USER MOD reduce.3.24.130724 H: found=0, std=0, add=1012, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1007 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 LYS NZ :NH3+ 168:sc= -0.115 (180deg=-0.248) USER MOD Set 1.2: A 70 TYR OH : rot 180:sc= -1.72 USER MOD Set 2.1: A 54 THR OG1 : rot -63:sc= 1.31 USER MOD Set 2.2: A 57 SER OG : rot 40:sc= 0.379 USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.0983 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 8:sc= 1.08 USER MOD Single : A 14 THR OG1 : rot 67:sc= 0.573 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0148 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0021 X(o=-0.0021,f=-0.15) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -6.07! C(o=-6.1!,f=-12!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= -1.85 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.74 USER MOD Single : A 42 HIS : no HD1:sc= 0.805 K(o=0.8,f=-4.1!) USER MOD Single : A 43 GLN : amide:sc= -0.303 K(o=-0.3,f=-2.7!) USER MOD Single : A 46 THR OG1 : rot -23:sc= 0.562 USER MOD Single : A 48 ASN : amide:sc= -4.12! K(o=-4.1!,f=-4.7) USER MOD Single : A 50 GLN : amide:sc= -0.287 K(o=-0.29,f=-2.7!) USER MOD Single : A 52 HIS : no HE2:sc= -0.092 X(o=-0.092,f=-0.59) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.271 X(o=-0.27,f=-0.0049) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -56:sc= 1.27 USER MOD Single : A 72 MET CE :methyl -143:sc= -9.44! (180deg=-13.5!) USER MOD Single : A 75 ASN : amide:sc=-0.00861 X(o=-0.0086,f=-0.16) USER MOD Single : A 76 ASN : amide:sc= -3.23! C(o=-3.2!,f=-3.7!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 67:sc= 1.25 USER MOD Single : A 87 SER OG : rot 180:sc= -0.125 USER MOD Single : A 88 LYS NZ :NH3+ -134:sc= -0.112 (180deg=-0.577) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 143:sc= 0 (180deg=-0.376) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -17:sc= 0.389 USER MOD Single : A 99 CYS SG : rot 180:sc= -0.0497 USER MOD Single : A 101 LYS NZ :NH3+ -162:sc= 0.871 (180deg=-0.375!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.14 K(o=-0.14,f=-3.9!) USER MOD Single : A 106 THR OG1 : rot 26:sc= 0.055 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot -170:sc= -0.641 USER MOD Single : A 113 GLN : amide:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 CYS SG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -150:sc=-0.00336 (180deg=-0.0667) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 34:sc= 0.316 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.391 -43.137 19.314 1.00 0.00 N ATOM 2 CA GLY A 1 -12.704 -41.776 18.913 1.00 0.00 C ATOM 3 C GLY A 1 -11.542 -41.151 18.139 1.00 0.00 C ATOM 4 O GLY A 1 -10.634 -41.855 17.700 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.223 -43.743 19.165 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.597 -43.493 18.744 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.128 -43.151 20.320 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.601 -41.773 18.294 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.923 -41.175 19.795 1.00 0.00 H new ATOM 8 N SER A 2 -11.607 -39.835 17.996 1.00 0.00 N ATOM 9 CA SER A 2 -10.571 -39.108 17.283 1.00 0.00 C ATOM 10 C SER A 2 -10.738 -37.604 17.509 1.00 0.00 C ATOM 11 O SER A 2 -11.716 -37.009 17.058 1.00 0.00 O ATOM 12 CB SER A 2 -10.605 -39.426 15.787 1.00 0.00 C ATOM 13 OG SER A 2 -9.570 -38.755 15.074 1.00 0.00 O ATOM 0 H SER A 2 -12.361 -39.254 18.362 1.00 0.00 H new ATOM 0 HA SER A 2 -9.603 -39.423 17.672 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.506 -40.502 15.643 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.573 -39.138 15.377 1.00 0.00 H new ATOM 0 HG SER A 2 -9.625 -38.986 14.123 1.00 0.00 H new ATOM 19 N SER A 3 -9.767 -37.032 18.207 1.00 0.00 N ATOM 20 CA SER A 3 -9.794 -35.609 18.499 1.00 0.00 C ATOM 21 C SER A 3 -8.438 -34.982 18.171 1.00 0.00 C ATOM 22 O SER A 3 -7.450 -35.237 18.858 1.00 0.00 O ATOM 23 CB SER A 3 -10.157 -35.353 19.963 1.00 0.00 C ATOM 24 OG SER A 3 -11.549 -35.099 20.131 1.00 0.00 O ATOM 0 H SER A 3 -8.957 -37.528 18.578 1.00 0.00 H new ATOM 0 HA SER A 3 -10.561 -35.147 17.877 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.871 -36.216 20.564 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.586 -34.502 20.335 1.00 0.00 H new ATOM 0 HG SER A 3 -11.741 -34.942 21.079 1.00 0.00 H new ATOM 30 N GLY A 4 -8.434 -34.173 17.121 1.00 0.00 N ATOM 31 CA GLY A 4 -7.215 -33.508 16.694 1.00 0.00 C ATOM 32 C GLY A 4 -7.375 -32.917 15.292 1.00 0.00 C ATOM 33 O GLY A 4 -7.103 -33.587 14.297 1.00 0.00 O ATOM 0 H GLY A 4 -9.255 -33.963 16.554 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.962 -32.717 17.399 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.388 -34.218 16.701 1.00 0.00 H new ATOM 37 N SER A 5 -7.816 -31.668 15.258 1.00 0.00 N ATOM 38 CA SER A 5 -8.016 -30.979 13.994 1.00 0.00 C ATOM 39 C SER A 5 -7.951 -29.465 14.207 1.00 0.00 C ATOM 40 O SER A 5 -8.935 -28.849 14.613 1.00 0.00 O ATOM 41 CB SER A 5 -9.352 -31.368 13.360 1.00 0.00 C ATOM 42 OG SER A 5 -9.177 -32.173 12.197 1.00 0.00 O ATOM 0 H SER A 5 -8.040 -31.115 16.085 1.00 0.00 H new ATOM 0 HA SER A 5 -7.220 -31.278 13.312 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.955 -31.910 14.089 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.905 -30.466 13.097 1.00 0.00 H new ATOM 0 HG SER A 5 -10.053 -32.402 11.823 1.00 0.00 H new ATOM 48 N SER A 6 -6.782 -28.909 13.925 1.00 0.00 N ATOM 49 CA SER A 6 -6.575 -27.480 14.080 1.00 0.00 C ATOM 50 C SER A 6 -6.685 -27.093 15.557 1.00 0.00 C ATOM 51 O SER A 6 -7.615 -27.511 16.244 1.00 0.00 O ATOM 52 CB SER A 6 -7.582 -26.684 13.247 1.00 0.00 C ATOM 53 OG SER A 6 -6.996 -26.163 12.057 1.00 0.00 O ATOM 0 H SER A 6 -5.968 -29.424 13.590 1.00 0.00 H new ATOM 0 HA SER A 6 -5.575 -27.238 13.720 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.424 -27.325 12.986 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.979 -25.864 13.845 1.00 0.00 H new ATOM 0 HG SER A 6 -7.671 -25.663 11.552 1.00 0.00 H new ATOM 59 N GLY A 7 -5.722 -26.298 16.000 1.00 0.00 N ATOM 60 CA GLY A 7 -5.699 -25.850 17.382 1.00 0.00 C ATOM 61 C GLY A 7 -5.180 -24.415 17.485 1.00 0.00 C ATOM 62 O GLY A 7 -4.180 -24.158 18.154 1.00 0.00 O ATOM 0 H GLY A 7 -4.952 -25.953 15.427 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.702 -25.909 17.804 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.066 -26.513 17.972 1.00 0.00 H new ATOM 66 N VAL A 8 -5.883 -23.516 16.812 1.00 0.00 N ATOM 67 CA VAL A 8 -5.506 -22.113 16.818 1.00 0.00 C ATOM 68 C VAL A 8 -6.682 -21.276 17.327 1.00 0.00 C ATOM 69 O VAL A 8 -7.782 -21.349 16.783 1.00 0.00 O ATOM 70 CB VAL A 8 -5.031 -21.692 15.426 1.00 0.00 C ATOM 71 CG1 VAL A 8 -4.830 -20.177 15.351 1.00 0.00 C ATOM 72 CG2 VAL A 8 -3.753 -22.435 15.035 1.00 0.00 C ATOM 0 H VAL A 8 -6.712 -23.732 16.259 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.669 -21.945 17.496 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.807 -21.963 14.710 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.492 -19.904 14.351 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.773 -19.674 15.566 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.082 -19.873 16.083 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.437 -22.117 14.041 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.966 -22.210 15.755 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.943 -23.508 15.029 1.00 0.00 H new ATOM 82 N VAL A 9 -6.409 -20.500 18.366 1.00 0.00 N ATOM 83 CA VAL A 9 -7.430 -19.650 18.954 1.00 0.00 C ATOM 84 C VAL A 9 -6.883 -18.229 19.100 1.00 0.00 C ATOM 85 O VAL A 9 -5.871 -18.014 19.765 1.00 0.00 O ATOM 86 CB VAL A 9 -7.906 -20.246 20.280 1.00 0.00 C ATOM 87 CG1 VAL A 9 -6.791 -20.216 21.327 1.00 0.00 C ATOM 88 CG2 VAL A 9 -9.156 -19.524 20.789 1.00 0.00 C ATOM 0 H VAL A 9 -5.495 -20.442 18.816 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.303 -19.597 18.304 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.170 -21.288 20.102 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.156 -20.645 22.260 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.940 -20.796 20.969 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.481 -19.185 21.499 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.473 -19.967 21.733 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.930 -18.469 20.942 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.956 -19.621 20.055 1.00 0.00 H new ATOM 98 N ALA A 10 -7.576 -17.294 18.467 1.00 0.00 N ATOM 99 CA ALA A 10 -7.172 -15.899 18.518 1.00 0.00 C ATOM 100 C ALA A 10 -8.370 -15.040 18.928 1.00 0.00 C ATOM 101 O ALA A 10 -9.435 -15.122 18.318 1.00 0.00 O ATOM 102 CB ALA A 10 -6.595 -15.485 17.163 1.00 0.00 C ATOM 0 H ALA A 10 -8.415 -17.475 17.916 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.391 -15.753 19.264 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.292 -14.439 17.201 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.729 -16.105 16.931 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.352 -15.616 16.390 1.00 0.00 H new ATOM 108 N PRO A 11 -8.150 -14.215 19.987 1.00 0.00 N ATOM 109 CA PRO A 11 -9.199 -13.343 20.486 1.00 0.00 C ATOM 110 C PRO A 11 -9.408 -12.147 19.554 1.00 0.00 C ATOM 111 O PRO A 11 -8.859 -11.071 19.786 1.00 0.00 O ATOM 112 CB PRO A 11 -8.744 -12.937 21.878 1.00 0.00 C ATOM 113 CG PRO A 11 -7.251 -13.218 21.927 1.00 0.00 C ATOM 114 CD PRO A 11 -6.902 -14.092 20.734 1.00 0.00 C ATOM 0 HA PRO A 11 -10.171 -13.835 20.526 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.949 -11.883 22.064 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.274 -13.505 22.643 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.686 -12.286 21.896 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.987 -13.720 22.858 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.120 -13.638 20.126 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.533 -15.067 21.052 1.00 0.00 H new ATOM 122 N ILE A 12 -10.203 -12.377 18.519 1.00 0.00 N ATOM 123 CA ILE A 12 -10.491 -11.333 17.550 1.00 0.00 C ATOM 124 C ILE A 12 -11.921 -10.831 17.758 1.00 0.00 C ATOM 125 O ILE A 12 -12.881 -11.540 17.461 1.00 0.00 O ATOM 126 CB ILE A 12 -10.213 -11.828 16.130 1.00 0.00 C ATOM 127 CG1 ILE A 12 -10.546 -13.315 15.992 1.00 0.00 C ATOM 128 CG2 ILE A 12 -8.772 -11.523 15.714 1.00 0.00 C ATOM 129 CD1 ILE A 12 -10.723 -13.704 14.523 1.00 0.00 C ATOM 0 H ILE A 12 -10.657 -13.271 18.330 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.829 -10.481 17.700 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.867 -11.286 15.447 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.750 -13.912 16.436 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -11.459 -13.539 16.544 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.601 -11.886 14.700 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.604 -10.447 15.747 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.083 -12.019 16.398 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.959 -14.766 14.454 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -11.536 -13.123 14.088 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.800 -13.501 13.979 1.00 0.00 H new ATOM 141 N THR A 13 -12.018 -9.611 18.267 1.00 0.00 N ATOM 142 CA THR A 13 -13.315 -9.006 18.518 1.00 0.00 C ATOM 143 C THR A 13 -13.514 -7.781 17.623 1.00 0.00 C ATOM 144 O THR A 13 -12.872 -6.751 17.823 1.00 0.00 O ATOM 145 CB THR A 13 -13.408 -8.690 20.012 1.00 0.00 C ATOM 146 OG1 THR A 13 -12.515 -7.593 20.190 1.00 0.00 O ATOM 147 CG2 THR A 13 -12.816 -9.799 20.883 1.00 0.00 C ATOM 0 H THR A 13 -11.220 -9.026 18.512 1.00 0.00 H new ATOM 0 HA THR A 13 -14.126 -9.689 18.265 1.00 0.00 H new ATOM 0 HB THR A 13 -14.451 -8.532 20.286 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.206 -7.277 19.315 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.908 -9.524 21.934 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.354 -10.730 20.703 1.00 0.00 H new ATOM 0 HG23 THR A 13 -11.764 -9.935 20.634 1.00 0.00 H new ATOM 155 N THR A 14 -14.406 -7.933 16.656 1.00 0.00 N ATOM 156 CA THR A 14 -14.698 -6.852 15.730 1.00 0.00 C ATOM 157 C THR A 14 -13.415 -6.104 15.362 1.00 0.00 C ATOM 158 O THR A 14 -13.450 -4.908 15.077 1.00 0.00 O ATOM 159 CB THR A 14 -15.762 -5.957 16.368 1.00 0.00 C ATOM 160 OG1 THR A 14 -15.010 -4.988 17.094 1.00 0.00 O ATOM 161 CG2 THR A 14 -16.570 -6.684 17.445 1.00 0.00 C ATOM 0 H THR A 14 -14.937 -8.789 16.493 1.00 0.00 H new ATOM 0 HA THR A 14 -15.096 -7.233 14.789 1.00 0.00 H new ATOM 0 HB THR A 14 -16.437 -5.588 15.595 1.00 0.00 H new ATOM 0 HG1 THR A 14 -14.514 -4.422 16.467 1.00 0.00 H new ATOM 0 HG21 THR A 14 -17.311 -6.004 17.865 1.00 0.00 H new ATOM 0 HG22 THR A 14 -17.075 -7.543 17.003 1.00 0.00 H new ATOM 0 HG23 THR A 14 -15.900 -7.024 18.235 1.00 0.00 H new ATOM 169 N GLY A 15 -12.313 -6.839 15.381 1.00 0.00 N ATOM 170 CA GLY A 15 -11.021 -6.260 15.053 1.00 0.00 C ATOM 171 C GLY A 15 -10.311 -7.081 13.975 1.00 0.00 C ATOM 172 O GLY A 15 -9.846 -8.189 14.238 1.00 0.00 O ATOM 0 H GLY A 15 -12.288 -7.831 15.618 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -11.155 -5.236 14.706 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.401 -6.215 15.948 1.00 0.00 H new ATOM 176 N TYR A 16 -10.248 -6.504 12.783 1.00 0.00 N ATOM 177 CA TYR A 16 -9.602 -7.168 11.664 1.00 0.00 C ATOM 178 C TYR A 16 -9.416 -6.206 10.489 1.00 0.00 C ATOM 179 O TYR A 16 -10.180 -5.254 10.335 1.00 0.00 O ATOM 180 CB TYR A 16 -10.546 -8.295 11.240 1.00 0.00 C ATOM 181 CG TYR A 16 -11.624 -7.863 10.245 1.00 0.00 C ATOM 182 CD1 TYR A 16 -11.277 -7.533 8.950 1.00 0.00 C ATOM 183 CD2 TYR A 16 -12.945 -7.802 10.641 1.00 0.00 C ATOM 184 CE1 TYR A 16 -12.292 -7.126 8.014 1.00 0.00 C ATOM 185 CE2 TYR A 16 -13.960 -7.395 9.704 1.00 0.00 C ATOM 186 CZ TYR A 16 -13.583 -7.077 8.437 1.00 0.00 C ATOM 187 OH TYR A 16 -14.542 -6.693 7.552 1.00 0.00 O ATOM 0 H TYR A 16 -10.634 -5.584 12.569 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.617 -7.534 11.952 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -9.959 -9.099 10.797 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -11.028 -8.704 12.128 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.244 -7.580 8.639 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -13.217 -8.060 11.654 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -12.034 -6.865 6.998 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -14.997 -7.344 10.001 1.00 0.00 H new ATOM 0 HH TYR A 16 -15.417 -6.706 7.992 1.00 0.00 H new ATOM 197 N THR A 17 -8.398 -6.487 9.690 1.00 0.00 N ATOM 198 CA THR A 17 -8.102 -5.659 8.534 1.00 0.00 C ATOM 199 C THR A 17 -7.976 -6.522 7.277 1.00 0.00 C ATOM 200 O THR A 17 -7.525 -7.665 7.347 1.00 0.00 O ATOM 201 CB THR A 17 -6.842 -4.848 8.843 1.00 0.00 C ATOM 202 OG1 THR A 17 -6.780 -4.832 10.266 1.00 0.00 O ATOM 203 CG2 THR A 17 -6.986 -3.374 8.460 1.00 0.00 C ATOM 0 H THR A 17 -7.767 -7.278 9.821 1.00 0.00 H new ATOM 0 HA THR A 17 -8.914 -4.961 8.330 1.00 0.00 H new ATOM 0 HB THR A 17 -5.993 -5.280 8.312 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.991 -4.328 10.553 