USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 709 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 110 CU1CU :(H bumps) USER MOD NoAdj-H: A 85 HIS HD1 : A 85 HIS ND1 : A 110 CU1CU :(H bumps) USER MOD Set 1.1: A 77 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 95 THR OG1 : rot 33:sc= 0.235 USER MOD Set 2.1: A 28 THR OG1 : rot -78:sc= 0.909 USER MOD Set 2.2: A 71 THR OG1 : rot -156:sc= 0.396 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl -143:sc= -2.48 (180deg=-5.68!) USER MOD Single : A 9 THR OG1 : rot -90:sc= -4.61! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= -2.66! USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -170:sc= -0.57 (180deg=-0.701) USER MOD Single : A 34 ASN : amide:sc= -4.42! C(o=-4.4!,f=-11!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -5.19! C(o=-5.2!,f=-13!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= -0.452 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0277 USER MOD Single : A 57 ASN : amide:sc= -0.0201 X(o=-0.02,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot -165:sc= -2.5 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0244 USER MOD Single : A 78 TYR OH : rot 90:sc= -1.18 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= -0.116 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.952 USER MOD Single : A 90 MET CE :methyl 148:sc= -0.745 (180deg=-4.19!) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.0658 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.905 -10.251 -0.141 1.00 0.00 N ATOM 2 CA ALA A 1 -12.932 -10.450 -1.579 1.00 0.00 C ATOM 3 C ALA A 1 -12.964 -9.088 -2.278 1.00 0.00 C ATOM 4 O ALA A 1 -13.956 -8.367 -2.193 1.00 0.00 O ATOM 5 CB ALA A 1 -14.131 -11.325 -1.952 1.00 0.00 C ATOM 0 H1 ALA A 1 -12.883 -11.174 0.337 1.00 0.00 H new ATOM 0 H2 ALA A 1 -12.057 -9.707 0.118 1.00 0.00 H new ATOM 0 H3 ALA A 1 -13.755 -9.729 0.153 1.00 0.00 H new ATOM 0 HA ALA A 1 -12.033 -10.970 -1.911 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -14.151 -11.474 -3.032 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -14.046 -12.291 -1.454 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -15.052 -10.834 -1.637 1.00 0.00 H new ATOM 11 N SER A 2 -11.867 -8.780 -2.953 1.00 0.00 N ATOM 12 CA SER A 2 -11.757 -7.518 -3.665 1.00 0.00 C ATOM 13 C SER A 2 -11.734 -6.355 -2.671 1.00 0.00 C ATOM 14 O SER A 2 -12.782 -5.826 -2.306 1.00 0.00 O ATOM 15 CB SER A 2 -12.908 -7.345 -4.659 1.00 0.00 C ATOM 16 OG SER A 2 -12.996 -8.436 -5.570 1.00 0.00 O ATOM 0 H SER A 2 -11.047 -9.382 -3.022 1.00 0.00 H new ATOM 0 HA SER A 2 -10.824 -7.523 -4.228 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.847 -7.252 -4.113 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.770 -6.418 -5.216 1.00 0.00 H new ATOM 0 HG SER A 2 -13.744 -8.288 -6.186 1.00 0.00 H new ATOM 22 N VAL A 3 -10.528 -5.993 -2.261 1.00 0.00 N ATOM 23 CA VAL A 3 -10.354 -4.904 -1.315 1.00 0.00 C ATOM 24 C VAL A 3 -9.575 -3.771 -1.987 1.00 0.00 C ATOM 25 O VAL A 3 -9.159 -3.896 -3.138 1.00 0.00 O ATOM 26 CB VAL A 3 -9.682 -5.418 -0.041 1.00 0.00 C ATOM 27 CG1 VAL A 3 -10.644 -6.285 0.774 1.00 0.00 C ATOM 28 CG2 VAL A 3 -8.398 -6.182 -0.369 1.00 0.00 C ATOM 0 H VAL A 3 -9.661 -6.435 -2.567 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.321 -4.501 -1.015 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.412 -4.555 0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.142 -6.638 1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.518 -5.696 1.053 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -10.959 -7.140 0.176 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.940 -6.537 0.554 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.634 -7.033 -1.007 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.704 -5.521 -0.888 1.00 0.00 H new ATOM 38 N GLN A 4 -9.400 -2.691 -1.239 1.00 0.00 N ATOM 39 CA GLN A 4 -8.678 -1.538 -1.748 1.00 0.00 C ATOM 40 C GLN A 4 -7.910 -0.851 -0.617 1.00 0.00 C ATOM 41 O GLN A 4 -8.234 -1.030 0.556 1.00 0.00 O ATOM 42 CB GLN A 4 -9.628 -0.558 -2.440 1.00 0.00 C ATOM 43 CG GLN A 4 -10.882 -0.321 -1.595 1.00 0.00 C ATOM 44 CD GLN A 4 -11.709 0.839 -2.155 1.00 0.00 C ATOM 45 OE1 GLN A 4 -11.385 1.432 -3.171 1.00 0.00 O ATOM 46 NE2 GLN A 4 -12.790 1.128 -1.436 1.00 0.00 N ATOM 0 H GLN A 4 -9.746 -2.591 -0.285 1.00 0.00 H new ATOM 0 HA GLN A 4 -7.960 -1.883 -2.492 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.117 0.389 -2.612 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.912 -0.949 -3.417 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.487 -1.227 -1.574 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.596 -0.105 -0.566 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -13.002 0.591 -0.595 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -13.407 1.887 -1.725 1.00 0.00 H new ATOM 55 N ILE A 5 -6.907 -0.080 -1.008 1.00 0.00 N ATOM 56 CA ILE A 5 -6.090 0.634 -0.042 1.00 0.00 C ATOM 57 C ILE A 5 -6.139 2.133 -0.347 1.00 0.00 C ATOM 58 O ILE A 5 -5.710 2.566 -1.416 1.00 0.00 O ATOM 59 CB ILE A 5 -4.673 0.060 -0.010 1.00 0.00 C ATOM 60 CG1 ILE A 5 -4.631 -1.254 0.774 1.00 0.00 C ATOM 61 CG2 ILE A 5 -3.677 1.085 0.536 1.00 0.00 C ATOM 62 CD1 ILE A 5 -5.152 -1.057 2.200 1.00 0.00 C ATOM 0 H ILE A 5 -6.641 0.066 -1.982 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.486 0.500 0.964 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.373 -0.166 -1.033 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.233 -2.006 0.263 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.609 -1.631 0.805 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.677 0.651 0.548 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.680 1.970 -0.100 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.963 1.366 1.550 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.112 -2.005 2.736 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.533 -0.322 2.715 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.182 -0.703 2.165 1.00 0.00 H new ATOM 74 N LYS A 6 -6.666 2.882 0.610 1.00 0.00 N ATOM 75 CA LYS A 6 -6.776 4.323 0.456 1.00 0.00 C ATOM 76 C LYS A 6 -5.600 4.998 1.165 1.00 0.00 C ATOM 77 O LYS A 6 -5.253 4.632 2.286 1.00 0.00 O ATOM 78 CB LYS A 6 -8.146 4.809 0.937 1.00 0.00 C ATOM 79 CG LYS A 6 -9.051 5.154 -0.246 1.00 0.00 C ATOM 80 CD LYS A 6 -10.408 5.673 0.234 1.00 0.00 C ATOM 81 CE LYS A 6 -11.236 6.210 -0.936 1.00 0.00 C ATOM 82 NZ LYS A 6 -12.514 5.472 -1.048 1.00 0.00 N ATOM 0 H LYS A 6 -7.021 2.519 1.494 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.716 4.600 -0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.616 4.037 1.546 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.022 5.686 1.573 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.569 5.908 -0.869 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.195 4.271 -0.868 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.953 4.871 0.731 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.259 6.462 0.971 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.434 7.272 -0.792 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.671 6.114 -1.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.064 5.849 -1.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.319 4.463 -1.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.058 5.585 -0.169 1.00 0.00 H new ATOM 96 N MET A 7 -5.020 5.974 0.479 1.00 0.00 N ATOM 97 CA MET A 7 -3.890 6.704 1.029 1.00 0.00 C ATOM 98 C MET A 7 -4.292 8.131 1.406 1.00 0.00 C ATOM 99 O MET A 7 -4.365 9.007 0.547 1.00 0.00 O ATOM 100 CB MET A 7 -2.761 6.746 -0.001 1.00 0.00 C ATOM 101 CG MET A 7 -2.030 5.403 -0.071 1.00 0.00 C ATOM 102 SD MET A 7 -1.407 5.131 -1.721 1.00 0.00 S ATOM 103 CE MET A 7 -2.711 4.105 -2.379 1.00 0.00 C ATOM 0 H MET A 7 -5.311 6.275 -0.451 1.00 0.00 H new ATOM 0 HA MET A 7 -3.552 6.192 1.930 1.00 0.00 H new ATOM 0 HB2 MET A 7 -3.168 6.994 -0.981 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.055 7.535 0.260 1.00 0.00 H new ATOM 0 HG2 MET A 7 -1.207 5.390 0.644 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.708 4.596 0.208 1.00 0.00 H new ATOM 0 HE1 MET A 7 -2.282 3.347 -3.034 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.240 3.619 -1.559 1.00 0.00 H new ATOM 0 HE3 MET A 7 -3.408 4.722 -2.946 1.00 0.00 H new ATOM 113 N GLY A 8 -4.539 8.320 2.695 1.00 0.00 N ATOM 114 CA GLY A 8 -4.931 9.626 3.197 1.00 0.00 C ATOM 115 C GLY A 8 -6.398 9.630 3.631 1.00 0.00 C ATOM 116 O GLY A 8 -7.246 9.027 2.973 1.00 0.00 O ATOM 0 H GLY A 8 -4.475 7.591 3.406 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.298 9.900 4.041 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.775 10.378 2.424 1.00 0.00 H new ATOM 120 N THR A 9 -6.653 10.315 4.736 1.00 0.00 N ATOM 121 CA THR A 9 -8.004 10.404 5.266 1.00 0.00 C ATOM 122 C THR A 9 -8.627 11.757 4.912 1.00 0.00 C ATOM 123 O THR A 9 -7.915 12.706 4.591 1.00 0.00 O ATOM 124 CB THR A 9 -7.940 10.140 6.772 1.00 0.00 C ATOM 125 OG1 THR A 9 -6.739 10.785 7.186 1.00 0.00 O ATOM 126 CG2 THR A 9 -7.701 8.663 7.097 1.00 0.00 C ATOM 0 H THR A 9 -5.948 10.813 5.279 1.00 0.00 H new ATOM 0 HA THR A 9 -8.655 9.654 4.818 1.00 0.00 H new ATOM 0 HB THR A 9 -8.868 10.469 7.239 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.991 10.154 7.126 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.664 8.530 8.178 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.513 8.064 6.685 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.756 8.343 6.659 1.00 0.00 H new ATOM 134 N ASP A 10 -9.949 11.800 4.984 1.00 0.00 N ATOM 135 CA ASP A 10 -10.676 13.019 4.676 1.00 0.00 C ATOM 136 C ASP A 10 -10.169 14.150 5.573 1.00 0.00 C ATOM 137 O ASP A 10 -10.387 15.325 5.280 1.00 0.00 O ATOM 138 CB ASP A 10 -12.175 12.848 4.932 1.00 0.00 C ATOM 139 CG ASP A 10 -13.087 13.545 3.923 1.00 0.00 C ATOM 140 OD1 ASP A 10 -13.263 12.973 2.826 1.00 0.00 O ATOM 141 OD2 ASP A 10 -13.590 14.635 4.271 1.00 0.00 O ATOM 0 H ASP A 10 -10.536 11.010 5.251 1.00 0.00 H new ATOM 0 HA ASP A 10 -10.515 13.250 3.623 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -12.408 11.783 4.935 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -12.404 13.227 5.928 1.00 0.00 H new ATOM 146 N LYS A 11 -9.502 13.756 6.648 1.00 0.00 N ATOM 147 CA LYS A 11 -8.964 14.722 7.590 1.00 0.00 C ATOM 148 C LYS A 11 -7.543 15.104 7.165 1.00 0.00 C ATOM 149 O LYS A 11 -6.661 15.260 8.008 1.00 0.00 O ATOM 150 CB LYS A 11 -9.053 14.184 9.020 1.00 0.00 C ATOM 151 CG LYS A 11 -10.153 14.900 9.806 1.00 0.00 C ATOM 152 CD LYS A 11 -10.562 14.091 11.039 1.00 0.00 C ATOM 153 CE LYS A 11 -11.918 13.416 10.827 1.00 0.00 C ATOM 154 NZ LYS A 11 -12.352 12.726 12.062 1.00 0.00 N ATOM 0 H LYS A 11 -9.322 12.781 6.887 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.559 15.636 7.580 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.255 13.113 8.998 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.095 14.318 9.523 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.803 15.885 10.113 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.021 15.056 9.165 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.805 13.336 11.250 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.610 14.746 11.909 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.660 14.160 10.539 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.850 12.700 10.