USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 577 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 Single : A 8 HIS : no HD1:sc= -0.296 X(o=-0.3,f=-0.17) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0515) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 30:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -119:sc= 0.179 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0441 K(o=-0.044,f=-1.3) USER MOD Single : A 51 THR OG1 : rot 143:sc= 1.83 USER MOD Single : A 57 ASN : amide:sc= -0.502 X(o=-0.5,f=-0.5) USER MOD Single : A 60 CYS SG : rot 50:sc= -0.248 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 95:sc= 0.704 USER MOD Single : A 71 GLN : amide:sc= -2.8! C(o=-2.8!,f=-4.2!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.68 USER MOD Single : A 75 HIS : no HE2:sc= -0.385 X(o=-0.39,f=-0.58) USER MOD Single : A 77 THR OG1 : rot -67:sc= 1.07 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 8 19.938 -12.590 2.146 1.00 0.00 N ATOM 2 CA HIS A 8 20.764 -12.598 0.905 1.00 0.00 C ATOM 3 C HIS A 8 20.913 -11.168 0.381 1.00 0.00 C ATOM 4 O HIS A 8 22.000 -10.718 0.080 1.00 0.00 O ATOM 5 CB HIS A 8 20.081 -13.463 -0.157 1.00 0.00 C ATOM 6 CG HIS A 8 21.124 -14.214 -0.938 1.00 0.00 C ATOM 7 ND1 HIS A 8 20.794 -15.222 -1.831 1.00 0.00 N ATOM 8 CD2 HIS A 8 22.493 -14.115 -0.971 1.00 0.00 C ATOM 9 CE1 HIS A 8 21.942 -15.686 -2.360 1.00 0.00 C ATOM 10 NE2 HIS A 8 23.008 -15.046 -1.869 1.00 0.00 N ATOM 0 HA HIS A 8 21.750 -13.007 1.127 1.00 0.00 H new ATOM 0 HB2 HIS A 8 19.392 -14.162 0.316 1.00 0.00 H new ATOM 0 HB3 HIS A 8 19.490 -12.837 -0.826 1.00 0.00 H new ATOM 0 HD2 HIS A 8 23.081 -13.421 -0.389 1.00 0.00 H new ATOM 0 HE1 HIS A 8 21.995 -16.479 -3.092 1.00 0.00 H new ATOM 0 HE2 HIS A 8 23.988 -15.205 -2.102 1.00 0.00 H new ATOM 20 N MET A 9 19.827 -10.452 0.271 1.00 0.00 N ATOM 21 CA MET A 9 19.907 -9.052 -0.235 1.00 0.00 C ATOM 22 C MET A 9 19.089 -8.134 0.677 1.00 0.00 C ATOM 23 O MET A 9 18.871 -6.978 0.372 1.00 0.00 O ATOM 24 CB MET A 9 19.347 -8.990 -1.657 1.00 0.00 C ATOM 25 CG MET A 9 20.274 -9.753 -2.605 1.00 0.00 C ATOM 26 SD MET A 9 20.645 -8.722 -4.046 1.00 0.00 S ATOM 27 CE MET A 9 19.263 -9.269 -5.078 1.00 0.00 C ATOM 0 H MET A 9 18.889 -10.775 0.509 1.00 0.00 H new ATOM 0 HA MET A 9 20.947 -8.726 -0.241 1.00 0.00 H new ATOM 0 HB2 MET A 9 18.347 -9.422 -1.684 1.00 0.00 H new ATOM 0 HB3 MET A 9 19.255 -7.952 -1.978 1.00 0.00 H new ATOM 0 HG2 MET A 9 21.196 -10.023 -2.090 1.00 0.00 H new ATOM 0 HG3 MET A 9 19.802 -10.683 -2.922 1.00 0.00 H new ATOM 0 HE1 MET A 9 19.296 -8.750 -6.036 1.00 0.00 H new ATOM 0 HE2 MET A 9 19.337 -10.344 -5.245 1.00 0.00 H new ATOM 0 HE3 MET A 9 18.322 -9.043 -4.576 1.00 0.00 H new ATOM 37 N VAL A 10 18.635 -8.637 1.792 1.00 0.00 N ATOM 38 CA VAL A 10 17.833 -7.791 2.719 1.00 0.00 C ATOM 39 C VAL A 10 18.764 -7.098 3.716 1.00 0.00 C ATOM 40 O VAL A 10 18.326 -6.356 4.574 1.00 0.00 O ATOM 41 CB VAL A 10 16.837 -8.670 3.477 1.00 0.00 C ATOM 42 CG1 VAL A 10 15.723 -7.797 4.056 1.00 0.00 C ATOM 43 CG2 VAL A 10 16.232 -9.698 2.518 1.00 0.00 C ATOM 0 H VAL A 10 18.785 -9.597 2.101 1.00 0.00 H new ATOM 0 HA VAL A 10 17.292 -7.038 2.146 1.00 0.00 H new ATOM 0 HB VAL A 10 17.352 -9.186 4.287 1.00 0.00 H new ATOM 0 HG11 VAL A 10 15.013 -8.424 4.596 1.00 0.00 H new ATOM 0 HG12 VAL A 10 16.153 -7.064 4.739 1.00 0.00 H new ATOM 0 HG13 VAL A 10 15.208 -7.280 3.246 1.00 0.00 H new ATOM 0 HG21 VAL A 10 15.522 -10.325 3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 10 15.717 -9.181 1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 10 17.025 -10.321 2.105 1.00 0.00 H new ATOM 53 N GLU A 11 20.045 -7.329 3.612 1.00 0.00 N ATOM 54 CA GLU A 11 20.998 -6.681 4.556 1.00 0.00 C ATOM 55 C GLU A 11 20.746 -7.200 5.973 1.00 0.00 C ATOM 56 O GLU A 11 20.952 -6.502 6.946 1.00 0.00 O ATOM 57 CB GLU A 11 20.795 -5.165 4.525 1.00 0.00 C ATOM 58 CG GLU A 11 22.144 -4.466 4.695 1.00 0.00 C ATOM 59 CD GLU A 11 22.671 -4.035 3.325 1.00 0.00 C ATOM 60 OE1 GLU A 11 21.895 -3.489 2.559 1.00 0.00 O ATOM 61 OE2 GLU A 11 23.843 -4.257 3.066 1.00 0.00 O ATOM 0 H GLU A 11 20.472 -7.938 2.914 1.00 0.00 H new ATOM 0 HA GLU A 11 22.020 -6.917 4.259 1.00 0.00 H new ATOM 0 HB2 GLU A 11 20.336 -4.868 3.582 1.00 0.00 H new ATOM 0 HB3 GLU A 11 20.114 -4.862 5.320 1.00 0.00 H new ATOM 0 HG2 GLU A 11 22.036 -3.598 5.345 1.00 0.00 H new ATOM 0 HG3 GLU A 11 22.856 -5.137 5.176 1.00 0.00 H new ATOM 68 N GLU A 12 20.302 -8.421 6.098 1.00 0.00 N ATOM 69 CA GLU A 12 20.038 -8.982 7.453 1.00 0.00 C ATOM 70 C GLU A 12 18.934 -8.174 8.135 1.00 0.00 C ATOM 71 O GLU A 12 18.918 -8.018 9.339 1.00 0.00 O ATOM 72 CB GLU A 12 21.316 -8.908 8.292 1.00 0.00 C ATOM 73 CG GLU A 12 22.466 -9.572 7.531 1.00 0.00 C ATOM 74 CD GLU A 12 23.407 -10.257 8.524 1.00 0.00 C ATOM 75 OE1 GLU A 12 23.485 -9.794 9.652 1.00 0.00 O ATOM 76 OE2 GLU A 12 24.035 -11.230 8.141 1.00 0.00 O ATOM 0 H GLU A 12 20.111 -9.054 5.321 1.00 0.00 H new ATOM 0 HA GLU A 12 19.722 -10.021 7.360 1.00 0.00 H new ATOM 0 HB2 GLU A 12 21.562 -7.868 8.509 1.00 0.00 H new ATOM 0 HB3 GLU A 12 21.164 -9.406 9.250 1.00 0.00 H new ATOM 0 HG2 GLU A 12 22.074 -10.302 6.823 1.00 0.00 H new ATOM 0 HG3 GLU A 12 23.011 -8.827 6.952 1.00 0.00 H new ATOM 83 N VAL A 13 18.007 -7.657 7.374 1.00 0.00 N ATOM 84 CA VAL A 13 16.904 -6.861 7.980 1.00 0.00 C ATOM 85 C VAL A 13 17.494 -5.677 8.750 1.00 0.00 C ATOM 86 O VAL A 13 18.663 -5.659 9.080 1.00 0.00 O ATOM 87 CB VAL A 13 16.104 -7.745 8.939 1.00 0.00 C ATOM 88 CG1 VAL A 13 14.788 -7.053 9.293 1.00 0.00 C ATOM 89 CG2 VAL A 13 15.811 -9.086 8.265 1.00 0.00 C ATOM 0 H VAL A 13 17.967 -7.752 6.359 1.00 0.00 H new ATOM 0 HA VAL A 13 16.247 -6.492 7.193 1.00 0.00 H new ATOM 0 HB VAL A 13 16.681 -7.912 9.849 1.00 0.00 H new ATOM 0 HG11 VAL A 13 14.218 -7.683 9.976 1.00 0.00 H new ATOM 0 HG12 VAL A 13 14.997 -6.096 9.771 1.00 0.00 H new ATOM 0 HG13 VAL A 13 14.209 -6.886 8.385 1.00 0.00 H new ATOM 0 HG21 VAL A 13 15.241 -9.718 8.946 1.00 0.00 H new ATOM 0 HG22 VAL A 13 15.233 -8.918 7.356 1.00 0.00 H new ATOM 0 HG23 VAL A 13 16.750 -9.579 8.012 1.00 0.00 H new ATOM 99 N LEU A 14 16.694 -4.689 9.040 1.00 0.00 N ATOM 100 CA LEU A 14 17.208 -3.508 9.789 1.00 0.00 C ATOM 101 C LEU A 14 17.363 -3.870 11.267 1.00 0.00 C ATOM 102 O LEU A 14 16.433 -4.319 11.907 1.00 0.00 O ATOM 103 CB LEU A 14 16.224 -2.345 9.649 1.00 0.00 C ATOM 104 CG LEU A 14 14.799 -2.852 9.880 1.00 0.00 C ATOM 105 CD1 LEU A 14 14.032 -1.849 10.743 1.00 0.00 C ATOM 106 CD2 LEU A 14 14.091 -3.008 8.532 1.00 0.00 C ATOM 0 H LEU A 14 15.706 -4.648 8.791 1.00 0.00 H new ATOM 0 HA LEU A 14 18.176 -3.214 9.383 1.00 0.00 H new ATOM 0 HB2 LEU A 14 16.464 -1.563 10.369 1.00 0.00 H new ATOM 0 HB3 LEU A 14 16.307 -1.902 8.657 1.00 0.00 H new ATOM 0 HG LEU A 14 14.835 -3.815 10.389 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.017 -2.211 10.907 1.00 0.00 H new ATOM 0 HD12 LEU A 14 14.536 -1.735 11.703 1.00 0.00 H new ATOM 0 HD13 LEU A 14 13.996 -0.885 10.235 1.00 0.00 H new ATOM 0 HD21 LEU A 14 13.075 -3.369 8.694 1.00 0.00 H new ATOM 0 HD22 LEU A 14 14.057 -2.044 8.025 1.00 0.00 H new ATOM 0 HD23 LEU A 14 14.636 -3.723 7.915 1.00 0.00 H new ATOM 118 N GLU A 15 18.531 -3.679 11.815 1.00 0.00 N ATOM 119 CA GLU A 15 18.744 -4.013 13.251 1.00 0.00 C ATOM 120 C GLU A 15 18.836 -2.721 14.066 1.00 0.00 C ATOM 121 O GLU A 15 18.472 -2.679 15.225 1.00 0.00 O ATOM 122 CB GLU A 15 20.045 -4.806 13.402 1.00 0.00 C ATOM 123 CG GLU A 15 19.966 -5.686 14.650 1.00 0.00 C ATOM 124 CD GLU A 15 20.509 -4.915 15.854 1.00 0.00 C ATOM 125 OE1 GLU A 15 21.719 -4.860 16.001 1.00 0.00 O ATOM 126 OE2 GLU A 15 19.706 -4.393 16.609 1.00 0.00 O ATOM 0 H GLU A 15 19.347 -3.306 11.330 1.00 0.00 H new ATOM 0 HA GLU A 15 17.909 -4.613 13.613 1.00 0.00 H new ATOM 0 HB2 GLU A 15 20.211 -5.423 12.519 1.00 0.00 H new ATOM 0 HB3 GLU A 15 20.892 -4.124 13.478 1.00 0.00 H new ATOM 0 HG2 GLU A 15 18.934 -5.985 14.832 1.00 0.00 H new ATOM 0 HG3 GLU A 15 20.541 -6.600 14.500 1.00 0.00 H new ATOM 133 N GLU A 16 19.319 -1.666 13.471 1.00 0.00 N ATOM 134 CA GLU A 16 19.432 -0.378 14.212 1.00 0.00 C ATOM 135 C GLU A 16 18.193 0.477 13.940 1.00 0.00 C ATOM 136 O GLU A 16 17.418 0.764 14.831 1.00 0.00 O ATOM 137 CB GLU A 16 20.682 0.372 13.744 1.00 0.00 C ATOM 138 CG GLU A 16 21.931 -0.416 14.146 1.00 0.00 C ATOM 139 CD GLU A 16 23.121 0.051 13.307 1.00 0.00 C ATOM 140 OE1 GLU A 16 23.580 1.159 13.529 1.00 0.00 O ATOM 141 OE2 GLU A 16 23.554 -0.709 12.455 1.00 0.00 O ATOM 0 H GLU A 16 19.641 -1.640 12.503 1.00 0.00 H new ATOM 0 HA GLU A 16 19.508 -0.579 15.281 1.00 0.00 H new ATOM 0 HB2 GLU A 16 20.656 0.505 12.662 1.00 0.00 H new ATOM 0 HB3 GLU A 16 20.709 1.368 14.187 1.00 0.00 H new ATOM 0 HG2 GLU A 16 22.140 -0.270 15.206 1.00 0.00 H new ATOM 0 HG3 GLU A 16 21.764 -1.483 13.998 1.00 0.00 H new ATOM 148 N GLU A 17 