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.064 -2.844 8.700 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.183 -3.293 7.391 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.813 -2.933 9.016 1.00 0.00 H new ATOM 211 N VAL A 18 -8.381 -5.943 6.157 1.00 0.00 N ATOM 212 CA VAL A 18 -8.319 -6.645 4.886 1.00 0.00 C ATOM 213 C VAL A 18 -6.871 -6.668 4.391 1.00 0.00 C ATOM 214 O VAL A 18 -6.074 -5.805 4.755 1.00 0.00 O ATOM 215 CB VAL A 18 -9.283 -6.004 3.886 1.00 0.00 C ATOM 216 CG1 VAL A 18 -9.038 -6.534 2.472 1.00 0.00 C ATOM 217 CG2 VAL A 18 -10.737 -6.221 4.309 1.00 0.00 C ATOM 0 H VAL A 18 -8.754 -4.995 6.103 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.638 -7.680 5.006 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.094 -4.931 3.879 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.736 -6.062 1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.016 -6.304 2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.186 -7.614 2.457 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.401 -5.755 3.581 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.946 -7.290 4.359 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.902 -5.773 5.289 1.00 0.00 H new ATOM 227 N LYS A 19 -6.576 -7.664 3.569 1.00 0.00 N ATOM 228 CA LYS A 19 -5.239 -7.811 3.020 1.00 0.00 C ATOM 229 C LYS A 19 -5.249 -7.400 1.546 1.00 0.00 C ATOM 230 O LYS A 19 -6.003 -7.955 0.749 1.00 0.00 O ATOM 231 CB LYS A 19 -4.713 -9.227 3.260 1.00 0.00 C ATOM 232 CG LYS A 19 -5.120 -10.163 2.120 1.00 0.00 C ATOM 233 CD LYS A 19 -5.129 -11.621 2.585 1.00 0.00 C ATOM 234 CE LYS A 19 -5.708 -12.537 1.505 1.00 0.00 C ATOM 235 NZ LYS A 19 -6.825 -13.340 2.051 1.00 0.00 N ATOM 0 H LYS A 19 -7.241 -8.378 3.270 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.543 -7.147 3.532 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.627 -9.205 3.348 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.101 -9.608 4.205 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.109 -9.888 1.754 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.428 -10.048 1.285 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.114 -11.935 2.828 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.718 -11.712 3.498 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.059 -11.940 0.663 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.929 -13.198 1.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.207 -13.956 1.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.480 -13.924 2.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.575 -12.705 2.393 1.00 0.00 H new ATOM 249 N ILE A 20 -4.403 -6.430 1.229 1.00 0.00 N ATOM 250 CA ILE A 20 -4.305 -5.939 -0.134 1.00 0.00 C ATOM 251 C ILE A 20 -3.349 -6.832 -0.927 1.00 0.00 C ATOM 252 O ILE A 20 -2.140 -6.604 -0.930 1.00 0.00 O ATOM 253 CB ILE A 20 -3.915 -4.459 -0.144 1.00 0.00 C ATOM 254 CG1 ILE A 20 -4.804 -3.652 0.804 1.00 0.00 C ATOM 255 CG2 ILE A 20 -3.934 -3.897 -1.567 1.00 0.00 C ATOM 256 CD1 ILE A 20 -4.397 -2.177 0.814 1.00 0.00 C ATOM 0 H ILE A 20 -3.780 -5.971 1.893 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.275 -5.993 -0.628 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.892 -4.372 0.222 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.846 -3.743 0.497 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.731 -4.060 1.812 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.653 -2.844 -1.546 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.226 -4.449 -2.186 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.936 -3.997 -1.984 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.044 -1.626 1.496 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.362 -2.087 1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.494 -1.766 -0.191 1.00 0.00 H new ATOM 268 N SER A 21 -3.926 -7.831 -1.578 1.00 0.00 N ATOM 269 CA SER A 21 -3.140 -8.760 -2.373 1.00 0.00 C ATOM 270 C SER A 21 -2.791 -8.129 -3.722 1.00 0.00 C ATOM 271 O SER A 21 -1.617 -7.934 -4.035 1.00 0.00 O ATOM 272 CB SER A 21 -3.889 -10.078 -2.580 1.00 0.00 C ATOM 273 OG SER A 21 -4.030 -10.809 -1.365 1.00 0.00 O ATOM 0 H SER A 21 -4.929 -8.018 -1.571 1.00 0.00 H new ATOM 0 HA SER A 21 -2.219 -8.978 -1.833 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.875 -9.873 -2.996 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.356 -10.687 -3.310 1.00 0.00 H new ATOM 0 HG SER A 21 -4.515 -11.643 -1.539 1.00 0.00 H new ATOM 279 N ASN A 22 -3.831 -7.828 -4.485 1.00 0.00 N ATOM 280 CA ASN A 22 -3.649 -7.223 -5.794 1.00 0.00 C ATOM 281 C ASN A 22 -3.444 -5.716 -5.630 1.00 0.00 C ATOM 282 O ASN A 22 -4.314 -5.021 -5.108 1.00 0.00 O ATOM 283 CB ASN A 22 -4.880 -7.440 -6.677 1.00 0.00 C ATOM 284 CG ASN A 22 -4.501 -8.143 -7.982 1.00 0.00 C ATOM 285 OD1 ASN A 22 -3.518 -7.819 -8.629 1.00 0.00 O ATOM 286 ND2 ASN A 22 -5.333 -9.119 -8.332 1.00 0.00 N ATOM 0 H ASN A 22 -4.803 -7.992 -4.222 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.782 -7.688 -6.263 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.617 -8.036 -6.139 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.347 -6.480 -6.899 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.167 -9.648 -9.188 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.137 -9.339 -7.744 1.00 0.00 H new ATOM 293 N TYR A 23 -2.289 -5.255 -6.087 1.00 0.00 N ATOM 294 CA TYR A 23 -1.959 -3.843 -5.999 1.00 0.00 C ATOM 295 C TYR A 23 -1.047 -3.419 -7.152 1.00 0.00 C ATOM 296 O TYR A 23 -0.085 -4.114 -7.475 1.00 0.00 O ATOM 297 CB TYR A 23 -1.206 -3.668 -4.678 1.00 0.00 C ATOM 298 CG TYR A 23 -0.079 -4.681 -4.466 1.00 0.00 C ATOM 299 CD1 TYR A 23 1.130 -4.513 -5.110 1.00 0.00 C ATOM 300 CD2 TYR A 23 -0.272 -5.763 -3.631 1.00 0.00 C ATOM 301 CE1 TYR A 23 2.191 -5.466 -4.910 1.00 0.00 C ATOM 302 CE2 TYR A 23 0.789 -6.716 -3.431 1.00 0.00 C ATOM 303 CZ TYR A 23 1.968 -6.521 -4.081 1.00 0.00 C ATOM 304 OH TYR A 23 2.969 -7.421 -3.892 1.00 0.00 O ATOM 0 H TYR A 23 -1.570 -5.835 -6.520 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.862 -3.234 -6.050 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.788 -2.662 -4.640 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.915 -3.750 -3.854 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.280 -3.667 -5.764 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.218 -5.895 -3.128 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.142 -5.346 -5.407 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.652 -7.566 -2.780 1.00 0.00 H new ATOM 0 HH TYR A 23 2.668 -8.120 -3.275 1.00 0.00 H new ATOM 314 N GLY A 24 -1.382 -2.280 -7.741 1.00 0.00 N ATOM 315 CA GLY A 24 -0.606 -1.756 -8.852 1.00 0.00 C ATOM 316 C GLY A 24 0.654 -1.047 -8.353 1.00 0.00 C ATOM 317 O GLY A 24 0.614 -0.329 -7.354 1.00 0.00 O ATOM 0 H GLY A 24 -2.180 -1.706 -7.470 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.329 -2.569 -9.522 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.215 -1.060 -9.430 1.00 0.00 H new ATOM 321 N TRP A 25 1.745 -1.272 -9.071 1.00 0.00 N ATOM 322 CA TRP A 25 3.015 -0.663 -8.714 1.00 0.00 C ATOM 323 C TRP A 25 3.776 -0.364 -10.007 1.00 0.00 C ATOM 324 O TRP A 25 3.518 -0.979 -11.040 1.00 0.00 O ATOM 325 CB TRP A 25 3.800 -1.557 -7.751 1.00 0.00 C ATOM 326 CG TRP A 25 4.389 -2.809 -8.404 1.00 0.00 C ATOM 327 CD1 TRP A 25 3.772 -3.968 -8.671 1.00 0.00 C ATOM 328 CD2 TRP A 25 5.745 -2.981 -8.866 1.00 0.00 C ATOM 329 NE1 TRP A 25 4.628 -4.871 -9.267 1.00 0.00 N ATOM 330 CE2 TRP A 25 5.866 -4.252 -9.390 1.00 0.00 C ATOM 331 CE3 TRP A 25 6.834 -2.092 -8.841 1.00 0.00 C ATOM 332 CZ2 TRP A 25 7.059 -4.749 -9.929 1.00 0.00 C ATOM 333 CZ3 TRP A 25 8.019 -2.604 -9.383 1.00 0.00 C ATOM 334 CH2 TRP A 25 8.157 -3.881 -9.915 1.00 0.00 C ATOM 0 H TRP A 25 1.775 -1.868 -9.898 1.00 0.00 H new ATOM 0 HA TRP A 25 2.857 0.273 -8.179 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.609 -0.975 -7.309 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.143 -1.860 -6.936 1.00 0.00 H new ATOM 0 HD1 TRP A 25 2.735 -4.170 -8.448 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.395 -5.819 -9.563 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.762 -1.093 -8.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.128 -5.748 -10.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 8.887 -1.962 -9.388 1.00 0.00 H new ATOM 0 HH2 TRP A 25 9.107 -4.202 -10.316 1.00 0.00 H new ATOM 345 N ASP A 26 4.700 0.581 -9.907 1.00 0.00 N ATOM 346 CA ASP A 26 5.500 0.969 -11.056 1.00 0.00 C ATOM 347 C ASP A 26 6.786 1.642 -10.572 1.00 0.00 C ATOM 348 O ASP A 26 6.952 1.887 -9.378 1.00 0.00 O ATOM 349 CB ASP A 26 4.748 1.967 -11.939 1.00 0.00 C ATOM 350 CG ASP A 26 5.402 2.254 -13.292 1.00 0.00 C ATOM 351 OD1 ASP A 26 5.116 1.484 -14.235 1.00 0.00 O ATOM 352 OD2 ASP A 26 6.174 3.235 -13.353 1.00 0.00 O ATOM 0 H ASP A 26 4.912 1.089 -9.048 1.00 0.00 H new ATOM 0 HA ASP A 26 5.719 0.071 -11.633 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.741 1.589 -12.112 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.647 2.906 -11.395 1.00 0.00 H new ATOM 357 N GLN A 27 7.664 1.922 -11.524 1.00 0.00 N ATOM 358 CA GLN A 27 8.930 2.562 -11.210 1.00 0.00 C ATOM 359 C GLN A 27 9.417 3.390 -12.401 1.00 0.00 C ATOM 360 O GLN A 27 9.188 3.021 -13.552 1.00 0.00 O ATOM 361 CB GLN A 27 9.979 1.528 -10.796 1.00 0.00 C ATOM 362 CG GLN A 27 10.319 0.595 -11.961 1.00 0.00 C ATOM 363 CD GLN A 27 9.328 -0.568 -12.038 1.00 0.00 C ATOM 364 OE1 GLN A 27 8.302 -0.589 -11.378 1.00 0.00 O ATOM 365 NE2 GLN A 27 9.690 -1.532 -12.880 1.00 0.00 N ATOM 0 H GLN A 27 7.523 1.717 -12.513 1.00 0.00 H new ATOM 0 HA GLN A 27 8.775 3.233 -10.365 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.882 2.036 -10.457 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.607 0.944 -9.954 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.302 1.154 -12.896 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.331 0.208 -11.839 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.562 -1.452 -13.402 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.095 -2.351 -13.003 1.00 0.00 H new ATOM 374 N SER A 28 10.079 4.493 -12.084 1.00 0.00 N ATOM 375 CA SER A 28 10.599 5.376 -13.113 1.00 0.00 C ATOM 376 C SER A 28 11.986 5.885 -12.714 1.00 0.00 C ATOM 377 O SER A 28 12.312 5.945 -11.530 1.00 0.00 O ATOM 378 CB SER A 28 9.653 6.552 -13.360 1.00 0.00 C ATOM 379 OG SER A 28 8.837 6.349 -14.510 1.00 0.00 O ATOM 0 H SER A 28 10.267 4.795 -11.128 1.00 0.00 H new ATOM 0 HA SER A 28 10.680 4.809 -14.041 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.018 6.696 -12.486 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.235 7.465 -13.485 1.00 0.00 H new ATOM 0 HG SER A 28 8.246 7.121 -14.632 1.00 0.00 H new ATOM 385 N ASP A 29 12.765 6.238 -13.726 1.00 0.00 N ATOM 386 CA ASP A 29 14.109 6.739 -13.495 1.00 0.00 C ATOM 387 C ASP A 29 14.032 8.053 -12.715 1.00 0.00 C ATOM 388 O ASP A 29 14.145 9.131 -13.295 1.00 0.00 O ATOM 389 CB ASP A 29 14.828 7.017 -14.817 1.00 0.00 C ATOM 390 CG ASP A 29 14.730 5.896 -15.854 1.00 0.00 C ATOM 391 OD1 ASP A 29 13.762 5.936 -16.644 1.00 0.00 O ATOM 392 OD2 ASP A 29 15.626 5.024 -15.834 1.00 0.00 O ATOM 0 H ASP A 29 12.491 6.187 -14.707 1.00 0.00 H new ATOM 0 HA ASP A 29 14.659 5.982 -12.937 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.419 7.930 -15.251 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.881 7.207 -14.608 1.00 0.00 H new ATOM 397 N LYS A 30 13.840 7.918 -11.411 1.00 0.00 N ATOM 398 CA LYS A 30 13.746 9.081 -10.544 1.00 0.00 C ATOM 399 C LYS A 30 13.224 8.649 -9.173 1.00 0.00 C ATOM 400 O LYS A 30 13.872 8.886 -8.155 1.00 0.00 O ATOM 401 CB LYS A 30 12.905 10.175 -11.205 1.00 0.00 C ATOM 402 CG LYS A 30 13.784 11.342 -11.662 1.00 0.00 C ATOM 403 CD LYS A 30 13.051 12.213 -12.684 1.00 0.00 C ATOM 404 CE LYS A 30 13.361 11.761 -14.112 1.00 0.00 C ATOM 405 NZ LYS A 30 13.363 12.919 -15.034 1.00 0.00 N ATOM 0 H LYS A 30 13.747 7.021 -10.934 1.00 0.00 H new ATOM 0 HA LYS A 30 14.731 9.519 -10.387 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.371 9.761 -12.060 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.153 10.535 -10.503 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.068 11.947 -10.801 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.705 10.958 -12.100 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.977 12.161 -12.507 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.345 13.255 -12.557 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.331 11.265 -14.140 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.620 11.031 -14.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.575 12.594 -15.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.429 13.376 -15.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.087 13.602 -14.732 1.00 0.00 H new ATOM 419 N PHE A 31 12.057 8.022 -9.190 1.00 0.00 N ATOM 420 CA PHE A 31 11.440 7.555 -7.960 1.00 0.00 C ATOM 421 C PHE A 31 10.483 6.393 -8.233 1.00 0.00 C ATOM 422 O PHE A 31 10.144 6.121 -9.384 1.00 0.00 O ATOM 423 CB PHE A 31 10.647 8.729 -7.382 1.00 0.00 C ATOM 424 CG PHE A 31 11.450 10.027 -7.271 1.00 0.00 C ATOM 425 CD1 PHE A 31 12.495 10.107 -6.404 1.00 0.00 C ATOM 426 CD2 PHE A 31 11.118 11.100 -8.037 1.00 0.00 C ATOM 427 CE1 PHE A 31 13.240 11.312 -6.301 1.00 0.00 C ATOM 428 CE2 PHE A 31 11.863 12.304 -7.934 1.00 0.00 C ATOM 429 CZ PHE A 31 12.908 12.385 -7.067 1.00 0.00 C ATOM 0 H PHE A 31 11.522 7.826 -10.036 1.00 0.00 H new ATOM 0 HA PHE A 31 12.207 7.204 -7.270 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.773 8.907 -8.008 1.00 0.00 H new ATOM 0 HB3 PHE A 31 10.280 8.455 -6.393 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.758 9.255 -5.794 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.287 11.036 -8.724 1.00 0.00 H new ATOM 0 HE1 PHE A 31 14.071 11.376 -5.614 1.00 0.00 H new ATOM 0 HE2 PHE A 31 11.600 13.156 -8.544 1.00 0.00 H new ATOM 0 HZ PHE A 31 13.474 13.301 -6.987 1.00 0.00 H new ATOM 439 N VAL A 32 10.072 5.740 -7.156 1.00 0.00 N ATOM 440 CA VAL A 32 9.160 4.614 -7.265 1.00 0.00 C ATOM 441 C VAL A 32 7.875 4.928 -6.496 1.00 0.00 C ATOM 442 O VAL A 32 7.918 5.551 -5.437 1.00 0.00 O ATOM 443 CB VAL A 32 9.848 3.335 -6.784 1.00 0.00 C ATOM 444 CG1 VAL A 32 8.835 2.202 -6.607 1.00 0.00 C ATOM 445 CG2 VAL A 32 10.970 2.923 -7.739 1.00 0.00 C ATOM 0 H VAL A 32 10.354 5.969 -6.203 1.00 0.00 H new ATOM 0 HA VAL A 32 8.883 4.446 -8.306 1.00 0.00 H new ATOM 0 HB VAL A 32 10.295 3.540 -5.811 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.349 1.304 -6.265 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.087 2.495 -5.870 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.346 1.999 -7.560 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.442 2.011 -7.374 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.556 2.745 -8.731 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.712 3.719 -7.793 1.00 0.00 H new ATOM 455 N LYS A 33 6.762 4.482 -7.060 1.00 0.00 N ATOM 456 CA LYS A 33 5.467 4.707 -6.440 1.00 0.00 C ATOM 457 C LYS A 33 4.554 3.515 -6.731 1.00 0.00 C ATOM 458 O LYS A 33 4.759 2.794 -7.706 1.00 0.00 O ATOM 459 CB LYS A 33 4.887 6.050 -6.886 1.00 0.00 C ATOM 460 CG LYS A 33 4.396 5.982 -8.334 1.00 0.00 C ATOM 461 CD LYS A 33 4.776 7.250 -9.102 1.00 0.00 C ATOM 462 CE LYS A 33 3.749 8.360 -8.868 1.00 0.00 C ATOM 463 NZ LYS A 33 4.304 9.672 -9.268 1.00 0.00 N ATOM 0 H LYS A 33 6.730 3.966 -7.939 1.00 0.00 H new ATOM 0 HA LYS A 33 5.568 4.774 -5.357 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.062 6.329 -6.231 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.646 6.827 -6.792 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.827 5.111 -8.827 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.314 5.854 -8.349 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.762 7.589 -8.786 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.841 7.029 -10.167 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.844 8.152 -9.439 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.464 8.384 -7.