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.274 12.273 11.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.651 12.002 12.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.436 13.417 12.835 1.00 0.00 H new ATOM 168 N TYR A 12 -7.368 15.244 5.859 1.00 0.00 N ATOM 169 CA TYR A 12 -6.071 15.605 5.313 1.00 0.00 C ATOM 170 C TYR A 12 -4.941 14.919 6.084 1.00 0.00 C ATOM 171 O TYR A 12 -3.839 15.454 6.181 1.00 0.00 O ATOM 172 CB TYR A 12 -5.946 17.120 5.489 1.00 0.00 C ATOM 173 CG TYR A 12 -7.080 17.917 4.841 1.00 0.00 C ATOM 174 CD1 TYR A 12 -7.232 17.910 3.469 1.00 0.00 C ATOM 175 CD2 TYR A 12 -7.950 18.643 5.628 1.00 0.00 C ATOM 176 CE1 TYR A 12 -8.299 18.661 2.860 1.00 0.00 C ATOM 177 CE2 TYR A 12 -9.017 19.394 5.018 1.00 0.00 C ATOM 178 CZ TYR A 12 -9.139 19.365 3.664 1.00 0.00 C ATOM 179 OH TYR A 12 -10.147 20.074 3.088 1.00 0.00 O ATOM 0 H TYR A 12 -8.103 15.114 5.163 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.995 15.298 4.270 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -5.916 17.351 6.554 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -4.997 17.448 5.065 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -6.551 17.342 2.853 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -7.831 18.648 6.701 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -8.429 18.665 1.788 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -9.705 19.967 5.622 1.00 0.00 H new ATOM 0 HH TYR A 12 -10.668 20.527 3.784 1.00 0.00 H new ATOM 189 N ALA A 13 -5.255 13.745 6.611 1.00 0.00 N ATOM 190 CA ALA A 13 -4.281 12.980 7.370 1.00 0.00 C ATOM 191 C ALA A 13 -3.686 11.889 6.476 1.00 0.00 C ATOM 192 O ALA A 13 -4.408 11.023 5.986 1.00 0.00 O ATOM 193 CB ALA A 13 -4.944 12.409 8.624 1.00 0.00 C ATOM 0 H ALA A 13 -6.171 13.305 6.527 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.462 13.620 7.698 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.213 11.835 9.193 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.323 13.225 9.239 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.770 11.759 8.335 1.00 0.00 H new ATOM 199 N PRO A 14 -2.342 11.972 6.287 1.00 0.00 N ATOM 200 CA PRO A 14 -1.643 11.002 5.460 1.00 0.00 C ATOM 201 C PRO A 14 -1.494 9.666 6.190 1.00 0.00 C ATOM 202 O PRO A 14 -0.565 9.482 6.975 1.00 0.00 O ATOM 203 CB PRO A 14 -0.308 11.653 5.135 1.00 0.00 C ATOM 204 CG PRO A 14 -0.119 12.754 6.165 1.00 0.00 C ATOM 205 CD PRO A 14 -1.456 12.985 6.852 1.00 0.00 C ATOM 0 HA PRO A 14 -2.186 10.758 4.547 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.503 10.927 5.186 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.308 12.060 4.124 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.640 12.469 6.893 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.227 13.670 5.686 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.370 12.877 7.933 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.831 13.990 6.661 1.00 0.00 H new ATOM 213 N LEU A 15 -2.423 8.765 5.904 1.00 0.00 N ATOM 214 CA LEU A 15 -2.407 7.451 6.524 1.00 0.00 C ATOM 215 C LEU A 15 -3.107 6.450 5.603 1.00 0.00 C ATOM 216 O LEU A 15 -4.009 6.817 4.851 1.00 0.00 O ATOM 217 CB LEU A 15 -3.006 7.514 7.930 1.00 0.00 C ATOM 218 CG LEU A 15 -4.441 8.035 8.027 1.00 0.00 C ATOM 219 CD1 LEU A 15 -5.441 6.880 8.093 1.00 0.00 C ATOM 220 CD2 LEU A 15 -4.597 8.997 9.207 1.00 0.00 C ATOM 0 H LEU A 15 -3.191 8.919 5.251 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.382 7.104 6.655 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.974 6.514 8.362 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.368 8.148 8.547 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.661 8.599 7.121 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.453 7.279 8.161 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.351 6.269 7.195 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.232 6.268 8.970 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.626 9.352 9.253 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.350 8.479 10.134 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.926 9.846 9.076 1.00 0.00 H new ATOM 232 N TYR A 16 -2.665 5.204 5.692 1.00 0.00 N ATOM 233 CA TYR A 16 -3.238 4.146 4.876 1.00 0.00 C ATOM 234 C TYR A 16 -4.555 3.647 5.471 1.00 0.00 C ATOM 235 O TYR A 16 -4.620 3.313 6.653 1.00 0.00 O ATOM 236 CB TYR A 16 -2.220 3.005 4.890 1.00 0.00 C ATOM 237 CG TYR A 16 -1.167 3.094 3.783 1.00 0.00 C ATOM 238 CD1 TYR A 16 -1.561 3.185 2.463 1.00 0.00 C ATOM 239 CD2 TYR A 16 0.175 3.085 4.105 1.00 0.00 C ATOM 240 CE1 TYR A 16 -0.570 3.268 1.421 1.00 0.00 C ATOM 241 CE2 TYR A 16 1.165 3.169 3.062 1.00 0.00 C ATOM 242 CZ TYR A 16 0.743 3.256 1.772 1.00 0.00 C ATOM 243 OH TYR A 16 1.679 3.337 0.788 1.00 0.00 O ATOM 0 H TYR A 16 -1.917 4.903 6.317 1.00 0.00 H new ATOM 0 HA TYR A 16 -3.446 4.508 3.869 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.716 2.994 5.856 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.751 2.058 4.797 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.611 3.194 2.212 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.483 3.015 5.138 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.864 3.338 0.384 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.219 3.163 3.299 1.00 0.00 H new ATOM 0 HH TYR A 16 2.574 3.319 1.186 1.00 0.00 H new ATOM 253 N GLU A 17 -5.574 3.612 4.625 1.00 0.00 N ATOM 254 CA GLU A 17 -6.887 3.159 5.053 1.00 0.00 C ATOM 255 C GLU A 17 -7.399 2.059 4.120 1.00 0.00 C ATOM 256 O GLU A 17 -7.405 2.227 2.901 1.00 0.00 O ATOM 257 CB GLU A 17 -7.875 4.325 5.119 1.00 0.00 C ATOM 258 CG GLU A 17 -9.001 4.034 6.112 1.00 0.00 C ATOM 259 CD GLU A 17 -9.983 5.205 6.188 1.00 0.00 C ATOM 260 OE1 GLU A 17 -9.493 6.351 6.294 1.00 0.00 O ATOM 261 OE2 GLU A 17 -11.201 4.929 6.138 1.00 0.00 O ATOM 0 H GLU A 17 -5.517 3.890 3.645 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.797 2.745 6.057 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.351 5.234 5.414 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.295 4.506 4.130 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.531 3.130 5.812 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.580 3.844 7.099 1.00 0.00 H new ATOM 268 N PRO A 18 -7.827 0.930 4.744 1.00 0.00 N ATOM 269 CA PRO A 18 -7.784 0.813 6.191 1.00 0.00 C ATOM 270 C PRO A 18 -6.354 0.583 6.681 1.00 0.00 C ATOM 271 O PRO A 18 -5.485 0.185 5.908 1.00 0.00 O ATOM 272 CB PRO A 18 -8.718 -0.342 6.520 1.00 0.00 C ATOM 273 CG PRO A 18 -8.884 -1.124 5.227 1.00 0.00 C ATOM 274 CD PRO A 18 -8.359 -0.262 4.090 1.00 0.00 C ATOM 0 HA PRO A 18 -8.105 1.724 6.696 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.300 -0.971 7.306 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.679 0.024 6.882 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.336 -2.065 5.277 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.932 -1.374 5.064 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.586 -0.781 3.524 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.152 -0.007 3.387 1.00 0.00 H new ATOM 282 N LYS A 19 -6.154 0.845 7.965 1.00 0.00 N ATOM 283 CA LYS A 19 -4.843 0.672 8.568 1.00 0.00 C ATOM 284 C LYS A 19 -4.335 -0.742 8.278 1.00 0.00 C ATOM 285 O LYS A 19 -3.150 -0.938 8.010 1.00 0.00 O ATOM 286 CB LYS A 19 -4.889 1.015 10.059 1.00 0.00 C ATOM 287 CG LYS A 19 -4.230 2.369 10.330 1.00 0.00 C ATOM 288 CD LYS A 19 -3.559 2.386 11.705 1.00 0.00 C ATOM 289 CE LYS A 19 -2.431 3.419 11.751 1.00 0.00 C ATOM 290 NZ LYS A 19 -2.854 4.613 12.516 1.00 0.00 N ATOM 0 H LYS A 19 -6.877 1.175 8.604 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.127 1.365 8.127 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.924 1.036 10.399 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.381 0.238 10.630 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.490 2.579 9.558 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.979 3.159 10.277 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.299 2.615 12.472 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.161 1.397 11.932 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.546 2.980 12.211 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.153 3.708 10.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.077 5.304 12.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.685 5.041 12.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.097 4.334 13.488 1.00 0.00 H new ATOM 304 N ALA A 20 -5.257 -1.692 8.342 1.00 0.00 N ATOM 305 CA ALA A 20 -4.917 -3.082 8.090 1.00 0.00 C ATOM 306 C ALA A 20 -5.900 -3.666 7.072 1.00 0.00 C ATOM 307 O ALA A 20 -7.035 -3.204 6.965 1.00 0.00 O ATOM 308 CB ALA A 20 -4.916 -3.855 9.409 1.00 0.00 C ATOM 0 H ALA A 20 -6.239 -1.526 8.565 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.916 -3.162 7.666 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.661 -4.898 9.219 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.181 -3.419 10.086 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.905 -3.800 9.864 1.00 0.00 H new ATOM 314 N LEU A 21 -5.429 -4.673 6.352 1.00 0.00 N ATOM 315 CA LEU A 21 -6.252 -5.325 5.348 1.00 0.00 C ATOM 316 C LEU A 21 -5.931 -6.821 5.325 1.00 0.00 C ATOM 317 O LEU A 21 -4.778 -7.215 5.491 1.00 0.00 O ATOM 318 CB LEU A 21 -6.085 -4.639 3.991 1.00 0.00 C ATOM 319 CG LEU A 21 -6.485 -5.467 2.767 1.00 0.00 C ATOM 320 CD1 LEU A 21 -7.933 -5.946 2.878 1.00 0.00 C ATOM 321 CD2 LEU A 21 -6.235 -4.687 1.475 1.00 0.00 C ATOM 0 H LEU A 21 -4.487 -5.054 6.444 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.308 -5.229 5.600 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.676 -3.723 3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.041 -4.345 3.881 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.855 -6.356 2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.191 -6.532 1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.045 -6.564 3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.597 -5.084 2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.527 -5.296 0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.823 -3.769 1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.176 -4.439 1.399 1.00 0.00 H new ATOM 333 N SER A 22 -6.972 -7.614 5.116 1.00 0.00 N ATOM 334 CA SER A 22 -6.816 -9.057 5.069 1.00 0.00 C ATOM 335 C SER A 22 -7.499 -9.617 