USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 869 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 85 MET CE :methyl 173:sc= -0.468 (180deg=-0.683) USER MOD Set 1.2: A 103 THR OG1 : rot -120:sc= -0.317 USER MOD Set 2.1: A 43 MET CE :methyl 168:sc= -0.479 (180deg=-0.688) USER MOD Set 2.2: A 110 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 8 GLN : amide:sc= -1.6 K(o=-1.6,f=-3.2) USER MOD Set 3.2: A 37 MET CE :methyl -166:sc= 0 (180deg=-0.145) USER MOD Set 4.1: A 3 THR OG1 : rot -123:sc= 0.807 USER MOD Set 4.2: A 6 GLN : amide:sc= -0.335 K(o=0.47,f=-1.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.0584 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.51 X(o=-0.51,f=-0.028) USER MOD Single : A 10 HIS : no HD1:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 16 SER OG : rot 0:sc= 0.386 USER MOD Single : A 18 ASN : amide:sc= -0.21 X(o=-0.21,f=-0.21) USER MOD Single : A 20 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0738) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -170:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 6:sc= 0.677 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.223 K(o=-0.22,f=-3.4) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.407 K(o=0.41,f=-7.2!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00231 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -167:sc= -0.0542 (180deg=-0.504) USER MOD Single : A 66 THR OG1 : rot -70:sc= 1.24 USER MOD Single : A 68 MET CE :methyl 172:sc= -0.0394 (180deg=-0.152) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -1.52 X(o=-1.5,f=-1.3) USER MOD Single : A 74 GLN : amide:sc= 0.648 K(o=0.65,f=-0.97) USER MOD Single : A 76 ASN : amide:sc= -0.339 X(o=-0.34,f=-0.38) USER MOD Single : A 80 ASN : amide:sc= -0.0551 K(o=-0.055,f=-1.4!) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.0539 USER MOD Single : A 83 SER OG : rot 116:sc= 0.137 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.318 X(o=-0.32,f=-0.27) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0246 USER MOD Single : A 97 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 98 GLN : amide:sc=-0.000121 X(o=-0.00012,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 THR OG1 : rot 45:sc= 1.26 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0137) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.018 2.114 -7.359 1.00 0.00 N ATOM 2 CA MET A 1 17.166 0.984 -7.023 1.00 0.00 C ATOM 3 C MET A 1 16.438 1.279 -5.705 1.00 0.00 C ATOM 4 O MET A 1 17.027 1.893 -4.807 1.00 0.00 O ATOM 5 CB MET A 1 18.041 -0.275 -6.955 1.00 0.00 C ATOM 6 CG MET A 1 17.277 -1.498 -6.451 1.00 0.00 C ATOM 7 SD MET A 1 18.145 -3.054 -6.726 1.00 0.00 S ATOM 8 CE MET A 1 17.333 -3.621 -8.243 1.00 0.00 C ATOM 0 H1 MET A 1 18.962 1.769 -7.628 1.00 0.00 H new ATOM 0 H2 MET A 1 17.601 2.639 -8.154 1.00 0.00 H new ATOM 0 H3 MET A 1 18.101 2.743 -6.535 1.00 0.00 H new ATOM 0 HA MET A 1 16.399 0.817 -7.779 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.444 -0.486 -7.946 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.891 -0.087 -6.299 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.085 -1.382 -5.384 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.307 -1.540 -6.947 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.758 -4.577 -8.548 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.265 -3.740 -8.061 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.487 -2.887 -9.034 1.00 0.00 H new ATOM 18 N VAL A 2 15.170 0.871 -5.590 1.00 0.00 N ATOM 19 CA VAL A 2 14.407 1.062 -4.359 1.00 0.00 C ATOM 20 C VAL A 2 15.001 0.186 -3.246 1.00 0.00 C ATOM 21 O VAL A 2 15.469 -0.925 -3.519 1.00 0.00 O ATOM 22 CB VAL A 2 12.902 0.833 -4.608 1.00 0.00 C ATOM 23 CG1 VAL A 2 12.540 -0.576 -5.080 1.00 0.00 C ATOM 24 CG2 VAL A 2 12.080 1.152 -3.356 1.00 0.00 C ATOM 0 H VAL A 2 14.653 0.407 -6.337 1.00 0.00 H new ATOM 0 HA VAL A 2 14.488 2.095 -4.019 1.00 0.00 H new ATOM 0 HB VAL A 2 12.657 1.517 -5.420 1.00 0.00 H new ATOM 0 HG11 VAL A 2 11.462 -0.644 -5.229 1.00 0.00 H new ATOM 0 HG12 VAL A 2 13.050 -0.787 -6.020 1.00 0.00 H new ATOM 0 HG13 VAL A 2 12.849 -1.302 -4.328 1.00 0.00 H new ATOM 0 HG21 VAL A 2 11.023 0.981 -3.561 1.00 0.00 H new ATOM 0 HG22 VAL A 2 12.399 0.507 -2.537 1.00 0.00 H new ATOM 0 HG23 VAL A 2 12.232 2.195 -3.077 1.00 0.00 H new ATOM 34 N THR A 3 14.967 0.652 -1.993 1.00 0.00 N ATOM 35 CA THR A 3 15.616 -0.039 -0.883 1.00 0.00 C ATOM 36 C THR A 3 14.699 -0.092 0.341 1.00 0.00 C ATOM 37 O THR A 3 13.764 0.699 0.432 1.00 0.00 O ATOM 38 CB THR A 3 16.930 0.679 -0.538 1.00 0.00 C ATOM 39 OG1 THR A 3 16.783 2.087 -0.553 1.00 0.00 O ATOM 40 CG2 THR A 3 18.053 0.323 -1.500 1.00 0.00 C ATOM 0 H THR A 3 14.491 1.513 -1.725 1.00 0.00 H new ATOM 0 HA THR A 3 15.830 -1.065 -1.182 1.00 0.00 H new ATOM 0 HB THR A 3 17.185 0.340 0.466 1.00 0.00 H new ATOM 0 HG1 THR A 3 17.426 2.476 -1.182 1.00 0.00 H new ATOM 0 HG21 THR A 3 18.960 0.856 -1.214 1.00 0.00 H new ATOM 0 HG22 THR A 3 18.236 -0.751 -1.464 1.00 0.00 H new ATOM 0 HG23 THR A 3 17.769 0.609 -2.513 1.00 0.00 H new ATOM 48 N PRO A 4 14.963 -0.972 1.321 1.00 0.00 N ATOM 49 CA PRO A 4 14.196 -1.005 2.556 1.00 0.00 C ATOM 50 C PRO A 4 14.257 0.314 3.330 1.00 0.00 C ATOM 51 O PRO A 4 13.229 0.834 3.761 1.00 0.00 O ATOM 52 CB PRO A 4 14.763 -2.166 3.375 1.00 0.00 C ATOM 53 CG PRO A 4 16.017 -2.645 2.652 1.00 0.00 C ATOM 54 CD PRO A 4 15.886 -2.094 1.238 1.00 0.00 C ATOM 0 HA PRO A 4 13.137 -1.147 2.339 1.00 0.00 H new ATOM 0 HB2 PRO A 4 15.001 -1.844 4.389 1.00 0.00 H new ATOM 0 HB3 PRO A 4 14.034 -2.972 3.459 1.00 0.00 H new ATOM 0 HG2 PRO A 4 16.920 -2.275 3.138 1.00 0.00 H new ATOM 0 HG3 PRO A 4 16.080 -3.733 2.648 1.00 0.00 H new ATOM 0 HD2 PRO A 4 16.855 -1.773 0.854 1.00 0.00 H new ATOM 0 HD3 PRO A 4 15.510 -2.857 0.557 1.00 0.00 H new ATOM 62 N GLU A 5 15.457 0.834 3.567 1.00 0.00 N ATOM 63 CA GLU A 5 15.667 1.974 4.456 1.00 0.00 C ATOM 64 C GLU A 5 14.898 3.234 4.037 1.00 0.00 C ATOM 65 O GLU A 5 14.516 4.023 4.902 1.00 0.00 O ATOM 66 CB GLU A 5 17.157 2.247 4.599 1.00 0.00 C ATOM 67 CG GLU A 5 17.733 1.654 5.887 1.00 0.00 C ATOM 68 CD GLU A 5 19.238 1.892 5.995 1.00 0.00 C ATOM 69 OE1 GLU A 5 19.628 2.966 6.498 1.00 0.00 O ATOM 70 OE2 GLU A 5 20.000 0.976 5.594 1.00 0.00 O ATOM 0 H GLU A 5 16.315 0.476 3.147 1.00 0.00 H new ATOM 0 HA GLU A 5 15.255 1.702 5.428 1.00 0.00 H new ATOM 0 HB2 GLU A 5 17.685 1.830 3.741 1.00 0.00 H new ATOM 0 HB3 GLU A 5 17.330 3.323 4.587 1.00 0.00 H new ATOM 0 HG2 GLU A 5 17.232 2.097 6.748 1.00 0.00 H new ATOM 0 HG3 GLU A 5 17.531 0.583 5.917 1.00 0.00 H new ATOM 77 N GLN A 6 14.626 3.412 2.741 1.00 0.00 N ATOM 78 CA GLN A 6 13.826 4.530 2.239 1.00 0.00 C ATOM 79 C GLN A 6 12.315 4.323 2.395 1.00 0.00 C ATOM 80 O GLN A 6 11.542 5.104 1.844 1.00 0.00 O ATOM 81 CB GLN A 6 14.247 4.874 0.803 1.00 0.00 C ATOM 82 CG GLN A 6 13.881 3.833 -0.237 1.00 0.00 C ATOM 83 CD GLN A 6 14.202 4.302 -1.643 1.00 0.00 C ATOM 84 OE1 GLN A 6 13.554 5.160 -2.227 1.00 0.00 O ATOM 85 NE2 GLN A 6 15.178 3.701 -2.279 1.00 0.00 N ATOM 0 H GLN A 6 14.956 2.782 2.009 1.00 0.00 H new ATOM 0 HA GLN A 6 14.037 5.395 2.868 1.00 0.00 H new ATOM 0 HB2 GLN A 6 13.789 5.823 0.523 1.00 0.00 H new ATOM 0 HB3 GLN A 6 15.327 5.023 0.782 1.00 0.00 H new ATOM 0 HG2 GLN A 6 14.420 2.908 -0.031 1.00 0.00 H new ATOM 0 HG3 GLN A 6 12.818 3.605 -0.164 1.00 0.00 H new ATOM 0 HE21 GLN A 6 15.728 2.983 -1.807 1.00 0.00 H new ATOM 0 HE22 GLN A 6 15.387 3.951 -3.246 1.00 0.00 H new ATOM 94 N LEU A 7 11.867 3.284 3.111 1.00 0.00 N ATOM 95 CA LEU A 7 10.458 2.900 3.136 1.00 0.00 C ATOM 96 C LEU A 7 9.972 2.802 4.573 1.00 0.00 C ATOM 97 O LEU A 7 8.982 3.436 4.922 1.00 0.00 O ATOM 98 CB LEU A 7 10.273 1.580 2.377 1.00 0.00 C ATOM 99 CG LEU A 7 10.616 1.679 0.864 1.00 0.00 C ATOM 100 CD1 LEU A 7 10.673 0.275 0.277 1.00 0.00 C ATOM 101 CD2 LEU A 7 9.559 2.493 0.102 1.00 0.00 C ATOM 0 H LEU A 7 12.469 2.693 3.684 1.00 0.00 H new ATOM 0 HA LEU A 7 9.856 3.660 2.638 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.902 0.816 2.834 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.240 1.250 2.486 1.00 0.00 H new ATOM 0 HG LEU A 7 11.578 2.182 0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 7 10.913 0.334 -0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 7 11.441 -0.303 0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.706 -0.212 0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 7 9.829 2.543 -0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.586 2.013 0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 7 9.511 3.502 0.512 1.00 0.00 H new ATOM 113 N GLN A 8 10.699 2.083 5.434 1.00 0.00 N ATOM 114 CA GLN A 8 10.333 1.815 6.832 1.00 0.00 C ATOM 115 C GLN A 8 10.061 3.056 7.676 1.00 0.00 C ATOM 116 O GLN A 8 9.509 2.946 8.771 1.00 0.00 O ATOM 117 CB GLN A 8 11.472 1.028 7.497 1.00 0.00 C ATOM 118 CG GLN A 8 11.366 -0.481 7.374 1.00 0.00 C ATOM 119 CD GLN A 8 11.246 -0.923 5.944 1.00 0.00 C ATOM 120 OE1 GLN A 8 10.185 -0.906 5.335 1.00 0.00 O ATOM 121 NE2 GLN A 8 12.371 -1.284 5.384 1.00 0.00 N ATOM 0 H GLN A 8 11.587 1.657 5.170 1.00 0.00 H new ATOM 0 HA GLN A 8 9.397 1.258 6.791 1.00 0.00 H new ATOM 0 HB2 GLN A 8 12.418 1.348 7.060 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.505 1.290 8.555 1.00 0.00 H new ATOM 0 HG2 GLN A 8 12.244 -0.944 7.824 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.499 -0.830 7.935 1.00 0.00 H new ATOM 0 HE21 GLN A 8 13.234 -1.284 5.927 1.00 0.00 H new ATOM 0 HE22 GLN A 8 12.385 -1.565 4.404 1.00 0.00 H new ATOM 130 N HIS A 9 10.501 4.214 7.211 1.00 0.00 N ATOM 131 CA HIS A 9 10.464 5.460 7.955 1.00 0.00 C ATOM 132 C HIS A 9 9.719 6.550 7.162 1.00 0.00 C ATOM 133 O HIS A 9 9.731 7.712 7.575 1.00 0.00 O ATOM 134 CB HIS A 9 11.906 5.856 8.337 1.00 0.00 C ATOM 135 CG HIS A 9 12.822 4.730 8.798 1.00 0.00 C ATOM 136 ND1 HIS A 9 14.136 4.560 8.420 1.00 0.00 N ATOM 137 CD2 HIS A 9 12.514 3.688 9.635 1.00 0.00 C ATOM 138 CE1 HIS A 9 14.599 3.439 8.996 1.00 0.00 C ATOM 139 NE2 HIS A 9 13.642 2.858 9.745 1.00 0.00 N ATOM 0 H HIS A 9 10.905 4.315 6.280 1.00 0.00 H new ATOM 0 HA HIS A 9 9.900 5.334 8.879 1.00 0.00 H new ATOM 0 HB2 HIS A 9 12.367 6.339 7.475 1.00 0.00 