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.594 10.414 -9.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.155 9.875 -8.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.553 9.650 -10.277 1.00 0.00 H new ATOM 477 N ILE A 34 3.563 3.345 -5.868 1.00 0.00 N ATOM 478 CA ILE A 34 2.617 2.252 -6.019 1.00 0.00 C ATOM 479 C ILE A 34 1.193 2.810 -5.995 1.00 0.00 C ATOM 480 O ILE A 34 0.900 3.744 -5.250 1.00 0.00 O ATOM 481 CB ILE A 34 2.872 1.172 -4.967 1.00 0.00 C ATOM 482 CG1 ILE A 34 4.280 0.590 -5.109 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.795 0.087 -5.022 1.00 0.00 C ATOM 484 CD1 ILE A 34 5.217 1.154 -4.039 1.00 0.00 C ATOM 0 H ILE A 34 3.395 3.946 -5.061 1.00 0.00 H new ATOM 0 HA ILE A 34 2.752 1.762 -6.983 1.00 0.00 H new ATOM 0 HB ILE A 34 2.812 1.634 -3.982 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.239 -0.496 -5.025 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.674 0.819 -6.099 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.000 -0.668 -4.264 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.819 0.534 -4.834 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.797 -0.378 -6.008 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.211 0.724 -4.163 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.275 2.238 -4.141 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.833 0.903 -3.050 1.00 0.00 H new ATOM 496 N TYR A 35 0.344 2.215 -6.820 1.00 0.00 N ATOM 497 CA TYR A 35 -1.043 2.640 -6.903 1.00 0.00 C ATOM 498 C TYR A 35 -1.990 1.497 -6.534 1.00 0.00 C ATOM 499 O TYR A 35 -2.126 0.532 -7.284 1.00 0.00 O ATOM 500 CB TYR A 35 -1.278 3.030 -8.364 1.00 0.00 C ATOM 501 CG TYR A 35 -0.086 3.730 -9.020 1.00 0.00 C ATOM 502 CD1 TYR A 35 0.044 5.101 -8.930 1.00 0.00 C ATOM 503 CD2 TYR A 35 0.857 2.991 -9.704 1.00 0.00 C ATOM 504 CE1 TYR A 35 1.166 5.760 -9.548 1.00 0.00 C ATOM 505 CE2 TYR A 35 1.979 3.649 -10.322 1.00 0.00 C ATOM 506 CZ TYR A 35 2.078 5.001 -10.213 1.00 0.00 C ATOM 507 OH TYR A 35 3.137 5.624 -10.797 1.00 0.00 O ATOM 0 H TYR A 35 0.590 1.441 -7.437 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.234 3.463 -6.215 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.519 2.133 -8.935 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.147 3.686 -8.419 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.695 5.680 -8.396 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.754 1.918 -9.776 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.280 6.832 -9.485 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.725 3.082 -10.860 1.00 0.00 H new ATOM 0 HH TYR A 35 3.707 4.958 -11.235 1.00 0.00 H new ATOM 517 N ILE A 36 -2.621 1.644 -5.378 1.00 0.00 N ATOM 518 CA ILE A 36 -3.551 0.635 -4.900 1.00 0.00 C ATOM 519 C ILE A 36 -4.976 1.188 -4.972 1.00 0.00 C ATOM 520 O ILE A 36 -5.188 2.390 -4.824 1.00 0.00 O ATOM 521 CB ILE A 36 -3.149 0.153 -3.505 1.00 0.00 C ATOM 522 CG1 ILE A 36 -1.762 -0.492 -3.526 1.00 0.00 C ATOM 523 CG2 ILE A 36 -4.208 -0.785 -2.922 1.00 0.00 C ATOM 524 CD1 ILE A 36 -0.758 0.339 -2.726 1.00 0.00 C ATOM 0 H ILE A 36 -2.506 2.446 -4.759 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.517 -0.248 -5.539 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.091 1.021 -2.848 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.819 -1.498 -3.111 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.419 -0.591 -4.556 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.897 -1.113 -1.930 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.160 -0.259 -2.849 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.323 -1.653 -3.572 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.220 -0.142 -2.757 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.685 1.337 -3.158 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.092 0.415 -1.691 1.00 0.00 H new ATOM 536 N THR A 37 -5.917 0.283 -5.200 1.00 0.00 N ATOM 537 CA THR A 37 -7.315 0.664 -5.295 1.00 0.00 C ATOM 538 C THR A 37 -8.003 0.511 -3.936 1.00 0.00 C ATOM 539 O THR A 37 -8.145 -0.601 -3.430 1.00 0.00 O ATOM 540 CB THR A 37 -7.961 -0.174 -6.400 1.00 0.00 C ATOM 541 OG1 THR A 37 -7.521 0.444 -7.606 1.00 0.00 O ATOM 542 CG2 THR A 37 -9.483 -0.022 -6.437 1.00 0.00 C ATOM 0 H THR A 37 -5.738 -0.714 -5.322 1.00 0.00 H new ATOM 0 HA THR A 37 -7.420 1.716 -5.562 1.00 0.00 H new ATOM 0 HB THR A 37 -7.705 -1.224 -6.256 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.892 -0.037 -8.375 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.891 -0.637 -7.239 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.904 -0.342 -5.484 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.740 1.022 -6.615 1.00 0.00 H new ATOM 550 N LEU A 38 -8.410 1.644 -3.384 1.00 0.00 N ATOM 551 CA LEU A 38 -9.079 1.650 -2.094 1.00 0.00 C ATOM 552 C LEU A 38 -10.118 2.773 -2.068 1.00 0.00 C ATOM 553 O LEU A 38 -9.772 3.940 -1.894 1.00 0.00 O ATOM 554 CB LEU A 38 -8.055 1.734 -0.960 1.00 0.00 C ATOM 555 CG LEU A 38 -8.335 0.857 0.262 1.00 0.00 C ATOM 556 CD1 LEU A 38 -9.839 0.660 0.463 1.00 0.00 C ATOM 557 CD2 LEU A 38 -7.591 -0.476 0.162 1.00 0.00 C ATOM 0 H LEU A 38 -8.290 2.565 -3.806 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.616 0.714 -1.939 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.077 1.465 -1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.991 2.771 -0.631 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.957 1.372 1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.010 0.033 1.338 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.316 1.629 0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.264 0.178 -0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.807 -1.080 1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.916 -1.008 -0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.518 -0.291 0.104 1.00 0.00 H new ATOM 569 N THR A 39 -11.371 2.380 -2.245 1.00 0.00 N ATOM 570 CA THR A 39 -12.463 3.339 -2.244 1.00 0.00 C ATOM 571 C THR A 39 -12.768 3.799 -0.817 1.00 0.00 C ATOM 572 O THR A 39 -13.096 2.985 0.045 1.00 0.00 O ATOM 573 CB THR A 39 -13.661 2.692 -2.943 1.00 0.00 C ATOM 574 OG1 THR A 39 -13.369 2.830 -4.331 1.00 0.00 O ATOM 575 CG2 THR A 39 -14.952 3.491 -2.752 1.00 0.00 C ATOM 0 H THR A 39 -11.654 1.411 -2.390 1.00 0.00 H new ATOM 0 HA THR A 39 -12.197 4.242 -2.793 1.00 0.00 H new ATOM 0 HB THR A 39 -13.801 1.680 -2.562 1.00 0.00 H new ATOM 0 HG1 THR A 39 -14.094 2.435 -4.859 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.770 2.989 -3.268 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.182 3.562 -1.689 1.00 0.00 H new ATOM 0 HG23 THR A 39 -14.824 4.492 -3.163 1.00 0.00 H new ATOM 583 N GLY A 40 -12.648 5.102 -0.611 1.00 0.00 N ATOM 584 CA GLY A 40 -12.906 5.681 0.696 1.00 0.00 C ATOM 585 C GLY A 40 -11.613 6.187 1.337 1.00 0.00 C ATOM 586 O GLY A 40 -11.645 7.064 2.200 1.00 0.00 O ATOM 0 H GLY A 40 -12.375 5.774 -1.328 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.614 6.504 0.600 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.369 4.936 1.343 1.00 0.00 H new ATOM 590 N VAL A 41 -10.505 5.614 0.891 1.00 0.00 N ATOM 591 CA VAL A 41 -9.203 5.996 1.410 1.00 0.00 C ATOM 592 C VAL A 41 -9.003 7.501 1.216 1.00 0.00 C ATOM 593 O VAL A 41 -8.248 8.131 1.955 1.00 0.00 O ATOM 594 CB VAL A 41 -8.108 5.157 0.748 1.00 0.00 C ATOM 595 CG1 VAL A 41 -7.943 5.536 -0.725 1.00 0.00 C ATOM 596 CG2 VAL A 41 -6.783 5.292 1.501 1.00 0.00 C ATOM 0 H VAL A 41 -10.482 4.888 0.175 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.145 5.795 2.480 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.413 4.112 0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.159 4.925 -1.172 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.882 5.365 -1.252 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.671 6.589 -0.802 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.022 4.686 1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.470 6.336 1.502 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.912 4.950 2.528 1.00 0.00 H new ATOM 606 N HIS A 42 -9.693 8.033 0.217 1.00 0.00 N ATOM 607 CA HIS A 42 -9.600 9.451 -0.083 1.00 0.00 C ATOM 608 C HIS A 42 -10.573 10.229 0.806 1.00 0.00 C ATOM 609 O HIS A 42 -10.620 11.457 0.755 1.00 0.00 O ATOM 610 CB HIS A 42 -9.827 9.706 -1.575 1.00 0.00 C ATOM 611 CG HIS A 42 -11.239 9.435 -2.036 1.00 0.00 C ATOM 612 ND1 HIS A 42 -11.745 8.156 -2.190 1.00 0.00 N ATOM 613 CD2 HIS A 42 -12.246 10.291 -2.374 1.00 0.00 C ATOM 614 CE1 HIS A 42 -13.001 8.250 -2.603 1.00 0.00 C ATOM 615 NE2 HIS A 42 -13.309 9.574 -2.718 1.00 0.00 N ATOM 0 H HIS A 42 -10.318 7.507 -0.394 1.00 0.00 H new ATOM 0 HA HIS A 42 -8.594 9.808 0.139 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -9.575 10.743 -1.798 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -9.142 9.081 -2.148 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -12.188 11.369 -2.364 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -13.664 7.424 -2.812 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -14.208 9.951 -3.019 1.00 0.00 H new ATOM 623 N GLN A 43 -11.324 9.481 1.601 1.00 0.00 N ATOM 624 CA GLN A 43 -12.293 10.085 2.500 1.00 0.00 C ATOM 625 C GLN A 43 -11.809 9.982 3.948 1.00 0.00 C ATOM 626 O GLN A 43 -12.030 10.891 4.746 1.00 0.00 O ATOM 627 CB GLN A 43 -13.670 9.441 2.335 1.00 0.00 C ATOM 628 CG GLN A 43 -14.275 9.781 0.971 1.00 0.00 C ATOM 629 CD GLN A 43 -15.777 10.051 1.090 1.00 0.00 C ATOM 630 OE1 GLN A 43 -16.369 9.957 2.152 1.00 0.00 O ATOM 631 NE2 GLN A 43 -16.357 10.392 -0.058 1.00 0.00 N ATOM 0 H GLN A 43 -11.281 8.463 1.641 1.00 0.00 H new ATOM 0 HA GLN A 43 -12.389 11.140 2.244 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.584 8.359 2.439 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -14.334 9.786 3.128 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -13.776 10.657 0.556 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -14.104 8.958 0.278 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -15.802 10.452 -0.912 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.357 10.593 -0.084 1.00 0.00 H new ATOM 640 N VAL A 44 -11.158 8.866 4.243 1.00 0.00 N ATOM 641 CA VAL A 44 -10.641 8.633 5.580 1.00 0.00 C ATOM 642 C VAL A 44 -9.521 9.634 5.872 1.00 0.00 C ATOM 643 O VAL A 44 -8.868 10.125 4.953 1.00 0.00 O ATOM 644 CB VAL A 44 -10.193 7.176 5.721 1.00 0.00 C ATOM 645 CG1 VAL A 44 -11.349 6.217 5.431 1.00 0.00 C ATOM 646 CG2 VAL A 44 -8.995 6.882 4.816 1.00 0.00 C ATOM 0 H VAL A 44 -10.977 8.114 3.579 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.421 8.793 6.324 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.879 7.019 6.753 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -11.004 5.189 5.538 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -12.161 6.403 6.134 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.707 6.376 4.414 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.696 5.841 4.935 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.270 7.064 3.777 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.164 7.532 5.090 1.00 0.00 H new ATOM 656 N PRO A 45 -9.329 9.913 7.189 1.00 0.00 N ATOM 657 CA PRO A 45 -8.300 10.847 7.613 1.00 0.00 C ATOM 658 C PRO A 45 -6.910 10.215 7.508 1.00 0.00 C ATOM 659 O PRO A 45 -6.786 9.009 7.305 1.00 0.00 O ATOM 660 CB PRO A 45 -8.674 11.225 9.037 1.00 0.00 C ATOM 661 CG PRO A 45 -9.628 10.144 9.518 1.00 0.00 C ATOM 662 CD PRO A 45 -10.083 9.350 8.305 1.00 0.00 C ATOM 0 HA PRO A 45 -8.249 11.733 6.980 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.790 11.277 9.672 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.147 12.206 9.069 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.134 9.492 10.238 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.484 10.589 10.026 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.875 8.287 8.427 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.157 9.449 8.147 1.00 0.00 H new ATOM 670 N THR A 46 -5.899 11.060 7.652 1.00 0.00 N ATOM 671 CA THR A 46 -4.523 10.599 7.576 1.00 0.00 C ATOM 672 C THR A 46 -4.143 9.841 8.850 1.00 0.00 C ATOM 673 O THR A 46 -3.038 9.311 8.955 1.00 0.00 O ATOM 674 CB THR A 46 -3.633 11.813 7.304 1.00 0.00 C ATOM 675 OG1 THR A 46 -2.333 11.258 7.125 1.00 0.00 O ATOM 676 CG2 THR A 46 -3.486 12.719 8.528 1.00 0.00 C ATOM 0 H THR A 46 -6.005 12.060 7.821 1.00 0.00 H new ATOM 0 HA THR A 46 -4.388 9.889 6.760 1.00 0.00 H new ATOM 0 HB THR A 46 -4.048 12.387 6.476 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.287 10.383 7.564 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.845 13.565 8.280 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.467 13.084 8.830 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.041 12.154 9.347 1.00 0.00 H new ATOM 684 N GLU A 47 -5.080 9.815 9.786 1.00 0.00 N ATOM 685 CA GLU A 47 -4.858 9.130 11.048 1.00 0.00 C ATOM 686 C GLU A 47 -5.231 7.652 10.924 1.00 0.00 C ATOM 687 O GLU A 47 -4.665 6.805 11.613 1.00 0.00 O ATOM 688 CB GLU A 47 -5.640 9.800 12.180 1.00 0.00 C ATOM 689 CG GLU A 47 -7.136 9.498 12.066 1.00 0.00 C ATOM 690 CD GLU A 47 -7.856 9.790 13.384 1.00 0.00 C ATOM 691 OE1 GLU A 47 -7.901 10.983 13.754 1.00 0.00 O ATOM 692 OE2 GLU A 47 -8.346 8.813 13.992 1.00 0.00 O ATOM 0 H GLU A 47 -5.995 10.257 9.696 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.798 9.197 11.293 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.267 9.449 13.142 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.479 10.878 12.150 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.572 10.099 11.268 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.280 8.453 11.793 1.00 0.00 H new ATOM 699 N ASN A 48 -6.182 7.387 10.040 1.00 0.00 N ATOM 700 CA ASN A 48 -6.637 6.025 9.816 1.00 0.00 C ATOM 701 C ASN A 48 -5.666 5.316 8.870 1.00 0.00 C ATOM 702 O ASN A 48 -5.681 4.091 8.762 1.00 0.00 O ATOM 703 CB ASN A 48 -8.024 6.007 9.170 1.00 0.00 C ATOM 704 CG ASN A 48 -9.098 6.452 10.165 1.00 0.00 C ATOM 705 OD1 ASN A 48 -8.824 6.784 11.306 1.00 0.00 O ATOM 706 ND2 ASN A 48 -10.332 6.439 9.670 1.00 0.00 N ATOM 0 H ASN A 48 -6.650 8.092 9.471 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.682 5.522 10.782 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -8.033 6.665 8.301 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.249 5.003 8.811 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.119 6.718 10.255 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.491 