3.819 1.00 0.00 C ATOM 336 O SER A 22 -8.576 -9.160 3.440 1.00 0.00 O ATOM 337 CB SER A 22 -7.388 -9.715 6.326 1.00 0.00 C ATOM 338 OG SER A 22 -7.073 -11.104 6.392 1.00 0.00 O ATOM 0 H SER A 22 -7.927 -7.284 4.977 1.00 0.00 H new ATOM 0 HA SER A 22 -5.751 -9.284 5.026 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.995 -9.212 7.209 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.470 -9.588 6.341 1.00 0.00 H new ATOM 0 HG SER A 22 -7.454 -11.487 7.209 1.00 0.00 H new ATOM 344 N ILE A 23 -6.845 -10.598 3.215 1.00 0.00 N ATOM 345 CA ILE A 23 -7.376 -11.224 2.017 1.00 0.00 C ATOM 346 C ILE A 23 -6.955 -12.695 1.986 1.00 0.00 C ATOM 347 O ILE A 23 -6.357 -13.194 2.938 1.00 0.00 O ATOM 348 CB ILE A 23 -6.959 -10.439 0.772 1.00 0.00 C ATOM 349 CG1 ILE A 23 -5.442 -10.487 0.576 1.00 0.00 C ATOM 350 CG2 ILE A 23 -7.484 -9.003 0.827 1.00 0.00 C ATOM 351 CD1 ILE A 23 -5.068 -10.215 -0.883 1.00 0.00 C ATOM 0 H ILE A 23 -5.952 -10.975 3.533 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.466 -11.204 2.028 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.412 -10.914 -0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.965 -9.749 1.221 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.064 -11.464 0.876 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.173 -8.467 -0.070 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.572 -9.015 0.883 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.081 -8.502 1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.984 -10.255 -0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.527 -10.969 -1.523 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.426 -9.227 -1.172 1.00 0.00 H new ATOM 363 N SER A 24 -7.284 -13.349 0.881 1.00 0.00 N ATOM 364 CA SER A 24 -6.947 -14.752 0.714 1.00 0.00 C ATOM 365 C SER A 24 -6.127 -14.945 -0.563 1.00 0.00 C ATOM 366 O SER A 24 -6.002 -14.025 -1.369 1.00 0.00 O ATOM 367 CB SER A 24 -8.207 -15.620 0.670 1.00 0.00 C ATOM 368 OG SER A 24 -9.114 -15.297 1.722 1.00 0.00 O ATOM 0 H SER A 24 -7.780 -12.933 0.093 1.00 0.00 H new ATOM 0 HA SER A 24 -6.352 -15.065 1.572 1.00 0.00 H new ATOM 0 HB2 SER A 24 -8.704 -15.489 -0.291 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.926 -16.671 0.743 1.00 0.00 H new ATOM 0 HG SER A 24 -9.906 -15.871 1.659 1.00 0.00 H new ATOM 374 N ALA A 25 -5.588 -16.147 -0.705 1.00 0.00 N ATOM 375 CA ALA A 25 -4.783 -16.472 -1.871 1.00 0.00 C ATOM 376 C ALA A 25 -5.675 -16.492 -3.113 1.00 0.00 C ATOM 377 O ALA A 25 -6.447 -17.429 -3.313 1.00 0.00 O ATOM 378 CB ALA A 25 -4.070 -17.807 -1.643 1.00 0.00 C ATOM 0 H ALA A 25 -5.693 -16.907 -0.033 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.015 -15.715 -2.030 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.466 -18.051 -2.517 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.426 -17.731 -0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.809 -18.592 -1.482 1.00 0.00 H new ATOM 384 N GLY A 26 -5.540 -15.448 -3.917 1.00 0.00 N ATOM 385 CA GLY A 26 -6.325 -15.333 -5.134 1.00 0.00 C ATOM 386 C GLY A 26 -7.132 -14.034 -5.147 1.00 0.00 C ATOM 387 O GLY A 26 -7.750 -13.693 -6.154 1.00 0.00 O ATOM 0 H GLY A 26 -4.898 -14.673 -3.749 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.665 -15.363 -6.001 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.000 -16.185 -5.217 1.00 0.00 H new ATOM 391 N ASP A 27 -7.101 -13.345 -4.015 1.00 0.00 N ATOM 392 CA ASP A 27 -7.822 -12.090 -3.883 1.00 0.00 C ATOM 393 C ASP A 27 -6.976 -10.956 -4.466 1.00 0.00 C ATOM 394 O ASP A 27 -5.812 -11.158 -4.808 1.00 0.00 O ATOM 395 CB ASP A 27 -8.099 -11.766 -2.414 1.00 0.00 C ATOM 396 CG ASP A 27 -9.177 -12.629 -1.754 1.00 0.00 C ATOM 397 OD1 ASP A 27 -9.322 -13.790 -2.193 1.00 0.00 O ATOM 398 OD2 ASP A 27 -9.830 -12.107 -0.825 1.00 0.00 O ATOM 0 H ASP A 27 -6.588 -13.632 -3.181 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.768 -12.187 -4.416 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.172 -11.877 -1.852 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.395 -10.720 -2.338 1.00 0.00 H new ATOM 403 N THR A 28 -7.595 -9.789 -4.562 1.00 0.00 N ATOM 404 CA THR A 28 -6.913 -8.622 -5.096 1.00 0.00 C ATOM 405 C THR A 28 -7.021 -7.448 -4.122 1.00 0.00 C ATOM 406 O THR A 28 -7.924 -7.409 -3.288 1.00 0.00 O ATOM 407 CB THR A 28 -7.501 -8.323 -6.477 1.00 0.00 C ATOM 408 OG1 THR A 28 -7.415 -9.567 -7.167 1.00 0.00 O ATOM 409 CG2 THR A 28 -6.620 -7.380 -7.298 1.00 0.00 C ATOM 0 H THR A 28 -8.561 -9.626 -4.279 1.00 0.00 H new ATOM 0 HA THR A 28 -5.845 -8.807 -5.214 1.00 0.00 H new ATOM 0 HB THR A 28 -8.492 -7.884 -6.362 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.493 -9.713 -7.465 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.084 -7.201 -8.268 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.509 -6.433 -6.769 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.639 -7.832 -7.443 1.00 0.00 H new ATOM 417 N VAL A 29 -6.087 -6.518 -4.260 1.00 0.00 N ATOM 418 CA VAL A 29 -6.066 -5.345 -3.403 1.00 0.00 C ATOM 419 C VAL A 29 -5.818 -4.100 -4.256 1.00 0.00 C ATOM 420 O VAL A 29 -4.741 -3.939 -4.829 1.00 0.00 O ATOM 421 CB VAL A 29 -5.027 -5.527 -2.295 1.00 0.00 C ATOM 422 CG1 VAL A 29 -5.049 -4.343 -1.325 1.00 0.00 C ATOM 423 CG2 VAL A 29 -5.242 -6.848 -1.552 1.00 0.00 C ATOM 0 H VAL A 29 -5.339 -6.553 -4.953 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.029 -5.214 -2.910 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.042 -5.562 -2.761 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.301 -4.496 -0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.825 -3.424 -1.867 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.036 -4.264 -0.869 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.490 -6.952 -0.770 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.235 -6.856 -1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.154 -7.678 -2.253 1.00 0.00 H new ATOM 433 N GLU A 30 -6.833 -3.250 -4.314 1.00 0.00 N ATOM 434 CA GLU A 30 -6.739 -2.023 -5.088 1.00 0.00 C ATOM 435 C GLU A 30 -6.055 -0.928 -4.266 1.00 0.00 C ATOM 436 O GLU A 30 -5.889 -1.069 -3.055 1.00 0.00 O ATOM 437 CB GLU A 30 -8.120 -1.570 -5.566 1.00 0.00 C ATOM 438 CG GLU A 30 -8.037 -0.937 -6.956 1.00 0.00 C ATOM 439 CD GLU A 30 -8.917 0.312 -7.043 1.00 0.00 C ATOM 440 OE1 GLU A 30 -8.836 1.129 -6.100 1.00 0.00 O ATOM 441 OE2 GLU A 30 -9.650 0.422 -8.050 1.00 0.00 O ATOM 0 H GLU A 30 -7.725 -3.387 -3.838 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.132 -2.219 -5.972 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.798 -2.423 -5.591 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.536 -0.852 -4.859 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.003 -0.674 -7.179 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.351 -1.661 -7.708 1.00 0.00 H new ATOM 448 N PHE A 31 -5.678 0.137 -4.957 1.00 0.00 N ATOM 449 CA PHE A 31 -5.017 1.256 -4.305 1.00 0.00 C ATOM 450 C PHE A 31 -5.484 2.588 -4.895 1.00 0.00 C ATOM 451 O PHE A 31 -5.467 2.773 -6.111 1.00 0.00 O ATOM 452 CB PHE A 31 -3.517 1.097 -4.559 1.00 0.00 C ATOM 453 CG PHE A 31 -2.832 0.088 -3.636 1.00 0.00 C ATOM 454 CD1 PHE A 31 -2.894 -1.241 -3.916 1.00 0.00 C ATOM 455 CD2 PHE A 31 -2.161 0.520 -2.535 1.00 0.00 C ATOM 456 CE1 PHE A 31 -2.258 -2.178 -3.059 1.00 0.00 C ATOM 457 CE2 PHE A 31 -1.525 -0.416 -1.678 1.00 0.00 C ATOM 458 CZ PHE A 31 -1.588 -1.746 -1.957 1.00 0.00 C ATOM 0 H PHE A 31 -5.817 0.250 -5.961 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.252 1.259 -3.241 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.365 0.789 -5.593 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.034 2.067 -4.441 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.427 -1.584 -4.790 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.112 1.576 -2.312 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.306 -3.234 -3.282 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.991 -0.072 -0.804 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.106 -2.458 -1.304 1.00 0.00 H new ATOM 468 N VAL A 32 -5.893 3.481 -4.006 1.00 0.00 N ATOM 469 CA VAL A 32 -6.364 4.791 -4.422 1.00 0.00 C ATOM 470 C VAL A 32 -5.782 5.858 -3.493 1.00 0.00 C ATOM 471 O VAL A 32 -5.544 5.597 -2.315 1.00 0.00 O ATOM 472 CB VAL A 32 -7.894 4.806 -4.467 1.00 0.00 C ATOM 473 CG1 VAL A 32 -8.481 4.926 -3.060 1.00 0.00 C ATOM 474 CG2 VAL A 32 -8.404 5.930 -5.372 1.00 0.00 C ATOM 0 H VAL A 32 -5.908 3.323 -2.998 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.020 5.018 -5.431 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.227 3.858 -4.890 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.569 4.935 -3.119 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.157 4.078 -2.457 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.136 5.852 -2.599 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.494 5.919 -5.387 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.056 6.890 -4.991 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.026 5.782 -6.384 1.00 0.00 H new ATOM 484 N MET A 33 -5.569 7.037 -4.059 1.00 0.00 N ATOM 485 CA MET A 33 -5.019 8.144 -3.295 1.00 0.00 C ATOM 486 C MET A 33 -6.124 9.096 -2.835 1.00 0.00 C ATOM 487 O MET A 33 -6.889 9.607 -3.652 1.00 0.00 O ATOM 488 CB MET A 33 -4.013 8.909 -4.158 1.00 0.00 C ATOM 489 CG MET A 33 -2.925 9.549 -3.294 1.00 0.00 C ATOM 490 SD MET A 33 -3.107 11.325 -3.298 1.00 0.00 S ATOM 491 CE MET A 33 -2.060 11.742 -4.682 1.00 0.00 C ATOM 0 H MET A 33 -5.767 7.250 -5.037 1.00 0.00 H new ATOM 0 HA MET A 33 -4.523 7.741 -2.412 1.00 0.00 H new ATOM 0 HB2 MET A 33 -3.557 8.231 -4.879 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.530 9.681 -4.728 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.990 9.171 -2.274 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.940 9.275 -3.673 1.00 0.00 H new ATOM 0 HE1 MET A 33 -1.917 12.822 -4.717 1.00 0.00 H new ATOM 0 HE2 MET A 33 -1.093 11.251 -4.568 1.00 0.00 H new ATOM 0 HE3 MET A 33 -2.530 11.408 -5.607 1.00 0.00 H new ATOM 501 N ASN A 34 -6.175 9.304 -1.527 1.00 0.00 N ATOM 502 CA ASN A 34 -7.175 10.185 -0.949 1.00 0.00 C ATOM 503 C ASN A 34 -6.715 11.637 -1.092 1.00 0.00 C ATOM 504 O ASN A 34 -7.356 12.431 -1.779 1.00 0.00 O ATOM 505 CB ASN A 34 -7.368 9.895 0.541 1.00 0.00 C ATOM 506 CG ASN A 34 -8.635 9.070 0.780 1.00 0.00 C ATOM 507 OD1 ASN A 34 -8.871 8.053 0.151 1.00 0.00 O ATOM 508 ND2 ASN A 34 -9.433 9.565 1.722 1.00 0.00 N ATOM 0 H ASN A 34 -5.540 8.878 -0.852 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.115 10.018 -1.475 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.502 9.357 0.926 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.431 10.833 1.092 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.303 9.087 1.956 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.174 10.422 2.211 1.00 0.00 H new ATOM 515 N LYS A 35 -5.606 11.940 -0.433 1.00 0.00 N ATOM 516 CA LYS A 35 -5.051 13.282 -0.478 1.00 0.00 C ATOM 517 C LYS A 35 -3.716 13.304 0.269 1.00 0.00 C ATOM 518 O LYS A 35 -3.131 12.255 0.531 1.00 0.00 O ATOM 519 CB LYS A 35 -6.067 14.299 0.046 1.00 0.00 C ATOM 520 CG LYS A 35 -6.437 14.003 1.501 1.00 0.00 C ATOM 521 CD LYS A 35 -7.930 13.694 1.633 1.00 0.00 C ATOM 522 CE LYS A 35 -8.724 14.959 1.969 1.00 0.00 C ATOM 523 NZ LYS A 35 -9.681 15.273 0.884 1.00 0.00 N ATOM 0 H LYS A 35 -5.077 11.279 0.135 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.844 13.574 -1.507 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.653 15.305 -0.031 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.964 14.275 -0.573 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.853 13.157 1.864 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.182 14.858 2.127 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.300 13.265 0.702 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.083 12.947 2.412 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.261 14.820 2.907 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.041 15.796 2.