17.999 0.885 12.716 1.00 0.00 N ATOM 149 CA GLU A 17 16.809 1.721 12.389 1.00 0.00 C ATOM 150 C GLU A 17 16.685 1.861 10.870 1.00 0.00 C ATOM 151 O GLU A 17 17.669 1.975 10.166 1.00 0.00 O ATOM 152 CB GLU A 17 16.971 3.106 13.017 1.00 0.00 C ATOM 153 CG GLU A 17 15.936 3.288 14.128 1.00 0.00 C ATOM 154 CD GLU A 17 16.282 4.531 14.951 1.00 0.00 C ATOM 155 OE1 GLU A 17 17.450 4.881 14.995 1.00 0.00 O ATOM 156 OE2 GLU A 17 15.373 5.112 15.520 1.00 0.00 O ATOM 0 H GLU A 17 18.613 0.676 11.928 1.00 0.00 H new ATOM 0 HA GLU A 17 15.911 1.245 12.784 1.00 0.00 H new ATOM 0 HB2 GLU A 17 17.977 3.218 13.421 1.00 0.00 H new ATOM 0 HB3 GLU A 17 16.845 3.878 12.258 1.00 0.00 H new ATOM 0 HG2 GLU A 17 14.940 3.390 13.698 1.00 0.00 H new ATOM 0 HG3 GLU A 17 15.918 2.407 14.770 1.00 0.00 H new ATOM 163 N GLU A 18 15.484 1.853 10.361 1.00 0.00 N ATOM 164 CA GLU A 18 15.298 1.985 8.888 1.00 0.00 C ATOM 165 C GLU A 18 15.763 3.372 8.438 1.00 0.00 C ATOM 166 O GLU A 18 16.230 4.169 9.228 1.00 0.00 O ATOM 167 CB GLU A 18 13.819 1.807 8.543 1.00 0.00 C ATOM 168 CG GLU A 18 12.977 2.758 9.396 1.00 0.00 C ATOM 169 CD GLU A 18 11.686 3.106 8.652 1.00 0.00 C ATOM 170 OE1 GLU A 18 10.752 2.326 8.729 1.00 0.00 O ATOM 171 OE2 GLU A 18 11.654 4.148 8.019 1.00 0.00 O ATOM 0 H GLU A 18 14.624 1.761 10.901 1.00 0.00 H new ATOM 0 HA GLU A 18 15.885 1.221 8.378 1.00 0.00 H new ATOM 0 HB2 GLU A 18 13.655 2.009 7.485 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.515 0.776 8.721 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.743 2.293 10.354 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.541 3.666 9.611 1.00 0.00 H new ATOM 178 N GLU A 19 15.638 3.666 7.173 1.00 0.00 N ATOM 179 CA GLU A 19 16.070 5.001 6.671 1.00 0.00 C ATOM 180 C GLU A 19 15.116 5.463 5.568 1.00 0.00 C ATOM 181 O GLU A 19 15.513 6.104 4.617 1.00 0.00 O ATOM 182 CB GLU A 19 17.489 4.900 6.108 1.00 0.00 C ATOM 183 CG GLU A 19 17.562 3.741 5.112 1.00 0.00 C ATOM 184 CD GLU A 19 18.531 2.677 5.634 1.00 0.00 C ATOM 185 OE1 GLU A 19 18.665 2.569 6.842 1.00 0.00 O ATOM 186 OE2 GLU A 19 19.123 1.991 4.817 1.00 0.00 O ATOM 0 H GLU A 19 15.255 3.039 6.465 1.00 0.00 H new ATOM 0 HA GLU A 19 16.055 5.720 7.490 1.00 0.00 H new ATOM 0 HB2 GLU A 19 17.764 5.833 5.617 1.00 0.00 H new ATOM 0 HB3 GLU A 19 18.202 4.743 6.917 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.572 3.308 4.970 1.00 0.00 H new ATOM 0 HG3 GLU A 19 17.894 4.104 4.139 1.00 0.00 H new ATOM 193 N GLU A 20 13.857 5.138 5.688 1.00 0.00 N ATOM 194 CA GLU A 20 12.877 5.556 4.647 1.00 0.00 C ATOM 195 C GLU A 20 12.636 7.064 4.747 1.00 0.00 C ATOM 196 O GLU A 20 12.538 7.618 5.823 1.00 0.00 O ATOM 197 CB GLU A 20 11.557 4.814 4.862 1.00 0.00 C ATOM 198 CG GLU A 20 11.826 3.311 4.965 1.00 0.00 C ATOM 199 CD GLU A 20 10.536 2.585 5.348 1.00 0.00 C ATOM 200 OE1 GLU A 20 9.481 3.034 4.931 1.00 0.00 O ATOM 201 OE2 GLU A 20 10.624 1.593 6.052 1.00 0.00 O ATOM 0 H GLU A 20 13.466 4.601 6.462 1.00 0.00 H new ATOM 0 HA GLU A 20 13.273 5.316 3.660 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.071 5.170 5.771 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.875 5.016 4.036 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.200 2.932 4.014 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.598 3.120 5.710 1.00 0.00 H new ATOM 208 N TYR A 21 12.537 7.733 3.630 1.00 0.00 N ATOM 209 CA TYR A 21 12.300 9.204 3.660 1.00 0.00 C ATOM 210 C TYR A 21 10.843 9.476 4.038 1.00 0.00 C ATOM 211 O TYR A 21 10.504 9.593 5.200 1.00 0.00 O ATOM 212 CB TYR A 21 12.588 9.796 2.278 1.00 0.00 C ATOM 213 CG TYR A 21 14.057 10.128 2.167 1.00 0.00 C ATOM 214 CD1 TYR A 21 15.009 9.100 2.153 1.00 0.00 C ATOM 215 CD2 TYR A 21 14.468 11.465 2.075 1.00 0.00 C ATOM 216 CE1 TYR A 21 16.371 9.408 2.049 1.00 0.00 C ATOM 217 CE2 TYR A 21 15.831 11.772 1.971 1.00 0.00 C ATOM 218 CZ TYR A 21 16.783 10.744 1.957 1.00 0.00 C ATOM 219 OH TYR A 21 18.125 11.048 1.854 1.00 0.00 O ATOM 0 H TYR A 21 12.610 7.324 2.698 1.00 0.00 H new ATOM 0 HA TYR A 21 12.959 9.664 4.396 1.00 0.00 H new ATOM 0 HB2 TYR A 21 12.305 9.086 1.501 1.00 0.00 H new ATOM 0 HB3 TYR A 21 11.989 10.693 2.123 1.00 0.00 H new ATOM 0 HD1 TYR A 21 14.692 8.070 2.222 1.00 0.00 H new ATOM 0 HD2 TYR A 21 13.735 12.258 2.084 1.00 0.00 H new ATOM 0 HE1 TYR A 21 17.104 8.615 2.040 1.00 0.00 H new ATOM 0 HE2 TYR A 21 16.148 12.802 1.902 1.00 0.00 H new ATOM 0 HH TYR A 21 18.237 12.020 1.798 1.00 0.00 H new ATOM 229 N VAL A 22 9.978 9.579 3.067 1.00 0.00 N ATOM 230 CA VAL A 22 8.544 9.842 3.372 1.00 0.00 C ATOM 231 C VAL A 22 7.665 8.946 2.500 1.00 0.00 C ATOM 232 O VAL A 22 8.076 8.487 1.452 1.00 0.00 O ATOM 233 CB VAL A 22 8.221 11.310 3.081 1.00 0.00 C ATOM 234 CG1 VAL A 22 6.755 11.587 3.418 1.00 0.00 C ATOM 235 CG2 VAL A 22 9.118 12.206 3.939 1.00 0.00 C ATOM 0 H VAL A 22 10.202 9.492 2.076 1.00 0.00 H new ATOM 0 HA VAL A 22 8.352 9.629 4.423 1.00 0.00 H new ATOM 0 HB VAL A 22 8.397 11.519 2.026 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.525 12.632 3.211 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.115 10.947 2.810 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.579 11.379 4.473 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.890 13.252 3.734 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.940 11.996 4.994 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.163 12.009 3.701 1.00 0.00 H new ATOM 245 N VAL A 23 6.456 8.692 2.921 1.00 0.00 N ATOM 246 CA VAL A 23 5.552 7.825 2.115 1.00 0.00 C ATOM 247 C VAL A 23 4.544 8.701 1.371 1.00 0.00 C ATOM 248 O VAL A 23 3.937 9.586 1.941 1.00 0.00 O ATOM 249 CB VAL A 23 4.807 6.865 3.042 1.00 0.00 C ATOM 250 CG1 VAL A 23 4.078 7.661 4.126 1.00 0.00 C ATOM 251 CG2 VAL A 23 3.788 6.063 2.228 1.00 0.00 C ATOM 0 H VAL A 23 6.056 9.048 3.789 1.00 0.00 H new ATOM 0 HA VAL A 23 6.139 7.252 1.397 1.00 0.00 H new ATOM 0 HB VAL A 23 5.519 6.185 3.509 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.547 6.975 4.786 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.802 8.235 4.705 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.365 8.341 3.660 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.255 5.377 2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.077 6.745 1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.306 5.495 1.455 1.00 0.00 H new ATOM 261 N GLU A 24 4.360 8.462 0.103 1.00 0.00 N ATOM 262 CA GLU A 24 3.391 9.282 -0.674 1.00 0.00 C ATOM 263 C GLU A 24 2.023 8.595 -0.668 1.00 0.00 C ATOM 264 O GLU A 24 0.994 9.240 -0.691 1.00 0.00 O ATOM 265 CB GLU A 24 3.884 9.427 -2.115 1.00 0.00 C ATOM 266 CG GLU A 24 4.179 10.900 -2.409 1.00 0.00 C ATOM 267 CD GLU A 24 3.602 11.274 -3.775 1.00 0.00 C ATOM 268 OE1 GLU A 24 3.879 10.564 -4.729 1.00 0.00 O ATOM 269 OE2 GLU A 24 2.895 12.265 -3.845 1.00 0.00 O ATOM 0 H GLU A 24 4.839 7.735 -0.428 1.00 0.00 H new ATOM 0 HA GLU A 24 3.304 10.269 -0.220 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.782 8.828 -2.265 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.131 9.051 -2.808 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.744 11.531 -1.634 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.255 11.076 -2.396 1.00 0.00 H new ATOM 276 N LYS A 25 2.005 7.290 -0.635 1.00 0.00 N ATOM 277 CA LYS A 25 0.704 6.565 -0.625 1.00 0.00 C ATOM 278 C LYS A 25 0.936 5.093 -0.971 1.00 0.00 C ATOM 279 O LYS A 25 2.057 4.628 -1.021 1.00 0.00 O ATOM 280 CB LYS A 25 -0.237 7.190 -1.657 1.00 0.00 C ATOM 281 CG LYS A 25 -1.409 7.863 -0.939 1.00 0.00 C ATOM 282 CD LYS A 25 -2.497 8.218 -1.954 1.00 0.00 C ATOM 283 CE LYS A 25 -3.221 9.488 -1.505 1.00 0.00 C ATOM 284 NZ LYS A 25 -4.538 9.126 -0.912 1.00 0.00 N ATOM 0 H LYS A 25 2.834 6.696 -0.615 1.00 0.00 H new ATOM 0 HA LYS A 25 0.256 6.638 0.366 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.302 7.921 -2.260 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.606 6.424 -2.339 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.812 7.197 -0.176 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.067 8.763 -0.428 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.055 8.368 -2.939 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.206 7.395 -2.045 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.616 10.025 -0.774 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.364 10.157 -2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.030 9.990 -0.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.115 8.632 -1.