6.150 8.705 1.00 0.00 H new ATOM 713 N VAL A 49 -4.843 6.117 8.208 1.00 0.00 N ATOM 714 CA VAL A 49 -3.867 5.582 7.275 1.00 0.00 C ATOM 715 C VAL A 49 -2.461 5.774 7.848 1.00 0.00 C ATOM 716 O VAL A 49 -1.989 6.903 7.977 1.00 0.00 O ATOM 717 CB VAL A 49 -4.046 6.230 5.901 1.00 0.00 C ATOM 718 CG1 VAL A 49 -3.039 5.669 4.895 1.00 0.00 C ATOM 719 CG2 VAL A 49 -5.480 6.056 5.396 1.00 0.00 C ATOM 0 H VAL A 49 -4.833 7.133 8.300 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.018 4.511 7.137 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.855 7.298 6.006 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.188 6.146 3.926 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.026 5.867 5.245 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.185 4.593 4.796 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.581 6.526 4.418 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.711 4.994 5.314 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.172 6.525 6.096 1.00 0.00 H new ATOM 729 N GLN A 50 -1.832 4.655 8.176 1.00 0.00 N ATOM 730 CA GLN A 50 -0.490 4.687 8.733 1.00 0.00 C ATOM 731 C GLN A 50 0.481 3.937 7.818 1.00 0.00 C ATOM 732 O GLN A 50 0.348 2.730 7.621 1.00 0.00 O ATOM 733 CB GLN A 50 -0.469 4.107 10.148 1.00 0.00 C ATOM 734 CG GLN A 50 -0.552 5.217 11.197 1.00 0.00 C ATOM 735 CD GLN A 50 -1.392 4.776 12.397 1.00 0.00 C ATOM 736 OE1 GLN A 50 -2.051 3.749 12.383 1.00 0.00 O ATOM 737 NE2 GLN A 50 -1.332 5.606 13.434 1.00 0.00 N ATOM 0 H GLN A 50 -2.227 3.721 8.067 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.169 5.727 8.798 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.304 3.419 10.275 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.444 3.530 10.295 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.451 5.484 11.529 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -0.989 6.111 10.752 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.761 6.449 13.380 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.857 5.399 14.284 1.00 0.00 H new ATOM 746 N VAL A 51 1.437 4.684 7.284 1.00 0.00 N ATOM 747 CA VAL A 51 2.430 4.105 6.395 1.00 0.00 C ATOM 748 C VAL A 51 3.822 4.580 6.814 1.00 0.00 C ATOM 749 O VAL A 51 4.020 5.761 7.097 1.00 0.00 O ATOM 750 CB VAL A 51 2.094 4.446 4.942 1.00 0.00 C ATOM 751 CG1 VAL A 51 1.496 5.850 4.833 1.00 0.00 C ATOM 752 CG2 VAL A 51 3.326 4.303 4.046 1.00 0.00 C ATOM 0 H VAL A 51 1.545 5.685 7.450 1.00 0.00 H new ATOM 0 HA VAL A 51 2.422 3.018 6.470 1.00 0.00 H new ATOM 0 HB VAL A 51 1.344 3.735 4.596 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.266 6.068 3.790 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.582 5.903 5.425 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.213 6.581 5.207 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.060 4.551 3.019 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.108 4.979 4.392 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.690 3.276 4.089 1.00 0.00 H new ATOM 762 N HIS A 52 4.752 3.637 6.841 1.00 0.00 N ATOM 763 CA HIS A 52 6.120 3.945 7.221 1.00 0.00 C ATOM 764 C HIS A 52 7.074 3.495 6.113 1.00 0.00 C ATOM 765 O HIS A 52 6.912 2.412 5.551 1.00 0.00 O ATOM 766 CB HIS A 52 6.458 3.329 8.580 1.00 0.00 C ATOM 767 CG HIS A 52 7.917 3.431 8.955 1.00 0.00 C ATOM 768 ND1 HIS A 52 8.524 4.630 9.286 1.00 0.00 N ATOM 769 CD2 HIS A 52 8.883 2.472 9.048 1.00 0.00 C ATOM 770 CE1 HIS A 52 9.798 4.392 9.563 1.00 0.00 C ATOM 771 NE2 HIS A 52 10.018 3.054 9.414 1.00 0.00 N ATOM 0 H HIS A 52 4.585 2.659 6.606 1.00 0.00 H new ATOM 0 HA HIS A 52 6.235 5.023 7.337 1.00 0.00 H new ATOM 0 HB2 HIS A 52 5.861 3.820 9.348 1.00 0.00 H new ATOM 0 HB3 HIS A 52 6.168 2.278 8.573 1.00 0.00 H new ATOM 0 HD1 HIS A 52 8.068 5.542 9.312 1.00 0.00 H new ATOM 0 HD2 HIS A 52 8.747 1.418 8.856 1.00 0.00 H new ATOM 0 HE1 HIS A 52 10.533 5.128 9.855 1.00 0.00 H new ATOM 779 N PHE A 53 8.048 4.348 5.831 1.00 0.00 N ATOM 780 CA PHE A 53 9.027 4.052 4.800 1.00 0.00 C ATOM 781 C PHE A 53 10.380 3.689 5.417 1.00 0.00 C ATOM 782 O PHE A 53 10.755 4.225 6.458 1.00 0.00 O ATOM 783 CB PHE A 53 9.188 5.320 3.958 1.00 0.00 C ATOM 784 CG PHE A 53 7.893 5.797 3.298 1.00 0.00 C ATOM 785 CD1 PHE A 53 7.151 4.933 2.555 1.00 0.00 C ATOM 786 CD2 PHE A 53 7.484 7.084 3.455 1.00 0.00 C ATOM 787 CE1 PHE A 53 5.949 5.376 1.942 1.00 0.00 C ATOM 788 CE2 PHE A 53 6.282 7.527 2.843 1.00 0.00 C ATOM 789 CZ PHE A 53 5.539 6.663 2.099 1.00 0.00 C ATOM 0 H PHE A 53 8.180 5.245 6.299 1.00 0.00 H new ATOM 0 HA PHE A 53 8.692 3.206 4.201 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.576 6.118 4.591 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.933 5.137 3.183 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.476 3.910 2.431 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.074 7.770 4.045 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.360 4.690 1.351 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.957 8.549 2.968 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.624 6.999 1.634 1.00 0.00 H new ATOM 799 N THR A 54 11.074 2.780 4.748 1.00 0.00 N ATOM 800 CA THR A 54 12.377 2.340 5.218 1.00 0.00 C ATOM 801 C THR A 54 13.397 2.381 4.078 1.00 0.00 C ATOM 802 O THR A 54 13.158 3.012 3.049 1.00 0.00 O ATOM 803 CB THR A 54 12.211 0.949 5.834 1.00 0.00 C ATOM 804 OG1 THR A 54 11.671 0.162 4.776 1.00 0.00 O ATOM 805 CG2 THR A 54 11.129 0.913 6.915 1.00 0.00 C ATOM 0 H THR A 54 10.759 2.336 3.885 1.00 0.00 H new ATOM 0 HA THR A 54 12.767 3.008 5.986 1.00 0.00 H new ATOM 0 HB THR A 54 13.161 0.625 6.260 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.789 0.509 4.528 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.052 -0.096 7.319 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.391 1.605 7.715 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.172 1.204 6.482 1.00 0.00 H new ATOM 813 N GLU A 55 14.512 1.701 4.299 1.00 0.00 N ATOM 814 CA GLU A 55 15.569 1.652 3.304 1.00 0.00 C ATOM 815 C GLU A 55 15.203 0.672 2.188 1.00 0.00 C ATOM 816 O GLU A 55 15.438 0.947 1.013 1.00 0.00 O ATOM 817 CB GLU A 55 16.908 1.279 3.943 1.00 0.00 C ATOM 818 CG GLU A 55 17.171 -0.223 3.828 1.00 0.00 C ATOM 819 CD GLU A 55 18.373 -0.636 4.680 1.00 0.00 C ATOM 820 OE1 GLU A 55 19.171 0.267 5.012 1.00 0.00 O ATOM 821 OE2 GLU A 55 18.468 -1.846 4.979 1.00 0.00 O ATOM 0 H GLU A 55 14.706 1.179 5.153 1.00 0.00 H new ATOM 0 HA GLU A 55 15.676 2.645 2.868 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.713 1.831 3.458 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.908 1.572 4.993 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.287 -0.776 4.147 1.00 0.00 H new ATOM 0 HG3 GLU A 55 17.352 -0.485 2.786 1.00 0.00 H new ATOM 828 N ARG A 56 14.632 -0.453 2.596 1.00 0.00 N ATOM 829 CA ARG A 56 14.231 -1.476 1.645 1.00 0.00 C ATOM 830 C ARG A 56 12.913 -2.118 2.081 1.00 0.00 C ATOM 831 O ARG A 56 12.880 -3.294 2.440 1.00 0.00 O ATOM 832 CB ARG A 56 15.302 -2.561 1.519 1.00 0.00 C ATOM 833 CG ARG A 56 16.571 -2.006 0.868 1.00 0.00 C ATOM 834 CD ARG A 56 16.610 -2.336 -0.625 1.00 0.00 C ATOM 835 NE ARG A 56 17.140 -3.704 -0.828 1.00 0.00 N ATOM 836 CZ ARG A 56 18.417 -4.053 -0.619 1.00 0.00 C ATOM 837 NH1 ARG A 56 19.302 -3.138 -0.201 1.00 0.00 N ATOM 838 NH2 ARG A 56 18.808 -5.317 -0.829 1.00 0.00 N ATOM 0 H ARG A 56 14.438 -0.678 3.572 1.00 0.00 H new ATOM 0 HA ARG A 56 14.102 -0.995 0.675 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.539 -2.959 2.506 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.917 -3.390 0.925 1.00 0.00 H new ATOM 0 HG2 ARG A 56 16.613 -0.926 1.007 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.449 -2.424 1.360 1.00 0.00 H new ATOM 0 HD2 ARG A 56 15.609 -2.258 -1.049 1.00 0.00 H new ATOM 0 HD3 ARG A 56 17.235 -1.613 -1.149 1.00 0.00 H new ATOM 0 HE ARG A 56 16.493 -4.425 -1.147 1.00 0.00 H new ATOM 0 HH11 ARG A 56 19.004 -2.176 -0.042 1.00 0.00 H new ATOM 0 HH12 ARG A 56 20.274 -3.404 -0.042 1.00 0.00 H new ATOM 0 HH21 ARG A 56 18.134 -6.013 -1.148 1.00 0.00 H new ATOM 0 HH22 ARG A 56 19.780 -5.583 -0.670 1.00 0.00 H new ATOM 852 N SER A 57 11.858 -1.317 2.037 1.00 0.00 N ATOM 853 CA SER A 57 10.540 -1.793 2.423 1.00 0.00 C ATOM 854 C SER A 57 9.638 -0.608 2.771 1.00 0.00 C ATOM 855 O SER A 57 10.123 0.495 3.017 1.00 0.00 O ATOM 856 CB SER A 57 10.628 -2.759 3.606 1.00 0.00 C ATOM 857 OG SER A 57 11.632 -2.369 4.540 1.00 0.00 O ATOM 0 H SER A 57 11.889 -0.342 1.740 1.00 0.00 H new ATOM 0 HA SER A 57 10.110 -2.333 1.579 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.662 -2.805 4.110 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.844 -3.763 3.239 1.00 0.00 H new ATOM 0 HG SER A 57 11.619 -1.395 4.647 1.00 0.00 H new ATOM 863 N PHE A 58 8.340 -0.876 2.781 1.00 0.00 N ATOM 864 CA PHE A 58 7.365 0.154 3.095 1.00 0.00 C ATOM 865 C PHE A 58 6.046 -0.463 3.563 1.00 0.00 C ATOM 866 O PHE A 58 5.485 -1.325 2.888 1.00 0.00 O ATOM 867 CB PHE A 58 7.117 0.943 1.808 1.00 0.00 C ATOM 868 CG PHE A 58 5.864 0.509 1.044 1.00 0.00 C ATOM 869 CD1 PHE A 58 4.633 0.722 1.580 1.00 0.00 C ATOM 870 CD2 PHE A 58 5.982 -0.091 -0.171 1.00 0.00 C ATOM 871 CE1 PHE A 58 3.470 0.319 0.871 1.00 0.00 C ATOM 872 CE2 PHE A 58 4.820 -0.493 -0.880 1.00 0.00 C ATOM 873 CZ PHE A 58 3.588 -0.280 -0.344 1.00 0.00 C ATOM 0 H PHE A 58 7.941 -1.792 2.576 1.00 0.00 H new ATOM 0 HA PHE A 58 7.742 0.790 3.896 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.032 2.002 2.054 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.983 0.836 1.155 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.539 1.198 2.545 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.960 -0.262 -0.596 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.492 0.488 1.297 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.914 -0.968 -1.845 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.704 -0.587 -0.883 1.00 0.00 H new ATOM 883 N ASP A 59 5.588 0.001 4.717 1.00 0.00 N ATOM 884 CA ASP A 59 4.346 -0.495 5.283 1.00 0.00 C ATOM 885 C ASP A 59 3.250 0.557 5.099 1.00 0.00 C ATOM 886 O ASP A 59 3.514 1.756 5.189 1.00 0.00 O ATOM 887 CB ASP A 59 4.493 -0.767 6.782 1.00 0.00 C ATOM 888 CG ASP A 59 5.222 0.325 7.568 1.00 0.00 C ATOM 889 OD1 ASP A 59 6.346 0.672 7.147 1.00 0.00 O ATOM 890 OD2 ASP A 59 4.639 0.786 8.573 1.00 0.00 O ATOM 0 H ASP A 59 6.056 0.715 5.275 1.00 0.00 H new ATOM 0 HA ASP A 59 4.090 -1.423 4.771 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.500 -0.901 7.211 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.027 -1.708 6.915 1.00 0.00 H new ATOM 895 N LEU A 60 2.044 0.072 4.844 1.00 0.00 N ATOM 896 CA LEU A 60 0.908 0.956 4.646 1.00 0.00 C ATOM 897 C LEU A 60 -0.335 0.332 5.285 1.00 0.00 C ATOM 898 O LEU A 60 -0.777 -0.739 4.873 1.00 0.00 O ATOM 899 CB LEU A 60 0.737 1.285 3.162 1.00 0.00 C ATOM 900 CG LEU A 60 -0.274 2.385 2.831 1.00 0.00 C ATOM 901 CD1 LEU A 60 -1.070 2.036 1.572 1.00 0.00 C ATOM 902 CD2 LEU A 60 -1.186 2.669 4.026 1.00 0.00 C ATOM 0 H LEU A 60 1.829 -0.922 4.770 1.00 0.00 H new ATOM 0 HA LEU A 60 1.077 1.911 5.143 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.707 1.578 2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.438 0.376 2.641 1.00 0.00 H new ATOM 0 HG LEU A 60 0.275 3.303 2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.781 2.834 1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.388 1.923 0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.609 1.102 1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.895 3.454 3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.730 1.763 4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.583 2.992 4.875 1.00 0.00 H new ATOM 914 N LEU A 61 -0.862 1.029 6.280 1.00 0.00 N ATOM 915 CA LEU A 61 -2.045 0.557 6.979 1.00 0.00 C ATOM 916 C LEU A 61 -3.223 1.480 6.661 1.00 0.00 C ATOM 917 O LEU A 61 -3.039 2.678 6.450 1.00 0.00 O ATOM 918 CB LEU A 61 -1.762 0.416 8.476 1.00 0.00 C ATOM 919 CG LEU A 61 -2.986 0.233 9.376 1.00 0.00 C ATOM 920 CD1 LEU A 61 -3.851 1.495 9.390 1.00 0.00 C ATOM 921 CD2 LEU A 61 -3.786 -1.005 8.968 1.00 0.00 C ATOM 0 H LEU A 61 -0.492 1.917 6.619 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.318 -0.440 6.634 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.098 -0.436 8.621 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.221 1.302 8.808 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.638 0.070 10.396 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.714 1.338 10.037 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.265 2.334 9.765 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.192 1.714 8.378 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.650 -1.112 9.623 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.123 -0.897 7.937 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.155 -1.890 9.052 1.00 0.00 H new ATOM 933 N VAL A 62 -4.408 0.888 6.635 1.00 0.00 N ATOM 934 CA VAL A 62 -5.616 1.642 6.345 1.00 0.00 C ATOM 935 C VAL A 62 -6.760 1.118 7.216 1.00 0.00 C ATOM 936 O VAL A 62 -7.177 -0.030 7.075 1.00 0.00 O ATOM 937 CB VAL A 62 -5.926 1.578 4.848 1.00 0.00 C ATOM 938 CG1 VAL A 62 -7.295 2.191 4.546 1.00 0.00 C ATOM 939 CG2 VAL A 62 -4.827 2.259 4.031 1.00 0.00 C ATOM 0 H VAL A 62 -4.557 -0.106 6.810 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.477 2.695 6.589 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.957 0.528 4.556 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.491 2.133 3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.066 1.643 5.087 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.304 3.235 4.861 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.072 2.199 2.971 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.749 3.305 4.327 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.876 1.759 4.212 1.00 0.00 H new ATOM 949 N LYS A 63 -7.235 1.986 8.097 1.00 0.00 N ATOM 950 CA LYS A 63 -8.323 1.626 8.991 1.00 0.00 C ATOM 951 C LYS A 63 -9.576 2.414 8.605 1.00 0.00 C ATOM 952 O LYS A 63 -9.490 3.414 7.895 1.00 0.00 O ATOM 953 CB LYS A 63 -7.902 1.814 10.450 1.00 0.00 C ATOM 954 CG LYS A 63 -7.685 0.464 11.137 1.00 0.00 C ATOM 955 CD LYS A 63 -6.356 0.442 11.894 1.00 0.00 C ATOM 956 CE LYS A 63 -5.719 -0.948 11.843 1.00 0.00 C ATOM 957 NZ LYS A 63 -5.665 -1.544 13.197 1.00 0.00 N ATOM 0 H LYS A 63 -6.887 2.938 8.211 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.567 0.569 8.888 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.984 2.400 10.495 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.667 2.378 10.983 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.505 0.268 11.828 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.697 -0.333 10.393 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.675 1.174 11.461 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.520 0.733 12.932 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.293 -1.593 11.178 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.713 -0.878 11.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.230 -2.487 13.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.098 -0.936 13.