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.212 16.134 1.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.161 15.426 -0.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.343 14.480 0.765 1.00 0.00 H new ATOM 537 N VAL A 36 -3.275 14.511 0.591 1.00 0.00 N ATOM 538 CA VAL A 36 -2.020 14.682 1.303 1.00 0.00 C ATOM 539 C VAL A 36 -0.941 13.825 0.640 1.00 0.00 C ATOM 540 O VAL A 36 -0.265 13.044 1.310 1.00 0.00 O ATOM 541 CB VAL A 36 -2.213 14.360 2.787 1.00 0.00 C ATOM 542 CG1 VAL A 36 -2.647 12.907 2.981 1.00 0.00 C ATOM 543 CG2 VAL A 36 -0.941 14.663 3.583 1.00 0.00 C ATOM 0 H VAL A 36 -3.764 15.379 0.372 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.688 15.719 1.249 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.008 15.001 3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.777 12.705 4.044 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.590 12.736 2.461 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.884 12.242 2.576 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.104 14.426 4.634 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.119 14.060 3.198 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.693 15.720 3.484 1.00 0.00 H new ATOM 553 N GLY A 37 -0.812 13.999 -0.667 1.00 0.00 N ATOM 554 CA GLY A 37 0.175 13.251 -1.428 1.00 0.00 C ATOM 555 C GLY A 37 1.320 14.158 -1.883 1.00 0.00 C ATOM 556 O GLY A 37 1.519 15.238 -1.328 1.00 0.00 O ATOM 0 H GLY A 37 -1.374 14.647 -1.219 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.570 12.439 -0.818 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.300 12.795 -2.297 1.00 0.00 H new ATOM 560 N PRO A 38 2.061 13.673 -2.914 1.00 0.00 N ATOM 561 CA PRO A 38 1.759 12.385 -3.513 1.00 0.00 C ATOM 562 C PRO A 38 2.208 11.238 -2.606 1.00 0.00 C ATOM 563 O PRO A 38 2.760 11.472 -1.532 1.00 0.00 O ATOM 564 CB PRO A 38 2.474 12.396 -4.854 1.00 0.00 C ATOM 565 CG PRO A 38 3.525 13.491 -4.757 1.00 0.00 C ATOM 566 CD PRO A 38 3.204 14.336 -3.535 1.00 0.00 C ATOM 0 HA PRO A 38 0.689 12.226 -3.648 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.935 11.430 -5.059 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.776 12.595 -5.667 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.521 13.058 -4.671 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.521 14.105 -5.658 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.053 14.383 -2.853 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.963 15.361 -3.815 1.00 0.00 H new ATOM 574 N HIS A 39 1.956 10.024 -3.071 1.00 0.00 N ATOM 575 CA HIS A 39 2.328 8.840 -2.314 1.00 0.00 C ATOM 576 C HIS A 39 2.954 7.806 -3.252 1.00 0.00 C ATOM 577 O HIS A 39 3.509 8.162 -4.292 1.00 0.00 O ATOM 578 CB HIS A 39 1.128 8.289 -1.542 1.00 0.00 C ATOM 579 CG HIS A 39 0.336 9.343 -0.805 1.00 0.00 C ATOM 580 ND1 HIS A 39 0.461 9.560 0.556 1.00 0.00 N ATOM 581 CD2 HIS A 39 -0.592 10.236 -1.253 1.00 0.00 C ATOM 582 CE1 HIS A 39 -0.360 10.541 0.900 1.00 0.00 C ATOM 583 NE2 HIS A 39 -1.012 10.959 -0.222 1.00 0.00 N ATOM 0 H HIS A 39 1.499 9.834 -3.963 1.00 0.00 H new ATOM 0 HA HIS A 39 3.077 9.103 -1.567 1.00 0.00 H new ATOM 0 HB2 HIS A 39 0.467 7.773 -2.238 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.479 7.546 -0.826 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -0.928 10.338 -2.274 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -0.490 10.940 1.895 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -1.707 11.704 -0.263 1.00 0.00 H new ATOM 591 N ASN A 40 2.844 6.548 -2.852 1.00 0.00 N ATOM 592 CA ASN A 40 3.393 5.461 -3.645 1.00 0.00 C ATOM 593 C ASN A 40 3.397 4.179 -2.810 1.00 0.00 C ATOM 594 O ASN A 40 3.275 4.230 -1.588 1.00 0.00 O ATOM 595 CB ASN A 40 4.835 5.758 -4.064 1.00 0.00 C ATOM 596 CG ASN A 40 5.573 6.536 -2.974 1.00 0.00 C ATOM 597 OD1 ASN A 40 5.116 6.667 -1.850 1.00 0.00 O ATOM 598 ND2 ASN A 40 6.739 7.043 -3.366 1.00 0.00 N ATOM 0 H ASN A 40 2.383 6.257 -1.990 1.00 0.00 H new ATOM 0 HA ASN A 40 2.775 5.348 -4.536 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.358 4.824 -4.267 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.837 6.332 -4.991 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.308 7.578 -2.711 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.063 6.896 -4.322 1.00 0.00 H new ATOM 605 N VAL A 41 3.539 3.059 -3.505 1.00 0.00 N ATOM 606 CA VAL A 41 3.561 1.767 -2.842 1.00 0.00 C ATOM 607 C VAL A 41 5.002 1.254 -2.781 1.00 0.00 C ATOM 608 O VAL A 41 5.516 0.719 -3.762 1.00 0.00 O ATOM 609 CB VAL A 41 2.612 0.799 -3.552 1.00 0.00 C ATOM 610 CG1 VAL A 41 2.643 -0.583 -2.895 1.00 0.00 C ATOM 611 CG2 VAL A 41 1.187 1.356 -3.588 1.00 0.00 C ATOM 0 H VAL A 41 3.640 3.020 -4.519 1.00 0.00 H new ATOM 0 HA VAL A 41 3.204 1.858 -1.816 1.00 0.00 H new ATOM 0 HB VAL A 41 2.956 0.688 -4.580 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.959 -1.251 -3.420 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.654 -0.987 -2.945 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.337 -0.497 -1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.533 0.649 -4.098 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.831 1.510 -2.569 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.181 2.306 -4.122 1.00 0.00 H new ATOM 621 N ILE A 42 5.611 1.434 -1.620 1.00 0.00 N ATOM 622 CA ILE A 42 6.982 0.997 -1.417 1.00 0.00 C ATOM 623 C ILE A 42 7.012 -0.096 -0.347 1.00 0.00 C ATOM 624 O ILE A 42 7.524 0.117 0.751 1.00 0.00 O ATOM 625 CB ILE A 42 7.884 2.191 -1.101 1.00 0.00 C ATOM 626 CG1 ILE A 42 7.594 3.362 -2.041 1.00 0.00 C ATOM 627 CG2 ILE A 42 9.360 1.786 -1.129 1.00 0.00 C ATOM 628 CD1 ILE A 42 8.109 3.072 -3.453 1.00 0.00 C ATOM 0 H ILE A 42 5.180 1.877 -0.808 1.00 0.00 H new ATOM 0 HA ILE A 42 7.381 0.559 -2.332 1.00 0.00 H new ATOM 0 HB ILE A 42 7.661 2.528 -0.089 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.521 3.550 -2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.065 4.267 -1.657 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.980 2.653 -0.901 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.538 1.008 -0.387 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.615 1.408 -2.119 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.890 3.920 -4.101 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.186 2.908 -3.421 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.618 2.181 -3.843 1.00 0.00 H new ATOM 640 N PHE A 43 6.456 -1.246 -0.705 1.00 0.00 N ATOM 641 CA PHE A 43 6.412 -2.373 0.211 1.00 0.00 C ATOM 642 C PHE A 43 7.689 -2.447 1.050 1.00 0.00 C ATOM 643 O PHE A 43 8.735 -1.944 0.642 1.00 0.00 O ATOM 644 CB PHE A 43 6.302 -3.638 -0.642 1.00 0.00 C ATOM 645 CG PHE A 43 4.898 -3.896 -1.193 1.00 0.00 C ATOM 646 CD1 PHE A 43 3.954 -4.474 -0.403 1.00 0.00 C ATOM 647 CD2 PHE A 43 4.596 -3.549 -2.473 1.00 0.00 C ATOM 648 CE1 PHE A 43 2.651 -4.714 -0.916 1.00 0.00 C ATOM 649 CE2 PHE A 43 3.293 -3.790 -2.985 1.00 0.00 C ATOM 650 CZ PHE A 43 2.348 -4.367 -2.195 1.00 0.00 C ATOM 0 H PHE A 43 6.033 -1.420 -1.617 1.00 0.00 H new ATOM 0 HA PHE A 43 5.568 -2.267 0.892 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.000 -3.564 -1.476 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.610 -4.495 -0.044 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.194 -4.750 0.613 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.346 -3.090 -3.100 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.900 -5.173 -0.289 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.053 -3.515 -4.001 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.357 -4.549 -2.584 1.00 0.00 H new ATOM 660 N ASP A 44 7.562 -3.078 2.208 1.00 0.00 N ATOM 661 CA ASP A 44 8.693 -3.225 3.108 1.00 0.00 C ATOM 662 C ASP A 44 9.363 -4.578 2.862 1.00 0.00 C ATOM 663 O ASP A 44 10.578 -4.649 2.683 1.00 0.00 O ATOM 664 CB ASP A 44 8.243 -3.179 4.570 1.00 0.00 C ATOM 665 CG ASP A 44 9.257 -2.571 5.540 1.00 0.00 C ATOM 666 OD1 ASP A 44 10.355 -3.158 5.656 1.00 0.00 O ATOM 667 OD2 ASP A 44 8.913 -1.534 6.145 1.00 0.00 O ATOM 0 H ASP A 44 6.693 -3.493 2.544 1.00 0.00 H new ATOM 0 HA ASP A 44 9.384 -2.404 2.917 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.317 -2.608 4.631 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.014 -4.194 4.896 1.00 0.00 H new ATOM 672 N LYS A 45 8.542 -5.618 2.861 1.00 0.00 N ATOM 673 CA LYS A 45 9.040 -6.964 2.640 1.00 0.00 C ATOM 674 C LYS A 45 7.928 -7.971 2.939 1.00 0.00 C ATOM 675 O LYS A 45 7.126 -7.763 3.849 1.00 0.00 O ATOM 676 CB LYS A 45 10.318 -7.203 3.446 1.00 0.00 C ATOM 677 CG LYS A 45 11.538 -7.293 2.527 1.00 0.00 C ATOM 678 CD LYS A 45 12.565 -8.286 3.076 1.00 0.00 C ATOM 679 CE LYS A 45 13.976 -7.935 2.598 1.00 0.00 C ATOM 680 NZ LYS A 45 14.990 -8.550 3.483 1.00 0.00 N ATOM 0 H LYS A 45 7.535 -5.555 3.010 1.00 0.00 H new ATOM 0 HA LYS A 45 9.320 -7.098 1.595 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.457 -6.393 4.162 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.223 -8.124 4.021 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.225 -7.602 1.530 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.996 -6.309 2.427 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.534 -8.281 4.166 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.309 -9.295 2.754 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.117 -8.284 1.575 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.104 -6.853 2.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.942 -8.302 3.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.864 -8.197 4.