H new ATOM 0 HB3 HIS A 9 11.856 6.601 9.131 1.00 0.00 H new ATOM 0 HD2 HIS A 9 11.565 3.532 10.126 1.00 0.00 H new ATOM 0 HE1 HIS A 9 15.601 3.056 8.875 1.00 0.00 H new ATOM 0 HE2 HIS A 9 13.720 1.994 10.281 1.00 0.00 H new ATOM 147 N HIS A 10 9.082 6.200 6.033 1.00 0.00 N ATOM 148 CA HIS A 10 8.535 7.127 5.047 1.00 0.00 C ATOM 149 C HIS A 10 7.100 6.715 4.700 1.00 0.00 C ATOM 150 O HIS A 10 6.873 5.686 4.061 1.00 0.00 O ATOM 151 CB HIS A 10 9.443 7.171 3.806 1.00 0.00 C ATOM 152 CG HIS A 10 10.853 7.623 4.114 1.00 0.00 C ATOM 153 ND1 HIS A 10 11.349 8.898 3.963 1.00 0.00 N ATOM 154 CD2 HIS A 10 11.858 6.847 4.628 1.00 0.00 C ATOM 155 CE1 HIS A 10 12.628 8.884 4.376 1.00 0.00 C ATOM 156 NE2 HIS A 10 12.981 7.661 4.814 1.00 0.00 N ATOM 0 H HIS A 10 8.932 5.224 5.778 1.00 0.00 H new ATOM 0 HA HIS A 10 8.502 8.136 5.459 1.00 0.00 H new ATOM 0 HB2 HIS A 10 9.477 6.180 3.354 1.00 0.00 H new ATOM 0 HB3 HIS A 10 9.006 7.844 3.068 1.00 0.00 H new ATOM 0 HD2 HIS A 10 11.795 5.792 4.851 1.00 0.00 H new ATOM 0 HE1 HIS A 10 13.286 9.741 4.359 1.00 0.00 H new ATOM 0 HE2 HIS A 10 13.883 7.384 5.202 1.00 0.00 H new ATOM 164 N ARG A 11 6.118 7.499 5.151 1.00 0.00 N ATOM 165 CA ARG A 11 4.705 7.272 4.840 1.00 0.00 C ATOM 166 C ARG A 11 4.444 7.464 3.349 1.00 0.00 C ATOM 167 O ARG A 11 5.100 8.270 2.687 1.00 0.00 O ATOM 168 CB ARG A 11 3.843 8.248 5.652 1.00 0.00 C ATOM 169 CG ARG A 11 2.331 8.097 5.431 1.00 0.00 C ATOM 170 CD ARG A 11 1.562 9.083 6.315 1.00 0.00 C ATOM 171 NE ARG A 11 0.423 8.423 6.965 1.00 0.00 N ATOM 172 CZ ARG A 11 0.518 7.590 8.013 1.00 0.00 C ATOM 173 NH1 ARG A 11 1.692 7.320 8.578 1.00 0.00 N ATOM 174 NH2 ARG A 11 -0.575 7.017 8.490 1.00 0.00 N ATOM 0 H ARG A 11 6.281 8.312 5.745 1.00 0.00 H new ATOM 0 HA ARG A 11 4.445 6.247 5.104 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.058 8.108 6.711 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.134 9.267 5.399 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.091 8.274 4.383 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.023 7.077 5.660 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.229 9.496 7.072 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.208 9.919 5.712 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.508 8.611 6.593 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.543 7.749 8.215 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.741 6.684 9.374 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.480 7.210 8.062 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.512 6.383 9.286 1.00 0.00 H new ATOM 188 N PHE A 12 3.397 6.801 2.861 1.00 0.00 N ATOM 189 CA PHE A 12 2.821 7.028 1.553 1.00 0.00 C ATOM 190 C PHE A 12 1.308 7.159 1.673 1.00 0.00 C ATOM 191 O PHE A 12 0.687 6.636 2.595 1.00 0.00 O ATOM 192 CB PHE A 12 3.220 5.857 0.651 1.00 0.00 C ATOM 193 CG PHE A 12 4.650 5.973 0.188 1.00 0.00 C ATOM 194 CD1 PHE A 12 5.691 5.437 0.969 1.00 0.00 C ATOM 195 CD2 PHE A 12 4.944 6.728 -0.961 1.00 0.00 C ATOM 196 CE1 PHE A 12 7.026 5.689 0.621 1.00 0.00 C ATOM 197 CE2 PHE A 12 6.278 6.971 -1.317 1.00 0.00 C ATOM 198 CZ PHE A 12 7.313 6.464 -0.513 1.00 0.00 C ATOM 0 H PHE A 12 2.918 6.071 3.387 1.00 0.00 H new ATOM 0 HA PHE A 12 3.192 7.955 1.116 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.087 4.920 1.191 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.559 5.823 -0.215 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.462 4.833 1.835 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.142 7.121 -1.569 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.829 5.289 1.223 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.509 7.544 -2.203 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.341 6.673 -0.771 1.00 0.00 H new ATOM 208 N VAL A 13 0.684 7.798 0.691 1.00 0.00 N ATOM 209 CA VAL A 13 -0.766 7.846 0.560 1.00 0.00 C ATOM 210 C VAL A 13 -1.146 7.445 -0.859 1.00 0.00 C ATOM 211 O VAL A 13 -0.452 7.820 -1.808 1.00 0.00 O ATOM 212 CB VAL A 13 -1.299 9.201 1.055 1.00 0.00 C ATOM 213 CG1 VAL A 13 -0.717 10.388 0.291 1.00 0.00 C ATOM 214 CG2 VAL A 13 -2.825 9.288 1.043 1.00 0.00 C ATOM 0 H VAL A 13 1.177 8.303 -0.045 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.261 7.120 1.205 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.962 9.259 2.090 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.132 11.315 0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.367 10.398 0.405 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.970 10.300 -0.766 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.136 10.268 1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.190 9.142 0.026 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.239 8.515 1.691 1.00 0.00 H new ATOM 224 N LEU A 14 -2.181 6.609 -0.986 1.00 0.00 N ATOM 225 CA LEU A 14 -2.747 6.159 -2.256 1.00 0.00 C ATOM 226 C LEU A 14 -3.470 7.355 -2.864 1.00 0.00 C ATOM 227 O LEU A 14 -4.658 7.564 -2.613 1.00 0.00 O ATOM 228 CB LEU A 14 -3.709 4.952 -2.089 1.00 0.00 C ATOM 229 CG LEU A 14 -4.150 4.308 -3.416 1.00 0.00 C ATOM 230 CD1 LEU A 14 -2.976 3.944 -4.332 1.00 0.00 C ATOM 