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.390 8.504 -0.092 1.00 0.00 H new ATOM 298 N VAL A 26 -0.114 4.356 -1.214 1.00 0.00 N ATOM 299 CA VAL A 26 0.052 2.916 -1.556 1.00 0.00 C ATOM 300 C VAL A 26 0.115 2.759 -3.074 1.00 0.00 C ATOM 301 O VAL A 26 -0.187 3.672 -3.817 1.00 0.00 O ATOM 302 CB VAL A 26 -1.133 2.113 -1.014 1.00 0.00 C ATOM 303 CG1 VAL A 26 -0.682 0.688 -0.694 1.00 0.00 C ATOM 304 CG2 VAL A 26 -1.657 2.772 0.262 1.00 0.00 C ATOM 0 H VAL A 26 -1.078 4.689 -1.190 1.00 0.00 H new ATOM 0 HA VAL A 26 0.974 2.545 -1.108 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.923 2.088 -1.764 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.527 0.117 -0.308 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.307 0.213 -1.600 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.109 0.716 0.055 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.501 2.199 0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.865 2.798 1.010 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.980 3.789 0.040 1.00 0.00 H new ATOM 314 N LEU A 27 0.506 1.607 -3.540 1.00 0.00 N ATOM 315 CA LEU A 27 0.589 1.387 -5.011 1.00 0.00 C ATOM 316 C LEU A 27 0.012 0.012 -5.361 1.00 0.00 C ATOM 317 O LEU A 27 -0.552 -0.180 -6.420 1.00 0.00 O ATOM 318 CB LEU A 27 2.053 1.453 -5.453 1.00 0.00 C ATOM 319 CG LEU A 27 2.310 2.784 -6.162 1.00 0.00 C ATOM 320 CD1 LEU A 27 1.350 2.928 -7.344 1.00 0.00 C ATOM 321 CD2 LEU A 27 2.085 3.937 -5.181 1.00 0.00 C ATOM 0 H LEU A 27 0.772 0.807 -2.966 1.00 0.00 H new ATOM 0 HA LEU A 27 0.017 2.159 -5.525 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.710 1.356 -4.589 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.280 0.622 -6.121 1.00 0.00 H new ATOM 0 HG LEU A 27 3.338 2.809 -6.524 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.534 3.877 -7.849 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.509 2.108 -8.044 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.322 2.902 -6.983 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.268 4.885 -5.686 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.057 3.911 -4.819 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.769 3.837 -4.338 1.00 0.00 H new ATOM 333 N ASP A 28 0.149 -0.947 -4.485 1.00 0.00 N ATOM 334 CA ASP A 28 -0.393 -2.305 -4.780 1.00 0.00 C ATOM 335 C ASP A 28 -0.562 -3.083 -3.474 1.00 0.00 C ATOM 336 O ASP A 28 -0.507 -2.527 -2.395 1.00 0.00 O ATOM 337 CB ASP A 28 0.579 -3.054 -5.694 1.00 0.00 C ATOM 338 CG ASP A 28 0.629 -2.369 -7.061 1.00 0.00 C ATOM 339 OD1 ASP A 28 1.368 -1.407 -7.192 1.00 0.00 O ATOM 340 OD2 ASP A 28 -0.071 -2.817 -7.953 1.00 0.00 O ATOM 0 H ASP A 28 0.611 -0.850 -3.581 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.360 -2.209 -5.274 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.573 -3.071 -5.248 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.262 -4.091 -5.807 1.00 0.00 H new ATOM 345 N ARG A 29 -0.769 -4.369 -3.564 1.00 0.00 N ATOM 346 CA ARG A 29 -0.942 -5.186 -2.330 1.00 0.00 C ATOM 347 C ARG A 29 -0.483 -6.621 -2.602 1.00 0.00 C ATOM 348 O ARG A 29 -0.976 -7.281 -3.496 1.00 0.00 O ATOM 349 CB ARG A 29 -2.416 -5.190 -1.923 1.00 0.00 C ATOM 350 CG ARG A 29 -2.611 -6.115 -0.720 1.00 0.00 C ATOM 351 CD ARG A 29 -3.459 -7.319 -1.133 1.00 0.00 C ATOM 352 NE ARG A 29 -4.311 -7.742 0.014 1.00 0.00 N ATOM 353 CZ ARG A 29 -5.325 -8.539 -0.186 1.00 0.00 C ATOM 354 NH1 ARG A 29 -5.209 -9.551 -1.001 1.00 0.00 N ATOM 355 NH2 ARG A 29 -6.456 -8.322 0.428 1.00 0.00 N ATOM 0 H ARG A 29 -0.826 -4.889 -4.440 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.345 -4.759 -1.524 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.738 -4.179 -1.674 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.033 -5.525 -2.756 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.644 -6.450 -0.345 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.098 -5.575 0.092 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.084 -7.061 -1.988 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.815 -8.141 -1.445 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.102 -7.409 0.955 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.326 -9.720 -1.482 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.002 -10.174 -1.157 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.547 -7.530 1.064 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.249 -8.945 0.272 1.00 0.00 H new ATOM 369 N ARG A 30 0.457 -7.109 -1.839 1.00 0.00 N ATOM 370 CA ARG A 30 0.947 -8.500 -2.056 1.00 0.00 C ATOM 371 C ARG A 30 0.314 -9.432 -1.020 1.00 0.00 C ATOM 372 O ARG A 30 -0.272 -8.992 -0.051 1.00 0.00 O ATOM 373 CB ARG A 30 2.470 -8.535 -1.908 1.00 0.00 C ATOM 374 CG ARG A 30 3.080 -9.314 -3.074 1.00 0.00 C ATOM 375 CD ARG A 30 3.949 -10.451 -2.531 1.00 0.00 C ATOM 376 NE ARG A 30 5.216 -9.888 -1.983 1.00 0.00 N ATOM 377 CZ ARG A 30 6.344 -10.519 -2.166 1.00 0.00 C ATOM 378 NH1 ARG A 30 6.421 -11.801 -1.930 1.00 0.00 N ATOM 379 NH2 ARG A 30 7.395 -9.869 -2.584 1.00 0.00 N ATOM 0 H ARG A 30 0.907 -6.605 -1.075 1.00 0.00 H new ATOM 0 HA ARG A 30 0.671 -8.829 -3.058 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.867 -7.520 -1.888 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.743 -9.003 -0.962 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.290 -9.717 -3.708 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.680 -8.649 -3.695 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.413 -10.993 -1.752 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.169 -11.166 -3.324 1.00 0.00 H new ATOM 0 HE ARG A 30 5.201 -9.009 -1.465 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.600 -12.310 -1.603 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.302 -12.294 -2.073 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.335 -8.867 -2.768 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.276 -10.362 -2.727 1.00 0.00 H new ATOM 393 N VAL A 31 0.427 -10.717 -1.217 1.00 0.00 N ATOM 394 CA VAL A 31 -0.167 -11.676 -0.244 1.00 0.00 C ATOM 395 C VAL A 31 0.562 -13.018 -0.343 1.00 0.00 C ATOM 396 O VAL A 31 0.404 -13.754 -1.297 1.00 0.00 O ATOM 397 CB VAL A 31 -1.649 -11.876 -0.566 1.00 0.00 C ATOM 398 CG1 VAL A 31 -2.191 -13.064 0.232 1.00 0.00 C ATOM 399 CG2 VAL A 31 -2.427 -10.614 -0.187 1.00 0.00 C ATOM 0 H VAL A 31 0.905 -11.144 -2.010 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.065 -11.280 0.766 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.765 -12.071 -1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.247 -13.206 0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.638 -13.964 -0.035 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.075 -12.869 1.298 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.483 -10.755 -0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.310 -10.421 0.879 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.043 -9.766 -0.754 1.00 0.00 H new ATOM 409 N VAL A 32 1.362 -13.342 0.636 1.00 0.00 N ATOM 410 CA VAL A 32 2.102 -14.636 0.597 1.00 0.00 C ATOM 411 C VAL A 32 1.304 -15.704 1.346 1.00 0.00 C ATOM 412 O VAL A 32 1.836 -16.435 2.158 1.00 0.00 O ATOM 413 CB VAL A 32 3.469 -14.462 1.261 1.00 0.00 C ATOM 414 CG1 VAL A 32 4.447 -15.490 0.691 1.00 0.00 C ATOM 415 CG2 VAL A 32 3.995 -13.052 0.983 1.00 0.00 C ATOM 0 H VAL A 32 1.535 -12.767 1.461 1.00 0.00 H new ATOM 0 HA VAL A 32 2.238 -14.945 -0.439 1.00 0.00 H new ATOM 0 HB VAL A 32 3.371 -14.609 2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.421 -15.366 1.164 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.073 -16.495 0.887 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.544 -15.342 -0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.969 -12.927 1.456 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.092 -12.906 -0.093 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.299 -12.318 1.388 1.00 0.00 H new ATOM 425 N LYS A 33 0.030 -15.802 1.081 1.00 0.00 N ATOM 426 CA LYS A 33 -0.800 -16.824 1.778 1.00 0.00 C ATOM 427 C LYS A 33 -0.673 -16.640 3.291 1.00 0.00 C ATOM 428 O LYS A 33 -0.160 -17.493 3.989 1.00 0.00 O ATOM 429 CB LYS A 33 -0.315 -18.225 1.392 1.00 0.00 C ATOM 430 CG LYS A 33 -0.427 -18.404 -0.123 1.00 0.00 C ATOM 431 CD LYS A 33 0.452 -19.576 -0.565 1.00 0.00 C ATOM 432 CE LYS A 33 1.770 -19.043 -1.128 1.00 0.00 C ATOM 433 NZ LYS A 33 1.543 -18.509 -2.501 1.00 0.00 N ATOM 0 H LYS A 33 -0.472 -15.218 0.412 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.843 -16.706 1.484 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.718 -18.364 1.710 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.910 -18.981 1.903 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.464 -18.588 -0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.117 -17.491 -0.632 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.646 -20.237 0.280 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.065 -20.167 -1.320 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.163 -18.259 -0.481 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.515 -19.838 -1.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.399 -18.651 -3.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.745 -19.010 -2.