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.878 -9.584 3.474 1.00 0.00 H new ATOM 694 N VAL A 46 7.913 -9.040 2.155 1.00 0.00 N ATOM 695 CA VAL A 46 6.912 -10.079 2.326 1.00 0.00 C ATOM 696 C VAL A 46 7.605 -11.440 2.407 1.00 0.00 C ATOM 697 O VAL A 46 8.731 -11.597 1.939 1.00 0.00 O ATOM 698 CB VAL A 46 5.880 -10.000 1.199 1.00 0.00 C ATOM 699 CG1 VAL A 46 5.302 -8.587 1.083 1.00 0.00 C ATOM 700 CG2 VAL A 46 6.483 -10.457 -0.130 1.00 0.00 C ATOM 0 H VAL A 46 8.578 -9.208 1.400 1.00 0.00 H new ATOM 0 HA VAL A 46 6.367 -9.936 3.259 1.00 0.00 H new ATOM 0 HB VAL A 46 5.062 -10.677 1.445 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.571 -8.558 0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.817 -8.314 2.020 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.105 -7.882 0.871 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.728 -10.391 -0.914 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.328 -9.818 -0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.823 -11.489 -0.040 1.00 0.00 H new ATOM 710 N PRO A 47 6.884 -12.416 3.022 1.00 0.00 N ATOM 711 CA PRO A 47 7.417 -13.759 3.170 1.00 0.00 C ATOM 712 C PRO A 47 7.375 -14.517 1.841 1.00 0.00 C ATOM 713 O PRO A 47 6.856 -14.008 0.849 1.00 0.00 O ATOM 714 CB PRO A 47 6.563 -14.405 4.249 1.00 0.00 C ATOM 715 CG PRO A 47 5.297 -13.568 4.333 1.00 0.00 C ATOM 716 CD PRO A 47 5.546 -12.268 3.588 1.00 0.00 C ATOM 0 HA PRO A 47 8.469 -13.764 3.456 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.331 -15.440 3.997 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.086 -14.419 5.205 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.456 -14.104 3.894 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.040 -13.368 5.373 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.801 -12.110 2.808 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.492 -11.411 4.259 1.00 0.00 H new ATOM 724 N ALA A 48 7.930 -15.719 1.864 1.00 0.00 N ATOM 725 CA ALA A 48 7.963 -16.552 0.674 1.00 0.00 C ATOM 726 C ALA A 48 8.816 -15.870 -0.397 1.00 0.00 C ATOM 727 O ALA A 48 9.376 -14.801 -0.161 1.00 0.00 O ATOM 728 CB ALA A 48 6.533 -16.818 0.198 1.00 0.00 C ATOM 0 H ALA A 48 8.361 -16.137 2.689 1.00 0.00 H new ATOM 0 HA ALA A 48 8.419 -17.517 0.893 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.557 -17.443 -0.695 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.977 -17.329 0.984 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.045 -15.872 -0.035 1.00 0.00 H new ATOM 734 N GLY A 49 8.890 -16.518 -1.550 1.00 0.00 N ATOM 735 CA GLY A 49 9.666 -15.987 -2.658 1.00 0.00 C ATOM 736 C GLY A 49 8.823 -15.042 -3.516 1.00 0.00 C ATOM 737 O GLY A 49 8.888 -15.088 -4.744 1.00 0.00 O ATOM 0 H GLY A 49 8.426 -17.406 -1.741 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.537 -15.456 -2.275 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.038 -16.807 -3.272 1.00 0.00 H new ATOM 741 N GLU A 50 8.051 -14.207 -2.837 1.00 0.00 N ATOM 742 CA GLU A 50 7.194 -13.254 -3.522 1.00 0.00 C ATOM 743 C GLU A 50 8.021 -12.073 -4.036 1.00 0.00 C ATOM 744 O GLU A 50 9.249 -12.100 -3.981 1.00 0.00 O ATOM 745 CB GLU A 50 6.065 -12.776 -2.608 1.00 0.00 C ATOM 746 CG GLU A 50 4.697 -13.089 -3.218 1.00 0.00 C ATOM 747 CD GLU A 50 4.159 -11.889 -4.003 1.00 0.00 C ATOM 748 OE1 GLU A 50 4.440 -10.753 -3.565 1.00 0.00 O ATOM 749 OE2 GLU A 50 3.479 -12.137 -5.022 1.00 0.00 O ATOM 0 H GLU A 50 8.001 -14.170 -1.819 1.00 0.00 H new ATOM 0 HA GLU A 50 6.737 -13.753 -4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.152 -13.258 -1.634 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.156 -11.703 -2.442 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.778 -13.953 -3.878 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.995 -13.356 -2.428 1.00 0.00 H new ATOM 756 N SER A 51 7.314 -11.063 -4.521 1.00 0.00 N ATOM 757 CA SER A 51 7.967 -9.875 -5.044 1.00 0.00 C ATOM 758 C SER A 51 7.537 -8.646 -4.240 1.00 0.00 C ATOM 759 O SER A 51 6.769 -7.819 -4.727 1.00 0.00 O ATOM 760 CB SER A 51 7.646 -9.678 -6.527 1.00 0.00 C ATOM 761 OG SER A 51 8.777 -9.929 -7.356 1.00 0.00 O ATOM 0 H SER A 51 6.295 -11.043 -4.563 1.00 0.00 H new ATOM 0 HA SER A 51 9.045 -10.006 -4.948 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.832 -10.344 -6.813 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.296 -8.659 -6.690 1.00 0.00 H new ATOM 0 HG SER A 51 8.531 -9.794 -8.295 1.00 0.00 H new ATOM 767 N ALA A 52 8.053 -8.565 -3.022 1.00 0.00 N ATOM 768 CA ALA A 52 7.733 -7.451 -2.146 1.00 0.00 C ATOM 769 C ALA A 52 8.511 -6.213 -2.597 1.00 0.00 C ATOM 770 O ALA A 52 7.927 -5.151 -2.806 1.00 0.00 O ATOM 771 CB ALA A 52 8.039 -7.836 -0.698 1.00 0.00 C ATOM 0 H ALA A 52 8.691 -9.253 -2.621 1.00 0.00 H new ATOM 0 HA ALA A 52 6.671 -7.212 -2.202 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.799 -7.000 -0.041 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.440 -8.702 -0.417 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.097 -8.081 -0.602 1.00 0.00 H new ATOM 777 N PRO A 53 9.851 -6.396 -2.739 1.00 0.00 N ATOM 778 CA PRO A 53 10.714 -5.307 -3.162 1.00 0.00 C ATOM 779 C PRO A 53 10.559 -5.033 -4.659 1.00 0.00 C ATOM 780 O PRO A 53 11.218 -4.149 -5.204 1.00 0.00 O ATOM 781 CB PRO A 53 12.118 -5.748 -2.781 1.00 0.00 C ATOM 782 CG PRO A 53 12.044 -7.253 -2.585 1.00 0.00 C ATOM 783 CD PRO A 53 10.577 -7.641 -2.501 1.00 0.00 C ATOM 0 HA PRO A 53 10.463 -4.361 -2.682 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.833 -5.491 -3.562 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.449 -5.251 -1.869 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.529 -7.770 -3.413 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.569 -7.546 -1.676 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.324 -8.396 -3.245 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.334 -8.061 -1.525 1.00 0.00 H new ATOM 791 N ALA A 54 9.685 -5.809 -5.282 1.00 0.00 N ATOM 792 CA ALA A 54 9.434 -5.662 -6.706 1.00 0.00 C ATOM 793 C ALA A 54 8.061 -5.019 -6.914 1.00 0.00 C ATOM 794 O ALA A 54 7.903 -4.146 -7.765 1.00 0.00 O ATOM 795 CB ALA A 54 9.549 -7.026 -7.389 1.00 0.00 C ATOM 0 H ALA A 54 9.141 -6.542 -4.827 1.00 0.00 H new ATOM 0 HA ALA A 54 10.177 -5.007 -7.161 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.361 -6.915 -8.457 1.00 0.00 H new ATOM 0 HB2 ALA A 54 10.552 -7.426 -7.237 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.817 -7.710 -6.961 1.00 0.00 H new ATOM 801 N LEU A 55 7.103 -5.478 -6.122 1.00 0.00 N ATOM 802 CA LEU A 55 5.748 -4.959 -6.209 1.00 0.00 C ATOM 803 C LEU A 55 5.764 -3.455 -5.929 1.00 0.00 C ATOM 804 O LEU A 55 5.004 -2.700 -6.533 1.00 0.00 O ATOM 805 CB LEU A 55 4.813 -5.746 -5.289 1.00 0.00 C ATOM 806 CG LEU A 55 4.111 -6.951 -5.918 1.00 0.00 C ATOM 807 CD1 LEU A 55 3.670 -7.950 -4.846 1.00 0.00 C ATOM 808 CD2 LEU A 55 2.945 -6.507 -6.802 1.00 0.00 C ATOM 0 H LEU A 55 7.238 -6.203 -5.417 1.00 0.00 H new ATOM 0 HA LEU A 55 5.353 -5.092 -7.216 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.388 -6.093 -4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.052 -5.065 -4.909 1.00 0.00 H new ATOM 0 HG LEU A 55 4.825 -7.464 -6.562 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.174 -8.797 -5.320 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.543 -8.302 -4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.979 -7.464 -4.158 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.464 -7.383 -7.237 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.222 -5.956 -6.201 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.317 -5.864 -7.600 1.00 0.00 H new ATOM 820 N SER A 56 6.638 -3.065 -5.012 1.00 0.00 N ATOM 821 CA SER A 56 6.763 -1.665 -4.645 1.00 0.00 C ATOM 822 C SER A 56 6.882 -0.802 -5.903 1.00 0.00 C ATOM 823 O SER A 56 7.941 -0.753 -6.527 1.00 0.00 O ATOM 824 CB SER A 56 7.969 -1.440 -3.731 1.00 0.00 C ATOM 825 OG SER A 56 8.999 -2.398 -3.961 1.00 0.00 O ATOM 0 H SER A 56 7.266 -3.695 -4.513 1.00 0.00 H new ATOM 0 HA SER A 56 5.867 -1.375 -4.097 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.364 -0.437 -3.892 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.650 -1.493 -2.690 1.00 0.00 H new ATOM 0 HG SER A 56 9.752 -2.220 -3.359 1.00 0.00 H new ATOM 831 N ASN A 57 5.782 -0.144 -6.237 1.00 0.00 N ATOM 832 CA ASN A 57 5.750 0.714 -7.409 1.00 0.00 C ATOM 833 C ASN A 57 6.094 2.147 -6.997 1.00 0.00 C ATOM 834 O ASN A 57 5.209 2.922 -6.638 1.00 0.00 O ATOM 835 CB ASN A 57 4.359 0.726 -8.045 1.00 0.00 C ATOM 836 CG ASN A 57 4.390 0.106 -9.445 1.00 0.00 C ATOM 837 OD1 ASN A 57 4.773 -1.035 -9.637 1.00 0.00 O ATOM 838 ND2 ASN A 57 3.967 0.921 -10.406 1.00 0.00 N ATOM 0 H ASN A 57 4.906 -0.188 -5.716 1.00 0.00 H new ATOM 0 HA ASN A 57 6.472 0.328 -8.129 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.662 0.174 -7.414 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.992 1.750 -8.105 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.950 0.602 -11.375 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.660 1.866 -10.175 1.00 0.00 H new ATOM 845 N THR A 58 7.381 2.454 -7.063 1.00 0.00 N ATOM 846 CA THR A 58 7.853 3.781 -6.701 1.00 0.00 C ATOM 847 C THR A 58 7.088 4.850 -7.482 1.00 0.00 C ATOM 848 O THR A 58 7.066 6.015 -7.088 1.00 0.00 O ATOM 849 CB THR A 58 9.364 3.823 -6.931 1.00 0.00 C ATOM 850 OG1 THR A 58 9.503 3.731 -8.346 1.00 0.00 O ATOM 851 CG2 THR A 58 10.073 2.574 -6.404 1.00 0.00 C ATOM 0 H THR A 58 8.112 1.808 -7.361 1.00 0.00 H new ATOM 0 HA THR A 58 7.664 3.996 -5.649 1.00 0.00 H new ATOM 0 HB THR A 58 9.780 4.707 -6.446 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.454 3.753 -8.583 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.143 2.656 -6.593 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.900 2.483 -5.332 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.682 1.692 -6.911 1.00 0.00 H new ATOM 859 N LYS A 59 6.480 4.417 -8.577 1.00 0.00 N ATOM 860 CA LYS A 59 5.716 5.322 -9.417 1.00 0.00 C ATOM 861 C LYS A 59 4.649 6.021 -8.570 1.00 0.00 C ATOM 862 O LYS A 59 3.524 5.537 -8.459 1.00 0.00 O ATOM 863 CB LYS A 59 5.150 4.580 -10.629 1.00 0.00 C ATOM 864 CG LYS A 59 5.192 5.460 -11.880 1.00 0.00 C ATOM 865 CD LYS A 59 4.034 5.128 -12.823 1.00 0.00 C ATOM 866 CE LYS A 59 4.102 5.977 -14.094 1.00 0.00 C ATOM 867 NZ LYS A 59 3.521 5.242 -15.240 1.00 0.00 N ATOM 0 H LYS A 59 6.501 3.450 -8.902 1.00 0.00 H new ATOM 0 HA LYS A 59 6.362 6.101 -9.822 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.723 3.669 -10.802 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.122 4.277 -10.427 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.142 6.510 -11.592 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.140 5.317 -12.398 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.066 4.071 -13.086 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.085 5.302 -12.315 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.563 6.912 -13.943 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.138 6.238 -14.