231 CD2 LEU A 14 -4.948 3.041 -3.082 1.00 0.00 C ATOM 0 H LEU A 14 -2.663 6.215 -0.178 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.949 5.803 -2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.221 4.195 -1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.595 5.280 -1.545 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.751 5.036 -3.960 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.356 3.495 -5.249 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.412 4.844 -4.576 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.324 3.234 -3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.274 2.562 -4.005 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.318 2.352 -2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.819 3.307 -2.484 1.00 0.00 H new ATOM 243 N GLU A 15 -2.725 8.180 -3.585 1.00 0.00 N ATOM 244 CA GLU A 15 -3.236 9.360 -4.258 1.00 0.00 C ATOM 245 C GLU A 15 -4.157 8.932 -5.394 1.00 0.00 C ATOM 246 O GLU A 15 -5.249 9.479 -5.551 1.00 0.00 O ATOM 247 CB GLU A 15 -2.051 10.180 -4.788 1.00 0.00 C ATOM 248 CG GLU A 15 -1.793 11.446 -3.955 1.00 0.00 C ATOM 249 CD GLU A 15 -2.778 12.598 -4.164 1.00 0.00 C ATOM 250 OE1 GLU A 15 -3.417 12.684 -5.234 1.00 0.00 O ATOM 251 OE2 GLU A 15 -2.762 13.536 -3.332 1.00 0.00 O ATOM 0 H GLU A 15 -1.723 8.042 -3.720 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.809 9.978 -3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.155 9.560 -4.788 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.243 10.463 -5.823 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.804 11.172 -2.900 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.789 11.807 -4.180 1.00 0.00 H new ATOM 258 N SER A 16 -3.739 7.971 -6.225 1.00 0.00 N ATOM 259 CA SER A 16 -4.543 7.571 -7.366 1.00 0.00 C ATOM 260 C SER A 16 -4.262 6.135 -7.793 1.00 0.00 C ATOM 261 O SER A 16 -3.117 5.676 -7.813 1.00 0.00 O ATOM 262 CB SER A 16 -4.311 8.558 -8.514 1.00 0.00 C ATOM 263 OG SER A 16 -4.756 9.868 -8.188 1.00 0.00 O ATOM 0 H SER A 16 -2.859 7.466 -6.124 1.00 0.00 H new ATOM 0 HA SER A 16 -5.594 7.597 -7.078 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.249 8.586 -8.759 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.834 8.208 -9.404 1.00 0.00 H new ATOM 0 HG SER A 16 -5.121 9.873 -7.278 1.00 0.00 H new ATOM 269 N VAL A 17 -5.322 5.428 -8.169 1.00 0.00 N ATOM 270 CA VAL A 17 -5.330 4.011 -8.501 1.00 0.00 C ATOM 271 C VAL A 17 -5.282 3.866 -10.025 1.00 0.00 C ATOM 272 O VAL A 17 -5.419 4.855 -10.750 1.00 0.00 O ATOM 273 CB VAL A 17 -6.581 3.403 -7.813 1.00 0.00 C ATOM 274 CG1 VAL A 17 -6.850 1.918 -8.064 1.00 0.00 C ATOM 275 CG2 VAL A 17 -6.463 3.666 -6.302 1.00 0.00 C ATOM 0 H VAL A 17 -6.246 5.851 -8.254 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.462 3.462 -8.136 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.439 3.898 -8.268 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.750 1.616 -7.529 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.988 1.749 -9.132 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.003 1.330 -7.710 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.331 3.249 -5.791 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.557 3.196 -5.921 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.418 4.740 -6.122 1.00 0.00 H new ATOM 285 N ASN A 18 -5.098 2.631 -10.504 1.00 0.00 N ATOM 286 CA ASN A 18 -4.991 2.269 -11.914 1.00 0.00 C ATOM 287 C ASN A 18 -6.047 2.968 -12.766 1.00 0.00 C ATOM 288 O ASN A 18 -5.698 3.585 -13.769 1.00 0.00 O ATOM 289 CB ASN A 18 -5.076 0.738 -12.036 1.00 0.00 C ATOM 290 CG ASN A 18 -5.613 0.277 -13.385 1.00 0.00 C ATOM 291 OD1 ASN A 18 -4.887 0.188 -14.368 1.00 0.00 O ATOM 292 ND2 ASN A 18 -6.880 -0.087 -13.438 1.00 0.00 N ATOM 0 H ASN A 18 -5.016 1.822 -9.888 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.029 2.608 -12.299 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.085 0.311 -11.881 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.718 0.351 -11.244 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.270 -0.450 -14.308 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.469 -0.006 -12.609 1.00 0.00 H new ATOM 299 N GLY A 19 -7.305 2.893 -12.343 1.00 0.00 N ATOM 300 CA GLY A 19 -8.413 3.552 -13.010 1.00 0.00 C ATOM 301 C GLY A 19 -8.480 5.033 -12.650 1.00 0.00 C ATOM 302 O GLY A 19 -8.270 5.903 -13.496 1.00 0.00 O ATOM 0 H GLY A 19 -7.583 2.365 -11.516 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.306 3.443 -14.089 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.348 3.066 -12.732 1.00 0.00 H new ATOM 306 N LYS A 20 -8.828 5.324 -11.396 1.00 0.00 N ATOM 307 CA LYS A 20 -9.267 6.629 -10.915 1.00 0.00 C ATOM 308 C LYS A 20 -8.614 6.968 -9.575 1.00 0.00 C ATOM 309 O LYS A 20 -8.076 6.076 -8.921 1.00 0.00 O ATOM 310 CB LYS A 20 -10.803 6.598 -10.784 1.00 0.00 C ATOM 311 CG LYS A 20 -11.458 7.055 -12.089 1.00 0.00 C ATOM 312 CD LYS A 20 -12.961 7.307 -11.899 1.00 0.00 C ATOM 313 CE LYS A 20 -13.534 8.180 -13.018 1.00 0.00 C ATOM 314 NZ LYS A 20 -13.110 9.592 -12.907 1.00 0.00 N ATOM 0 H LYS A 20 -8.810 4.622 -10.656 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.967 7.404 -11.621 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.133 5.589 -10.538 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.118 7.245 -9.965 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.976 7.967 -12.441 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.308 6.298 -12.859 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.490 6.354 -11.874 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.130 7.791 -10.937 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.217 7.783 -13.983 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -14.622 8.128 -12.