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.327 -17.493 -2.447 1.00 0.00 H new ATOM 447 N GLY A 34 -1.134 -15.533 3.805 1.00 0.00 N ATOM 448 CA GLY A 34 -1.039 -15.295 5.273 1.00 0.00 C ATOM 449 C GLY A 34 -0.187 -14.052 5.536 1.00 0.00 C ATOM 450 O GLY A 34 -0.101 -13.572 6.649 1.00 0.00 O ATOM 0 H GLY A 34 -1.573 -14.782 3.271 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.035 -15.162 5.695 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.597 -16.162 5.765 1.00 0.00 H new ATOM 454 N LYS A 35 0.445 -13.528 4.521 1.00 0.00 N ATOM 455 CA LYS A 35 1.291 -12.317 4.717 1.00 0.00 C ATOM 456 C LYS A 35 0.798 -11.195 3.800 1.00 0.00 C ATOM 457 O LYS A 35 1.377 -10.927 2.766 1.00 0.00 O ATOM 458 CB LYS A 35 2.745 -12.650 4.376 1.00 0.00 C ATOM 459 CG LYS A 35 3.308 -13.612 5.423 1.00 0.00 C ATOM 460 CD LYS A 35 3.747 -12.824 6.658 1.00 0.00 C ATOM 461 CE LYS A 35 4.093 -13.794 7.789 1.00 0.00 C ATOM 462 NZ LYS A 35 4.250 -13.037 9.063 1.00 0.00 N ATOM 0 H LYS A 35 0.412 -13.886 3.566 1.00 0.00 H new ATOM 0 HA LYS A 35 1.225 -11.993 5.756 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.803 -13.100 3.385 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.341 -11.738 4.347 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.553 -14.349 5.698 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.154 -14.161 5.010 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.612 -12.205 6.419 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.951 -12.150 6.974 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.308 -14.543 7.893 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.014 -14.328 7.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.485 -13.697 9.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.014 -12.339 8.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.361 -12.547 9.287 1.00 0.00 H new ATOM 476 N VAL A 36 -0.266 -10.537 4.171 1.00 0.00 N ATOM 477 CA VAL A 36 -0.792 -9.433 3.319 1.00 0.00 C ATOM 478 C VAL A 36 0.122 -8.214 3.444 1.00 0.00 C ATOM 479 O VAL A 36 0.112 -7.517 4.439 1.00 0.00 O ATOM 480 CB VAL A 36 -2.203 -9.061 3.780 1.00 0.00 C ATOM 481 CG1 VAL A 36 -2.634 -7.761 3.098 1.00 0.00 C ATOM 482 CG2 VAL A 36 -3.175 -10.181 3.401 1.00 0.00 C ATOM 0 H VAL A 36 -0.793 -10.716 5.026 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.823 -9.759 2.279 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.209 -8.925 4.861 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.639 -7.494 3.425 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.942 -6.963 3.366 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.629 -7.898 2.017 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.180 -9.917 3.729 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.170 -10.317 2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.868 -11.108 3.884 1.00 0.00 H new ATOM 492 N GLU A 37 0.914 -7.950 2.440 1.00 0.00 N ATOM 493 CA GLU A 37 1.827 -6.774 2.503 1.00 0.00 C ATOM 494 C GLU A 37 1.276 -5.652 1.622 1.00 0.00 C ATOM 495 O GLU A 37 0.202 -5.758 1.064 1.00 0.00 O ATOM 496 CB GLU A 37 3.215 -7.179 2.002 1.00 0.00 C ATOM 497 CG GLU A 37 3.809 -8.233 2.940 1.00 0.00 C ATOM 498 CD GLU A 37 5.294 -7.941 3.161 1.00 0.00 C ATOM 499 OE1 GLU A 37 5.633 -6.779 3.312 1.00 0.00 O ATOM 500 OE2 GLU A 37 6.068 -8.884 3.174 1.00 0.00 O ATOM 0 H GLU A 37 0.968 -8.497 1.581 1.00 0.00 H new ATOM 0 HA GLU A 37 1.899 -6.425 3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.146 -7.576 0.989 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.867 -6.306 1.959 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.280 -8.226 3.893 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.683 -9.228 2.513 1.00 0.00 H new ATOM 507 N TYR A 38 2.004 -4.576 1.492 1.00 0.00 N ATOM 508 CA TYR A 38 1.520 -3.448 0.647 1.00 0.00 C ATOM 509 C TYR A 38 2.717 -2.727 0.025 1.00 0.00 C ATOM 510 O TYR A 38 3.695 -2.443 0.688 1.00 0.00 O ATOM 511 CB TYR A 38 0.724 -2.468 1.511 1.00 0.00 C ATOM 512 CG TYR A 38 -0.657 -3.024 1.764 1.00 0.00 C ATOM 513 CD1 TYR A 38 -0.864 -3.937 2.807 1.00 0.00 C ATOM 514 CD2 TYR A 38 -1.730 -2.628 0.955 1.00 0.00 C ATOM 515 CE1 TYR A 38 -2.146 -4.453 3.041 1.00 0.00 C ATOM 516 CE2 TYR A 38 -3.012 -3.145 1.189 1.00 0.00 C ATOM 517 CZ TYR A 38 -3.220 -4.057 2.232 1.00 0.00 C ATOM 518 OH TYR A 38 -4.482 -4.565 2.462 1.00 0.00 O ATOM 0 H TYR A 38 2.912 -4.430 1.934 1.00 0.00 H new ATOM 0 HA TYR A 38 0.879 -3.836 -0.145 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.239 -2.300 2.457 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.652 -1.502 1.011 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.036 -4.243 3.430 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.570 -1.925 0.151 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.306 -5.156 3.845 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -3.839 -2.840 0.565 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.584 -4.768 3.415 1.00 0.00 H new ATOM 528 N LEU A 39 2.648 -2.428 -1.243 1.00 0.00 N ATOM 529 CA LEU A 39 3.782 -1.726 -1.908 1.00 0.00 C ATOM 530 C LEU A 39 3.499 -0.223 -1.945 1.00 0.00 C ATOM 531 O LEU A 39 2.739 0.254 -2.764 1.00 0.00 O ATOM 532 CB LEU A 39 3.937 -2.252 -3.336 1.00 0.00 C ATOM 533 CG LEU A 39 5.043 -1.474 -4.050 1.00 0.00 C ATOM 534 CD1 LEU A 39 5.684 -2.361 -5.118 1.00 0.00 C ATOM 535 CD2 LEU A 39 4.445 -0.231 -4.714 1.00 0.00 C ATOM 0 H LEU A 39 1.855 -2.640 -1.848 1.00 0.00 H new ATOM 0 HA LEU A 39 4.701 -1.908 -1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.178 -3.315 -3.319 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.997 -2.147 -3.877 1.00 0.00 H new ATOM 0 HG LEU A 39 5.800 -1.172 -3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.472 -1.806 -5.627 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.110 -3.247 -4.647 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.927 -2.663 -5.842 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.233 0.324 -5.223 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.688 -0.534 -5.438 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.987 0.403 -3.954 1.00 0.00 H new ATOM 547 N LEU A 40 4.103 0.527 -1.063 1.00 0.00 N ATOM 548 CA LEU A 40 3.866 1.998 -1.049 1.00 0.00 C ATOM 549 C LEU A 40 5.036 2.714 -1.727 1.00 0.00 C ATOM 550 O LEU A 40 6.104 2.161 -1.891 1.00 0.00 O ATOM 551 CB LEU A 40 3.747 2.483 0.398 1.00 0.00 C ATOM 552 CG LEU A 40 2.645 1.699 1.112 1.00 0.00 C ATOM 553 CD1 LEU A 40 3.268 0.542 1.896 1.00 0.00 C ATOM 554 CD2 LEU A 40 1.905 2.627 2.077 1.00 0.00 C ATOM 0 H LEU A 40 4.750 0.184 -0.352 1.00 0.00 H new ATOM 0 HA LEU A 40 2.944 2.219 -1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.697 2.350 0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.520 3.549 0.418 1.00 0.00 H new ATOM 0 HG LEU A 40 1.944 1.304 0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.483 -0.017 2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.798 -0.119 1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.968 0.937 2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.119 2.070 2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.606 3.021 2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.462 3.452 1.520 1.00 0.00 H new ATOM 566 N LYS A 41 4.843 3.946 -2.115 1.00 0.00 N ATOM 567 CA LYS A 41 5.943 4.701 -2.776 1.00 0.00 C ATOM 568 C LYS A 41 6.642 5.583 -1.740 1.00 0.00 C ATOM 569 O LYS A 41 6.067 5.950 -0.734 1.00 0.00 O ATOM 570 CB LYS A 41 5.365 5.580 -3.887 1.00 0.00 C ATOM 571 CG LYS A 41 6.505 6.180 -4.710 1.00 0.00 C ATOM 572 CD LYS A 41 5.973 7.343 -5.550 1.00 0.00 C ATOM 573 CE LYS A 41 6.164 8.655 -4.785 1.00 0.00 C ATOM 574 NZ LYS A 41 6.516 9.742 -5.742 1.00 0.00 N ATOM 0 H LYS A 41 3.970 4.461 -2.002 1.00 0.00 H new ATOM 0 HA LYS A 41 6.660 4.001 -3.205 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.711 4.990 -4.529 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.756 6.375 -3.456 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.300 6.528 -4.050 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.939 5.419 -5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.498 7.386 -6.504 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.917 7.191 -5.774 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.251 8.911 -4.247 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.952 8.543 -4.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.453 10.124 -5.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.533 9.361 -6.