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.575 5.832 -16.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.053 4.361 -15.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.526 5.015 -15.039 1.00 0.00 H new ATOM 881 N LEU A 60 5.041 7.148 -7.993 1.00 0.00 N ATOM 882 CA LEU A 60 4.133 7.917 -7.160 1.00 0.00 C ATOM 883 C LEU A 60 3.026 8.512 -8.034 1.00 0.00 C ATOM 884 O LEU A 60 3.276 8.919 -9.167 1.00 0.00 O ATOM 885 CB LEU A 60 4.904 8.961 -6.350 1.00 0.00 C ATOM 886 CG LEU A 60 6.027 9.690 -7.091 1.00 0.00 C ATOM 887 CD1 LEU A 60 6.052 11.175 -6.725 1.00 0.00 C ATOM 888 CD2 LEU A 60 7.377 9.015 -6.841 1.00 0.00 C ATOM 0 H LEU A 60 5.975 7.547 -8.086 1.00 0.00 H new ATOM 0 HA LEU A 60 3.649 7.271 -6.427 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.195 9.704 -5.984 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.331 8.470 -5.476 1.00 0.00 H new ATOM 0 HG LEU A 60 5.828 9.626 -8.161 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.859 11.669 -7.265 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.100 11.633 -6.996 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.214 11.283 -5.653 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.158 9.553 -7.379 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.598 9.027 -5.774 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.339 7.984 -7.192 1.00 0.00 H new ATOM 900 N ALA A 61 1.827 8.542 -7.472 1.00 0.00 N ATOM 901 CA ALA A 61 0.681 9.080 -8.186 1.00 0.00 C ATOM 902 C ALA A 61 0.420 10.512 -7.717 1.00 0.00 C ATOM 903 O ALA A 61 0.047 10.735 -6.566 1.00 0.00 O ATOM 904 CB ALA A 61 -0.529 8.167 -7.970 1.00 0.00 C ATOM 0 H ALA A 61 1.624 8.203 -6.532 1.00 0.00 H new ATOM 0 HA ALA A 61 0.878 9.114 -9.258 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.389 8.570 -8.505 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.303 7.169 -8.345 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.758 8.111 -6.906 1.00 0.00 H new ATOM 910 N ILE A 62 0.627 11.448 -8.632 1.00 0.00 N ATOM 911 CA ILE A 62 0.419 12.852 -8.327 1.00 0.00 C ATOM 912 C ILE A 62 -1.066 13.190 -8.480 1.00 0.00 C ATOM 913 O ILE A 62 -1.665 13.790 -7.589 1.00 0.00 O ATOM 914 CB ILE A 62 1.338 13.729 -9.181 1.00 0.00 C ATOM 915 CG1 ILE A 62 2.750 13.141 -9.247 1.00 0.00 C ATOM 916 CG2 ILE A 62 1.343 15.173 -8.678 1.00 0.00 C ATOM 917 CD1 ILE A 62 3.510 13.394 -7.945 1.00 0.00 C ATOM 0 H ILE A 62 0.937 11.260 -9.585 1.00 0.00 H new ATOM 0 HA ILE A 62 0.689 13.059 -7.291 1.00 0.00 H new ATOM 0 HB ILE A 62 0.946 13.744 -10.198 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.693 12.069 -9.437 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.294 13.584 -10.082 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.004 15.774 -9.303 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.332 15.578 -8.725 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.696 15.198 -7.647 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.510 12.966 -8.018 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.586 14.467 -7.771 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.976 12.929 -7.116 1.00 0.00 H new ATOM 929 N ALA A 63 -1.617 12.788 -9.616 1.00 0.00 N ATOM 930 CA ALA A 63 -3.021 13.039 -9.896 1.00 0.00 C ATOM 931 C ALA A 63 -3.856 11.859 -9.394 1.00 0.00 C ATOM 932 O ALA A 63 -3.431 10.709 -9.488 1.00 0.00 O ATOM 933 CB ALA A 63 -3.205 13.289 -11.395 1.00 0.00 C ATOM 0 H ALA A 63 -1.117 12.291 -10.353 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.364 13.931 -9.372 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.258 13.477 -11.606 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.614 14.155 -11.695 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.874 12.413 -11.953 1.00 0.00 H new ATOM 939 N PRO A 64 -5.060 12.194 -8.860 1.00 0.00 N ATOM 940 CA PRO A 64 -5.959 11.176 -8.343 1.00 0.00 C ATOM 941 C PRO A 64 -6.638 10.415 -9.483 1.00 0.00 C ATOM 942 O PRO A 64 -7.136 11.022 -10.430 1.00 0.00 O ATOM 943 CB PRO A 64 -6.943 11.930 -7.463 1.00 0.00 C ATOM 944 CG PRO A 64 -6.848 13.387 -7.885 1.00 0.00 C ATOM 945 CD PRO A 64 -5.597 13.546 -8.733 1.00 0.00 C ATOM 0 HA PRO A 64 -5.440 10.408 -7.769 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.956 11.550 -7.596 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.694 11.812 -6.408 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.733 13.679 -8.451 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.801 14.036 -7.010 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.832 13.972 -9.708 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.879 14.214 -8.258 1.00 0.00 H new ATOM 953 N GLY A 65 -6.637 9.096 -9.355 1.00 0.00 N ATOM 954 CA GLY A 65 -7.247 8.245 -10.362 1.00 0.00 C ATOM 955 C GLY A 65 -7.031 6.766 -10.034 1.00 0.00 C ATOM 956 O GLY A 65 -6.813 5.954 -10.932 1.00 0.00 O ATOM 0 H GLY A 65 -6.223 8.596 -8.568 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.315 8.456 -10.423 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.821 8.470 -11.340 1.00 0.00 H new ATOM 960 N SER A 66 -7.100 6.463 -8.747 1.00 0.00 N ATOM 961 CA SER A 66 -6.914 5.095 -8.290 1.00 0.00 C ATOM 962 C SER A 66 -5.596 4.538 -8.829 1.00 0.00 C ATOM 963 O SER A 66 -5.504 4.175 -10.001 1.00 0.00 O ATOM 964 CB SER A 66 -8.082 4.207 -8.722 1.00 0.00 C ATOM 965 OG SER A 66 -8.742 3.611 -7.608 1.00 0.00 O ATOM 0 H SER A 66 -7.282 7.140 -8.006 1.00 0.00 H new ATOM 0 HA SER A 66 -6.880 5.100 -7.201 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.797 4.801 -9.292 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.716 3.425 -9.387 1.00 0.00 H new ATOM 0 HG SER A 66 -9.482 3.053 -7.926 1.00 0.00 H new ATOM 971 N PHE A 67 -4.608 4.486 -7.948 1.00 0.00 N ATOM 972 CA PHE A 67 -3.298 3.979 -8.321 1.00 0.00 C ATOM 973 C PHE A 67 -3.422 2.799 -9.286 1.00 0.00 C ATOM 974 O PHE A 67 -3.223 2.954 -10.491 1.00 0.00 O ATOM 975 CB PHE A 67 -2.621 3.501 -7.035 1.00 0.00 C ATOM 976 CG PHE A 67 -1.494 4.415 -6.547 1.00 0.00 C ATOM 977 CD1 PHE A 67 -0.375 4.576 -7.303 1.00 0.00 C ATOM 978 CD2 PHE A 67 -1.612 5.065 -5.359 1.00 0.00 C ATOM 979 CE1 PHE A 67 0.670 5.425 -6.851 1.00 0.00 C ATOM 980 CE2 PHE A 67 -0.567 5.913 -4.907 1.00 0.00 C ATOM 981 CZ PHE A 67 0.552 6.075 -5.662 1.00 0.00 C ATOM 0 H PHE A 67 -4.688 4.787 -6.977 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.723 4.761 -8.817 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.373 3.418 -6.250 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.219 2.501 -7.198 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.281 4.059 -8.246 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.501 4.936 -4.759 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.558 5.555 -7.451 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.661 6.430 -3.963 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.347 6.720 -5.318 1.00 0.00 H new ATOM 991 N TYR A 68 -3.750 1.646 -8.723 1.00 0.00 N ATOM 992 CA TYR A 68 -3.904 0.441 -9.519 1.00 0.00 C ATOM 993 C TYR A 68 -4.317 -0.745 -8.646 1.00 0.00 C ATOM 994 O TYR A 68 -4.403 -0.621 -7.425 1.00 0.00 O ATOM 995 CB TYR A 68 -2.527 0.157 -10.125 1.00 0.00 C ATOM 996 CG TYR A 68 -1.377 0.241 -9.119 1.00 0.00 C ATOM 997 CD1 TYR A 68 -1.102 -0.830 -8.294 1.00 0.00 C ATOM 998 CD2 TYR A 68 -0.612 1.387 -9.039 1.00 0.00 C ATOM 999 CE1 TYR A 68 -0.020 -0.751 -7.348 1.00 0.00 C ATOM 1000 CE2 TYR A 68 0.470 1.466 -8.093 1.00 0.00 C ATOM 1001 CZ TYR A 68 0.713 0.393 -7.293 1.00 0.00 C ATOM 1002 OH TYR A 68 1.736 0.467 -6.400 1.00 0.00 O ATOM 0 H TYR A 68 -3.914 1.521 -7.724 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.675 0.579 -10.277 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.535 -0.838 -10.570 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.343 0.866 -10.932 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -1.699 -1.728 -8.358 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -0.825 2.225 -9.686 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.205 -1.582 -6.696 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.075 2.357 -8.020 1.00 0.00 H new ATOM 0 HH TYR A 68 2.015 1.401 -6.299 1.00 0.00 H new ATOM 1012 N SER A 69 -4.561 -1.868 -9.305 1.00 0.00 N ATOM 1013 CA SER A 69 -4.964 -3.076 -8.604 1.00 0.00 C ATOM 1014 C SER A 69 -3.875 -4.142 -8.730 1.00 0.00 C ATOM 1015 O SER A 69 -3.114 -4.147 -9.697 1.00 0.00 O ATOM 1016 CB SER A 69 -6.293 -3.608 -9.142 1.00 0.00 C ATOM 1017 OG SER A 69 -6.596 -3.082 -10.431 1.00 0.00 O ATOM 0 H SER A 69 -4.487 -1.967 -10.317 1.00 0.00 H new ATOM 0 HA SER A 69 -5.102 -2.830 -7.551 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.253 -4.696 -9.195 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.094 -3.351 -8.448 1.00 0.00 H new ATOM 0 HG SER A 69 -7.451 -3.447 -10.740 1.00 0.00 H new ATOM 1023 N VAL A 70 -3.834 -5.022 -7.741 1.00 0.00 N ATOM 1024 CA VAL A 70 -2.851 -6.091 -7.729 1.00 0.00 C ATOM 1025 C VAL A 70 -3.453 -7.325 -7.054 1.00 0.00 C ATOM 1026 O VAL A 70 -4.210 -7.204 -6.093 1.00 0.00 O ATOM 1027 CB VAL A 70 -1.563 -5.611 -7.056 1.00 0.00 C ATOM 1028 CG1 VAL A 70 -0.723 -4.767 -8.018 1.00 0.00 C ATOM 1029 CG2 VAL A 70 -1.870 -4.836 -5.773 1.00 0.00 C ATOM 0 H VAL A 70 -4.467 -5.016 -6.941 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.584 -6.375 -8.747 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.980 -6.491 -6.785 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.186 -4.439 -7.515 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.459 -5.364 -8.891 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.297 -3.896 -8.334 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.937 -4.507 -5.315 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.484 -3.967 -6.011 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.407 -5.481 -5.078 1.00 0.00 H new ATOM 1039 N THR A 71 -3.094 -8.485 -7.585 1.00 0.00 N ATOM 1040 CA THR A 71 -3.590 -9.740 -7.047 1.00 0.00 C ATOM 1041 C THR A 71 -2.476 -10.479 -6.304 1.00 0.00 C ATOM 1042 O THR A 71 -1.310 -10.399 -6.689 1.00 0.00 O ATOM 1043 CB THR A 71 -4.189 -10.546 -8.201 1.00 0.00 C ATOM 1044 OG1 THR A 71 -5.433 -9.902 -8.465 1.00 0.00 O ATOM 1045 CG2 THR A 71 -4.585 -11.963 -7.782 1.00 0.00 C ATOM 0 H THR A 71 -2.465 -8.582 -8.382 1.00 0.00 H new ATOM 0 HA THR A 71 -4.374 -9.571 -6.309 1.00 0.00 H new ATOM 0 HB THR A 71 -3.471 -10.597 -9.019 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.044 -10.535 -8.897 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.005 -12.492 -8.638 1.00 0.00 H new ATOM 0 HG22 THR A 71 -3.705 -12.496 -7.422 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.329 -11.913 -6.987 1.00 0.00 H new ATOM 1053 N LEU A 72 -2.872 -11.181 -5.253 1.00 0.00 N ATOM 1054 CA LEU A 72 -1.921 -11.933 -4.453 1.00 0.00 C ATOM 1055 C LEU A 72 -2.314 -13.412 -4.458 1.00 0.00 C ATOM 1056 O LEU