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.665 10.174 -13.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.267 9.926 -11.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.100 9.671 -13.141 1.00 0.00 H new ATOM 328 N PRO A 21 -8.666 8.230 -9.122 1.00 0.00 N ATOM 329 CA PRO A 21 -8.407 8.550 -7.728 1.00 0.00 C ATOM 330 C PRO A 21 -9.519 7.977 -6.842 1.00 0.00 C ATOM 331 O PRO A 21 -10.505 7.415 -7.328 1.00 0.00 O ATOM 332 CB PRO A 21 -8.316 10.074 -7.671 1.00 0.00 C ATOM 333 CG PRO A 21 -9.247 10.513 -8.793 1.00 0.00 C ATOM 334 CD PRO A 21 -9.171 9.395 -9.830 1.00 0.00 C ATOM 0 HA PRO A 21 -7.484 8.109 -7.352 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.637 10.462 -6.704 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.296 10.424 -7.832 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -10.266 10.646 -8.431 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.932 11.467 -9.217 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.152 9.195 -10.262 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.510 9.669 -10.653 1.00 0.00 H new ATOM 342 N VAL A 22 -9.364 8.136 -5.534 1.00 0.00 N ATOM 343 CA VAL A 22 -10.331 7.713 -4.520 1.00 0.00 C ATOM 344 C VAL A 22 -10.559 8.885 -3.550 1.00 0.00 C ATOM 345 O VAL A 22 -9.743 9.812 -3.523 1.00 0.00 O ATOM 346 CB VAL A 22 -9.829 6.392 -3.887 1.00 0.00 C ATOM 347 CG1 VAL A 22 -8.419 6.486 -3.275 1.00 0.00 C ATOM 348 CG2 VAL A 22 -10.797 5.797 -2.853 1.00 0.00 C ATOM 0 H VAL A 22 -8.536 8.577 -5.133 1.00 0.00 H new ATOM 0 HA VAL A 22 -11.315 7.480 -4.928 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.779 5.714 -4.739 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.141 5.521 -2.853 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.704 6.763 -4.050 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.413 7.241 -2.489 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.379 4.873 -2.453 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.946 6.510 -2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.754 5.585 -3.330 1.00 0.00 H new ATOM 358 N THR A 23 -11.642 8.876 -2.765 1.00 0.00 N ATOM 359 CA THR A 23 -11.872 9.856 -1.701 1.00 0.00 C ATOM 360 C THR A 23 -12.513 9.143 -0.502 1.00 0.00 C ATOM 361 O THR A 23 -13.340 8.246 -0.694 1.00 0.00 O ATOM 362 CB THR A 23 -12.746 11.033 -2.190 1.00 0.00 C ATOM 363 OG1 THR A 23 -12.700 11.211 -3.595 1.00 0.00 O ATOM 364 CG2 THR A 23 -12.291 12.349 -1.556 1.00 0.00 C ATOM 0 H THR A 23 -12.387 8.184 -2.852 1.00 0.00 H new ATOM 0 HA THR A 23 -10.917 10.286 -1.398 1.00 0.00 H new ATOM 0 HB THR A 23 -13.764 10.778 -1.894 1.00 0.00 H new ATOM 0 HG1 THR A 23 -13.271 11.966 -3.848 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.921 13.163 -1.915 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.373 12.278 -0.471 1.00 0.00 H new ATOM 0 HG23 THR A 23 -11.254 12.545 -1.829 1.00 0.00 H new ATOM 372 N SER A 24 -12.130 9.539 0.715 1.00 0.00 N ATOM 373 CA SER A 24 -12.547 8.935 1.976 1.00 0.00 C ATOM 374 C SER A 24 -12.661 10.005 3.073 1.00 0.00 C ATOM 375 O SER A 24 -12.308 9.751 4.223 1.00 0.00 O ATOM 376 CB SER A 24 -11.544 7.868 2.415 1.00 0.00 C ATOM 377 OG SER A 24 -11.242 6.890 1.438 1.00 0.00 O ATOM 0 H SER A 24 -11.493 10.324 0.850 1.00 0.00 H new ATOM 0 HA SER A 24 -13.522 8.472 1.822 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.618 8.362 2.711 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.935 7.366 3.300 1.00 0.00 H new ATOM 0 HG SER A 24 -10.723 6.167 1.848 1.00 0.00 H new ATOM 383 N ASP A 25 -13.092 11.221 2.727 1.00 0.00 N ATOM 384 CA ASP A 25 -13.252 12.355 3.649 1.00 0.00 C ATOM 385 C ASP A 25 -11.969 12.605 4.425 1.00 0.00 C ATOM 386 O ASP A 25 -11.937 12.666 5.658 1.00 0.00 O ATOM 387 CB ASP A 25 -14.458 12.209 4.580 1.00 0.00 C ATOM 388 CG ASP A 25 -15.775 11.913 3.859 1.00 0.00 C ATOM 389 OD1 ASP A 25 -15.880 12.117 2.622 1.00 0.00 O ATOM 390 OD2 ASP A 25 -16.660 11.293 4.489 1.00 0.00 O ATOM 0 H ASP A 25 -13.348 11.454 1.767 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.458 13.232 3.035 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -14.258 11.408 5.292 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -14.571 13.127 5.157 1.00 0.00 H new ATOM 395 N LYS A 26 -10.871 12.741 3.680 1.00 0.00 N ATOM 396 CA LYS A 26 -9.550 13.021 4.209 1.00 0.00 C ATOM 397 C LYS A 26 -9.018 11.881 5.087 1.00 0.00 C ATOM 398 O LYS A 26 -7.926 12.032 5.637 