.00 H new ATOM 0 HD1 HIS A 75 8.519 5.178 -1.316 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.945 4.390 0.721 1.00 0.00 H new ATOM 0 HE1 HIS A 75 7.019 3.876 -2.916 1.00 0.00 H new ATOM 1210 N ILE A 76 8.156 2.589 1.973 1.00 0.00 N ATOM 1211 CA ILE A 76 8.958 1.413 1.644 1.00 0.00 C ATOM 1212 C ILE A 76 8.717 0.982 0.198 1.00 0.00 C ATOM 1213 O ILE A 76 9.614 0.458 -0.461 1.00 0.00 O ATOM 1214 CB ILE A 76 8.657 0.240 2.611 1.00 0.00 C ATOM 1215 CG1 ILE A 76 9.278 0.517 3.980 1.00 0.00 C ATOM 1216 CG2 ILE A 76 9.170 -1.086 2.064 1.00 0.00 C ATOM 1217 CD1 ILE A 76 8.254 0.774 5.057 1.00 0.00 C ATOM 0 H ILE A 76 7.154 2.410 2.042 1.00 0.00 H new ATOM 0 HA ILE A 76 10.007 1.686 1.757 1.00 0.00 H new ATOM 0 HB ILE A 76 7.575 0.162 2.712 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.895 -0.333 4.270 1.00 0.00 H new ATOM 0 HG13 ILE A 76 9.940 1.380 3.904 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.940 -1.884 2.770 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.688 -1.296 1.109 1.00 0.00 H new ATOM 0 HG23 ILE A 76 10.249 -1.028 1.921 1.00 0.00 H new ATOM 0 HD11 ILE A 76 8.761 0.963 6.003 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.652 1.642 4.787 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.608 -0.098 5.160 1.00 0.00 H new ATOM 1229 N GLY A 77 7.502 1.215 -0.293 1.00 0.00 N ATOM 1230 CA GLY A 77 7.177 0.854 -1.662 1.00 0.00 C ATOM 1231 C GLY A 77 6.072 -0.176 -1.761 1.00 0.00 C ATOM 1232 O GLY A 77 5.253 -0.314 -0.853 1.00 0.00 O ATOM 0 H GLY A 77 6.740 1.646 0.231 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.879 1.750 -2.206 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.071 0.466 -2.151 1.00 0.00 H new ATOM 1236 N GLY A 78 6.048 -0.894 -2.878 1.00 0.00 N ATOM 1237 CA GLY A 78 5.035 -1.910 -3.090 1.00 0.00 C ATOM 1238 C GLY A 78 5.573 -3.309 -2.865 1.00 0.00 C ATOM 1239 O GLY A 78 6.114 -3.606 -1.801 1.00 0.00 O ATOM 0 H GLY A 78 6.715 -0.790 -3.643 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.197 -1.732 -2.416 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.649 -1.830 -4.106 1.00 0.00 H new ATOM 1243 N PHE A 79 5.430 -4.171 -3.868 1.00 0.00 N ATOM 1244 CA PHE A 79 5.912 -5.543 -3.763 1.00 0.00 C ATOM 1245 C PHE A 79 7.413 -5.623 -4.013 1.00 0.00 C ATOM 1246 O PHE A 79 8.183 -5.862 -3.087 1.00 0.00 O ATOM 1247 CB PHE A 79 5.162 -6.452 -4.734 1.00 0.00 C ATOM 1248 CG PHE A 79 5.020 -7.852 -4.221 1.00 0.00 C ATOM 1249 CD1 PHE A 79 6.110 -8.507 -3.681 1.00 0.00 C ATOM 1250 CD2 PHE A 79 3.806 -8.509 -4.273 1.00 0.00 C ATOM 1251 CE1 PHE A 79 5.995 -9.795 -3.202 1.00 0.00 C ATOM 1252 CE2 PHE A 79 3.683 -9.797 -3.794 1.00 0.00 C ATOM 1253 CZ PHE A 79 4.779 -10.442 -3.261 1.00 0.00 C ATOM 0 H PHE A 79 4.986 -3.944 -4.758 1.00 0.00 H new ATOM 0 HA PHE A 79 5.722 -5.885 -2.746 1.00 0.00 H new ATOM 0 HB2 PHE A 79 4.172 -6.037 -4.924 1.00 0.00 H new ATOM 0 HB3 PHE A 79 5.688 -6.471 -5.688 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.064 -8.004 -3.633 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.945 -8.010 -4.693 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.855 -10.295 -2.782 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.728 -10.300 -3.837 1.00 0.00 H new ATOM 0 HZ PHE A 79 4.685 -11.452 -2.890 1.00 0.00 H new ATOM 1263 N ASP A 80 7.833 -5.413 -5.257 1.00 0.00 N ATOM 1264 CA ASP A 80 9.254 -5.469 -5.595 1.00 0.00 C ATOM 1265 C ASP A 80 10.062 -4.567 -4.668 1.00 0.00 C ATOM 1266 O ASP A 80 11.087 -4.975 -4.115 1.00 0.00 O ATOM 1267 CB ASP A 80 9.474 -5.048 -7.050 1.00 0.00 C ATOM 1268 CG ASP A 80 10.869 -5.384 -7.540 1.00 0.00 C ATOM 1269 OD1 ASP A 80 11.776 -4.543 -7.372 1.00 0.00 O ATOM 1270 OD2 ASP A 80 11.054 -6.491 -8.091 1.00 0.00 O ATOM 0 H ASP A 80 7.217 -5.204 -6.043 1.00 0.00 H new ATOM 0 HA ASP A 80 9.593 -6.497 -5.468 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.739 -5.543 -7.685 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.306 -3.975 -7.145 1.00 0.00 H new ATOM 1275 N GLN A 81 9.587 -3.338 -4.502 1.00 0.00 N ATOM 1276 CA GLN A 81 10.256 -2.369 -3.643 1.00 0.00 C ATOM 1277 C GLN A 81 10.385 -2.907 -2.224 1.00 0.00 C ATOM 1278 O GLN A 81 11.444 -2.802 -1.604 1.00 0.00 O ATOM 1279 CB GLN A 81 9.486 -1.047 -3.628 1.00 0.00 C ATOM 1280 CG GLN A 81 9.215 -0.481 -5.013 1.00 0.00 C ATOM 1281 CD GLN A 81 10.340 0.405 -5.509 1.00 0.00 C ATOM 1282 OE1 GLN A 81 10.693 1.396 -4.870 1.00 0.00 O ATOM 1283 NE2 GLN A 81 10.910 0.050 -6.655 1.00 0.00 N ATOM 0 H GLN A 81 8.740 -2.989 -4.951 1.00 0.00 H new ATOM 0 HA GLN A 81 11.254 -2.194 -4.044 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.536 -1.196 -3.114 1.00 0.00 H new ATOM 0 HB3 GLN A 81 10.050 -0.315 -3.050 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.067 -1.302 -5.715 1.00 0.00 H new ATOM 0 HG3 GLN A 81 8.288 0.092 -4.993 1.00 0.00 H new ATOM 0 HE21 GLN A 81 10.585 -0.780 -7.151 1.00 0.00 H new ATOM 0 HE22 GLN A 81 11.673 0.607 -7.039 1.00 0.00 H new ATOM 1292 N LEU A 82 9.303 -3.485 -1.713 1.00 0.00 N ATOM 1293 CA LEU A 82 9.305 -4.038 -0.367 1.00 0.00 C ATOM 1294 C LEU A 82 10.080 -5.346 -0.304 1.00 0.00 C ATOM 1295 O LEU A 82 10.719 -5.645 0.702 1.00 0.00 O ATOM 1296 CB LEU A 82 7.890 -4.247 0.138 1.00 0.00 C ATOM 1297 CG LEU A 82 7.841 -4.819 1.544 1.00 0.00 C ATOM 1298 CD1 LEU A 82 6.841 -4.078 2.408 1.00 0.00 C ATOM 1299 CD2 LEU A 82 7.526 -6.294 1.484 1.00 0.00 C ATOM 0 H LEU A 82 8.417 -3.582 -2.210 1.00 0.00 H new ATOM 0 HA LEU A 82 9.803 -3.314 0.278 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.359 -3.295 0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.363 -4.918 -0.540 1.00 0.00 H new ATOM 0 HG LEU A 82 8.819 -4.689 2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.831 -4.513 3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.124 -3.027 2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.848 -4.160 1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.492 -6.700 2.495 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.560 -6.440 1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.299 -6.808 0.912 1.00 0.00 H new ATOM 1311 N ARG A 83 10.050 -6.115 -1.386 1.00 0.00 N ATOM 1312 CA ARG A 83 10.782 -7.376 -1.433 1.00 0.00 C ATOM 1313 C ARG A 83 12.231 -7.125 -1.049 1.00 0.00 C ATOM 1314 O ARG A 83 12.876 -7.963 -0.423 1.00 0.00 O ATOM 1315 CB ARG A 83 10.701 -8.000 -2.828 1.00 0.00 C ATOM 1316 CG ARG A 83 10.854 -9.512 -2.826 1.00 0.00 C ATOM 1317 CD ARG A 83 10.299 -10.130 -4.098 1.00 0.00 C ATOM 1318 NE ARG A 83 11.349 -10.405 -5.076 1.00 0.00 N ATOM 1319 CZ ARG A 83 12.156 -11.462 -5.021 1.00 0.00 C ATOM 1320 NH1 ARG A 83 12.039 -12.344 -4.035 1.00 0.00 N ATOM 1321 NH2 ARG A 83 13.082 -11.638 -5.952 1.00 0.00 N ATOM 0 H ARG A 83 9.532 -5.891 -2.236 1.00 0.00 H new ATOM 0 HA ARG A 83 10.333 -8.076 -0.728 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.743 -7.740 -3.278 1.00 0.00 H new ATOM 0 HB3 ARG A 83 11.477 -7.565 -3.457 1.00 0.00 H new ATOM 0 HG2 ARG A 83 11.908 -9.772 -2.724 1.00 0.00 H new ATOM 0 HG3 ARG A 83 10.337 -9.930 -1.962 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.779 -11.056 -3.854 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.562 -9.457 -4.537 1.00 0.00 H new ATOM 0 HE ARG A 83 11.471 -9.748 -5.847 1.00 0.00 H new ATOM 0 HH11 ARG A 83 11.328 -12.213 -3.315 1.00 0.00 H new ATOM 0 HH12 ARG A 83 12.660 -13.152 -3.997 1.00 0.00 H new ATOM 0 HH21 ARG A 83 13.177 -10.963 -6.711 1.00 0.00 H new ATOM 0 HH22 ARG A 83 13.700 -12.448 -5.910 1.00 0.00 H new ATOM 1335 N GLU A 84 12.726 -5.944 -1.410 1.00 0.00 N ATOM 1336 CA GLU A 84 14.086 -5.563 -1.072 1.00 0.00 C ATOM 1337 C GLU A 84 14.210 -5.447 0.441 1.00 0.00 C ATOM 1338 O GLU A 84 15.248 -5.765 1.022 1.00 0.00 O ATOM 1339 CB GLU A 84 14.456 -4.235 -1.738 1.00 0.00 C ATOM 1340 CG GLU A 84 15.933 -4.109 -2.069 1.00 0.00 C ATOM 1341 CD GLU A 84 16.304 -2.721 -2.554 1.00 0.00 C ATOM 1342 OE1 GLU A 84 15.668 -1.745 -2.104 1.00 0.00 O ATOM 1343 OE2 GLU A 84 17.231 -2.610 -3.385 1.00 0.00 O ATOM 0 H GLU A 84 12.205 -5.240 -1.934 1.00 0.00 H new ATOM 0 HA GLU A 84 14.773 -6.326 -1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.877 -4.124 -2.655 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.169 -3.416 -1.079 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.522 -4.350 -1.184 1.00 0.00 H new ATOM 0 HG3 GLU A 84 16.194 -4.840 -2.835 1.00 0.00 H new ATOM 1350 N TYR A 85 13.122 -5.012 1.075 1.00 0.00 N ATOM 1351 CA TYR A 85 13.073 -4.877 2.521 1.00 0.00 C ATOM 1352 C TYR A 85 13.204 -6.253 3.165 1.00 0.00 C ATOM 1353 O TYR A 85 13.796 -6.403 4.233 1.00 0.00 O ATOM 1354 CB TYR A 85 11.746 -4.227 2.922 1.00 0.00 C ATOM 1355 CG TYR A 85 11.690 -3.739 4.351 1.00 0.00 C ATOM 1356 CD1 TYR A 85 11.548 -4.631 5.405 1.00 0.00 C ATOM 1357 CD2 TYR A 85 11.762 -2.383 4.642 1.00 0.00 C ATOM 1358 CE1 TYR A 85 11.481 -4.185 6.710 1.00 0.00 C ATOM 1359 CE2 TYR A 85 11.698 -1.929 5.943 1.00 0.00 C ATOM 1360 CZ TYR A 85 11.557 -2.833 6.974 1.00 0.00 C ATOM 1361 OH TYR A 85 11.491 -2.385 8.273 1.00 0.00 O ATOM 0 H TYR A 85 12.259 -4.746 0.601 1.00 0.00 H new ATOM 