A 72 -3.372 -13.775 -4.970 1.00 0.00 O ATOM 1057 CB LEU A 72 -1.807 -11.333 -3.050 1.00 0.00 C ATOM 1058 CG LEU A 72 -1.170 -9.945 -2.964 1.00 0.00 C ATOM 1059 CD1 LEU A 72 -1.235 -9.399 -1.537 1.00 0.00 C ATOM 1060 CD2 LEU A 72 0.261 -9.964 -3.506 1.00 0.00 C ATOM 0 H LEU A 72 -3.840 -11.245 -4.937 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.923 -11.865 -4.886 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.806 -11.280 -2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.227 -12.016 -2.430 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.744 -9.266 -3.594 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.775 -8.411 -1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.276 -9.325 -1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.700 -10.071 -0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.691 -8.965 -3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.862 -10.661 -2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.251 -10.280 -4.549 1.00 0.00 H new ATOM 1072 N GLY A 73 -1.441 -14.225 -3.884 1.00 0.00 N ATOM 1073 CA GLY A 73 -1.682 -15.657 -3.817 1.00 0.00 C ATOM 1074 C GLY A 73 -1.008 -16.269 -2.587 1.00 0.00 C ATOM 1075 O GLY A 73 -1.684 -16.781 -1.694 1.00 0.00 O ATOM 0 H GLY A 73 -0.565 -13.920 -3.460 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.755 -15.848 -3.781 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.303 -16.136 -4.720 1.00 0.00 H new ATOM 1079 N THR A 74 0.315 -16.199 -2.580 1.00 0.00 N ATOM 1080 CA THR A 74 1.087 -16.739 -1.474 1.00 0.00 C ATOM 1081 C THR A 74 0.556 -16.207 -0.142 1.00 0.00 C ATOM 1082 O THR A 74 0.280 -15.016 -0.011 1.00 0.00 O ATOM 1083 CB THR A 74 2.560 -16.406 -1.719 1.00 0.00 C ATOM 1084 OG1 THR A 74 2.797 -16.842 -3.054 1.00 0.00 O ATOM 1085 CG2 THR A 74 3.503 -17.264 -0.873 1.00 0.00 C ATOM 0 H THR A 74 0.872 -15.776 -3.323 1.00 0.00 H new ATOM 0 HA THR A 74 0.990 -17.823 -1.416 1.00 0.00 H new ATOM 0 HB THR A 74 2.735 -15.352 -1.501 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.729 -16.662 -3.296 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.536 -16.987 -1.085 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.294 -17.101 0.184 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.352 -18.316 -1.114 1.00 0.00 H new ATOM 1093 N PRO A 75 0.426 -17.140 0.840 1.00 0.00 N ATOM 1094 CA PRO A 75 -0.066 -16.777 2.158 1.00 0.00 C ATOM 1095 C PRO A 75 1.006 -16.034 2.957 1.00 0.00 C ATOM 1096 O PRO A 75 2.195 -16.320 2.824 1.00 0.00 O ATOM 1097 CB PRO A 75 -0.482 -18.091 2.798 1.00 0.00 C ATOM 1098 CG PRO A 75 0.220 -19.181 2.005 1.00 0.00 C ATOM 1099 CD PRO A 75 0.744 -18.560 0.721 1.00 0.00 C ATOM 0 HA PRO A 75 -0.908 -16.086 2.118 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.192 -18.123 3.848 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.564 -18.217 2.763 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.039 -19.607 2.585 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.470 -19.995 1.781 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.817 -18.718 0.614 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.268 -19.000 -0.155 1.00 0.00 H new ATOM 1107 N GLY A 76 0.547 -15.094 3.771 1.00 0.00 N ATOM 1108 CA GLY A 76 1.452 -14.309 4.593 1.00 0.00 C ATOM 1109 C GLY A 76 0.911 -12.893 4.803 1.00 0.00 C ATOM 1110 O GLY A 76 -0.160 -12.553 4.302 1.00 0.00 O ATOM 0 H GLY A 76 -0.440 -14.859 3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.589 -14.797 5.558 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.432 -14.261 4.118 1.00 0.00 H new ATOM 1114 N THR A 77 1.675 -12.106 5.547 1.00 0.00 N ATOM 1115 CA THR A 77 1.286 -10.735 5.830 1.00 0.00 C ATOM 1116 C THR A 77 2.257 -9.757 5.165 1.00 0.00 C ATOM 1117 O THR A 77 3.436 -9.714 5.513 1.00 0.00 O ATOM 1118 CB THR A 77 1.204 -10.572 7.349 1.00 0.00 C ATOM 1119 OG1 THR A 77 0.075 -11.355 7.723 1.00 0.00 O ATOM 1120 CG2 THR A 77 0.825 -9.149 7.766 1.00 0.00 C ATOM 0 H THR A 77 2.562 -12.392 5.962 1.00 0.00 H new ATOM 0 HA THR A 77 0.306 -10.507 5.410 1.00 0.00 H new ATOM 0 HB THR A 77 2.163 -10.838 7.794 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.050 -11.306 8.694 1.00 0.00 H new ATOM 0 HG21 THR A 77 0.781 -9.088 8.853 1.00 0.00 H new ATOM 0 HG22 THR A 77 1.573 -8.449 7.394 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.149 -8.895 7.348 1.00 0.00 H new ATOM 1128 N TYR A 78 1.724 -8.996 4.220 1.00 0.00 N ATOM 1129 CA TYR A 78 2.530 -8.021 3.503 1.00 0.00 C ATOM 1130 C TYR A 78 2.526 -6.671 4.224 1.00 0.00 C ATOM 1131 O TYR A 78 1.478 -6.204 4.669 1.00 0.00 O ATOM 1132 CB TYR A 78 1.869 -7.856 2.133 1.00 0.00 C ATOM 1133 CG TYR A 78 2.018 -9.076 1.220 1.00 0.00 C ATOM 1134 CD1 TYR A 78 1.488 -10.292 1.600 1.00 0.00 C ATOM 1135 CD2 TYR A 78 2.683 -8.959 0.016 1.00 0.00 C ATOM 1136 CE1 TYR A 78 1.628 -11.438 0.741 1.00 0.00 C ATOM 1137 CE2 TYR A 78 2.823 -10.106 -0.842 1.00 0.00 C ATOM 1138 CZ TYR A 78 2.289 -11.289 -0.438 1.00 0.00 C ATOM 1139 OH TYR A 78 2.421 -12.373 -1.250 1.00 0.00 O ATOM 0 H TYR A 78 0.746 -9.034 3.934 1.00 0.00 H new ATOM 0 HA TYR A 78 3.565 -8.355 3.431 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.808 -7.648 2.275 1.00 0.00 H new ATOM 0 HB3 TYR A 78 2.300 -6.987 1.635 1.00 0.00 H new ATOM 0 HD1 TYR A 78 0.968 -10.384 2.542 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.098 -8.007 -0.282 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.217 -12.395 1.026 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.341 -10.029 -1.786 1.00 0.00 H new ATOM 0 HH TYR A 78 1.657 -12.418 -1.863 1.00 0.00 H new ATOM 1149 N SER A 79 3.709 -6.083 4.316 1.00 0.00 N ATOM 1150 CA SER A 79 3.855 -4.796 4.974 1.00 0.00 C ATOM 1151 C SER A 79 4.461 -3.778 4.005 1.00 0.00 C ATOM 1152 O SER A 79 5.408 -4.089 3.285 1.00 0.00 O ATOM 1153 CB SER A 79 4.722 -4.915 6.229 1.00 0.00 C ATOM 1154 OG SER A 79 4.892 -6.270 6.634 1.00 0.00 O ATOM 0 H SER A 79 4.575 -6.474 3.946 1.00 0.00 H new ATOM 0 HA SER A 79 2.866 -4.454 5.279 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.698 -4.468 6.039 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.265 -4.349 7.040 1.00 0.00 H new ATOM 0 HG SER A 79 5.453 -6.303 7.437 1.00 0.00 H new ATOM 1160 N PHE A 80 3.889 -2.582 4.019 1.00 0.00 N ATOM 1161 CA PHE A 80 4.360 -1.518 3.150 1.00 0.00 C ATOM 1162 C PHE A 80 4.456 -0.193 3.910 1.00 0.00 C ATOM 1163 O PHE A 80 4.025 -0.099 5.057 1.00 0.00 O ATOM 1164 CB PHE A 80 3.336 -1.373 2.023 1.00 0.00 C ATOM 1165 CG PHE A 80 1.895 -1.659 2.451 1.00 0.00 C ATOM 1166 CD1 PHE A 80 1.538 -2.912 2.841 1.00 0.00 C ATOM 1167 CD2 PHE A 80 0.972 -0.660 2.443 1.00 0.00 C ATOM 1168 CE1 PHE A 80 0.200 -3.177 3.238 1.00 0.00 C ATOM 1169 CE2 PHE A 80 -0.365 -0.925 2.840 1.00 0.00 C ATOM 1170 CZ PHE A 80 -0.723 -2.178 3.229 1.00 0.00 C ATOM 0 H PHE A 80 3.104 -2.327 4.619 1.00 0.00 H new ATOM 0 HA PHE A 80 5.352 -1.761 2.768 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.391 -0.360 1.624 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.605 -2.050 1.212 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.271 -3.705 2.849 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.256 0.335 2.135 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.084 -4.172 3.547 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.098 -0.132 2.833 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.740 -2.380 3.531 1.00 0.00 H new ATOM 1180 N TYR A 81 5.024 0.798 3.238 1.00 0.00 N ATOM 1181 CA TYR A 81 5.182 2.113 3.835 1.00 0.00 C ATOM 1182 C TYR A 81 5.309 3.192 2.757 1.00 0.00 C ATOM 1183 O TYR A 81 5.631 2.893 1.609 1.00 0.00 O ATOM 1184 CB TYR A 81 6.481 2.057 4.640 1.00 0.00 C ATOM 1185 CG TYR A 81 7.729 1.808 3.791 1.00 0.00 C ATOM 1186 CD1 TYR A 81 8.178 2.781 2.921 1.00 0.00 C ATOM 1187 CD2 TYR A 81 8.406 0.610 3.895 1.00 0.00 C ATOM 1188 CE1 TYR A 81 9.353 2.546 2.122 1.00 0.00 C ATOM 1189 CE2 TYR A 81 9.581 0.375 3.097 1.00 0.00 C ATOM 1190 CZ TYR A 81 9.997 1.355 2.249 1.00 0.00 C ATOM 1191 OH TYR A 81 11.106 1.133 1.495 1.00 0.00 O ATOM 0 H TYR A 81 5.380 0.716 2.286 1.00 0.00 H new ATOM 0 HA TYR A 81 4.319 2.361 4.452 1.00 0.00 H new ATOM 0 HB2 TYR A 81 6.603 2.996 5.180 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.399 1.268 5.388 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.648 3.719 2.839 1.00 0.00 H new ATOM 0 HD2 TYR A 81 8.054 -0.152 4.575 1.00 0.00 H new ATOM 0 HE1 TYR A 81 9.715 3.299 1.437 1.00 0.00 H new ATOM 0 HE2 TYR A 81 10.120 -0.558 3.170 1.00 0.00 H new ATOM 0 HH TYR A 81 11.462 0.241 1.691 1.00 0.00 H new ATOM 1201 N CYS A 82 5.049 4.426 3.168 1.00 0.00 N ATOM 1202 CA CYS A 82 5.131 5.551 2.252 1.00 0.00 C ATOM 1203 C CYS A 82 6.596 5.982 2.149 1.00 0.00 C ATOM 1204 O CYS A 82 7.319 5.977 3.144 1.00 0.00 O ATOM 1205 CB CYS A 82 4.227 6.704 2.691 1.00 0.00 C ATOM 1206 SG CYS A 82 3.332 7.539 1.330 1.00 0.00 S ATOM 0 H CYS A 82 4.782 4.670 4.122 1.00 0.00 H new ATOM 0 HA CYS A 82 4.773 5.249 1.268 1.00 0.00 H new ATOM 0 HB2 CYS A 82 3.498 6.323 3.407 1.00 0.00 H new ATOM 0 HB3 CYS A 82 4.833 7.443 3.216 1.00 0.00 H new ATOM 1211 N THR A 83 6.990 6.342 0.937 1.00 0.00 N ATOM 1212 CA THR A 83 8.355 6.774 0.691 1.00 0.00 C ATOM 1213 C THR A 83 8.542 8.227 1.133 1.00 0.00 C ATOM 1214 O THR A 83 9.512 8.552 1.816 1.00 0.00 O ATOM 1215 CB THR A 83 8.663 6.546 -0.790 1.00 0.00 C ATOM 1216 OG1 THR A 83 9.649 5.516 -0.784 1.00 0.00 O ATOM 1217 CG2 THR A 83 9.376 7.739 -1.431 1.00 0.00 C ATOM 0 H THR A 83 6.387 6.343 0.114 1.00 0.00 H new ATOM 0 HA THR A 83 9.066 6.194 1.279 1.00 0.00 H new ATOM 0 HB THR A 83 7.736 6.346 -1.327 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.906 5.304 -1.706 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.571 7.525 -2.482 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.746 8.625 -1.352 1.00 0.00 H new ATOM 0 HG23 THR A 83 10.320 7.918 -0.916 1.00 0.00 H new ATOM 1225 N PRO A 84 7.572 9.084 0.716 1.00 0.00 N ATOM 1226 CA PRO A 84 7.621 10.494 1.062 1.00 0.00 C ATOM 1227 C PRO A 84 7.233 10.714 2.526 1.00 0.00 C ATOM 1228 O PRO A 84 7.910 11.443 3.249 1.00 0.00 O ATOM 1229 CB PRO A 84 6.671 11.172 0.088 1.00 0.00 C ATOM 1230 CG PRO A 84 5.778 10.069 -0.457 1.00 0.00 C ATOM 1231 CD PRO A 84 6.409 8.735 -0.093 1.00 0.00 C ATOM 0 HA PRO A 84 8.624 10.913 0.977 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.082 11.941 0.588 1.00 0.00 H new ATOM 0 HB3 PRO A 84 7.220 11.663 -0.715 1.00 0.00 H new ATOM 0 HG2 PRO A 84 4.776 10.145 -0.034 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.676 10.160 -1.538 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.714 8.107 0.464 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.699 8.178 -0.984 1.00 0.00 H new ATOM 1239 N HIS A 85 6.144 10.069 2.919 1.00 0.00 N ATOM 1240 CA HIS A 85 5.659 10.184 4.284 1.00 0.00 C ATOM 1241 C HIS A 85 6.339 9.131 5.162 