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.629 -1.628 13.578 1.00 0.00 H new ATOM 971 N ASN A 64 -10.711 1.933 9.091 1.00 0.00 N ATOM 972 CA ASN A 64 -11.981 2.580 8.806 1.00 0.00 C ATOM 973 C ASN A 64 -12.002 3.030 7.344 1.00 0.00 C ATOM 974 O ASN A 64 -11.583 4.142 7.026 1.00 0.00 O ATOM 975 CB ASN A 64 -12.177 3.818 9.684 1.00 0.00 C ATOM 976 CG ASN A 64 -13.664 4.088 9.925 1.00 0.00 C ATOM 977 OD1 ASN A 64 -14.283 3.541 10.823 1.00 0.00 O ATOM 978 ND2 ASN A 64 -14.200 4.960 9.076 1.00 0.00 N ATOM 0 H ASN A 64 -10.778 1.103 9.680 1.00 0.00 H new ATOM 0 HA ASN A 64 -12.778 1.864 9.008 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.670 3.676 10.638 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.719 4.684 9.206 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -15.186 5.208 9.154 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -13.625 5.381 8.347 1.00 0.00 H new ATOM 985 N LEU A 65 -12.494 2.142 6.492 1.00 0.00 N ATOM 986 CA LEU A 65 -12.576 2.434 5.071 1.00 0.00 C ATOM 987 C LEU A 65 -14.001 2.167 4.581 1.00 0.00 C ATOM 988 O LEU A 65 -14.967 2.600 5.207 1.00 0.00 O ATOM 989 CB LEU A 65 -11.506 1.656 4.302 1.00 0.00 C ATOM 990 CG LEU A 65 -11.160 2.188 2.910 1.00 0.00 C ATOM 991 CD1 LEU A 65 -11.897 3.499 2.626 1.00 0.00 C ATOM 992 CD2 LEU A 65 -9.647 2.332 2.738 1.00 0.00 C ATOM 0 H LEU A 65 -12.840 1.220 6.759 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.367 3.488 4.886 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.595 1.642 4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.838 0.623 4.202 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.499 1.461 2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.634 3.856 1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.973 3.330 2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.610 4.245 3.367 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.429 2.712 1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.261 3.027 3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.172 1.360 2.868 1.00 0.00 H new ATOM 1004 N ASN A 66 -14.086 1.457 3.466 1.00 0.00 N ATOM 1005 CA ASN A 66 -15.377 1.128 2.885 1.00 0.00 C ATOM 1006 C ASN A 66 -16.090 0.112 3.780 1.00 0.00 C ATOM 1007 O ASN A 66 -16.235 -1.052 3.410 1.00 0.00 O ATOM 1008 CB ASN A 66 -15.213 0.503 1.498 1.00 0.00 C ATOM 1009 CG ASN A 66 -16.354 0.923 0.570 1.00 0.00 C ATOM 1010 OD1 ASN A 66 -17.243 0.151 0.248 1.00 0.00 O ATOM 1011 ND2 ASN A 66 -16.281 2.185 0.158 1.00 0.00 N ATOM 0 H ASN A 66 -13.282 1.100 2.949 1.00 0.00 H new ATOM 0 HA ASN A 66 -15.953 2.049 2.800 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -14.259 0.808 1.068 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.191 -0.583 1.585 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -16.996 2.560 -0.465 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -15.510 2.778 0.465 1.00 0.00 H new ATOM 1018 N GLY A 67 -16.516 0.590 4.940 1.00 0.00 N ATOM 1019 CA GLY A 67 -17.211 -0.262 5.890 1.00 0.00 C ATOM 1020 C GLY A 67 -16.312 -1.407 6.359 1.00 0.00 C ATOM 1021 O GLY A 67 -16.801 -2.431 6.834 1.00 0.00 O ATOM 0 H GLY A 67 -16.393 1.556 5.243 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -17.530 0.329 6.748 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -18.112 -0.667 5.429 1.00 0.00 H new ATOM 1025 N LYS A 68 -15.012 -1.197 6.209 1.00 0.00 N ATOM 1026 CA LYS A 68 -14.040 -2.199 6.611 1.00 0.00 C ATOM 1027 C LYS A 68 -12.657 -1.552 6.710 1.00 0.00 C ATOM 1028 O LYS A 68 -12.534 -0.330 6.646 1.00 0.00 O ATOM 1029 CB LYS A 68 -14.090 -3.402 5.667 1.00 0.00 C ATOM 1030 CG LYS A 68 -14.548 -2.983 4.268 1.00 0.00 C ATOM 1031 CD LYS A 68 -13.818 -3.784 3.189 1.00 0.00 C ATOM 1032 CE LYS A 68 -13.974 -5.288 3.421 1.00 0.00 C ATOM 1033 NZ LYS A 68 -13.592 -6.043 2.207 1.00 0.00 N ATOM 0 H LYS A 68 -14.609 -0.347 5.814 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.281 -2.588 7.600 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.104 -3.863 5.608 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.771 -4.154 6.066 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.623 -3.134 4.173 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.362 -1.919 4.124 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.212 -3.521 2.207 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.760 -3.520 3.189 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.352 -5.599 4.260 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.006 -5.515 3.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.507 -7.053 2.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -14.320 -5.916 1.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.680 -5.691 1.852 1.00 0.00 H new ATOM 1047 N SER A 69 -11.651 -2.400 6.864 1.00 0.00 N ATOM 1048 CA SER A 69 -10.282 -1.926 6.972 1.00 0.00 C ATOM 1049 C SER A 69 -9.380 -2.709 6.016 1.00 0.00 C ATOM 1050 O SER A 69 -9.664 -3.861 5.693 1.00 0.00 O ATOM 1051 CB SER A 69 -9.769 -2.050 8.408 1.00 0.00 C ATOM 1052 OG SER A 69 -10.793 -1.794 9.365 1.00 0.00 O ATOM 0 H SER A 69 -11.757 -3.413 6.917 1.00 0.00 H new ATOM 0 HA SER A 69 -10.262 -0.871 6.697 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.369 -3.052 8.565 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.947 -1.351 8.561 1.00 0.00 H new ATOM 0 HG SER A 69 -10.426 -1.885 10.269 1.00 0.00 H new ATOM 1058 N TYR A 70 -8.311 -2.052 5.591 1.00 0.00 N ATOM 1059 CA TYR A 70 -7.365 -2.672 4.679 1.00 0.00 C ATOM 1060 C TYR A 70 -5.928 -2.488 5.170 1.00 0.00 C ATOM 1061 O TYR A 70 -5.610 -1.487 5.810 1.00 0.00 O ATOM 1062 CB TYR A 70 -7.531 -1.947 3.342 1.00 0.00 C ATOM 1063 CG TYR A 70 -8.904 -2.142 2.695 1.00 0.00 C ATOM 1064 CD1 TYR A 70 -10.019 -1.547 3.249 1.00 0.00 C ATOM 1065 CD2 TYR A 70 -9.027 -2.913 1.556 1.00 0.00 C ATOM 1066 CE1 TYR A 70 -11.310 -1.730 2.639 1.00 0.00 C ATOM 1067 CE2 TYR A 70 -10.318 -3.096 0.947 1.00 0.00 C ATOM 1068 CZ TYR A 70 -11.397 -2.496 1.519 1.00 0.00 C ATOM 1069 OH TYR A 70 -12.617 -2.669 0.943 1.00 0.00 O ATOM 0 H TYR A 70 -8.079 -1.096 5.861 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.554 -3.743 4.601 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -7.361 -0.881 3.495 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.763 -2.297 2.653 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.923 -0.944 4.140 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -8.154 -3.379 1.122 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -12.190 -1.269 3.062 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.428 -3.696 0.056 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.527 -3.238 0.150 1.00 0.00 H new ATOM 1079 N SER A 71 -5.097 -3.471 4.853 1.00 0.00 N ATOM 1080 CA SER A 71 -3.702 -3.430 5.254 1.00 0.00 C ATOM 1081 C SER A 71 -2.807 -3.831 4.079 1.00 0.00 C ATOM 1082 O SER A 71 -3.155 -4.723 3.307 1.00 0.00 O ATOM 1083 CB SER A 71 -3.446 -4.345 6.453 1.00 0.00 C ATOM 1084 OG SER A 71 -3.872 -5.682 6.204 1.00 0.00 O ATOM 0 H SER A 71 -5.364 -4.300 4.323 1.00 0.00 H new ATOM 0 HA SER A 71 -3.462 -2.410 5.553 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.382 -4.342 6.691 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.969 -3.954 7.326 1.00 0.00 H new ATOM 0 HG SER A 71 -4.821 -5.683 5.958 1.00 0.00 H new ATOM 1090 N MET A 72 -1.673 -3.154 3.981 1.00 0.00 N ATOM 1091 CA MET A 72 -0.727 -3.429 2.914 1.00 0.00 C ATOM 1092 C MET A 72 0.708 -3.153 3.368 1.00 0.00 C ATOM 1093 O MET A 72 1.030 -2.038 3.777 1.00 0.00 O ATOM 1094 CB MET A 72 -1.056 -2.555 1.702 1.00 0.00 C ATOM 1095 CG MET A 72 0.113 -2.525 0.714 1.00 0.00 C ATOM 1096 SD MET A 72 -0.460 -2.003 -0.894 1.00 0.00 S ATOM 1097 CE MET A 72 0.022 -3.419 -1.868 1.00 0.00 C ATOM 0 H MET A 72 -1.388 -2.415 4.624 1.00 0.00 H new ATOM 0 HA MET A 72 -0.807 -4.483 2.646 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.947 -2.937 1.205 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.285 -1.541 2.031 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.885 -1.845 1.072 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.566 -3.514 0.644 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.363 -3.087 -2.849 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.830 -3.950 -1.364 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.832 -4.086 -1.987 1.00 0.00 H new ATOM 1107 N ILE A 73 1.532 -4.187 3.281 1.00 0.00 N ATOM 1108 CA ILE A 73 2.924 -4.070 3.679 1.00 0.00 C ATOM 1109 C ILE A 73 3.809 -4.743 2.627 1.00 0.00 C ATOM 1110 O ILE A 73 3.431 -5.765 2.056 1.00 0.00 O ATOM 1111 CB ILE A 73 3.126 -4.617 5.093 1.00 0.00 C ATOM 1112 CG1 ILE A 73 2.825 -3.546 6.143 1.00 0.00 C ATOM 1113 CG2 ILE A 73 4.529 -5.204 5.259 1.00 0.00 C ATOM 1114 CD1 ILE A 73 2.840 -4.140 7.553 1.00 0.00 C ATOM 0 H ILE A 73 1.262 -5.110 2.941 1.00 0.00 H new ATOM 0 HA ILE A 73 3.220 -3.022 3.723 1.00 0.00 H new ATOM 0 HB ILE A 73 2.417 -5.430 5.249 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.563 -2.746 6.074 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.851 -3.099 5.943 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.646 -5.586 6.273 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.670 -6.017 4.547 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.272 -4.428 5.075 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.623 -3.357 8.280 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.085 -4.923 7.626 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.823 -4.564 7.759 1.00 0.00 H new ATOM 1126 N VAL A 74 4.969 -4.143 2.404 1.00 0.00 N ATOM 1127 CA VAL A 74 5.909 -4.672 1.431 1.00 0.00 C ATOM 1128 C VAL A 74 7.297 -4.765 2.068 1.00 0.00 C ATOM 1129 O VAL A 74 7.862 -3.754 2.483 1.00 0.00 O ATOM 1130 CB VAL A 74 5.889 -3.815 0.164 1.00 0.00 C ATOM 1131 CG1 VAL A 74 4.544 -3.103 0.004 1.00 0.00 C ATOM 1132 CG2 VAL A 74 7.044 -2.812 0.162 1.00 0.00 C ATOM 0 H VAL A 74 5.279 -3.296 2.880 1.00 0.00 H new ATOM 0 HA VAL A 74 5.621 -5.679 1.130 1.00 0.00 H new ATOM 0 HB VAL A 74 6.020 -4.479 -0.691 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.557 -2.501 -0.904 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.746 -3.843 -0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.369 -2.457 0.865 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.006 -2.216 -0.750 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.958 -2.156 1.028 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.992 -3.348 0.206 1.00 0.00 H new ATOM 1142 N ASN A 75 7.807 -5.987 2.126 1.00 0.00 N ATOM 1143 CA ASN A 75 9.118 -6.224 2.706 1.00 0.00 C ATOM 1144 C ASN A 75 10.034 -6.842 1.648 1.00 0.00 C ATOM 1145 O ASN A 75 9.656 -7.803 0.979 1.00 0.00 O ATOM 1146 CB ASN A 75 9.031 -7.197 3.883 1.00 0.00 C ATOM 1147 CG ASN A 75 8.148 -6.632 4.998 1.00 0.00 C ATOM 1148 OD1 ASN A 75 8.244 -5.476 5.375 1.00 0.00 O ATOM 1149 ND2 ASN A 75 7.286 -7.510 5.502 1.00 0.00 N ATOM 0 H ASN A 75 7.336 -6.823 1.781 1.00 0.00 H new ATOM 0 HA ASN A 75 9.510 -5.269 3.056 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.627 -8.150 3.542 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.030 -7.395 4.271 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.652 -7.230 6.251 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.258 -8.463 5.140 1.00 0.00 H new ATOM 1156 N ASN A 76 11.221 -6.266 1.529 1.00 0.00 N ATOM 1157 CA ASN A 76 12.194 -6.748 0.564 1.00 0.00 C ATOM 1158 C ASN A 76 11.927 -6.094 -0.793 1.00 0.00 C ATOM 1159 O ASN A 76 11.271 -6.682 -1.652 1.00 0.00 O ATOM 1160 CB ASN A 76 12.089 -8.264 0.387 1.00 0.00 C ATOM 1161 CG ASN A 76 11.850 -8.958 1.729 1.00 0.00 C ATOM 1162 OD1 ASN A 76 12.321 -8.531 2.771 1.00 0.00 O ATOM 1163 ND2 ASN A 76 11.092 -10.048 1.647 1.00 0.00 N ATOM 0 H ASN A 76 11.531 -5.469 2.085 1.00 0.00 H new ATOM 0 HA ASN A 76 13.188 -6.496 0.933 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.274 -8.498 -0.298 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.005 -8.645 -0.065 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.873 -10.581 2.488 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.730 -10.350 0.743 1.00 0.00 H new ATOM 1170 N LEU A 77 12.449 -4.885 -0.945 1.00 0.00 N ATOM 1171 CA LEU A 77 12.276 -4.145 -2.183 1.00 0.00 C ATOM 1172 C LEU A 77 13.500 -4.358 -3.075 1.00 0.00 C ATOM 1173 O LEU A 77 14.635 -4.224 -2.620 1.00 0.00 O ATOM 1174 CB LEU A 77 11.976 -2.674 -1.890 1.00 0.00 C ATOM 1175 CG LEU A 77 10.649 -2.386 -1.185 1.00 0.00 C ATOM 1176 CD1 LEU A 77 10.543 -0.911 -0.795 1.00 0.00 C ATOM 1177 CD2 LEU A 77 9.465 -2.840 -2.040 1.00 0.00 C ATOM 0 H LEU A 77 12.992 -4.400 -0.231 1.00 0.00 H new ATOM 0 HA LEU A 77 11.412 -4.519 -2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 77 12.784 -2.274 -1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.990 -2.127 -2.832 1.00 0.00 H new ATOM 0 HG LEU A 77 10.620 -2.965 -0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.590 -0.734 -0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.359 -0.653 -0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.604 -0.293 -1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.534 -2.624 -1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.478 -2.308 -2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.538 -3.912 -2.223 1.00 0.00 H new ATOM 1189 N LEU A 78 13.229 -4.686 -4.330 1.00 0.00 N ATOM 1190 CA LEU A 78 14.294 -4.918 -5.290 1.00 0.00 C ATOM 1191 C LEU A 78 15.425 -3.918 -5.043 1.00 0.00 C ATOM 1192 O LEU A 78 16.592 -4.300 -4.970 1.00 0.00 O ATOM 1193 CB LEU A 78 13.745 -4.885 -6.718 1.00 0.00 C ATOM 1194 CG LEU A 78 14.545 -5.667 -7.762 1.00 0.00 C ATOM 1195 CD1 LEU A 78 14.488 -7.170 -7.483 1.00 0.00 C ATOM 1196 CD2 LEU A 78 14.075 -5.329 -9.178 1.00 0.00 C ATOM 0 H LEU A 78 12.286 -4.797 -4.704 1.00 0.00 H new ATOM 0 HA LEU A 78 14.715 -5.915 -5.158 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.727 -5.273 -6.704 1.00 0.00 H new ATOM 0 HB3 LEU A 78 13.685 -3.845 -7.039 1.00 0.00 H new ATOM 0 HG LEU A 78 15.590 -5.365 -7.689 1.00 0.00 H new ATOM 0 HD11 LEU A 78 15.064 -7.703 -8.239 1.00 0.00 H new ATOM 0 HD12 LEU A 78 14.907 -7.373 -6.498 1.00 0.00 H new ATOM 0 HD13 LEU A 78 13.452 -7.507 -7.513 1.00 0.00 H new ATOM 0 HD21 LEU A 78 14.660 -5.898 -9.901 1.00 0.00 H new ATOM 0 HD22 LEU A 78 13.021 -5.585 -9.282 1.00 0.00 H new ATOM 0 HD23 LEU A 78 14.210 -4.263 -9.361 1.00 0.00 H new ATOM 1208 N LYS A 79 15.040 -2.656 -4.919 1.00 0.00 N ATOM 1209 CA LYS A 79 16.007 -1.598 -4.681 1.00 0.00 C ATOM 1210 C LYS A 79 15.612 -0.826 -3.420 1.00 0.00 C ATOM 1211 O LYS A 79 14.457 -0.866 -3.000 1.00 0.00 O ATOM 1212 CB LYS A 79 16.152 -0.716 -5.922 1.00 0.00 C ATOM 1213 CG LYS A 79 16.362 -1.565 -7.178 1.00 0.00 C ATOM 1214 CD LYS A 79 17.849 -1.676 -7.522 1.00 0.00 C ATOM 1215 CE LYS A 79 18.115 -2.888 -8.416 1.00 0.00 C ATOM 1216 NZ LYS A 79 19.557 -3.221 -8.422 1.00 0.00 N ATOM 0 H LYS A 79 14.071 -2.343 -4.979 1.00 0.00 H new ATOM 0 HA LYS A 79 16.996 -2.019 -4.500 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.261 -0.100 -6.040 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.995 -0.037 -5.793 1.00 0.00 H new ATOM 0 HG2 LYS A 79 15.946 -2.560 -7.022 1.00 0.00 H new ATOM 0 HG3 LYS A 79 15.823 -1.122 -8.015 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.178 -0.768 -8.027 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.433 -1.760 -6.605 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.540 -3.743 -8.060 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.780 -2.679 -9.