1.00 0.00 O ATOM 399 CB LYS A 26 -9.606 14.394 4.905 1.00 0.00 C ATOM 400 CG LYS A 26 -8.566 15.402 4.428 1.00 0.00 C ATOM 401 CD LYS A 26 -7.177 15.205 5.047 1.00 0.00 C ATOM 402 CE LYS A 26 -6.179 16.219 4.474 1.00 0.00 C ATOM 403 NZ LYS A 26 -4.885 16.212 5.190 1.00 0.00 N ATOM 0 H LYS A 26 -10.885 12.656 2.664 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.817 13.076 3.404 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.598 14.820 4.755 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.481 14.246 5.978 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.482 15.336 3.343 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.917 16.408 4.660 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.237 15.318 6.130 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.826 14.192 4.851 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.008 15.999 3.420 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.612 17.218 4.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.248 16.915 4.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.041 16.449 6.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.455 15.268 5.121 1.00 0.00 H new ATOM 417 N ASN A 27 -9.679 10.716 5.134 1.00 0.00 N ATOM 418 CA ASN A 27 -9.203 9.503 5.802 1.00 0.00 C ATOM 419 C ASN A 27 -8.913 8.397 4.767 1.00 0.00 C ATOM 420 O ASN A 27 -9.530 7.331 4.809 1.00 0.00 O ATOM 421 CB ASN A 27 -10.222 9.053 6.871 1.00 0.00 C ATOM 422 CG ASN A 27 -10.554 10.138 7.890 1.00 0.00 C ATOM 423 OD1 ASN A 27 -9.662 10.759 8.464 1.00 0.00 O ATOM 424 ND2 ASN A 27 -11.820 10.431 8.130 1.00 0.00 N ATOM 0 H ASN A 27 -10.590 10.591 4.692 1.00 0.00 H new ATOM 0 HA ASN A 27 -8.264 9.715 6.314 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -11.140 8.737 6.376 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.827 8.183 7.395 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -12.056 11.172 8.791 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -12.561 9.917 7.655 1.00 0.00 H new ATOM 431 N PRO A 28 -8.017 8.635 3.793 1.00 0.00 N ATOM 432 CA PRO A 28 -7.846 7.802 2.603 1.00 0.00 C ATOM 433 C PRO A 28 -7.080 6.491 2.876 1.00 0.00 C ATOM 434 O PRO A 28 -6.515 6.346 3.966 1.00 0.00 O ATOM 435 CB PRO A 28 -7.083 8.734 1.660 1.00 0.00 C ATOM 436 CG PRO A 28 -6.134 9.459 2.603 1.00 0.00 C ATOM 437 CD PRO A 28 -7.109 9.769 3.719 1.00 0.00 C ATOM 0 HA PRO A 28 -8.794 7.447 2.199 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.545 8.180 0.891 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.751 9.426 1.146 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.304 8.833 2.930 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.702 10.356 2.159 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.586 9.911 4.665 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.654 10.691 3.515 1.00 0.00 H new ATOM 445 N PRO A 29 -7.004 5.555 1.897 1.00 0.00 N ATOM 446 CA PRO A 29 -6.161 4.356 1.944 1.00 0.00 C ATOM 447 C PRO A 29 -4.668 4.708 1.928 1.00 0.00 C ATOM 448 O PRO A 29 -3.949 4.435 0.966 1.00 0.00 O ATOM 449 CB PRO A 29 -6.573 3.486 0.742 1.00 0.00 C ATOM 450 CG PRO A 29 -7.327 4.415 -0.201 1.00 0.00 C ATOM 451 CD PRO A 29 -7.799 5.567 0.674 1.00 0.00 C ATOM 0 HA PRO A 29 -6.309 3.810 2.876 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -5.699 3.056 0.252 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.203 2.654 1.058 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -6.682 4.769 -1.005 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -8.169 3.904 -0.669 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.681 6.516 0.151 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.859 5.460 0.906 1.00 0.00 H new ATOM 459 N GLU A 30 -4.174 5.377 2.963 1.00 0.00 N ATOM 460 CA GLU A 30 -2.751 5.611 3.117 1.00 0.00 C ATOM 461 C GLU A 30 -2.051 4.286 3.449 1.00 0.00 C ATOM 462 O GLU A 30 -2.705 3.316 3.857 1.00 0.00 O ATOM 463 CB GLU A 30 -2.513 6.731 4.143 1.00 0.00 C ATOM 464 CG GLU A 30 -2.568 6.223 5.586 1.00 0.00 C ATOM 465 CD GLU A 30 -3.153 7.248 6.549 1.00 0.00 C ATOM 466 OE1 GLU A 30 -2.454 8.236 6.882 1.00 0.00 O ATOM 467 OE2 GLU A 30 -4.269 6.999 7.052 1.00 0.00 O ATOM 0 H GLU A 30 -4.746 5.768 3.711 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.308 5.965 2.186 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.541 7.188 3.959 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.263 7.510 4.006 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.166 5.313 5.624 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.562 5.957 5.912 1.00 0.00 H new ATOM 474 N ILE A 31 -0.728 4.242 3.316 1.00 0.00 N ATOM 475 CA ILE A 31 0.054 3.071 3.660 1.00 0.00 C ATOM 476 C ILE A 31 1.337 3.530 4.343 1.00 0.00 C ATOM 477 O ILE A 31 1.891 4.591 4.058 1.00 0.00 O ATOM 478 CB ILE A 31 0.257 2.185 2.408 1.00 0.00 C ATOM 479 CG1 ILE A 31 0.589 0.741 2.831 1.00 0.00 C ATOM 480 CG2 ILE A 31 1.290 2.754 1.415 1.00 0.00 C ATOM 481 CD1 ILE A 31 0.533 -0.228 1.648 1.00 0.00 C ATOM 0 H ILE A 31 -0.172 5.022 2.965 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.463 2.431 4.374 