1.00 0.00 C ATOM 1242 O HIS A 85 5.910 8.886 6.287 1.00 0.00 O ATOM 1243 CB HIS A 85 4.132 10.093 4.326 1.00 0.00 C ATOM 1244 CG HIS A 85 3.430 11.191 3.563 1.00 0.00 C ATOM 1245 ND1 HIS A 85 2.849 10.989 2.323 1.00 0.00 N ATOM 1246 CD2 HIS A 85 3.221 12.502 3.877 1.00 0.00 C ATOM 1247 CE1 HIS A 85 2.318 12.134 1.919 1.00 0.00 C ATOM 1248 NE2 HIS A 85 2.551 13.071 2.882 1.00 0.00 N ATOM 0 H HIS A 85 5.584 9.466 2.316 1.00 0.00 H new ATOM 0 HA HIS A 85 5.919 11.164 4.685 1.00 0.00 H new ATOM 0 HB2 HIS A 85 3.824 9.129 3.921 1.00 0.00 H new ATOM 0 HB3 HIS A 85 3.805 10.121 5.365 1.00 0.00 H new ATOM 0 HD2 HIS A 85 3.546 12.994 4.782 1.00 0.00 H new ATOM 0 HE1 HIS A 85 1.793 12.297 0.990 1.00 0.00 H new ATOM 0 HE2 HIS A 85 2.259 14.048 2.844 1.00 0.00 H new ATOM 1256 N ARG A 86 7.391 8.541 4.613 1.00 0.00 N ATOM 1257 CA ARG A 86 8.136 7.521 5.332 1.00 0.00 C ATOM 1258 C ARG A 86 8.397 7.971 6.771 1.00 0.00 C ATOM 1259 O ARG A 86 8.575 7.141 7.662 1.00 0.00 O ATOM 1260 CB ARG A 86 9.472 7.228 4.647 1.00 0.00 C ATOM 1261 CG ARG A 86 10.020 5.865 5.073 1.00 0.00 C ATOM 1262 CD ARG A 86 10.503 5.064 3.863 1.00 0.00 C ATOM 1263 NE ARG A 86 11.555 4.109 4.275 1.00 0.00 N ATOM 1264 CZ ARG A 86 12.475 3.600 3.444 1.00 0.00 C ATOM 1265 NH1 ARG A 86 12.478 3.953 2.150 1.00 0.00 N ATOM 1266 NH2 ARG A 86 13.392 2.740 3.905 1.00 0.00 N ATOM 0 H ARG A 86 7.745 8.750 3.679 1.00 0.00 H new ATOM 0 HA ARG A 86 7.535 6.612 5.334 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.342 7.250 3.565 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.192 8.007 4.897 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.843 6.003 5.774 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.245 5.306 5.598 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.667 4.526 3.416 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.892 5.740 3.101 1.00 0.00 H new ATOM 0 HE ARG A 86 11.582 3.820 5.253 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.780 4.609 1.799 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.178 3.566 1.517 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.391 2.472 4.889 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.092 2.353 3.272 1.00 0.00 H new ATOM 1280 N GLY A 87 8.412 9.283 6.954 1.00 0.00 N ATOM 1281 CA GLY A 87 8.649 9.852 8.270 1.00 0.00 C ATOM 1282 C GLY A 87 7.330 10.221 8.953 1.00 0.00 C ATOM 1283 O GLY A 87 7.245 10.231 10.180 1.00 0.00 O ATOM 0 H GLY A 87 8.264 9.968 6.213 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.194 9.137 8.886 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.276 10.739 8.179 1.00 0.00 H new ATOM 1287 N ALA A 88 6.335 10.514 8.129 1.00 0.00 N ATOM 1288 CA ALA A 88 5.025 10.882 8.638 1.00 0.00 C ATOM 1289 C ALA A 88 4.436 9.704 9.416 1.00 0.00 C ATOM 1290 O ALA A 88 3.581 9.892 10.282 1.00 0.00 O ATOM 1291 CB ALA A 88 4.130 11.319 7.476 1.00 0.00 C ATOM 0 H ALA A 88 6.410 10.504 7.112 1.00 0.00 H new ATOM 0 HA ALA A 88 5.103 11.725 9.325 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.147 11.595 7.858 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.578 12.176 6.974 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.026 10.497 6.768 1.00 0.00 H new ATOM 1297 N GLY A 89 4.917 8.515 9.082 1.00 0.00 N ATOM 1298 CA GLY A 89 4.447 7.307 9.738 1.00 0.00 C ATOM 1299 C GLY A 89 3.265 6.696 8.985 1.00 0.00 C ATOM 1300 O GLY A 89 2.212 6.449 9.570 1.00 0.00 O ATOM 0 H GLY A 89 5.627 8.363 8.366 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.259 6.582 9.797 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.151 7.537 10.761 1.00 0.00 H new ATOM 1304 N MET A 90 3.478 6.471 7.697 1.00 0.00 N ATOM 1305 CA MET A 90 2.442 5.893 6.857 1.00 0.00 C ATOM 1306 C MET A 90 2.811 4.471 6.432 1.00 0.00 C ATOM 1307 O MET A 90 3.659 4.279 5.561 1.00 0.00 O ATOM 1308 CB MET A 90 2.249 6.764 5.613 1.00 0.00 C ATOM 1309 CG MET A 90 1.294 7.926 5.901 1.00 0.00 C ATOM 1310 SD MET A 90 0.537 8.482 4.382 1.00 0.00 S ATOM 1311 CE MET A 90 -0.096 6.932 3.765 1.00 0.00 C ATOM 0 H MET A 90 4.352 6.678 7.214 1.00 0.00 H new ATOM 0 HA MET A 90 1.516 5.852 7.430 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.212 7.153 5.284 1.00 0.00 H new ATOM 0 HB3 MET A 90 1.855 6.158 4.798 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.525 7.610 6.606 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.837 8.747 6.369 1.00 0.00 H new ATOM 0 HE1 MET A 90 -1.014 7.111 3.204 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.644 6.471 3.111 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.306 6.266 4.602 1.00 0.00 H new ATOM 1321 N VAL A 91 2.155 3.510 7.064 1.00 0.00 N ATOM 1322 CA VAL A 91 2.402 2.110 6.763 1.00 0.00 C ATOM 1323 C VAL A 91 1.078 1.346 6.781 1.00 0.00 C ATOM 1324 O VAL A 91 0.122 1.770 7.431 1.00 0.00 O ATOM 1325 CB VAL A 91 3.435 1.540 7.737 1.00 0.00 C ATOM 1326 CG1 VAL A 91 4.859 1.852 7.271 1.00 0.00 C ATOM 1327 CG2 VAL A 91 3.196 2.059 9.156 1.00 0.00 C ATOM 0 H VAL A 91 1.452 3.673 7.784 1.00 0.00 H new ATOM 0 HA VAL A 91 2.824 2.004 5.763 1.00 0.00 H new ATOM 0 HB VAL A 91 3.318 0.456 7.753 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.574 1.436 7.981 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.025 1.411 6.288 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.994 2.932 7.211 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.944 1.638 9.828 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.272 3.146 9.163 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.201 1.763 9.489 1.00 0.00 H new ATOM 1337 N GLY A 92 1.062 0.234 6.062 1.00 0.00 N ATOM 1338 CA GLY A 92 -0.131 -0.593 5.987 1.00 0.00 C ATOM 1339 C GLY A 92 0.232 -2.079 5.972 1.00 0.00 C ATOM 1340 O GLY A 92 1.402 -2.434 5.842 1.00 0.00 O ATOM 0 H GLY A 92 1.856 -0.114 5.526 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.778 -0.382 6.838 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.695 -0.344 5.088 1.00 0.00 H new ATOM 1344 N THR A 93 -0.793 -2.907 6.108 1.00 0.00 N ATOM 1345 CA THR A 93 -0.597 -4.347 6.112 1.00 0.00 C ATOM 1346 C THR A 93 -1.627 -5.028 5.209 1.00 0.00 C ATOM 1347 O THR A 93 -2.736 -4.525 5.038 1.00 0.00 O ATOM 1348 CB THR A 93 -0.648 -4.827 7.564 1.00 0.00 C ATOM 1349 OG1 THR A 93 -0.340 -3.663 8.325 1.00 0.00 O ATOM 1350 CG2 THR A 93 0.483 -5.802 7.898 1.00 0.00 C ATOM 0 H THR A 93 -1.762 -2.608 6.216 1.00 0.00 H new ATOM 0 HA THR A 93 0.376 -4.615 5.700 1.00 0.00 H new ATOM 0 HB THR A 93 -1.608 -5.306 7.755 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.353 -3.884 9.280 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.401 -6.112 8.940 1.00 0.00 H new ATOM 0 HG22 THR A 93 0.411 -6.677 7.252 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.444 -5.312 7.740 1.00 0.00 H new ATOM 1358 N ILE A 94 -1.224 -6.162 4.656 1.00 0.00 N ATOM 1359 CA ILE A 94 -2.098 -6.918 3.775 1.00 0.00 C ATOM 1360 C ILE A 94 -1.766 -8.407 3.888 1.00 0.00 C ATOM 1361 O ILE A 94 -0.698 -8.842 3.463 1.00 0.00 O ATOM 1362 CB ILE A 94 -2.017 -6.377 2.346 1.00 0.00 C ATOM 1363 CG1 ILE A 94 -2.533 -4.938 2.274 1.00 0.00 C ATOM 1364 CG2 ILE A 94 -2.749 -7.298 1.368 1.00 0.00 C ATOM 1365 CD1 ILE A 94 -2.372 -4.368 0.863 1.00 0.00 C ATOM 0 H ILE A 94 -0.303 -6.576 4.801 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.138 -6.799 4.078 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.969 -6.359 2.047 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.583 -4.910 2.564 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.989 -4.317 2.985 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -2.676 -6.890 0.360 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.295 -8.289 1.392 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.798 -7.372 1.654 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.746 -3.345 0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.318 -4.375 0.586 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.937 -4.977 0.158 1.00 0.00 H new ATOM 1377 N THR A 95 -2.703 -9.146 4.465 1.00 0.00 N ATOM 1378 CA THR A 95 -2.524 -10.577 4.639 1.00 0.00 C ATOM 1379 C THR A 95 -3.279 -11.347 3.553 1.00 0.00 C ATOM 1380 O THR A 95 -4.247 -10.840 2.988 1.00 0.00 O ATOM 1381 CB THR A 95 -2.965 -10.939 6.059 1.00 0.00 C ATOM 1382 OG1 THR A 95 -2.593 -12.308 6.200 1.00 0.00 O ATOM 1383 CG2 THR A 95 -4.487 -10.949 6.214 1.00 0.00 C ATOM 0 H THR A 95 -3.588 -8.780 4.818 1.00 0.00 H new ATOM 0 HA THR A 95 -1.478 -10.861 4.525 1.00 0.00 H new ATOM 0 HB THR A 95 -2.532 -10.230 6.765 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.781 -12.482 5.680 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.747 -11.212 7.240 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.883 -9.960 5.981 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.917 -11.682 5.532 1.00 0.00 H new ATOM 1391 N VAL A 96 -2.809 -12.557 3.295 1.00 0.00 N ATOM 1392 CA VAL A 96 -3.427 -13.401 2.287 1.00 0.00 C ATOM 1393 C VAL A 96 -3.694 -14.786 2.881 1.00 0.00 C ATOM 1394 O VAL A 96 -3.011 -15.752 2.543 1.00 0.00 O ATOM 1395 CB VAL A 96 -2.552 -13.447 1.033 1.00 0.00 C ATOM 1396 CG1 VAL A 96 -2.865 -14.685 0.189 1.00 0.00 C ATOM 1397 CG2 VAL A 96 -2.708 -12.168 0.209 1.00 0.00 C ATOM 0 H VAL A 96 -2.007 -12.974 3.767 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.388 -12.988 1.981 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.512 -13.515 1.353 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.229 -14.692 -0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.678 -15.583 0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.911 -14.662 -0.116 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.075 -12.226 -0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.749 -12.056 -0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.411 -11.309 0.811 1.00 0.00 H new ATOM 1407 N GLU A 97 -4.688 -14.839 3.755 1.00 0.00 N ATOM 1408 CA GLU A 97 -5.054 -16.089 4.398 1.00 0.00 C ATOM 1409 C GLU A 97 -5.916 -16.937 3.462 1.00 0.00 C ATOM 1410 O GLU A 97 -6.410 -17.993 3.852 1.00 0.00 O ATOM 1411 CB GLU A 97 -5.773 -15.833 5.724 1.00 0.00 C ATOM 1412 CG GLU A 97 -4.844 -16.093 6.911 1.00 0.00 C ATOM 1413 CD GLU A 97 -5.203 -17.404 7.614 1.00 0.00 C ATOM 1414 OE1 GLU A 97 -5.195 -18.442 6.917 1.00 0.00 O ATOM 1415 OE2 GLU A 97 -5.480 -17.340 8.831 1.00 0.00 O ATOM 1416 OXT GLU A 97 -6.073 -16.441 2.243 1.00 0.00 O ATOM 0 H GLU A 97 -5.252 -14.036 4.033 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.141 -16.642 4.618 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.130 -14.803 5.755 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.650 -16.476 5.796 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.811 -16.133 6.566 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.913 -15.267 7.618 1.00 0.00 H new TER 1423 GLU A 97 HETATM 1424 CU CU1 A 110 1.835 9.178 1.954 1.00 0.00 CU