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.720 -4.046 -9.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 20.099 -2.410 -8.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.866 -3.441 -7.454 1.00 0.00 H new ATOM 1230 N PRO A 80 16.620 -0.124 -2.837 1.00 0.00 N ATOM 1231 CA PRO A 80 16.390 0.656 -1.633 1.00 0.00 C ATOM 1232 C PRO A 80 15.629 1.945 -1.952 1.00 0.00 C ATOM 1233 O PRO A 80 15.503 2.325 -3.115 1.00 0.00 O ATOM 1234 CB PRO A 80 17.773 0.910 -1.058 1.00 0.00 C ATOM 1235 CG PRO A 80 18.749 0.667 -2.198 1.00 0.00 C ATOM 1236 CD PRO A 80 18.000 -0.053 -3.308 1.00 0.00 C ATOM 0 HA PRO A 80 15.762 0.137 -0.909 1.00 0.00 H new ATOM 0 HB2 PRO A 80 17.858 1.929 -0.681 1.00 0.00 H new ATOM 0 HB3 PRO A 80 17.977 0.243 -0.221 1.00 0.00 H new ATOM 0 HG2 PRO A 80 19.154 1.611 -2.561 1.00 0.00 H new ATOM 0 HG3 PRO A 80 19.593 0.068 -1.856 1.00 0.00 H new ATOM 0 HD2 PRO A 80 18.070 0.491 -4.250 1.00 0.00 H new ATOM 0 HD3 PRO A 80 18.411 -1.047 -3.483 1.00 0.00 H new ATOM 1244 N ILE A 81 15.140 2.582 -0.898 1.00 0.00 N ATOM 1245 CA ILE A 81 14.395 3.820 -1.050 1.00 0.00 C ATOM 1246 C ILE A 81 14.616 4.699 0.183 1.00 0.00 C ATOM 1247 O ILE A 81 14.622 4.204 1.309 1.00 0.00 O ATOM 1248 CB ILE A 81 12.922 3.526 -1.340 1.00 0.00 C ATOM 1249 CG1 ILE A 81 12.331 2.591 -0.283 1.00 0.00 C ATOM 1250 CG2 ILE A 81 12.741 2.978 -2.757 1.00 0.00 C ATOM 1251 CD1 ILE A 81 11.399 3.351 0.662 1.00 0.00 C ATOM 0 H ILE A 81 15.245 2.264 0.065 1.00 0.00 H new ATOM 0 HA ILE A 81 14.760 4.381 -1.910 1.00 0.00 H new ATOM 0 HB ILE A 81 12.369 4.464 -1.285 1.00 0.00 H new ATOM 0 HG12 ILE A 81 11.782 1.786 -0.771 1.00 0.00 H new ATOM 0 HG13 ILE A 81 13.135 2.128 0.289 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.685 2.777 -2.937 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.100 3.711 -3.479 1.00 0.00 H new ATOM 0 HG23 ILE A 81 13.309 2.054 -2.865 1.00 0.00 H new ATOM 0 HD11 ILE A 81 10.993 2.663 1.403 1.00 0.00 H new ATOM 0 HD12 ILE A 81 11.957 4.140 1.166 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.582 3.792 0.091 1.00 0.00 H new ATOM 1263 N SER A 82 14.793 5.987 -0.072 1.00 0.00 N ATOM 1264 CA SER A 82 15.013 6.939 1.003 1.00 0.00 C ATOM 1265 C SER A 82 13.764 7.036 1.880 1.00 0.00 C ATOM 1266 O SER A 82 12.642 6.963 1.380 1.00 0.00 O ATOM 1267 CB SER A 82 15.383 8.317 0.451 1.00 0.00 C ATOM 1268 OG SER A 82 16.488 8.891 1.143 1.00 0.00 O ATOM 0 H SER A 82 14.789 6.393 -1.008 1.00 0.00 H new ATOM 0 HA SER A 82 15.847 6.584 1.609 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.624 8.230 -0.608 1.00 0.00 H new ATOM 0 HB3 SER A 82 14.522 8.981 0.528 1.00 0.00 H new ATOM 0 HG SER A 82 16.694 9.769 0.759 1.00 0.00 H new ATOM 1274 N VAL A 83 13.999 7.200 3.174 1.00 0.00 N ATOM 1275 CA VAL A 83 12.907 7.308 4.126 1.00 0.00 C ATOM 1276 C VAL A 83 12.468 8.771 4.228 1.00 0.00 C ATOM 1277 O VAL A 83 11.368 9.123 3.806 1.00 0.00 O ATOM 1278 CB VAL A 83 13.325 6.714 5.472 1.00 0.00 C ATOM 1279 CG1 VAL A 83 12.319 7.076 6.567 1.00 0.00 C ATOM 1280 CG2 VAL A 83 13.504 5.198 5.371 1.00 0.00 C ATOM 0 H VAL A 83 14.930 7.261 3.585 1.00 0.00 H new ATOM 0 HA VAL A 83 12.046 6.733 3.786 1.00 0.00 H new ATOM 0 HB VAL A 83 14.287 7.147 5.745 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.640 6.641 7.514 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.263 8.160 6.666 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.337 6.685 6.302 1.00 0.00 H new ATOM 0 HG21 VAL A 83 13.801 4.801 6.342 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.564 4.740 5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 83 14.275 4.971 4.635 1.00 0.00 H new ATOM 1290 N GLU A 84 13.351 9.582 4.791 1.00 0.00 N ATOM 1291 CA GLU A 84 13.069 10.998 4.953 1.00 0.00 C ATOM 1292 C GLU A 84 12.691 11.622 3.609 1.00 0.00 C ATOM 1293 O GLU A 84 12.085 12.692 3.565 1.00 0.00 O ATOM 1294 CB GLU A 84 14.259 11.726 5.580 1.00 0.00 C ATOM 1295 CG GLU A 84 14.235 11.605 7.105 1.00 0.00 C ATOM 1296 CD GLU A 84 15.101 12.686 7.755 1.00 0.00 C ATOM 1297 OE1 GLU A 84 16.267 12.815 7.323 1.00 0.00 O ATOM 1298 OE2 GLU A 84 14.578 13.360 8.669 1.00 0.00 O ATOM 0 H GLU A 84 14.262 9.286 5.141 1.00 0.00 H new ATOM 0 HA GLU A 84 12.222 11.104 5.631 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.189 11.310 5.193 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.238 12.778 5.295 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.209 11.691 7.464 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.595 10.619 7.401 1.00 0.00 H new ATOM 1305 N GLY A 85 13.065 10.928 2.544 1.00 0.00 N ATOM 1306 CA GLY A 85 12.773 11.400 1.202 1.00 0.00 C ATOM 1307 C GLY A 85 11.450 10.824 0.693 1.00 0.00 C ATOM 1308 O GLY A 85 10.743 11.470 -0.079 1.00 0.00 O ATOM 0 H GLY A 85 13.568 10.042 2.584 1.00 0.00 H new ATOM 0 HA2 GLY A 85 12.725 12.489 1.198 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.581 11.114 0.528 1.00 0.00 H new ATOM 1312 N SER A 86 11.155 9.614 1.146 1.00 0.00 N ATOM 1313 CA SER A 86 9.930 8.943 0.747 1.00 0.00 C ATOM 1314 C SER A 86 8.716 9.714 1.271 1.00 0.00 C ATOM 1315 O SER A 86 8.825 10.465 2.239 1.00 0.00 O ATOM 1316 CB SER A 86 9.902 7.500 1.254 1.00 0.00 C ATOM 1317 OG SER A 86 10.500 6.597 0.328 1.00 0.00 O ATOM 0 H SER A 86 11.744 9.081 1.786 1.00 0.00 H new ATOM 0 HA SER A 86 9.893 8.917 -0.342 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.426 7.441 2.208 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.870 7.200 1.438 1.00 0.00 H new ATOM 0 HG SER A 86 11.461 6.780 0.267 1.00 0.00 H new ATOM 1323 N SER A 87 7.589 9.501 0.609 1.00 0.00 N ATOM 1324 CA SER A 87 6.356 10.166 0.996 1.00 0.00 C ATOM 1325 C SER A 87 5.155 9.285 0.649 1.00 0.00 C ATOM 1326 O SER A 87 5.268 8.366 -0.161 1.00 0.00 O ATOM 1327 CB SER A 87 6.229 11.530 0.315 1.00 0.00 C ATOM 1328 OG SER A 87 7.495 12.161 0.144 1.00 0.00 O ATOM 0 H SER A 87 7.503 8.877 -0.193 1.00 0.00 H new ATOM 0 HA SER A 87 6.379 10.329 2.073 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.751 11.407 -0.657 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.581 12.173 0.910 1.00 0.00 H new ATOM 0 HG SER A 87 7.372 13.028 -0.295 1.00 0.00 H new ATOM 1334 N LYS A 88 4.032 9.596 1.279 1.00 0.00 N ATOM 1335 CA LYS A 88 2.810 8.844 1.047 1.00 0.00 C ATOM 1336 C LYS A 88 1.713 9.797 0.569 1.00 0.00 C ATOM 1337 O LYS A 88 1.499 10.852 1.164 1.00 0.00 O ATOM 1338 CB LYS A 88 2.429 8.043 2.293 1.00 0.00 C ATOM 1339 CG LYS A 88 1.403 8.800 3.139 1.00 0.00 C ATOM 1340 CD LYS A 88 0.004 8.693 2.529 1.00 0.00 C ATOM 1341 CE LYS A 88 -0.919 7.855 3.417 1.00 0.00 C ATOM 1342 NZ LYS A 88 -2.010 8.691 3.965 1.00 0.00 N ATOM 0 H LYS A 88 3.942 10.359 1.950 1.00 0.00 H new ATOM 0 HA LYS A 88 2.960 8.108 0.257 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.020 7.077 1.998 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.320 7.844 2.888 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.394 8.398 4.152 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.691 9.848 3.215 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.417 9.690 2.399 1.00 0.00 H new ATOM 0 HD3 LYS A 88 0.069 8.243 1.538 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.339 7.031 2.840 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.346 7.414 4.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.117 8.499 4.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.781 9.696 3.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.899 8.466 3.475 1.00 0.00 H new ATOM 1356 N LYS A 89 1.046 9.391 -0.502 1.00 0.00 N ATOM 1357 CA LYS A 89 -0.024 10.196 -1.066 1.00 0.00 C ATOM 1358 C LYS A 89 -1.292 9.346 -1.176 1.00 0.00 C ATOM 1359 O LYS A 89 -1.229 8.120 -1.112 1.00 0.00 O ATOM 1360 CB LYS A 89 0.416 10.818 -2.393 1.00 0.00 C ATOM 1361 CG LYS A 89 1.041 12.197 -2.171 1.00 0.00 C ATOM 1362 CD LYS A 89 0.374 13.250 -3.057 1.00 0.00 C ATOM 1363 CE LYS A 89 0.743 13.044 -4.528 1.00 0.00 C ATOM 1364 NZ LYS A 89 -0.328 13.561 -5.409 1.00 0.00 N ATOM 0 H LYS A 89 1.226 8.516 -0.994 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.257 11.034 -0.409 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.136 10.163 -2.885 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.442 10.906 -3.060 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.941 12.481 -1.124 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.108 12.156 -2.389 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.708 13.197 -2.939 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.681 14.246 -2.738 1.00 0.00 H new ATOM 0 HE2 LYS A 89 1.681 13.554 -4.748 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.903 11.984 -4.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -0.061 13.413 -6.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.215 13.056 -5.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.461 14.577 -5.234 1.00 0.00 H new ATOM 1378 N VAL A 90 -2.413 10.033 -1.340 1.00 0.00 N ATOM 1379 CA VAL A 90 -3.694 9.356 -1.460 1.00 0.00 C ATOM 1380 C VAL A 90 -4.486 9.974 -2.613 1.00 0.00 C ATOM 1381 O VAL A 90 -4.723 11.181 -2.632 1.00 0.00 O ATOM 1382 CB VAL A 90 -4.440 9.409 -0.125 1.00 0.00 C ATOM 1383 CG1 VAL A 90 -5.906 9.006 -0.300 1.00 0.00 C ATOM 1384 CG2 VAL A 90 -3.752 8.534 0.923 1.00 0.00 C ATOM 0 H VAL A 90 -2.461 11.050 -1.393 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.549 8.301 -1.694 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.416 10.439 0.231 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.414 9.052 0.664 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.390 9.689 -0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.960 7.990 -0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.303 8.590 1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.730 7.501 0.576 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.732 8.887 1.079 1.00 0.00 H new ATOM 1394 N LYS A 91 -4.874 9.119 -3.548 1.00 0.00 N ATOM 1395 CA LYS A 91 -5.636 9.566 -4.702 1.00 0.00 C ATOM 1396 C LYS A 91 -7.077 9.066 -4.582 1.00 0.00 C ATOM 1397 O LYS A 91 -7.412 8.347 -3.642 1.00 0.00 O ATOM 1398 CB LYS A 91 -4.943 9.140 -5.998 1.00 0.00 C ATOM 1399 CG LYS A 91 -3.896 8.057 -5.730 1.00 0.00 C ATOM 1400 CD LYS A 91 -3.275 7.559 -7.037 1.00 0.00 C ATOM 1401 CE LYS A 91 -2.423 8.649 -7.689 1.00 0.00 C ATOM 1402 NZ LYS A 91 -3.183 9.329 -8.762 1.00 0.00 N ATOM 0 H LYS A 91 -4.675 8.119 -3.530 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.678 10.655 -4.732 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.684 8.767 -6.705 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.467 10.004 -6.461 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.116 8.453 -5.080 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.357 7.223 -5.201 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.660 6.681 -6.840 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.063 7.249 -7.723 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.114 9.376 -6.937 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.514 8.211 -8.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.947 10.342 -8.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.934 8.912 -9.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.202 9.212 -8.593 1.00 0.00 H new ATOM 1416 N THR A 92 -7.890 9.466 -5.548 1.00 0.00 N ATOM 1417 CA THR A 92 -9.288 9.067 -5.562 1.00 0.00 C ATOM 1418 C THR A 92 -9.409 7.545 -5.471 1.00 0.00 C ATOM 1419 O THR A 92 -8.919 6.826 -6.340 1.00 0.00 O ATOM 1420 CB THR A 92 -9.933 9.654 -6.819 1.00 0.00 C ATOM 1421 OG1 THR A 92 -9.840 11.063 -6.632 1.00 0.00 O ATOM 1422 CG2 THR A 92 -11.438 9.385 -6.884 1.00 0.00 C ATOM 0 H THR A 92 -7.608 10.062 -6.326 1.00 0.00 H new ATOM 0 HA THR A 92 -9.820 9.456 -4.694 1.00 0.00 H new ATOM 0 HB THR A 92 -9.451 9.237 -7.703 1.00 0.00 H new ATOM 0 HG1 THR A 92 -10.234 11.522 -7.403 1.00 0.00 H new ATOM 0 HG21 THR A 92 -11.847 9.822 -7.795 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.616 8.310 -6.886 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.925 9.831 -6.017 1.00 0.00 H new ATOM 1430 N ASP A 93 -10.065 7.099 -4.410 1.00 0.00 N ATOM 1431 CA ASP A 93 -10.257 5.675 -4.193 1.00 0.00 C ATOM 1432 C ASP A 93 -8.945 4.939 -4.474 1.00 0.00 C ATOM 1433 O ASP A 93 -8.954 3.817 -4.976 1.00 0.00 O ATOM 1434 CB ASP A 93 -11.325 5.114 -5.134 1.00 0.00 C ATOM 1435 CG ASP A 93 -10.959 5.146 -6.619 1.00 0.00 C ATOM 1436 OD1 ASP A 93 -10.250 4.211 -7.050 1.00 0.00 O ATOM 1437 OD2 ASP A 93 -11.398 6.105 -7.291 1.00 0.00 O ATOM 0 H ASP A 93 -10.470 7.699 -3.691 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.574 5.531 -3.160 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.534 4.083 -4.849 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.247 5.677 -4.990 1.00 0.00 H new ATOM 1442 N THR A 94 -7.848 5.602 -4.136 1.00 0.00 N ATOM 1443 CA THR A 94 -6.531 5.025 -4.346 1.00 0.00 C ATOM 1444 C THR A 94 -5.517 5.647 -3.384 1.00 0.00 C ATOM 1445 O THR A 94 -5.639 6.815 -3.019 1.00 0.00 O ATOM 1446 CB THR A 94 -6.164 5.208 -5.820 1.00 0.00 C ATOM 1447 OG1 THR A 94 -7.086 4.373 -6.515 1.00 0.00 O ATOM 1448 CG2 THR A 94 -4.795 4.615 -6.160 1.00 0.00 C ATOM 0 H THR A 94 -7.845 6.533 -3.718 1.00 0.00 H new ATOM 0 HA THR A 94 -6.527 3.957 -4.126 1.00 0.00 H new ATOM 0 HB THR A 94 -6.172 6.270 -6.066 1.00 0.00 H new ATOM 0 HG1 THR A 94 -7.482 3.731 -5.889 1.00 0.00 H new ATOM 0 HG21 THR A 94 -4.583 4.772 -7.218 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.028 5.104 -5.560 1.00 0.00 H new ATOM 0 HG23 THR A 94 -4.798 3.546 -5.945 1.00 0.00 H new ATOM 1456 N VAL A 95 -4.539 4.839 -3.003 1.00 0.00 N ATOM 1457 CA VAL A 95 -3.504 5.296 -2.091 1.00 0.00 C ATOM 1458 C VAL A 95 -2.144 5.217 -2.788 1.00 0.00 C ATOM 1459 O VAL A 95 -1.678 4.130 -3.125 1.00 0.00 O ATOM 1460 CB VAL A 95 -3.558 4.489 -0.792 1.00 0.00 C ATOM 1461 CG1 VAL A 95 -3.482 2.988 -1.075 1.00 0.00 C ATOM 1462 CG2 VAL A 95 -2.449 4.923 0.169 1.00 0.00 C ATOM 0 H VAL A 95 -4.441 3.871 -3.309 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.669 6.338 -1.818 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.516 4.691 -0.312 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.522 2.438 -0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.322 2.693 -1.704 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.547 2.761 -1.588 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.510 4.334 1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.478 4.765 -0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.568 5.980 0.409 1.00 0.00 H new ATOM 1472 N LEU A 96 -1.546 6.383 -2.983 1.00 0.00 N ATOM 1473 CA LEU A 96 -0.250 6.459 -3.634 1.00 0.00 C ATOM 1474 C LEU A 96 0.853 6.338 -2.581 1.00 0.00 C ATOM 1475 O LEU A 96 0.808 7.009 -1.550 1.00 0.00 O ATOM 1476 CB LEU A 96 -0.151 7.727 -4.485 1.00 0.00 C ATOM 1477 CG LEU A 96 0.131 7.516 -5.974 1.00 0.00 C ATOM 1478 CD1 LEU A 96 0.695 8.787 -6.611 1.00 0.00 C ATOM 1479 CD2 LEU A 96 1.047 6.310 -6.192 1.00 0.00 C ATOM 0 H LEU A 96 -1.935 7.283 -2.701 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.123 