0 HA TYR A 85 13.895 -4.249 2.863 1.00 0.00 H new ATOM 0 HB2 TYR A 85 11.553 -3.385 2.257 1.00 0.00 H new ATOM 0 HB3 TYR A 85 10.942 -4.947 2.766 1.00 0.00 H new ATOM 0 HD1 TYR A 85 11.489 -5.690 5.201 1.00 0.00 H new ATOM 0 HD2 TYR A 85 11.870 -1.672 3.836 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.370 -4.891 7.520 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.758 -0.871 6.153 1.00 0.00 H new ATOM 0 HH TYR A 85 11.560 -1.408 8.286 1.00 0.00 H new ATOM 1371 N PHE A 86 12.646 -7.255 2.488 1.00 0.00 N ATOM 1372 CA PHE A 86 12.675 -8.635 2.960 1.00 0.00 C ATOM 1373 C PHE A 86 13.897 -9.383 2.432 1.00 0.00 C ATOM 1374 O PHE A 86 14.821 -9.690 3.184 1.00 0.00 O ATOM 1375 CB PHE A 86 11.389 -9.343 2.520 1.00 0.00 C ATOM 1376 CG PHE A 86 10.220 -9.055 3.417 1.00 0.00 C ATOM 1377 CD1 PHE A 86 10.368 -9.081 4.792 1.00 0.00 C ATOM 1378 CD2 PHE A 86 8.981 -8.739 2.887 1.00 0.00 C ATOM 1379 CE1 PHE A 86 9.305 -8.793 5.622 1.00 0.00 C ATOM 1380 CE2 PHE A 86 7.913 -8.457 3.713 1.00 0.00 C ATOM 1381 CZ PHE A 86 8.074 -8.481 5.082 1.00 0.00 C ATOM 0 H PHE A 86 12.162 -7.132 1.599 1.00 0.00 H new ATOM 0 HA PHE A 86 12.742 -8.628 4.048 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.143 -9.037 1.503 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.564 -10.419 2.496 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.328 -9.330 5.221 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.849 -8.713 1.815 1.00 0.00 H new ATOM 0 HE1 PHE A 86 9.436 -8.812 6.694 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.950 -8.217 3.287 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.239 -8.256 5.730 1.00 0.00 H new ATOM 1391 N LYS A 87 13.893 -9.674 1.135 1.00 0.00 N ATOM 1392 CA LYS A 87 15.000 -10.390 0.504 1.00 0.00 C ATOM 1393 C LYS A 87 15.958 -9.419 -0.178 1.00 0.00 C ATOM 1394 O LYS A 87 15.707 -9.067 -1.350 1.00 0.00 O ATOM 1395 CB LYS A 87 14.463 -11.396 -0.515 1.00 0.00 C ATOM 1396 CG LYS A 87 13.302 -12.227 0.007 1.00 0.00 C ATOM 1397 CD LYS A 87 12.921 -13.330 -0.968 1.00 0.00 C ATOM 1398 CE LYS A 87 12.311 -14.523 -0.249 1.00 0.00 C ATOM 1399 NZ LYS A 87 11.745 -15.516 -1.202 1.00 0.00 N ATOM 1400 OXT LYS A 87 16.951 -9.019 0.466 1.00 0.00 O ATOM 0 H LYS A 87 13.136 -9.425 0.499 1.00 0.00 H new ATOM 0 HA LYS A 87 15.547 -10.924 1.281 1.00 0.00 H new ATOM 0 HB2 LYS A 87 14.143 -10.860 -1.409 1.00 0.00 H new ATOM 0 HB3 LYS A 87 15.271 -12.063 -0.815 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.571 -12.666 0.968 1.00 0.00 H new ATOM 0 HG3 LYS A 87 12.441 -11.582 0.182 1.00 0.00 H new ATOM 0 HD2 LYS A 87 12.211 -12.942 -1.698 1.00 0.00 H new ATOM 0 HD3 LYS A 87 13.804 -13.650 -1.521 1.00 0.00 H new ATOM 0 HE2 LYS A 87 13.071 -15.003 0.367 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.526 -14.178 0.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.339 -16.313 -0.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.001 -15.065 -1.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.498 -15.864 -1.829 1.00 0.00 H new