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.685 2.179 1.859 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.583 0.713 3.276 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.113 0.417 3.599 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.382 2.083 0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.962 3.735 1.071 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.257 2.847 1.909 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.773 -1.234 1.990 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.469 -0.220 1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.254 0.080 0.891 1.00 0.00 H new ATOM 493 N SER A 32 1.818 2.719 5.266 1.00 0.00 N ATOM 494 CA SER A 32 3.012 2.986 6.032 1.00 0.00 C ATOM 495 C SER A 32 3.778 1.678 6.134 1.00 0.00 C ATOM 496 O SER A 32 3.196 0.590 6.041 1.00 0.00 O ATOM 497 CB SER A 32 2.626 3.598 7.388 1.00 0.00 C ATOM 498 OG SER A 32 1.513 2.951 7.991 1.00 0.00 O ATOM 0 H SER A 32 1.374 1.833 5.507 1.00 0.00 H new ATOM 0 HA SER A 32 3.663 3.720 5.557 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.481 3.543 8.062 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.395 4.655 7.251 1.00 0.00 H new ATOM 0 HG SER A 32 1.258 2.171 7.455 1.00 0.00 H new ATOM 504 N PHE A 33 5.085 1.800 6.311 1.00 0.00 N ATOM 505 CA PHE A 33 5.994 0.687 6.474 1.00 0.00 C ATOM 506 C PHE A 33 6.774 0.938 7.762 1.00 0.00 C ATOM 507 O PHE A 33 6.685 2.024 8.343 1.00 0.00 O ATOM 508 CB PHE A 33 6.884 0.571 5.228 1.00 0.00 C ATOM 509 CG PHE A 33 6.118 0.362 3.932 1.00 0.00 C ATOM 510 CD1 PHE A 33 5.660 -0.925 3.609 1.00 0.00 C ATOM 511 CD2 PHE A 33 5.846 1.435 3.055 1.00 0.00 C ATOM 512 CE1 PHE A 33 4.940 -1.142 2.422 1.00 0.00 C ATOM 513 CE2 PHE A 33 5.115 1.214 1.869 1.00 0.00 C ATOM 514 CZ PHE A 33 4.659 -0.079 1.551 1.00 0.00 C ATOM 0 H PHE A 33 5.552 2.706 6.345 1.00 0.00 H new ATOM 0 HA PHE A 33 5.479 -0.270 6.564 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.485 1.476 5.139 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.576 -0.260 5.366 1.00 0.00 H new ATOM 0 HD1 PHE A 33 5.862 -1.751 4.275 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.199 2.428 3.293 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.599 -2.137 2.178 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.905 2.038 1.204 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.098 -0.251 0.644 1.00 0.00 H new ATOM 524 N GLY A 34 7.502 -0.062 8.246 1.00 0.00 N ATOM 525 CA GLY A 34 8.267 0.021 9.482 1.00 0.00 C ATOM 526 C GLY A 34 8.511 -1.384 10.015 1.00 0.00 C ATOM 527 O GLY A 34 7.958 -2.333 9.466 1.00 0.00 O ATOM 0 H GLY A 34 7.578 -0.967 7.782 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.217 0.525 9.303 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.726 0.614 10.220 1.00 0.00 H new ATOM 531 N GLU A 35 9.361 -1.516 11.036 1.00 0.00 N ATOM 532 CA GLU A 35 9.501 -2.680 11.918 1.00 0.00 C ATOM 533 C GLU A 35 9.484 -4.019 11.167 1.00 0.00 C ATOM 534 O GLU A 35 8.427 -4.634 11.016 1.00 0.00 O ATOM 535 CB GLU A 35 8.507 -2.615 13.093 1.00 0.00 C ATOM 536 CG GLU A 35 9.091 -1.770 14.233 1.00 0.00 C ATOM 537 CD GLU A 35 8.208 -1.743 15.481 1.00 0.00 C ATOM 538 OE1 GLU A 35 8.350 -2.672 16.310 1.00 0.00 O ATOM 539 OE2 GLU A 35 7.417 -0.786 15.659 1.00 0.00 O ATOM 0 H GLU A 35 10.009 -0.769 11.285 1.00 0.00 H new ATOM 0 HA GLU A 35 10.499 -2.631 12.353 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.563 -2.185 12.758 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.289 -3.621 13.451 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.073 -2.161 14.500 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.240 -0.750 13.880 1.00 0.00 H new ATOM 546 N LYS A 36 10.651 -4.490 10.717 1.00 0.00 N ATOM 547 CA LYS A 36 10.827 -5.716 9.932 1.00 0.00 C ATOM 548 C LYS A 36 10.261 -5.593 8.511 1.00 0.00 C ATOM 549 O LYS A 36 9.968 -6.626 7.907 1.00 0.00 O ATOM 550 CB LYS A 36 10.264 -6.969 10.645 1.00 0.00 C ATOM 551 CG LYS A 36 10.653 -7.181 12.112 1.00 0.00 C ATOM 552 CD LYS A 36 10.139 -8.575 12.522 1.00 0.00 C ATOM 553 CE LYS A 36 9.936 -8.682 14.027 1.00 0.00 C ATOM 554 NZ LYS A 36 11.164 -8.985 14.786 1.00 0.00 N ATOM 0 H LYS A 36 11.533 -4.010 10.896 1.00 0.00 H new ATOM 0 HA LYS A 36 11.905 -5.851 9.844 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.176 -6.929 10.588 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.581 -7.847 10.082 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.734 -7.117 12.237 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.213 -6.408 12.742 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.197 -8.780 12.013 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.849 -9.335 12.196 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.519 -7.744 14.393 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.198 -9.459 14.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.940 -9.041 15.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.554 -9.895 14.