5.627 -4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.085 8.280 -4.387 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.637 8.357 -4.072 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.813 7.298 -6.473 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.886 8.609 -7.669 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.025 9.598 -6.504 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.626 9.060 -6.115 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.232 6.182 -7.258 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.993 6.474 -5.677 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.569 5.414 -5.796 1.00 0.00 H new ATOM 1491 N ILE A 97 1.817 5.478 -2.875 1.00 0.00 N ATOM 1492 CA ILE A 97 2.929 5.260 -1.966 1.00 0.00 C ATOM 1493 C ILE A 97 4.232 5.676 -2.652 1.00 0.00 C ATOM 1494 O ILE A 97 4.872 4.865 -3.319 1.00 0.00 O ATOM 1495 CB ILE A 97 2.933 3.816 -1.460 1.00 0.00 C ATOM 1496 CG1 ILE A 97 1.570 3.434 -0.880 1.00 0.00 C ATOM 1497 CG2 ILE A 97 4.067 3.590 -0.458 1.00 0.00 C ATOM 1498 CD1 ILE A 97 1.330 4.131 0.461 1.00 0.00 C ATOM 0 H ILE A 97 1.851 4.924 -3.731 1.00 0.00 H new ATOM 0 HA ILE A 97 2.823 5.883 -1.078 1.00 0.00 H new ATOM 0 HB ILE A 97 3.117 3.157 -2.308 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.782 3.707 -1.582 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.517 2.353 -0.747 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.048 2.556 -0.114 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.024 3.795 -0.939 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.939 4.258 0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.354 3.842 0.852 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.105 3.836 1.168 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.359 5.211 0.320 1.00 0.00 H new ATOM 1510 N LEU A 98 4.585 6.939 -2.465 1.00 0.00 N ATOM 1511 CA LEU A 98 5.800 7.472 -3.057 1.00 0.00 C ATOM 1512 C LEU A 98 7.014 6.916 -2.310 1.00 0.00 C ATOM 1513 O LEU A 98 7.151 7.118 -1.104 1.00 0.00 O ATOM 1514 CB LEU A 98 5.751 9.000 -3.098 1.00 0.00 C ATOM 1515 CG LEU A 98 4.721 9.613 -4.050 1.00 0.00 C ATOM 1516 CD1 LEU A 98 4.378 11.046 -3.637 1.00 0.00 C ATOM 1517 CD2 LEU A 98 5.199 9.533 -5.501 1.00 0.00 C ATOM 0 H LEU A 98 4.051 7.609 -1.912 1.00 0.00 H new ATOM 0 HA LEU A 98 5.889 7.151 -4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.548 9.364 -2.091 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.738 9.368 -3.377 1.00 0.00 H new ATOM 0 HG LEU A 98 3.803 9.030 -3.982 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.644 11.459 -4.330 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.965 11.045 -2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.281 11.657 -3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.449 9.975 -6.156 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.138 10.077 -5.605 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.352 8.490 -5.777 1.00 0.00 H new ATOM 1529 N CYS A 99 7.864 6.226 -3.057 1.00 0.00 N ATOM 1530 CA CYS A 99 9.061 5.639 -2.479 1.00 0.00 C ATOM 1531 C CYS A 99 10.278 6.238 -3.187 1.00 0.00 C ATOM 1532 O CYS A 99 10.503 5.980 -4.368 1.00 0.00 O ATOM 1533 CB CYS A 99 9.043 4.112 -2.570 1.00 0.00 C ATOM 1534 SG CYS A 99 7.872 3.426 -1.342 1.00 0.00 S ATOM 0 H CYS A 99 7.747 6.061 -4.057 1.00 0.00 H new ATOM 0 HA CYS A 99 9.107 5.873 -1.415 1.00 0.00 H new ATOM 0 HB2 CYS A 99 8.753 3.803 -3.574 1.00 0.00 H new ATOM 0 HB3 CYS A 99 10.043 3.717 -2.391 1.00 0.00 H new ATOM 0 HG CYS A 99 7.862 2.129 -1.429 1.00 0.00 H new ATOM 1540 N ARG A 100 11.032 7.026 -2.434 1.00 0.00 N ATOM 1541 CA ARG A 100 12.220 7.664 -2.974 1.00 0.00 C ATOM 1542 C ARG A 100 13.196 6.609 -3.500 1.00 0.00 C ATOM 1543 O ARG A 100 13.261 5.500 -2.972 1.00 0.00 O ATOM 1544 CB ARG A 100 12.922 8.512 -1.911 1.00 0.00 C ATOM 1545 CG ARG A 100 12.440 9.963 -1.962 1.00 0.00 C ATOM 1546 CD ARG A 100 12.508 10.513 -3.388 1.00 0.00 C ATOM 1547 NE ARG A 100 11.166 10.469 -4.012 1.00 0.00 N ATOM 1548 CZ ARG A 100 10.166 11.305 -3.703 1.00 0.00 C ATOM 1549 NH1 ARG A 100 10.350 12.256 -2.776 1.00 0.00 N ATOM 1550 NH2 ARG A 100 8.982 11.191 -4.320 1.00 0.00 N ATOM 0 H ARG A 100 10.843 7.237 -1.454 1.00 0.00 H new ATOM 0 HA ARG A 100 11.905 8.313 -3.791 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.729 8.095 -0.922 1.00 0.00 H new ATOM 0 HB3 ARG A 100 14.000 8.477 -2.067 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.416 10.023 -1.594 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.053 10.577 -1.302 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.878 11.538 -3.374 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.212 9.928 -3.979 1.00 0.00 H new ATOM 0 HE ARG A 100 10.992 9.757 -4.722 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.251 12.343 -2.306 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.589 12.893 -2.541 1.00 0.00 H new ATOM 0 HH21 ARG A 100 8.842 10.467 -5.025 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.221 11.828 -4.084 1.00 0.00 H new ATOM 1564 N LYS A 101 13.930 6.992 -4.535 1.00 0.00 N ATOM 1565 CA LYS A 101 14.899 6.093 -5.138 1.00 0.00 C ATOM 1566 C LYS A 101 16.299 6.442 -4.628 1.00 0.00 C ATOM 1567 O LYS A 101 16.741 7.584 -4.749 1.00 0.00 O ATOM 1568 CB LYS A 101 14.776 6.118 -6.663 1.00 0.00 C ATOM 1569 CG LYS A 101 14.017 4.892 -7.172 1.00 0.00 C ATOM 1570 CD LYS A 101 14.409 4.564 -8.614 1.00 0.00 C ATOM 1571 CE LYS A 101 14.399 3.053 -8.855 1.00 0.00 C ATOM 1572 NZ LYS A 101 13.906 2.748 -10.217 1.00 0.00 N ATOM 0 H LYS A 101 13.873 7.912 -4.971 1.00 0.00 H new ATOM 0 HA LYS A 101 14.699 5.063 -4.842 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.259 7.025 -6.975 1.00 0.00 H new ATOM 0 HB3 LYS A 101 15.769 6.147 -7.111 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.229 4.037 -6.530 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.944 5.075 -7.116 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.717 5.050 -9.302 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.401 4.963 -8.825 1.00 0.00 H new ATOM 0 HE2 LYS A 101 15.404 2.652 -8.728 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.765 2.565 -8.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.617 1.750 -10.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.091 3.356 -10.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.664 2.923 -10.908 1.00 0.00 H new ATOM 1585 N LYS A 102 16.957 5.438 -4.069 1.00 0.00 N ATOM 1586 CA LYS A 102 18.298 5.624 -3.540 1.00 0.00 C ATOM 1587 C LYS A 102 19.254 5.949 -4.689 1.00 0.00 C ATOM 1588 O LYS A 102 20.268 6.616 -4.488 1.00 0.00 O ATOM 1589 CB LYS A 102 18.721 4.409 -2.713 1.00 0.00 C ATOM 1590 CG LYS A 102 19.956 4.725 -1.866 1.00 0.00 C ATOM 1591 CD LYS A 102 20.128 3.701 -0.743 1.00 0.00 C ATOM 1592 CE LYS A 102 21.608 3.413 -0.485 1.00 0.00 C ATOM 1593 NZ LYS A 102 21.780 2.693 0.797 1.00 0.00 N ATOM 0 H LYS A 102 16.587 4.493 -3.971 1.00 0.00 H new ATOM 0 HA LYS A 102 18.323 6.471 -2.855 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.900 4.102 -2.065 1.00 0.00 H new ATOM 0 HB3 LYS A 102 18.935 3.570 -3.375 1.00 0.00 H new ATOM 0 HG2 LYS A 102 20.844 4.729 -2.498 1.00 0.00 H new ATOM 0 HG3 LYS A 102 19.863 5.724 -1.441 1.00 0.00 H new ATOM 0 HD2 LYS A 102 19.662 4.075 0.169 1.00 0.00 H new ATOM 0 HD3 LYS A 102 19.615 2.776 -1.007 1.00 0.00 H new ATOM 0 HE2 LYS A 102 22.016 2.817 -1.301 1.00 0.00 H new ATOM 0 HE3 LYS A 102 22.168 4.348 -0.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 22.790 2.505 0.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 21.409 3.275 1.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 21.262 1.792 0.761 1.00 0.00 H new ATOM 1607 N VAL A 103 18.897 5.463 -5.869 1.00 0.00 N ATOM 1608 CA VAL A 103 19.711 5.694 -7.050 1.00 0.00 C ATOM 1609 C VAL A 103 18.809 5.739 -8.285 1.00 0.00 C ATOM 1610 O VAL A 103 18.178 4.743 -8.635 1.00 0.00 O ATOM 1611 CB VAL A 103 20.805 4.629 -7.148 1.00 0.00 C ATOM 1612 CG1 VAL A 103 20.568 3.505 -6.138 1.00 0.00 C ATOM 1613 CG2 VAL A 103 20.906 4.075 -8.571 1.00 0.00 C ATOM 0 H VAL A 103 18.055 4.910 -6.032 1.00 0.00 H new ATOM 0 HA VAL A 103 20.218 6.657 -6.982 1.00 0.00 H new ATOM 0 HB VAL A 103 21.756 5.103 -6.905 1.00 0.00 H new ATOM 0 HG11 VAL A 103 21.360 2.761 -6.229 1.00 0.00 H new ATOM 0 HG12 VAL A 103 20.570 3.916 -5.129 1.00 0.00 H new ATOM 0 HG13 VAL A 103 19.605 3.035 -6.336 1.00 0.00 H new ATOM 0 HG21 VAL A 103 21.691 3.320 -8.613 1.00 0.00 H new ATOM 0 HG22 VAL A 103 19.955 3.625 -8.855 1.00 0.00 H new ATOM 0 HG23 VAL A 103 21.144 4.885 -9.261 1.00 0.00 H new ATOM 1623 N GLU A 104 18.775 6.906 -8.912 1.00 0.00 N ATOM 1624 CA GLU A 104 17.961 7.095 -10.100 1.00 0.00 C ATOM 1625 C GLU A 104 18.522 6.276 -11.264 1.00 0.00 C ATOM 1626 O GLU A 104 19.605 5.701 -11.158 1.00 0.00 O ATOM 1627 CB GLU A 104 17.863 8.576 -10.469 1.00 0.00 C ATOM 1628 CG GLU A 104 17.411 9.411 -9.268 1.00 0.00 C ATOM 1629 CD GLU A 104 18.614 9.955 -8.495 1.00 0.00 C ATOM 1630 OE1 GLU A 104 19.506 10.525 -9.161 1.00 0.00 O ATOM 1631 OE2 GLU A 104 18.615 9.790 -7.256 1.00 0.00 O ATOM 0 H GLU A 104 19.299 7.731 -8.619 1.00 0.00 H new ATOM 0 HA GLU A 104 16.953 6.741 -9.885 1.00 0.00 H new ATOM 0 HB2 GLU A 104 18.832 8.932 -10.820 1.00 0.00 H new ATOM 0 HB3 GLU A 104 17.159 8.704 -11.291 1.00 0.00 H new ATOM 0 HG2 GLU A 104 16.789 10.239 -9.609 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.795 8.801 -8.607 1.00 0.00 H new ATOM 1638 N ASN A 105 17.762 6.249 -12.349 1.00 0.00 N ATOM 1639 CA ASN A 105 18.170 5.511 -13.531 1.00 0.00 C ATOM 1640 C ASN A 105 18.322 4.030 -13.176 1.00 0.00 C ATOM 1641 O ASN A 105 19.367 3.432 -13.425 1.00 0.00 O ATOM 1642 CB ASN A 105 19.518 6.012 -14.055 1.00 0.00 C ATOM 1643 CG ASN A 105 19.343 7.276 -14.899 1.00 0.00 C ATOM 1644 OD1 ASN A 105 18.257 7.610 -15.345 1.00 0.00 O ATOM 1645 ND2 ASN A 105 20.468 7.957 -15.092 1.00 0.00 N ATOM 0 H ASN A 105 16.865 6.727 -12.434 1.00 0.00 H new ATOM 0 HA ASN A 105 17.409 5.655 -14.298 1.00 0.00 H new ATOM 0 HB2 ASN A 105 20.184 6.219 -13.217 1.00 0.00 H new ATOM 0 HB3 ASN A 105 19.992 5.234 -14.653 1.00 0.00 H new ATOM 0 HD21 ASN A 105 20.456 8.816 -15.642 1.00 0.00 H new ATOM 0 HD22 ASN A 105 21.343 7.621 -14.690 1.00 0.00 H new ATOM 1652 N THR A 106 17.262 3.482 -12.600 1.00 0.00 N ATOM 1653 CA THR A 106 17.264 2.083 -12.207 1.00 0.00 C ATOM 1654 C THR A 106 15.924 1.430 -12.553 1.00 0.00 C ATOM 1655 O THR A 106 14.877 2.070 -12.466 1.00 0.00 O ATOM 1656 CB THR A 106 17.610 2.010 -10.719 1.00 0.00 C ATOM 1657 OG1 THR A 106 19.031 1.905 -10.697 1.00 0.00 O ATOM 1658 CG2 THR A 106 17.131 0.709 -10.070 1.00 0.00 C ATOM 0 H THR A 106 16.396 3.981 -12.396 1.00 0.00 H new ATOM 0 HA THR A 106 18.016 1.518 -12.758 1.00 0.00 H new ATOM 0 HB THR A 106 17.166 2.860 -10.201 1.00 0.00 H new ATOM 0 HG1 THR A 106 19.401 2.304 -11.512 1.00 0.00 H new ATOM 0 HG21 THR A 106 17.402 0.708 -9.014 1.00 0.00 H new ATOM 0 HG22 THR A 106 16.048 0.631 -10.167 1.00 0.00 H new ATOM 0 HG23 THR A 106 17.602 -0.140 -10.566 1.00 0.00 H new ATOM 1666 N ARG A 107 16.000 0.165 -12.938 1.00 0.00 N ATOM 1667 CA ARG A 107 14.807 -0.582 -13.297 1.00 0.00 C ATOM 1668 C ARG A 107 14.445 -1.570 -12.187 1.00 0.00 C ATOM 1669 O ARG A 107 15.327 -2.132 -11.539 1.00 0.00 O ATOM 1670 CB ARG A 107 15.009 -1.347 -14.606 1.00 0.00 C ATOM 1671 CG ARG A 107 13.729 -1.345 -15.445 1.00 0.00 C ATOM 1672 CD ARG A 107 13.570 -0.024 -16.199 1.00 0.00 C ATOM 1673 NE ARG A 107 12.137 0.329 -16.305 1.00 0.00 N ATOM 1674 CZ ARG A 107 11.683 1.486 -16.807 1.00 0.00 C ATOM 1675 NH1 ARG A 107 12.547 2.407 -17.254 1.00 0.00 N ATOM 1676 NH2 ARG A 107 10.365 1.720 -16.864 1.00 0.00 N ATOM 0 H ARG A 107 16.870 -0.362 -13.009 1.00 0.00 H new ATOM 0 HA ARG A 107 13.995 0.134 -13.430 1.00 0.00 H new ATOM 0 HB2 ARG A 107 15.821 -0.894 -15.174 1.00 0.00 H new ATOM 0 HB3 ARG A 107 15.305 -2.374 -14.390 1.00 0.00 H new ATOM 0 HG2 ARG A 107 13.754 -2.172 -16.154 1.00 0.00 H new ATOM 0 HG3 ARG A 107 12.866 -1.505 -14.799 1.00 0.00 H new ATOM 0 HD2 ARG A 107 14.111 0.768 -15.680 1.00 0.00 H new ATOM 0 HD3 ARG A 107 14.007 -0.109 -17.194 1.00 0.00 H new ATOM 0 HE ARG A 107 11.452 -0.351 -15.975 1.00 0.00 H new ATOM 0 HH11 ARG A 107 13.550 2.228 -17.212 1.00 0.00 H new ATOM 0 HH12 ARG A 107 12.202 3.287 -17.636 1.00 0.00 H new ATOM 0 HH21 ARG A 107 9.707 1.018 -16.525 1.00 0.00 H new ATOM 0 HH22 ARG A 107 10.019 2.600 -17.246 1.00 0.00 H new ATOM 1690 N TRP A 108 13.145 -1.752 -12.001 1.00 0.00 N ATOM 1691 CA TRP A 108 12.656 -2.663 -10.980 1.00 0.00 C ATOM 1692 C TRP A 108 11.969 -3.836 -11.683 1.00 0.00 C ATOM 1693 O TRP A 108 10.810 -3.732 -12.081 1.00 0.00 O ATOM 1694 CB TRP A 108 11.740 -1.938 -9.992 1.00 0.00 C ATOM 1695 CG TRP A 108 12.485 -1.090 -8.960 1.00 0.00 C ATOM 1696 CD1 TRP A 108 13.615 -0.389 -9.128 1.00 0.00 C ATOM 1697 CD2 TRP A 108 12.104 -0.880 -7.583 1.00 0.00 C ATOM 1698 NE1 TRP A 108 13.989 0.255 -7.966 1.00 0.00 N ATOM 1699 CE2 TRP A 108 13.041 -0.053 -6.997 1.00 0.00 C ATOM 1700 CE3 TRP A 108 11.005 -1.372 -6.858 1.00 0.00 C ATOM 1701 CZ2 TRP A 108 12.974 0.354 -5.659 1.00 0.00 C ATOM 1702 CZ3 TRP A 108 10.952 -0.956 -5.522 1.00 0.00 C ATOM 1703 CH2 TRP A 108 11.887 -0.124 -4.917 1.00 0.00 C ATOM 0 H TRP A 108 12.416 -1.284 -12.540 1.00 0.00 H new ATOM 0 HA TRP A 108 13.480 -3.051 -10.381 1.00 0.00 H new ATOM 0 HB2 TRP A 108 11.057 -1.297 -10.549 1.00 0.00 H new ATOM 0 HB3 TRP A 108 11.130 -2.675 -9.469 1.00 0.00 H new ATOM 0 HD1 TRP A 108 14.164 -0.335 -10.056 1.00 0.00 H new ATOM 0 HE1 TRP A 108 14.810 0.848 -7.841 1.00 0.00 H new ATOM 0 HE3 TRP A 108 10.260 -2.020 -7.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 13.720 1.002 -5.