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.807 10.501 -5.682 1.00 0.00 H new ATOM 588 N TRP A 42 7.880 5.927 -1.972 1.00 0.00 N ATOM 589 CA TRP A 42 8.610 6.783 -0.996 1.00 0.00 C ATOM 590 C TRP A 42 9.347 7.897 -1.742 1.00 0.00 C ATOM 591 O TRP A 42 10.215 7.645 -2.554 1.00 0.00 O ATOM 592 CB TRP A 42 9.619 5.931 -0.226 1.00 0.00 C ATOM 593 CG TRP A 42 8.900 4.840 0.500 1.00 0.00 C ATOM 594 CD1 TRP A 42 8.637 3.613 -0.004 1.00 0.00 C ATOM 595 CD2 TRP A 42 8.347 4.856 1.848 1.00 0.00 C ATOM 596 NE1 TRP A 42 7.959 2.874 0.948 1.00 0.00 N ATOM 597 CE2 TRP A 42 7.756 3.597 2.107 1.00 0.00 C ATOM 598 CE3 TRP A 42 8.302 5.834 2.860 1.00 0.00 C ATOM 599 CZ2 TRP A 42 7.143 3.317 3.329 1.00 0.00 C ATOM 600 CZ3 TRP A 42 7.685 5.556 4.092 1.00 0.00 C ATOM 601 CH2 TRP A 42 7.107 4.298 4.325 1.00 0.00 C ATOM 0 H TRP A 42 8.416 5.652 -2.795 1.00 0.00 H new ATOM 0 HA TRP A 42 7.898 7.224 -0.298 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.350 5.505 -0.913 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.170 6.551 0.481 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.912 3.267 -0.989 1.00 0.00 H new ATOM 0 HE1 TRP A 42 7.647 1.913 0.811 1.00 0.00 H new ATOM 0 HE3 TRP A 42 8.744 6.804 2.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 6.699 2.348 3.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 7.655 6.313 4.862 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.635 4.088 5.273 1.00 0.00 H new ATOM 612 N LYS A 43 9.008 9.127 -1.472 1.00 0.00 N ATOM 613 CA LYS A 43 9.691 10.256 -2.165 1.00 0.00 C ATOM 614 C LYS A 43 11.002 10.578 -1.445 1.00 0.00 C ATOM 615 O LYS A 43 11.095 10.492 -0.237 1.00 0.00 O ATOM 616 CB LYS A 43 8.784 11.488 -2.148 1.00 0.00 C ATOM 617 CG LYS A 43 8.673 12.022 -0.719 1.00 0.00 C ATOM 618 CD LYS A 43 7.994 13.393 -0.737 1.00 0.00 C ATOM 619 CE LYS A 43 6.519 13.227 -1.109 1.00 0.00 C ATOM 620 NZ LYS A 43 5.667 13.778 -0.018 1.00 0.00 N ATOM 0 H LYS A 43 8.288 9.399 -0.802 1.00 0.00 H new ATOM 0 HA LYS A 43 9.903 9.975 -3.197 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.188 12.259 -2.805 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.796 11.230 -2.529 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.099 11.329 -0.104 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.664 12.101 -0.271 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.082 13.867 0.240 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.490 14.047 -1.455 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.309 13.744 -2.045 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.289 12.173 -1.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.664 13.666 -0.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.861 13.266 0.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.880 14.788 0.113 1.00 0.00 H new ATOM 634 N GLY A 44 12.017 10.950 -2.178 1.00 0.00 N ATOM 635 CA GLY A 44 13.320 11.277 -1.534 1.00 0.00 C ATOM 636 C GLY A 44 14.370 10.245 -1.953 1.00 0.00 C ATOM 637 O GLY A 44 15.553 10.520 -1.967 1.00 0.00 O ATOM 0 H GLY A 44 11.999 11.041 -3.194 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.641 12.277 -1.826 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.211 11.281 -0.449 1.00 0.00 H new ATOM 641 N PHE A 45 13.945 9.060 -2.294 1.00 0.00 N ATOM 642 CA PHE A 45 14.918 8.012 -2.713 1.00 0.00 C ATOM 643 C PHE A 45 15.046 8.016 -4.237 1.00 0.00 C ATOM 644 O PHE A 45 15.997 8.534 -4.788 1.00 0.00 O ATOM 645 CB PHE A 45 14.420 6.640 -2.248 1.00 0.00 C ATOM 646 CG PHE A 45 15.096 6.271 -0.950 1.00 0.00 C ATOM 647 CD1 PHE A 45 16.481 6.438 -0.810 1.00 0.00 C ATOM 648 CD2 PHE A 45 14.341 5.761 0.113 1.00 0.00 C ATOM 649 CE1 PHE A 45 17.109 6.094 0.395 1.00 0.00 C ATOM 650 CE2 PHE A 45 14.969 5.416 1.318 1.00 0.00 C ATOM 651 CZ PHE A 45 16.353 5.584 1.459 1.00 0.00 C ATOM 0 H PHE A 45 12.967 8.772 -2.301 1.00 0.00 H new ATOM 0 HA PHE A 45 15.890 8.218 -2.265 1.00 0.00 H new ATOM 0 HB2 PHE A 45 13.338 6.660 -2.114 1.00 0.00 H new ATOM 0 HB3 PHE A 45 14.633 5.888 -3.008 1.00 0.00 H new ATOM 0 HD1 PHE A 45 17.064 6.831 -1.630 1.00 0.00 H new ATOM 0 HD2 PHE A 45 13.274 5.633 0.005 1.00 0.00 H new ATOM 0 HE1 PHE A 45 18.176 6.222 0.503 1.00 0.00 H new ATOM 0 HE2 PHE A 45 14.386 5.021 2.137 1.00 0.00 H new ATOM 0 HZ PHE A 45 16.837 5.320 2.388 1.00 0.00 H new ATOM 661 N SER A 46 14.096 7.441 -4.923 1.00 0.00 N ATOM 662 CA SER A 46 14.162 7.413 -6.410 1.00 0.00 C ATOM 663 C SER A 46 12.772 7.688 -6.986 1.00 0.00 C ATOM 664 O SER A 46 12.474 7.337 -8.110 1.00 0.00 O ATOM 665 CB SER A 46 14.644 6.037 -6.873 1.00 0.00 C ATOM 666 OG SER A 46 13.622 5.078 -6.633 1.00 0.00 O ATOM 0 H SER A 46 13.277 6.989 -4.517 1.00 0.00 H new ATOM 0 HA SER A 46 14.857 8.177 -6.758 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.892 6.064 -7.934 1.00 0.00 H new ATOM 0 HB3 SER A 46 15.553 5.759 -6.340 1.00 0.00 H new ATOM 0 HG SER A 46 13.926 4.195 -6.930 1.00 0.00 H new ATOM 672 N ASP A 47 11.918 8.313 -6.222 1.00 0.00 N ATOM 673 CA ASP A 47 10.546 8.609 -6.723 1.00 0.00 C ATOM 674 C ASP A 47 9.807 7.296 -6.989 1.00 0.00 C ATOM 675 O ASP A 47 8.853 7.250 -7.741 1.00 0.00 O ATOM 676 CB ASP A 47 10.638 9.418 -8.018 1.00 0.00 C ATOM 677 CG ASP A 47 11.713 10.497 -7.871 1.00 0.00 C ATOM 678 OD1 ASP A 47 11.504 11.412 -7.092 1.00 0.00 O ATOM 679 OD2 ASP A 47 12.727 10.389 -8.541 1.00 0.00 O ATOM 0 H ASP A 47 12.111 8.631 -5.272 1.00 0.00 H new ATOM 0 HA ASP A 47 10.002 9.186 -5.975 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.879 8.761 -8.853 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.675 9.877 -8.242 1.00 0.00 H new ATOM 684 N GLU A 48 10.240 6.230 -6.376 1.00 0.00 N ATOM 685 CA GLU A 48 9.567 4.919 -6.589 1.00 0.00 C ATOM 686 C GLU A 48 10.476 3.799 -6.082 1.00 0.00 C ATOM 687 O GLU A 48 11.112 3.105 -6.852 1.00 0.00 O ATOM 688 CB GLU A 48 9.289 4.718 -8.079 1.00 0.00 C ATOM 689 CG GLU A 48 10.491 5.201 -8.894 1.00 0.00 C ATOM 690 CD GLU A 48 10.588 4.393 -10.189 1.00 0.00 C ATOM 691 OE1 GLU A 48 10.468 3.181 -10.119 1.00 0.00 O ATOM 692 OE2 GLU A 48 10.779 5.000 -11.230 1.00 0.00 O ATOM 0 H GLU A 48 11.033 6.210 -5.735 1.00 0.00 H new ATOM 0 HA GLU A 48 8.623 4.901 -6.044 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.096 3.665 -8.285 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.394 5.268 -8.370 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.387 6.262 -9.122 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.406 5.088 -8.313 1.00 0.00 H new ATOM 699 N ASP A 49 10.545 3.620 -4.792 1.00 0.00 N ATOM 700 CA ASP A 49 11.416 2.550 -4.234 1.00 0.00 C ATOM 701 C ASP A 49 10.600 1.267 -4.058 1.00 0.00 C ATOM 702 O ASP A 49 11.141 0.186 -3.945 1.00 0.00 O ATOM 703 CB ASP A 49 11.963 2.999 -2.876 1.00 0.00 C ATOM 704 CG ASP A 49 13.135 2.103 -2.474 1.00 0.00 C ATOM 705 OD1 ASP A 49 12.889 1.085 -1.848 1.00 0.00 O ATOM 706 OD2 ASP A 49 14.259 2.448 -2.799 1.00 0.00 O ATOM 0 H ASP A 49 10.035 4.169 -4.100 1.00 0.00 H new ATOM 0 HA ASP A 49 12.245 2.361 -4.916 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.288 4.038 -2.929 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.178 2.949 -2.122 1.00 0.00 H new ATOM 711 N ASN A 50 9.300 1.379 -4.038 1.00 0.00 N ATOM 712 CA ASN A 50 8.449 0.166 -3.872 1.00 0.00 C ATOM 713 C ASN A 50 8.895 -0.607 -2.631 1.00 0.00 C ATOM 714 O ASN A 50 9.896 -1.295 -2.641 1.00 0.00 O ATOM 715 CB ASN A 50 8.591 -0.726 -5.106 1.00 0.00 C ATOM 716 CG ASN A 50 8.332 0.099 -6.368 1.00 0.00 C ATOM 717 OD1 ASN A 50 7.441 0.925 -6.395 1.00 0.00 O ATOM 718 ND2 ASN A 50 9.078 -0.088 -7.421 1.00 0.00 N ATOM 0 H ASN A 50 8.790 2.258 -4.129 1.00 0.00 H new ATOM 0 HA ASN A 50 7.408 0.466 -3.756 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.591 -1.159 -5.141 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.886 -1.556 -5.051 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.913 0.459 -8.266 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.826 -0.781 -7.399 1.00 0.00 H new ATOM 725 N THR A 51 8.158 -0.502 -1.558 1.00 0.00 N ATOM 726 CA THR A 51 8.540 -1.234 -0.317 1.00 0.00 C ATOM 727 C THR A 51 7.370 -2.108 0.141 1.00 0.00 C ATOM 728 O THR A 51 6.269 -1.635 0.339 1.00 0.00 O ATOM 729 CB THR A 51 8.884 -0.227 0.784 1.00 0.00 C ATOM 730 OG1 THR A 51 9.600 0.862 0.220 1.00 0.00 O ATOM 731 CG2 THR A 51 9.744 -0.910 1.849 1.00 0.00 C ATOM 0 H THR A 51 7.309 0.059 -1.488 1.00 0.00 H new ATOM 0 HA THR A 51 9.407 -1.863 -0.519 1.00 0.00 H new ATOM 0 HB THR A 51 7.966 0.141 1.242 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.331 1.694 0.662 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.989 -0.194 2.633 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.193 -1.746 2.280 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.663 -1.278 1.393 1.00 0.00 H new ATOM 739 N TRP A 52 7.602 -3.381 0.311 1.00 0.00 N ATOM 740 CA TRP A 52 6.503 -4.284 0.755 1.00 0.00 C ATOM 741 C TRP A 52 6.520 -4.394 2.281 1.00 0.00 C ATOM 742 O TRP A 52 7.437 -4.937 2.866 1.00 0.00 O ATOM 743 CB TRP A 52 6.705 -5.672 0.142 1.00 0.00 C ATOM 744 CG TRP A 52 6.718 -5.562 -1.349 1.00 0.00 C ATOM 745 CD1 TRP A 52 7.832 -5.472 -2.114 1.00 0.00 C ATOM 746 CD2 TRP A 52 5.589 -5.526 -2.269 1.00 0.00 C ATOM 747 NE1 TRP A 52 7.456 -5.385 -3.439 1.00 0.00 N ATOM 748 CE2 TRP A 52 6.091 -5.414 -3.586 1.00 0.00 C ATOM 749 CE3 TRP A 52 4.192 -5.580 -2.096 1.00 0.00 C ATOM 750 CZ2 TRP A 52 5.251 -5.356 -4.689 1.00 0.00 C ATOM 751 CZ3 TRP A 52 3.335 -5.522 -3.209 1.00 0.00 C ATOM 752 CH2 TRP A 52 3.864 -5.412 -4.505 1.00 0.00 C ATOM 0 H TRP A 52 8.504 -3.834 0.162 1.00 0.00 H new ATOM 0 HA TRP A 52 5.545 -3.879 0.430 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.642 -6.104 0.494 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.906 -6.342 0.461 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.848 -5.469 -1.747 1.00 0.00 H new ATOM 0 HE1 TRP A 52 8.113 -5.308 -4.216 1.00 0.00 H new ATOM 0 HE3 TRP A 52 3.777 -5.666 -1.