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 10.127 -1.306 -4.919 1.00 0.00 H new ATOM 0 HH2 TRP A 108 11.775 0.153 -3.879 1.00 0.00 H new ATOM 1714 N ASP A 109 12.713 -4.924 -11.813 1.00 0.00 N ATOM 1715 CA ASP A 109 12.190 -6.115 -12.461 1.00 0.00 C ATOM 1716 C ASP A 109 11.040 -6.680 -11.626 1.00 0.00 C ATOM 1717 O ASP A 109 10.241 -7.475 -12.121 1.00 0.00 O ATOM 1718 CB ASP A 109 13.266 -7.196 -12.577 1.00 0.00 C ATOM 1719 CG ASP A 109 14.455 -6.833 -13.470 1.00 0.00 C ATOM 1720 OD1 ASP A 109 14.558 -5.637 -13.819 1.00 0.00 O ATOM 1721 OD2 ASP A 109 15.233 -7.759 -13.783 1.00 0.00 O ATOM 0 H ASP A 109 13.674 -5.006 -11.481 1.00 0.00 H new ATOM 0 HA ASP A 109 11.851 -5.836 -13.459 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.638 -7.426 -11.578 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.806 -8.106 -12.963 1.00 0.00 H new ATOM 1726 N TYR A 110 10.991 -6.249 -10.375 1.00 0.00 N ATOM 1727 CA TYR A 110 9.952 -6.703 -9.467 1.00 0.00 C ATOM 1728 C TYR A 110 9.836 -5.773 -8.257 1.00 0.00 C ATOM 1729 O TYR A 110 10.832 -5.211 -7.804 1.00 0.00 O ATOM 1730 CB TYR A 110 10.385 -8.090 -8.989 1.00 0.00 C ATOM 1731 CG TYR A 110 10.785 -9.041 -10.119 1.00 0.00 C ATOM 1732 CD1 TYR A 110 9.826 -9.815 -10.741 1.00 0.00 C ATOM 1733 CD2 TYR A 110 12.104 -9.124 -10.517 1.00 0.00 C ATOM 1734 CE1 TYR A 110 10.203 -10.710 -11.805 1.00 0.00 C ATOM 1735 CE2 TYR A 110 12.480 -10.018 -11.581 1.00 0.00 C ATOM 1736 CZ TYR A 110 11.511 -10.767 -12.172 1.00 0.00 C ATOM 1737 OH TYR A 110 11.867 -11.612 -13.177 1.00 0.00 O ATOM 0 H TYR A 110 11.654 -5.590 -9.968 1.00 0.00 H new ATOM 0 HA TYR A 110 8.984 -6.717 -9.968 1.00 0.00 H new ATOM 0 HB2 TYR A 110 11.227 -7.981 -8.305 1.00 0.00 H new ATOM 0 HB3 TYR A 110 9.569 -8.539 -8.422 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.794 -9.750 -10.430 1.00 0.00 H new ATOM 0 HD2 TYR A 110 12.854 -8.518 -10.030 1.00 0.00 H new ATOM 0 HE1 TYR A 110 9.463 -11.322 -12.300 1.00 0.00 H new ATOM 0 HE2 TYR A 110 13.508 -10.092 -11.903 1.00 0.00 H new ATOM 0 HH TYR A 110 12.832 -11.547 -13.333 1.00 0.00 H new ATOM 1747 N LEU A 111 8.612 -5.640 -7.767 1.00 0.00 N ATOM 1748 CA LEU A 111 8.354 -4.788 -6.619 1.00 0.00 C ATOM 1749 C LEU A 111 9.259 -5.213 -5.461 1.00 0.00 C ATOM 1750 O LEU A 111 9.858 -4.369 -4.795 1.00 0.00 O ATOM 1751 CB LEU A 111 6.864 -4.797 -6.270 1.00 0.00 C ATOM 1752 CG LEU A 111 6.297 -3.487 -5.720 1.00 0.00 C ATOM 1753 CD1 LEU A 111 4.867 -3.679 -5.211 1.00 0.00 C ATOM 1754 CD2 LEU A 111 7.214 -2.901 -4.644 1.00 0.00 C ATOM 0 H LEU A 111 7.788 -6.108 -8.144 1.00 0.00 H new ATOM 0 HA LEU A 111 8.598 -3.751 -6.851 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.303 -5.065 -7.165 1.00 0.00 H new ATOM 0 HB3 LEU A 111 6.688 -5.583 -5.536 1.00 0.00 H new ATOM 0 HG LEU A 111 6.255 -2.765 -6.535 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.488 -2.733 -4.825 1.00 0.00 H new ATOM 0 HD12 LEU A 111 4.232 -4.018 -6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.861 -4.423 -4.415 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.788 -1.970 -4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.312 -3.611 -3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.197 -2.704 -5.072 1.00 0.00 H new ATOM 1766 N THR A 112 9.330 -6.520 -5.255 1.00 0.00 N ATOM 1767 CA THR A 112 10.152 -7.066 -4.189 1.00 0.00 C ATOM 1768 C THR A 112 11.050 -8.182 -4.727 1.00 0.00 C ATOM 1769 O THR A 112 10.747 -8.788 -5.753 1.00 0.00 O ATOM 1770 CB THR A 112 9.223 -7.524 -3.063 1.00 0.00 C ATOM 1771 OG1 THR A 112 8.184 -8.231 -3.736 1.00 0.00 O ATOM 1772 CG2 THR A 112 8.502 -6.356 -2.387 1.00 0.00 C ATOM 0 H THR A 112 8.831 -7.217 -5.809 1.00 0.00 H new ATOM 0 HA THR A 112 10.829 -6.313 -3.786 1.00 0.00 H new ATOM 0 HB THR A 112 9.799 -8.074 -2.319 1.00 0.00 H new ATOM 0 HG1 THR A 112 7.460 -8.426 -3.106 1.00 0.00 H new ATOM 0 HG21 THR A 112 7.856 -6.736 -1.596 1.00 0.00 H new ATOM 0 HG22 THR A 112 9.236 -5.674 -1.959 1.00 0.00 H new ATOM 0 HG23 THR A 112 7.899 -5.825 -3.124 1.00 0.00 H new ATOM 1780 N GLN A 113 12.139 -8.419 -4.009 1.00 0.00 N ATOM 1781 CA GLN A 113 13.084 -9.451 -4.401 1.00 0.00 C ATOM 1782 C GLN A 113 12.397 -10.818 -4.424 1.00 0.00 C ATOM 1783 O GLN A 113 12.670 -11.639 -5.298 1.00 0.00 O ATOM 1784 CB GLN A 113 14.299 -9.463 -3.472 1.00 0.00 C ATOM 1785 CG GLN A 113 15.105 -8.169 -3.608 1.00 0.00 C ATOM 1786 CD GLN A 113 16.560 -8.383 -3.186 1.00 0.00 C ATOM 1787 OE1 GLN A 113 16.855 -8.907 -2.124 1.00 0.00 O ATOM 1788 NE2 GLN A 113 17.450 -7.949 -4.074 1.00 0.00 N ATOM 0 H GLN A 113 12.388 -7.914 -3.158 1.00 0.00 H new ATOM 0 HA GLN A 113 13.440 -9.228 -5.407 1.00 0.00 H new ATOM 0 HB2 GLN A 113 13.971 -9.585 -2.440 1.00 0.00 H new ATOM 0 HB3 GLN A 113 14.933 -10.317 -3.708 1.00 0.00 H new ATOM 0 HG2 GLN A 113 15.069 -7.821 -4.640 1.00 0.00 H new ATOM 0 HG3 GLN A 113 14.655 -7.390 -2.993 1.00 0.00 H new ATOM 0 HE21 GLN A 113 17.135 -7.520 -4.944 1.00 0.00 H new ATOM 0 HE22 GLN A 113 18.448 -8.046 -3.885 1.00 0.00 H new ATOM 1797 N VAL A 114 11.520 -11.020 -3.452 1.00 0.00 N ATOM 1798 CA VAL A 114 10.793 -12.274 -3.349 1.00 0.00 C ATOM 1799 C VAL A 114 10.393 -12.743 -4.749 1.00 0.00 C ATOM 1800 O VAL A 114 10.838 -13.795 -5.205 1.00 0.00 O ATOM 1801 CB VAL A 114 9.596 -12.109 -2.410 1.00 0.00 C ATOM 1802 CG1 VAL A 114 8.818 -10.832 -2.732 1.00 0.00 C ATOM 1803 CG2 VAL A 114 8.683 -13.336 -2.464 1.00 0.00 C ATOM 0 H VAL A 114 11.296 -10.337 -2.729 1.00 0.00 H new ATOM 0 HA VAL A 114 11.426 -13.048 -2.915 1.00 0.00 H new ATOM 0 HB VAL A 114 9.978 -12.021 -1.393 1.00 0.00 H new ATOM 0 HG11 VAL A 114 7.973 -10.739 -2.050 1.00 0.00 H new ATOM 0 HG12 VAL A 114 9.473 -9.968 -2.618 1.00 0.00 H new ATOM 0 HG13 VAL A 114 8.453 -10.877 -3.758 1.00 0.00 H new ATOM 0 HG21 VAL A 114 7.840 -13.193 -1.788 1.00 0.00 H new ATOM 0 HG22 VAL A 114 8.313 -13.470 -3.481 1.00 0.00 H new ATOM 0 HG23 VAL A 114 9.244 -14.221 -2.162 1.00 0.00 H new ATOM 1813 N GLU A 115 9.559 -11.940 -5.392 1.00 0.00 N ATOM 1814 CA GLU A 115 9.095 -12.260 -6.731 1.00 0.00 C ATOM 1815 C GLU A 115 10.276 -12.642 -7.625 1.00 0.00 C ATOM 1816 O GLU A 115 10.265 -13.696 -8.258 1.00 0.00 O ATOM 1817 CB GLU A 115 8.307 -11.094 -7.332 1.00 0.00 C ATOM 1818 CG GLU A 115 7.398 -11.572 -8.466 1.00 0.00 C ATOM 1819 CD GLU A 115 6.445 -10.461 -8.911 1.00 0.00 C ATOM 1820 OE1 GLU A 115 6.193 -9.563 -8.079 1.00 0.00 O ATOM 1821 OE2 GLU A 115 5.991 -10.535 -10.073 1.00 0.00 O ATOM 0 H GLU A 115 9.192 -11.068 -5.011 1.00 0.00 H new ATOM 0 HA GLU A 115 8.422 -13.115 -6.666 1.00 0.00 H new ATOM 0 HB2 GLU A 115 7.707 -10.618 -6.556 1.00 0.00 H new ATOM 0 HB3 GLU A 115 8.998 -10.340 -7.709 1.00 0.00 H new ATOM 0 HG2 GLU A 115 8.005 -11.895 -9.312 1.00 0.00 H new ATOM 0 HG3 GLU A 115 6.824 -12.438 -8.136 1.00 0.00 H new ATOM 1828 N LYS A 116 11.267 -11.763 -7.649 1.00 0.00 N ATOM 1829 CA LYS A 116 12.454 -11.995 -8.455 1.00 0.00 C ATOM 1830 C LYS A 116 12.978 -13.407 -8.189 1.00 0.00 C ATOM 1831 O LYS A 116 12.918 -14.271 -9.062 1.00 0.00 O ATOM 1832 CB LYS A 116 13.491 -10.897 -8.210 1.00 0.00 C ATOM 1833 CG LYS A 116 14.787 -11.188 -8.970 1.00 0.00 C ATOM 1834 CD LYS A 116 15.877 -10.179 -8.600 1.00 0.00 C ATOM 1835 CE LYS A 116 16.682 -10.661 -7.392 1.00 0.00 C ATOM 1836 NZ LYS A 116 17.884 -9.818 -7.202 1.00 0.00 N ATOM 0 H LYS A 116 11.273 -10.889 -7.123 1.00 0.00 H new ATOM 0 HA LYS A 116 12.211 -11.940 -9.516 1.00 0.00 H new ATOM 0 HB2 LYS A 116 13.088 -9.934 -8.526 1.00 0.00 H new ATOM 0 HB3 LYS A 116 13.700 -10.821 -7.143 1.00 0.00 H new ATOM 0 HG2 LYS A 116 15.128 -12.198 -8.741 1.00 0.00 H new ATOM 0 HG3 LYS A 116 14.600 -11.150 -10.043 1.00 0.00 H new ATOM 0 HD2 LYS A 116 16.543 -10.030 -9.450 1.00 0.00 H new ATOM 0 HD3 LYS A 116 15.423 -9.213 -8.377 1.00 0.00 H new ATOM 0 HE2 LYS A 116 16.061 -10.627 -6.497 1.00 0.00 H new ATOM 0 HE3 LYS A 116 16.978 -11.700 -7.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 18.420 -10.158 -6.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 18.483 -9.871 -8.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 17.595 -8.832 -7.044 1.00 0.00 H new ATOM 1850 N GLU A 117 13.481 -13.598 -6.978 1.00 0.00 N ATOM 1851 CA GLU A 117 14.015 -14.891 -6.585 1.00 0.00 C ATOM 1852 C GLU A 117 13.157 -16.018 -7.163 1.00 0.00 C ATOM 1853 O GLU A 117 13.622 -16.790 -8.000 1.00 0.00 O ATOM 1854 CB GLU A 117 14.115 -15.004 -5.063 1.00 0.00 C ATOM 1855 CG GLU A 117 15.392 -14.338 -4.546 1.00 0.00 C ATOM 1856 CD GLU A 117 16.631 -15.141 -4.951 1.00 0.00 C ATOM 1857 OE1 GLU A 117 16.913 -16.139 -4.254 1.00 0.00 O ATOM 1858 OE2 GLU A 117 17.268 -14.737 -5.948 1.00 0.00 O ATOM 0 H GLU A 117 13.530 -12.879 -6.256 1.00 0.00 H new ATOM 0 HA GLU A 117 15.023 -14.984 -6.990 1.00 0.00 H new ATOM 0 HB2 GLU A 117 13.245 -14.537 -4.602 1.00 0.00 H new ATOM 0 HB3 GLU A 117 14.105 -16.054 -4.771 1.00 0.00 H new ATOM 0 HG2 GLU A 117 15.465 -13.325 -4.943 1.00 0.00 H new ATOM 0 HG3 GLU A 117 15.348 -14.253 -3.460 1.00 0.00 H new ATOM 1865 N CYS A 118 11.920 -16.077 -6.693 1.00 0.00 N ATOM 1866 CA CYS A 118 10.993 -17.097 -7.153 1.00 0.00 C ATOM 1867 C CYS A 118 11.016 -17.113 -8.683 1.00 0.00 C ATOM 1868 O CYS A 118 11.376 -18.120 -9.291 1.00 0.00 O ATOM 1869 CB CYS A 118 9.582 -16.867 -6.606 1.00 0.00 C ATOM 1870 SG CYS A 118 8.685 -18.459 -6.500 1.00 0.00 S ATOM 0 H CYS A 118 11.538 -15.435 -5.998 1.00 0.00 H new ATOM 0 HA CYS A 118 11.304 -18.071 -6.776 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.636 -16.404 -5.621 1.00 0.00 H new ATOM 0 HB3 CYS A 118 9.040 -16.177 -7.253 1.00 0.00 H new ATOM 0 HG CYS A 118 7.490 -18.253 -6.033 1.00 0.00 H new ATOM 1876 N LYS A 119 10.628 -15.986 -9.261 1.00 0.00 N ATOM 1877 CA LYS A 119 10.600 -15.857 -10.708 1.00 0.00 C ATOM 1878 C LYS A 119 11.846 -16.519 -11.298 1.00 0.00 C ATOM 1879 O LYS A 119 11.743 -17.499 -12.035 1.00 0.00 O ATOM 1880 CB LYS A 119 10.431 -14.392 -11.113 1.00 0.00 C ATOM 1881 CG LYS A 119 9.000 -13.914 -10.861 1.00 0.00 C ATOM 1882 CD LYS A 119 8.025 -14.562 -11.847 1.00 0.00 C ATOM 1883 CE LYS A 119 7.241 -15.693 -11.179 1.00 0.00 C ATOM 1884 NZ LYS A 119 7.216 -16.891 -12.048 1.00 0.00 N ATOM 0 H LYS A 119 10.330 -15.153 -8.753 1.00 0.00 H new ATOM 0 HA LYS A 119 9.736 -16.378 -11.120 1.00 0.00 H new ATOM 0 HB2 LYS A 119 11.129 -13.773 -10.550 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.678 -14.272 -12.168 1.00 0.00 H new ATOM 0 HG2 LYS A 119 8.706 -14.157 -9.840 1.00 0.00 H new ATOM 0 HG3 LYS A 119 8.953 -12.829 -10.957 1.00 0.00 H new ATOM 0 HD2 LYS A 119 7.333 -13.810 -12.227 1.00 0.00 H new ATOM 0 HD3 LYS A 119 8.574 -14.952 -12.704 1.00 0.00 H new ATOM 0 HE2 LYS A 119 7.696 -15.942 -10.220 1.00 0.00 H new ATOM 0 HE3 LYS A 119 6.222 -15.365 -10.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 6.339 -17.424 -11.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 7.257 -16.598 -13.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 8.034 -17.495 -11.831 1.00 0.00 H new ATOM 1898 N GLU A 120 12.995 -15.958 -10.953 1.00 0.00 N ATOM 1899 CA GLU A 120 14.260 -16.481 -11.440 1.00 0.00 C ATOM 1900 C GLU A 120 14.797 -17.548 -10.483 1.00 0.00 C ATOM 1901 O GLU A 120 15.542 -17.237 -9.556 1.00 0.00 O ATOM 1902 CB GLU A 120 15.280 -15.357 -11.635 1.00 0.00 C ATOM 1903 CG GLU A 120 14.874 -14.444 -12.793 1.00 0.00 C ATOM 1904 CD GLU A 120 15.488 -14.922 -14.111 1.00 0.00 C ATOM 1905 OE1 GLU A 120 16.707 -15.199 -14.101 1.00 0.00 O ATOM 1906 OE2 GLU A 120 14.725 -14.999 -15.097 1.00 0.00 O ATOM 0 H GLU A 120 13.077 -15.146 -10.341 1.00 0.00 H new ATOM 0 HA GLU A 120 14.089 -16.944 -12.412 1.00 0.00 H new ATOM 0 HB2 GLU A 120 15.363 -14.773 -10.718 1.00 0.00 H new ATOM 0 HB3 GLU A 120 16.264 -15.784 -11.831 1.00 0.00 H new ATOM 0 HG2 GLU A 120 13.788 -14.423 -12.880 1.00 0.00 H new ATOM 0 HG3 GLU A 120 15.197 -13.424 -12.586 1.00 0.00 H new ATOM 1913 N LYS A 121 14.396 -18.784 -10.742 1.00 0.00 N ATOM 1914 CA LYS A 121 14.828 -19.899 -9.916 1.00 0.00 C ATOM 1915 C LYS A 121 16.270 -20.263 -10.271 1.00 0.00 C ATOM 1916 O LYS A 121 16.705 -20.059 -11.403 1.00 0.00 O ATOM 1917 CB LYS A 121 13.849 -21.068 -10.041 1.00 0.00 C ATOM 1918 CG LYS A 121 12.793 -21.020 -8.935 1.00 0.00 C ATOM 1919 CD LYS A 121 12.745 -22.340 -8.164 1.00 0.00 C ATOM 1920 CE LYS A 121 13.822 -22.379 -7.077 1.00 0.00 C ATOM 1921 NZ LYS A 121 13.212 -22.638 -5.753 1.00 0.00 N ATOM 0 H LYS A 121 13.777 -19.038 -11.512 1.00 0.00 H new ATOM 0 HA LYS A 121 14.821 -19.619 -8.863 1.00 0.00 H new ATOM 0 HB2 LYS A 121 13.362 -21.036 -11.015 1.00 0.00 H new ATOM 0 HB3 LYS A 121 14.394 -22.011 -9.988 1.00 0.00 H new ATOM 0 HG2 LYS A 121 13.016 -20.202 -8.250 1.00 0.00 H new ATOM 0 HG3 LYS A 121 11.815 -20.813 -9.370 1.00 0.00 H new ATOM 0 HD2 LYS A 121 11.761 -22.465 -7.711 1.00 0.00 H new ATOM 0 HD3 LYS A 121 12.888 -23.173 -8.852 1.00 0.00 H new ATOM 0 HE2 LYS A 121 14.551 -23.156 -7.307 1.00 0.00 H new ATOM 0 HE3 LYS A 121 14.361 -21.432 -7.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 13.956 -22.661 -5.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 12.534 -21.882 -5.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 12.717 -23.553 -5.772 1.00 0.00 H new ATOM 1935 N SER A 122 16.973 -20.797 -9.282 1.00 0.00 N ATOM 1936 CA SER A 122 18.358 -21.192 -9.476 1.00 0.00 C ATOM 1937 C SER A 122 18.430 -22.667 -9.877 1.00 0.00 C ATOM 1938 O SER A 122 17.599 -23.470 -9.455 1.00 0.00 O ATOM 1939 CB SER A 122 19.183 -20.944 -8.212 1.00 0.00 C ATOM 1940 OG SER A 122 19.816 -19.668 -8.229 1.00 0.00 O ATOM 0 H SER A 122 16.609 -20.965 -8.344 1.00 0.00 H new ATOM 0 HA SER A 122 18.779 -20.584 -10.277 1.00 0.00 H new ATOM 0 HB2 SER A 122 18.537 -21.016 -7.337 1.00 0.00 H new ATOM 0 HB3 SER A 122 19.940 -21.723 -8.114 1.00 0.00 H new ATOM 0 HG SER A 122 20.331 -19.547 -7.404 1.00 0.00 H new ATOM 1946 N GLY A 123 19.431 -22.978 -10.687 1.00 0.00 N ATOM 1947 CA GLY A 123 19.623 -24.342 -11.150 1.00 0.00 C ATOM 1948 C GLY A 123 19.927 -24.375 -12.649 1.00 0.00 C ATOM 1949 O GLY A 123 20.939 -23.835 -13.092 1.00 0.00 O ATOM 0 H GLY A 123 20.118 -22.309 -11.035 1.00 0.00 H new ATOM 0 HA2 GLY A 123 20.442 -24.805 -10.599 1.00 0.00 H new ATOM 0 HA3 GLY A 123 18.728 -24.929 -10.944 1.00 0.00 H new ATOM 1953 N PRO A 124 19.009 -25.032 -13.408 1.00 0.00 N ATOM 1954 CA PRO A 124 19.170 -25.142 -14.847 1.00 0.00 C ATOM 1955 C PRO A 124 18.844 -23.817 -15.539 1.00 0.00 C ATOM 1956 O PRO A 124 17.827 -23.702 -16.221 1.00 0.00 O ATOM 1957 CB PRO A 124 18.241 -26.272 -15.261 1.00 0.00 C ATOM 1958 CG PRO A 124 17.254 -26.441 -14.117 1.00 0.00 C ATOM 1959 CD PRO A 124 17.799 -25.684 -12.917 1.00 0.00 C ATOM 0 HA PRO A 124 20.197 -25.360 -15.140 1.00 0.00 H new ATOM 0 HB2 PRO A 124 17.724 -26.032 -16.190 1.00 0.00 H new ATOM 0 HB3 PRO A 124 18.799 -27.192 -15.435 1.00 0.00 H new ATOM 0 HG2 PRO A 124 16.274 -26.056 -14.398 1.00 0.00 H new ATOM 0 HG3 PRO A 124 17.125 -27.496 -13.877 1.00 0.00 H new ATOM 0 HD2 PRO A 124 17.078 -24.954 -12.548 1.00 0.00 H new ATOM 0 HD3 PRO A 124 18.021 -26.359 -12.090 1.00 0.00 H new ATOM 1967 N SER A 125 19.727 -22.849 -15.338 1.00 0.00 N ATOM 1968 CA SER A 125 19.546 -21.536 -15.934 1.00 0.00 C ATOM 1969 C SER A 125 20.864 -20.761 -15.901 1.00 0.00 C ATOM 1970 O SER A 125 21.597 -20.817 -14.915 1.00 0.00 O ATOM 1971 CB SER A 125 18.449 -20.750 -15.212 1.00 0.00 C ATOM 1972 OG SER A 125 18.904 -20.216 -13.972 1.00 0.00 O ATOM 0 H SER A 125 20.569 -22.948 -14.771 1.00 0.00 H new ATOM 0 HA SER A 125 19.237 -21.670 -16.971 1.00 0.00 H new ATOM 0 HB2 SER A 125 18.104 -19.938 -15.852 1.00 0.00 H new ATOM 0 HB3 SER A 125 17.593 -21.401 -15.034 1.00 0.00 H new ATOM 0 HG SER A 125 18.176 -19.720 -13.542 1.00 0.00 H new ATOM 1978 N SER A 126 21.126 -20.054 -16.991 1.00 0.00 N ATOM 1979 CA SER A 126 22.343 -19.268 -17.100 1.00 0.00 C ATOM 1980 C SER A 126 22.044 -17.797 -16.805 1.00 0.00 C ATOM 1981 O SER A 126 21.206 -17.186 -17.467 1.00 0.00 O ATOM 1982 CB SER A 126 22.972 -19.415 -18.487 1.00 0.00 C ATOM 1983 OG SER A 126 22.120 -18.915 -19.514 1.00 0.00 O ATOM 0 H SER A 126 20.515 -20.009 -17.807 1.00 0.00 H new ATOM 0 HA SER A 126 23.058 -19.641 -16.366 1.00 0.00 H new ATOM 0 HB2 SER A 126 23.922 -18.882 -18.513 1.00 0.00 H new ATOM 0 HB3 SER A 126 23.191 -20.466 -18.677 1.00 0.00 H new ATOM 0 HG SER A 126 21.617 -18.145 -19.176 1.00 0.00 H new ATOM 1989 N GLY A 127 22.745 -17.271 -15.812 1.00 0.00 N ATOM 1990 CA GLY A 127 22.565 -15.882 -15.422 1.00 0.00 C ATOM 1991 C GLY A 127 23.620 -15.459 -14.398 1.00 0.00 C ATOM 1992 O GLY A 127 24.724 -16.002 -14.378 1.00 0.00 O ATOM 0 H GLY A 127 23.439 -17.781 -15.265 1.00 0.00 H new ATOM 0 HA2 GLY A 127 22.630 -15.242 -16.302 1.00 0.00 H new ATOM 0 HA3 GLY A 127 21.569 -15.745 -15.001 1.00 0.00 H new TER 1996 GLY A 127