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.664 -5.268 -5.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.265 -5.562 -3.067 1.00 0.00 H new ATOM 0 HH2 TRP A 52 3.203 -5.371 -5.358 1.00 0.00 H new ATOM 763 N GLU A 53 5.510 -3.883 2.933 1.00 0.00 N ATOM 764 CA GLU A 53 5.469 -3.957 4.421 1.00 0.00 C ATOM 765 C GLU A 53 4.189 -4.677 4.859 1.00 0.00 C ATOM 766 O GLU A 53 3.193 -4.646 4.164 1.00 0.00 O ATOM 767 CB GLU A 53 5.484 -2.543 5.004 1.00 0.00 C ATOM 768 CG GLU A 53 6.709 -2.374 5.905 1.00 0.00 C ATOM 769 CD GLU A 53 7.405 -1.052 5.577 1.00 0.00 C ATOM 770 OE1 GLU A 53 6.952 -0.030 6.065 1.00 0.00 O ATOM 771 OE2 GLU A 53 8.379 -1.084 4.843 1.00 0.00 O ATOM 0 H GLU A 53 4.712 -3.418 2.499 1.00 0.00 H new ATOM 0 HA GLU A 53 6.338 -4.506 4.782 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.507 -1.807 4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.573 -2.364 5.574 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.408 -2.389 6.953 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.398 -3.206 5.760 1.00 0.00 H new ATOM 778 N PRO A 54 4.258 -5.304 6.005 1.00 0.00 N ATOM 779 CA PRO A 54 3.120 -6.046 6.574 1.00 0.00 C ATOM 780 C PRO A 54 2.118 -5.078 7.209 1.00 0.00 C ATOM 781 O PRO A 54 2.484 -4.183 7.944 1.00 0.00 O ATOM 782 CB PRO A 54 3.768 -6.938 7.636 1.00 0.00 C ATOM 783 CG PRO A 54 5.111 -6.264 8.011 1.00 0.00 C ATOM 784 CD PRO A 54 5.477 -5.333 6.839 1.00 0.00 C ATOM 0 HA PRO A 54 2.562 -6.616 5.831 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.123 -7.033 8.510 1.00 0.00 H new ATOM 0 HB3 PRO A 54 3.932 -7.944 7.251 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.016 -5.700 8.939 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.889 -7.011 8.170 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.743 -4.336 7.190 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.333 -5.713 6.281 1.00 0.00 H new ATOM 792 N GLU A 55 0.854 -5.250 6.931 1.00 0.00 N ATOM 793 CA GLU A 55 -0.169 -4.339 7.518 1.00 0.00 C ATOM 794 C GLU A 55 -0.216 -4.535 9.036 1.00 0.00 C ATOM 795 O GLU A 55 -0.846 -3.780 9.748 1.00 0.00 O ATOM 796 CB GLU A 55 -1.539 -4.661 6.920 1.00 0.00 C ATOM 797 CG GLU A 55 -1.989 -6.047 7.384 1.00 0.00 C ATOM 798 CD GLU A 55 -3.402 -6.326 6.869 1.00 0.00 C ATOM 799 OE1 GLU A 55 -3.952 -5.459 6.209 1.00 0.00 O ATOM 800 OE2 GLU A 55 -3.911 -7.399 7.143 1.00 0.00 O ATOM 0 H GLU A 55 0.486 -5.982 6.323 1.00 0.00 H new ATOM 0 HA GLU A 55 0.092 -3.305 7.293 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.267 -3.910 7.227 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.488 -4.630 5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.300 -6.807 7.015 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.970 -6.101 8.472 1.00 0.00 H new ATOM 807 N GLU A 56 0.447 -5.543 9.534 1.00 0.00 N ATOM 808 CA GLU A 56 0.438 -5.784 11.005 1.00 0.00 C ATOM 809 C GLU A 56 1.597 -5.025 11.654 1.00 0.00 C ATOM 810 O GLU A 56 2.158 -5.455 12.642 1.00 0.00 O ATOM 811 CB GLU A 56 0.595 -7.282 11.276 1.00 0.00 C ATOM 812 CG GLU A 56 -0.131 -8.077 10.189 1.00 0.00 C ATOM 813 CD GLU A 56 -0.074 -9.568 10.523 1.00 0.00 C ATOM 814 OE1 GLU A 56 0.985 -10.152 10.360 1.00 0.00 O ATOM 815 OE2 GLU A 56 -1.090 -10.102 10.937 1.00 0.00 O ATOM 0 H GLU A 56 0.993 -6.209 8.987 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.505 -5.434 11.425 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.651 -7.550 11.293 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.187 -7.530 12.256 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.168 -7.749 10.115 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.331 -7.893 9.219 1.00 0.00 H new ATOM 822 N ASN A 57 1.963 -3.898 11.104 1.00 0.00 N ATOM 823 CA ASN A 57 3.085 -3.114 11.691 1.00 0.00 C ATOM 824 C ASN A 57 2.990 -1.659 11.225 1.00 0.00 C ATOM 825 O ASN A 57 3.244 -0.739 11.976 1.00 0.00 O ATOM 826 CB ASN A 57 4.418 -3.710 11.233 1.00 0.00 C ATOM 827 CG ASN A 57 4.927 -4.693 12.288 1.00 0.00 C ATOM 828 OD1 ASN A 57 5.316 -4.295 13.367 1.00 0.00 O ATOM 829 ND2 ASN A 57 4.941 -5.970 12.020 1.00 0.00 N ATOM 0 H ASN A 57 1.533 -3.488 10.275 1.00 0.00 H new ATOM 0 HA ASN A 57 3.024 -3.152 12.779 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.292 -4.219 10.277 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.149 -2.916 11.077 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.279 -6.634 12.717 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.614 -6.304 11.114 1.00 0.00 H new ATOM 836 N LEU A 58 2.625 -1.444 9.990 1.00 0.00 N ATOM 837 CA LEU A 58 2.514 -0.048 9.479 1.00 0.00 C ATOM 838 C LEU A 58 1.486 0.719 10.312 1.00 0.00 C ATOM 839 O LEU A 58 0.644 0.138 10.967 1.00 0.00 O ATOM 840 CB LEU A 58 2.067 -0.076 8.016 1.00 0.00 C ATOM 841 CG LEU A 58 3.289 0.051 7.107 1.00 0.00 C ATOM 842 CD1 LEU A 58 2.886 -0.247 5.661 1.00 0.00 C ATOM 843 CD2 LEU A 58 3.845 1.475 7.197 1.00 0.00 C ATOM 0 H LEU A 58 2.399 -2.174 9.314 1.00 0.00 H new ATOM 0 HA LEU A 58 3.483 0.446 9.554 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.538 -1.005 7.804 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.370 0.739 7.822 1.00 0.00 H new ATOM 0 HG LEU A 58 4.052 -0.660 7.425 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.758 -0.156 5.014 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.490 -1.260 5.595 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.123 0.463 5.342 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.717 1.567 6.549 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.081 2.185 6.880 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.134 1.688 8.226 1.00 0.00 H new ATOM 855 N ASP A 59 1.549 2.023 10.294 1.00 0.00 N ATOM 856 CA ASP A 59 0.575 2.827 11.086 1.00 0.00 C ATOM 857 C ASP A 59 -0.229 3.726 10.145 1.00 0.00 C ATOM 858 O ASP A 59 -0.506 4.869 10.449 1.00 0.00 O ATOM 859 CB ASP A 59 1.331 3.691 12.097 1.00 0.00 C ATOM 860 CG ASP A 59 1.040 3.191 13.514 1.00 0.00 C ATOM 861 OD1 ASP A 59 1.480 2.100 13.837 1.00 0.00 O ATOM 862 OD2 ASP A 59 0.384 3.908 14.251 1.00 0.00 O ATOM 0 H ASP A 59 2.232 2.566 9.766 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.103 2.158 11.616 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.402 3.650 11.898 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.029 4.734 11.998 1.00 0.00 H new ATOM 867 N CYS A 60 -0.607 3.219 9.003 1.00 0.00 N ATOM 868 CA CYS A 60 -1.393 4.045 8.044 1.00 0.00 C ATOM 869 C CYS A 60 -2.529 3.202 7.456 1.00 0.00 C ATOM 870 O CYS A 60 -2.397 2.653 6.380 1.00 0.00 O ATOM 871 CB CYS A 60 -0.479 4.527 6.916 1.00 0.00 C ATOM 872 SG CYS A 60 0.384 3.110 6.192 1.00 0.00 S ATOM 0 H CYS A 60 -0.405 2.268 8.693 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.811 4.906 8.565 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.065 5.039 6.152 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.242 5.248 7.301 1.00 0.00 H new ATOM 0 HG CYS A 60 -0.475 2.175 5.913 1.00 0.00 H new ATOM 878 N PRO A 61 -3.613 3.127 8.184 1.00 0.00 N ATOM 879 CA PRO A 61 -4.798 2.359 7.767 1.00 0.00 C ATOM 880 C PRO A 61 -5.600 3.139 6.721 1.00 0.00 C ATOM 881 O PRO A 61 -6.538 2.631 6.138 1.00 0.00 O ATOM 882 CB PRO A 61 -5.596 2.199 9.063 1.00 0.00 C ATOM 883 CG PRO A 61 -5.135 3.340 10.003 1.00 0.00 C ATOM 884 CD PRO A 61 -3.757 3.800 9.490 1.00 0.00 C ATOM 0 HA PRO A 61 -4.550 1.403 7.306 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.667 2.263 8.870 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.411 1.225 9.515 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.848 4.164 9.991 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.068 2.991 11.033 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.712 4.884 9.386 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.960 3.512 10.176 1.00 0.00 H new ATOM 892 N ASP A 62 -5.237 4.368 6.476 1.00 0.00 N ATOM 893 CA ASP A 62 -5.978 5.177 5.469 1.00 0.00 C ATOM 894 C ASP A 62 -5.459 4.833 4.074 1.00 0.00 C ATOM 895 O ASP A 62 -6.196 4.837 3.106 1.00 0.00 O ATOM 896 CB ASP A 62 -5.757 6.666 5.744 1.00 0.00 C ATOM 897 CG ASP A 62 -7.109 7.375 5.835 1.00 0.00 C ATOM 898 OD1 ASP A 62 -7.963 7.087 5.014 1.00 0.00 O ATOM 899 OD2 ASP A 62 -7.268 8.192 6.727 1.00 0.00 O ATOM 0 H ASP A 62 -4.459 4.847 6.930 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.043 4.955 5.531 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.203 6.797 6.674 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.156 7.108 4.950 1.00 0.00 H new ATOM 904 N LEU A 63 -4.196 4.528 3.962 1.00 0.00 N ATOM 905 CA LEU A 63 -3.633 4.180 2.632 1.00 0.00 C ATOM 906 C LEU A 63 -3.882 2.697 2.362 1.00 0.00 C ATOM 907 O LEU A 63 -4.095 2.286 1.238 1.00 0.00 O ATOM 908 CB LEU A 63 -2.129 4.460 2.618 1.00 0.00 C ATOM 909 CG LEU A 63 -1.822 5.668 3.504 1.00 0.00 C ATOM 910 CD1 LEU A 63 -0.356 6.071 3.328 1.00 0.00 C ATOM 911 CD2 LEU A 63 -2.723 6.838 3.100 1.00 0.00 C ATOM 0 H LEU A 63 -3.531 4.505 4.735 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.113 4.782 1.860 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.583 3.587 2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.794 4.650 1.598 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.005 5.409 4.547 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.137 6.932 3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.287 5.239 3.614 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.172 6.330 2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.505 7.700 3.731 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.539 7.096 2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.768 6.552 3.224 1.00 0.00 H new ATOM 923 N ILE A 64 -3.867 1.891 3.388 1.00 0.00 N ATOM 924 CA ILE A 64 -4.110 0.437 3.195 1.00 0.00 C ATOM 925 C ILE A 64 -5.583 0.218 2.849 1.00 0.00 C ATOM 926 O ILE A 64 -5.944 -0.757 2.225 1.00 0.00 O ATOM 927 CB ILE A 64 -3.769 -0.315 4.483 1.00 0.00 C ATOM 928 CG1 ILE A 64 -2.250 -0.327 4.677 1.00 0.00 C ATOM 929 CG2 ILE A 64 -4.280 -1.753 4.386 1.00 0.00 C ATOM 930 CD1 ILE A 64 -1.924 -0.530 6.157 1.00 0.00 C ATOM 0 H ILE A 64 -3.697 2.179 4.352 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.483 0.064 2.385 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.242 0.182 5.330 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.804 -1.125 4.083 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.821 0.611 4.325 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.037 -2.288 5.304 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.361 -1.746 4.245 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.807 -2.251 3.539 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.843 -0.538 6.294 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.357 0.283 6.740 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.340 -1.480 6.494 1.00 0.00 H new ATOM 942 N ALA A 65 -6.434 1.123 3.252 1.00 0.00 N ATOM 943 CA ALA A 65 -7.887 0.983 2.948 1.00 0.00 C ATOM 944 C ALA A 65 -8.283 1.982 1.853 1.00 0.00 C ATOM 945 O ALA A 65 -9.423 2.044 1.440 1.00 0.00 O ATOM 946 CB ALA A 65 -8.700 1.265 4.212 1.00 0.00 C ATOM 0 H ALA A 65 -6.183 1.958 3.782 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.088 -0.031 2.602 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.763 1.163 3.991 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.421 0.554 4.990 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.497 2.279 4.557 1.00 0.00 H new ATOM 952 N GLU A 66 -7.349 2.769 1.385 1.00 0.00 N ATOM 953 CA GLU A 66 -7.670 3.767 0.321 1.00 0.00 C ATOM 954 C GLU A 66 -7.515 3.114 -1.051 1.00 0.00 C ATOM 955 O GLU A 66 -8.380 3.210 -1.900 1.00 0.00 O ATOM 956 CB GLU A 66 -6.710 4.955 0.430 1.00 0.00 C ATOM 957 CG GLU A 66 -7.435 6.141 1.070 1.00 0.00 C ATOM 958 CD GLU A 66 -8.069 7.003 -0.023 1.00 0.00 C ATOM 959 OE1 GLU A 66 -7.758 6.779 -1.181 1.00 0.00 O ATOM 960 OE2 GLU A 66 -8.855 7.872 0.318 1.00 0.00 O ATOM 0 H GLU A 66 -6.377 2.764 1.694 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.695 4.115 0.446 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.841 4.680 1.028 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.342 5.231 -0.558 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.202 5.784 1.757 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.734 6.736 1.656 1.00 0.00 H new ATOM 967 N PHE A 67 -6.426 2.431 -1.269 1.00 0.00 N ATOM 968 CA PHE A 67 -6.219 1.748 -2.574 1.00 0.00 C ATOM 969 C PHE A 67 -6.820 0.352 -2.460 1.00 0.00 C ATOM 970 O PHE A 67 -7.145 -0.289 -3.439 1.00 0.00 O ATOM 971 CB PHE A 67 -4.720 1.648 -2.874 1.00 0.00 C ATOM 972 CG PHE A 67 -4.488 0.651 -3.984 1.00 0.00 C ATOM 973 CD1 PHE A 67 -4.742 1.009 -5.314 1.00 0.00 C ATOM 974 CD2 PHE A 67 -4.018 -0.635 -3.682 1.00 0.00 C ATOM 975 CE1 PHE A 67 -4.526 0.082 -6.343 1.00 0.00 C ATOM 976 CE2 PHE A 67 -3.802 -1.561 -4.711 1.00 0.00 C ATOM 977 CZ PHE A 67 -4.056 -1.203 -6.041 1.00 0.00 C ATOM 0 H PHE A 67 -5.668 2.317 -0.596 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.694 2.305 -3.381 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.331 2.625 -3.162 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.180 1.342 -1.978 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.104 1.999 -5.547 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.823 -0.912 -2.657 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.722 0.358 -7.369 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.439 -2.551 -4.478 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.890 -1.917 -6.834 1.00 0.00 H new ATOM 987 N LEU A 68 -6.977 -0.108 -1.253 1.00 0.00 N ATOM 988 CA LEU A 68 -7.565 -1.445 -1.014 1.00 0.00 C ATOM 989 C LEU A 68 -8.822 -1.613 -1.872 1.00 0.00 C ATOM 990 O LEU A 68 -8.976 -2.586 -2.582 1.00 0.00 O ATOM 991 CB LEU A 68 -7.943 -1.528 0.463 1.00 0.00 C ATOM 992 CG LEU A 68 -7.319 -2.771 1.100 1.00 0.00 C ATOM 993 CD1 LEU A 68 -8.014 -3.064 2.431 1.00 0.00 C ATOM 994 CD2 LEU A 68 -7.487 -3.973 0.165 1.00 0.00 C ATOM 0 H LEU A 68 -6.716 0.399 -0.407 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.853 -2.229 -1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.602 -0.633 0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.027 -1.563 0.567 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.257 -2.592 1.271 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.570 -3.950 2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.892 -2.212 3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.076 -3.239 2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.041 -4.856 0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.548 -4.152 -0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.992 -3.768 -0.784 1.00 0.00 H new ATOM 1006 N GLN A 69 -9.723 -0.671 -1.805 1.00 0.00 N ATOM 1007 CA GLN A 69 -10.975 -0.774 -2.608 1.00 0.00 C ATOM 1008 C GLN A 69 -10.746 -0.174 -3.997 1.00 0.00 C ATOM 1009 O GLN A 69 -11.230 -0.682 -4.990 1.00 0.00 O ATOM 1010 CB GLN A 69 -12.096 -0.009 -1.903 1.00 0.00 C ATOM 1011 CG GLN A 69 -13.329 -0.906 -1.784 1.00 0.00 C ATOM 1012 CD GLN A 69 -14.431 -0.162 -1.025 1.00 0.00 C ATOM 1013 OE1 GLN A 69 -15.354 0.352 -1.624 1.00 0.00 O ATOM 1014 NE2 GLN A 69 -14.371 -0.083 0.275 1.00 0.00 N ATOM 0 H GLN A 69 -9.646 0.167 -1.228 1.00 0.00 H new ATOM 0 HA GLN A 69 -11.255 -1.823 -2.708 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.767 0.309 -0.913 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -12.342 0.894 -2.462 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -13.683 -1.189 -2.775 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.072 -1.828 -1.262 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -13.595 -0.515 0.777 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -15.100 0.411 0.790 1.00 0.00 H new ATOM 1023 N SER A 70 -10.014 0.901 -4.077 1.00 0.00 N ATOM 1024 CA SER A 70 -9.759 1.532 -5.403 1.00 0.00 C ATOM 1025 C SER A 70 -9.137 0.501 -6.349 1.00 0.00 C ATOM 1026 O SER A 70 -9.129 0.673 -7.552 1.00 0.00 O ATOM 1027 CB SER A 70 -8.801 2.709 -5.233 1.00 0.00 C ATOM 1028 OG SER A 70 -9.177 3.457 -4.082 1.00 0.00 O ATOM 0 H SER A 70 -9.581 1.371 -3.282 1.00 0.00 H new ATOM 0 HA SER A 70 -10.701 1.888 -5.821 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.778 2.348 -5.128 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.826 3.344 -6.118 1.00 0.00 H new ATOM 0 HG SER A 70 -8.656 3.153 -3.310 1.00 0.00 H new ATOM 1034 N GLN A 71 -8.617 -0.570 -5.816 1.00 0.00 N ATOM 1035 CA GLN A 71 -7.999 -1.610 -6.684 1.00 0.00 C ATOM 1036 C GLN A 71 -9.076 -2.227 -7.575 1.00 0.00 C ATOM 1037 O GLN A 71 -8.864 -2.473 -8.746 1.00 0.00 O ATOM 1038 CB GLN A 71 -7.372 -2.698 -5.811 1.00 0.00 C ATOM 1039 CG GLN A 71 -8.479 -3.513 -5.139 1.00 0.00 C ATOM 1040 CD GLN A 71 -7.870 -4.397 -4.049 1.00 0.00 C ATOM 1041 OE1 GLN A 71 -6.668 -4.430 -3.877 1.00 0.00 O ATOM 1042 NE2 GLN A 71 -8.655 -5.123 -3.301 1.00 0.00 N ATOM 0 H GLN A 71 -8.594 -0.770 -4.816 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.226 -1.157 -7.305 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.744 -3.349 -6.418 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.728 -2.247 -5.056 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.225 -2.846 -4.707 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.992 -4.129 -5.878 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.664 -5.096 -3.445 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.259 -5.717 -2.573 1.00 0.00 H new ATOM 1051 N LYS A 72 -10.233 -2.478 -7.028 1.00 0.00 N ATOM 1052 CA LYS A 72 -11.327 -3.077 -7.840 1.00 0.00 C ATOM 1053 C LYS A 72 -12.249 -1.965 -8.346 1.00 0.00 C ATOM 1054 O LYS A 72 -13.349 -2.213 -8.797 1.00 0.00 O ATOM 1055 CB LYS A 72 -12.131 -4.051 -6.975 1.00 0.00 C ATOM 1056 CG LYS A 72 -12.933 -3.267 -5.934 1.00 0.00 C ATOM 1057 CD LYS A 72 -13.222 -4.166 -4.730 1.00 0.00 C ATOM 1058 CE LYS A 72 -14.635 -4.740 -4.848 1.00 0.00 C ATOM 1059 NZ LYS A 72 -14.629 -6.166 -4.416 1.00 0.00 N ATOM 0 H LYS A 72 -10.468 -2.294 -6.053 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.900 -3.613 -8.688 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.803 -4.639 -7.600 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.460 -4.753 -6.480 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.375 -2.386 -5.618 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.867 -2.913 -6.370 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.493 -4.975 -4.683 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.126 -3.596 -3.806 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -15.325 -4.165 -4.231 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.986 -4.662 -5.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.589 -6.557 -4.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.982 -6.710 -5.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.311 -6.228 -3.428 1.00 0.00 H new ATOM 1073 N THR A 73 -11.806 -0.739 -8.274 1.00 0.00 N ATOM 1074 CA THR A 73 -12.655 0.389 -8.749 1.00 0.00 C ATOM 1075 C THR A 73 -11.800 1.650 -8.888 1.00 0.00 C ATOM 1076 O THR A 73 -12.118 2.690 -8.348 1.00 0.00 O ATOM 1077 CB THR A 73 -13.777 0.642 -7.739 1.00 0.00 C ATOM 1078 OG1 THR A 73 -13.773 -0.387 -6.760 1.00 0.00 O ATOM 1079 CG2 THR A 73 -15.125 0.656 -8.464 1.00 0.00 C ATOM 0 H THR A 73 -10.893 -0.471 -7.907 1.00 0.00 H new ATOM 0 HA THR A 73 -13.087 0.136 -9.717 1.00 0.00 H new ATOM 0 HB THR A 73 -13.619 1.605 -7.253 1.00 0.00 H new ATOM 0 HG1 THR A 73 -14.490 -0.225 -6.112 1.00 0.00 H new ATOM 0 HG21 THR A 73 -15.923 0.836 -7.744 1.00 0.00 H new ATOM 0 HG22 THR A 73 -15.127 1.447 -9.214 1.00 0.00 H new ATOM 0 HG23 THR A 73 -15.286 -0.306 -8.951 1.00 0.00 H new ATOM 1087 N ALA A 74 -10.716 1.565 -9.611 1.00 0.00 N ATOM 1088 CA ALA A 74 -9.842 2.760 -9.784 1.00 0.00 C ATOM 1089 C ALA A 74 -8.695 2.419 -10.737 1.00 0.00 C ATOM 1090 O ALA A 74 -7.736 1.773 -10.364 1.00 0.00 O ATOM 1091 CB ALA A 74 -9.271 3.176 -8.428 1.00 0.00 C ATOM 0 H ALA A 74 -10.399 0.721 -10.088 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.428 3.581 -10.198 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.632 4.050 -8.555 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.088 3.419 -7.748 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.686 2.356 -8.013 1.00 0.00 H new ATOM 1097 N HIS A 75 -8.784 2.850 -11.966 1.00 0.00 N ATOM 1098 CA HIS A 75 -7.698 2.552 -12.942 1.00 0.00 C ATOM 1099 C HIS A 75 -7.801 1.094 -13.392 1.00 0.00 C ATOM 1100 O HIS A 75 -6.829 0.489 -13.799 1.00 0.00 O ATOM 1101 CB HIS A 75 -6.338 2.787 -12.280 1.00 0.00 C ATOM 1102 CG HIS A 75 -5.523 3.725 -13.127 1.00 0.00 C ATOM 1103 ND1 HIS A 75 -5.625 3.752 -14.510 1.00 0.00 N ATOM 1104 CD2 HIS A 75 -4.587 4.677 -12.803 1.00 0.00 C ATOM 1105 CE1 HIS A 75 -4.773 4.690 -14.961 1.00 0.00 C ATOM 1106 NE2 HIS A 75 -4.115 5.284 -13.962 1.00 0.00 N ATOM 0 H HIS A 75 -9.562 3.396 -12.336 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.799 3.207 -13.808 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -6.475 3.206 -11.283 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -5.812 1.840 -12.159 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -6.235 3.167 -15.081 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -4.266 4.918 -11.800 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -4.637 4.933 -16.004 1.00 0.00 H new ATOM 1114 N GLU A 76 -8.973 0.523 -13.322 1.00 0.00 N ATOM 1115 CA GLU A 76 -9.137 -0.896 -13.747 1.00 0.00 C ATOM 1116 C GLU A 76 -10.330 -1.008 -14.698 1.00 0.00 C ATOM 1117 O GLU A 76 -10.923 -2.057 -14.845 1.00 0.00 O ATOM 1118 CB GLU A 76 -9.384 -1.771 -12.515 1.00 0.00 C ATOM 1119 CG GLU A 76 -8.559 -3.054 -12.626 1.00 0.00 C ATOM 1120 CD GLU A 76 -7.317 -2.942 -11.741 1.00 0.00 C ATOM 1121 OE1 GLU A 76 -6.981 -1.830 -11.364 1.00 0.00 O ATOM 1122 OE2 GLU A 76 -6.723 -3.968 -11.455 1.00 0.00 O ATOM 0 H GLU A 76 -9.823 0.978 -12.989 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.233 -1.230 -14.256 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.112 -1.228 -11.610 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -10.444 -2.013 -12.435 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.159 -3.912 -12.322 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.266 -3.222 -13.662 1.00 0.00 H new ATOM 1129 N THR A 77 -10.684 0.068 -15.347 1.00 0.00 N ATOM 1130 CA THR A 77 -11.838 0.023 -16.289 1.00 0.00 C ATOM 1131 C THR A 77 -11.524 0.875 -17.521 1.00 0.00 C ATOM 1132 O THR A 77 -12.412 1.363 -18.192 1.00 0.00 O ATOM 1133 CB THR A 77 -13.086 0.572 -15.594 1.00 0.00 C ATOM 1134 OG1 THR A 77 -14.111 0.775 -16.556 1.00 0.00 O ATOM 1135 CG2 THR A 77 -12.750 1.900 -14.915 1.00 0.00 C ATOM 0 H THR A 77 -10.224 0.975 -15.266 1.00 0.00 H new ATOM 0 HA THR A 77 -12.017 -1.008 -16.596 1.00 0.00 H new ATOM 0 HB THR A 77 -13.428 -0.141 -14.844 1.00 0.00 H new ATOM 0 HG1 THR A 77 -13.848 1.494 -17.168 1.00 0.00 H new ATOM 0 HG21 THR A 77 -13.639 2.291 -14.420 1.00 0.00 H new ATOM 0 HG22 THR A 77 -11.963 1.743 -14.177 1.00 0.00 H new ATOM 0 HG23 THR A 77 -12.408 2.615 -15.663 1.00 0.00 H new ATOM 1143 N ASP A 78 -10.268 1.057 -17.824 1.00 0.00 N ATOM 1144 CA ASP A 78 -9.900 1.877 -19.012 1.00 0.00 C ATOM 1145 C ASP A 78 -9.328 0.969 -20.101 1.00 0.00 C ATOM 1146 O ASP A 78 -8.689 -0.027 -19.822 1.00 0.00 O ATOM 1147 CB ASP A 78 -8.849 2.914 -18.609 1.00 0.00 C ATOM 1148 CG ASP A 78 -9.133 4.235 -19.327 1.00 0.00 C ATOM 1149 OD1 ASP A 78 -10.068 4.912 -18.933 1.00 0.00 O ATOM 1150 OD2 ASP A 78 -8.410 4.548 -20.259 1.00 0.00 O ATOM 0 H ASP A 78 -9.481 0.673 -17.300 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.786 2.385 -19.392 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -8.866 3.064 -17.529 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.852 2.556 -18.866 1.00 0.00 H new ATOM 1155 N LYS A 79 -9.551 1.301 -21.343 1.00 0.00 N ATOM 1156 CA LYS A 79 -9.019 0.455 -22.448 1.00 0.00 C ATOM 1157 C LYS A 79 -7.927 1.221 -23.198 1.00 0.00 C ATOM 1158 O LYS A 79 -7.482 2.266 -22.769 1.00 0.00 O ATOM 1159 CB LYS A 79 -10.153 0.105 -23.413 1.00 0.00 C ATOM 1160 CG LYS A 79 -10.045 -1.367 -23.815 1.00 0.00 C ATOM 1161 CD LYS A 79 -11.028 -2.196 -22.985 1.00 0.00 C ATOM 1162 CE LYS A 79 -10.388 -2.554 -21.642 1.00 0.00 C ATOM 1163 NZ LYS A 79 -10.983 -3.821 -21.130 1.00 0.00 N ATOM 0 H LYS A 79 -10.079 2.122 -21.640 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.599 -0.462 -22.034 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -11.117 0.294 -22.942 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.101 0.739 -24.298 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.262 -1.482 -24.877 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.027 -1.724 -23.657 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.948 -1.634 -22.823 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.300 -3.104 -23.524 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -9.310 -2.667 -21.759 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.548 -1.749 -20.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.548 -4.065 -20.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.008 -3.697 -21.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.809 -4.587 -21.812 1.00 0.00 H new ATOM 1177 N SER A 80 -7.490 0.707 -24.316 1.00 0.00 N ATOM 1178 CA SER A 80 -6.427 1.405 -25.090 1.00 0.00 C ATOM 1179 C SER A 80 -6.488 0.962 -26.554 1.00 0.00 C ATOM 1180 O SER A 80 -6.350 1.814 -27.416 1.00 0.00 O ATOM 1181 CB SER A 80 -5.058 1.053 -24.508 1.00 0.00 C ATOM 1182 OG SER A 80 -4.047 1.724 -25.248 1.00 0.00 O ATOM 1183 OXT SER A 80 -6.669 -0.221 -26.787 1.00 0.00 O ATOM 0 H SER A 80 -7.824 -0.166 -24.725 1.00 0.00 H new ATOM 0 HA SER A 80 -6.581 2.482 -25.029 1.00 0.00 H new ATOM 0 HB2 SER A 80 -5.010 1.344 -23.459 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.899 -0.025 -24.548 1.00 0.00 H new ATOM 0 HG SER A 80 -3.168 1.502 -24.877 1.00 0.00 H new TER 1189 SER A 80