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.865 -8.233 14.627 1.00 0.00 H new ATOM 568 N MET A 37 10.137 -4.386 7.936 1.00 0.00 N ATOM 569 CA MET A 37 9.562 -4.179 6.598 1.00 0.00 C ATOM 570 C MET A 37 8.072 -4.578 6.600 1.00 0.00 C ATOM 571 O MET A 37 7.492 -4.872 5.554 1.00 0.00 O ATOM 572 CB MET A 37 10.421 -4.932 5.555 1.00 0.00 C ATOM 573 CG MET A 37 10.767 -4.156 4.283 1.00 0.00 C ATOM 574 SD MET A 37 9.628 -4.268 2.881 1.00 0.00 S ATOM 575 CE MET A 37 8.577 -2.839 3.195 1.00 0.00 C ATOM 0 H MET A 37 10.435 -3.522 8.389 1.00 0.00 H new ATOM 0 HA MET A 37 9.585 -3.126 6.317 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.351 -5.239 6.033 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.894 -5.842 5.269 1.00 0.00 H new ATOM 0 HG2 MET A 37 10.865 -3.104 4.550 1.00 0.00 H new ATOM 0 HG3 MET A 37 11.747 -4.491 3.944 1.00 0.00 H new ATOM 0 HE1 MET A 37 7.682 -2.902 2.576 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.290 -2.822 4.247 1.00 0.00 H new ATOM 0 HE3 MET A 37 9.122 -1.926 2.953 1.00 0.00 H new ATOM 585 N MET A 38 7.428 -4.600 7.775 1.00 0.00 N ATOM 586 CA MET A 38 5.993 -4.781 7.879 1.00 0.00 C ATOM 587 C MET A 38 5.272 -3.631 7.191 1.00 0.00 C ATOM 588 O MET A 38 5.791 -2.518 7.068 1.00 0.00 O ATOM 589 CB MET A 38 5.539 -4.853 9.343 1.00 0.00 C ATOM 590 CG MET A 38 5.639 -6.271 9.903 1.00 0.00 C ATOM 591 SD MET A 38 4.631 -6.515 11.389 1.00 0.00 S ATOM 592 CE MET A 38 3.172 -7.339 10.694 1.00 0.00 C ATOM 0 H MET A 38 7.897 -4.492 8.674 1.00 0.00 H new ATOM 0 HA MET A 38 5.744 -5.724 7.392 1.00 0.00 H new ATOM 0 HB2 MET A 38 6.150 -4.181 9.946 1.00 0.00 H new ATOM 0 HB3 MET A 38 4.509 -4.504 9.421 1.00 0.00 H new ATOM 0 HG2 MET A 38 5.327 -6.981 9.138 1.00 0.00 H new ATOM 0 HG3 MET A 38 6.681 -6.491 10.136 1.00 0.00 H new ATOM 0 HE1 MET A 38 2.460 -7.553 11.492 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.704 -6.688 9.955 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.474 -8.272 10.217 1.00 0.00 H new ATOM 602 N ILE A 39 4.029 -3.908 6.814 1.00 0.00 N ATOM 603 CA ILE A 39 3.146 -3.006 6.106 1.00 0.00 C ATOM 604 C ILE A 39 1.932 -2.780 6.990 1.00 0.00 C ATOM 605 O ILE A 39 1.336 -3.753 7.469 1.00 0.00 O ATOM 606 CB ILE A 39 2.735 -3.604 4.749 1.00 0.00 C ATOM 607 CG1 ILE A 39 3.910 -4.265 3.998 1.00 0.00 C ATOM 608 CG2 ILE A 39 2.010 -2.531 3.921 1.00 0.00 C ATOM 609 CD1 ILE A 39 3.538 -4.765 2.606 1.00 0.00 C ATOM 0 H ILE A 39 3.595 -4.811 7.005 1.00 0.00 H new ATOM 0 HA ILE A 39 3.646 -2.060 5.898 1.00 0.00 H new ATOM 0 HB ILE A 39 2.041 -4.425 4.928 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.726 -3.547 3.912 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.283 -5.102 4.588 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.717 -2.950 2.959 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.122 -2.197 4.457 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.677 -1.684 3.760 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.411 -5.218 2.137 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.744 -5.507 2.686 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.193 -3.928 1.999 1.00 0.00 H new ATOM 621 N SER A 40 1.558 -1.517 7.175 1.00 0.00 N ATOM 622 CA SER A 40 0.421 -1.061 7.954 1.00 0.00 C ATOM 623 C SER A 40 -0.380 -0.107 7.068 1.00 0.00 C ATOM 624 O SER A 40 0.150 0.918 6.632 1.00 0.00 O ATOM 625 CB SER A 40 0.936 -0.389 9.235 1.00 0.00 C ATOM 626 OG SER A 40 1.686 -1.319 9.999 1.00 0.00 O ATOM 0 H SER A 40 2.074 -0.742 6.758 1.00 0.00 H new ATOM 0 HA SER A 40 -0.230 -1.879 8.263 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.556 0.471 8.981 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.097 -0.015 9.822 1.00 0.00 H new ATOM 0 HG SER A 40 2.013 -0.884 10.814 1.00 0.00 H new ATOM 632 N GLY A 41 -1.618 -0.473 6.737 1.00 0.00 N ATOM 633 CA GLY A 41 -2.509 0.308 5.894 1.00 0.00 C ATOM 634 C GLY A 41 -3.923 -0.259 5.979 1.00 0.00 C ATOM 635 O GLY A 41 -4.173 -1.241 6.686 1.00 0.00 O ATOM 0 H GLY A 41 -2.036 -1.346 7.059 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.505 1.351 6.211 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.160 0.288 4.862 1.00 0.00 H new ATOM 639 N SER A 42 -4.865 0.356 5.268 1.00 0.00 N ATOM 640 CA SER A 42 -6.264 -0.035 5.314 1.00 0.00 C ATOM 641 C SER A 42 -6.943 0.373 4.012 1.00 0.00 C ATOM 642 O SER A 42 -7.210 1.554 3.800 1.00 0.00 O ATOM 643 CB SER A 42 -6.922 0.548 6.578 1.00 0.00 C ATOM 644 OG SER A 42 -6.384 1.782 7.015 1.00 0.00 O ATOM 0 H SER A 42 -4.675 1.140 4.644 1.00 0.00 H new ATOM 0 HA SER A 42 -6.370 -1.117 5.391 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.987 0.680 6.388 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.830 -0.178 7.386 1.00 0.00 H new ATOM 0 HG SER A 42 -6.859 2.080 7.819 1.00 0.00 H new ATOM 650 N MET A 43 -7.175 -0.601 3.125 1.00 0.00 N ATOM 651 CA MET A 43 -7.908 -0.352 1.891 1.00 0.00 C ATOM 652 C MET A 43 -9.375 -0.122 2.224 1.00 0.00 C ATOM 653 O MET A 43 -9.986 0.789 1.684 1.00 0.00 O ATOM 654 CB MET A 43 -7.755 -1.528 0.916 1.00 0.00 C ATOM 655 CG MET A 43 -6.399 -1.542 0.200 1.00 0.00 C ATOM 656 SD MET A 43 -5.952 -0.008 -0.661 1.00 0.00 S ATOM 657 CE MET A 43 -4.753 -0.645 -1.855 1.00 0.00 C ATOM 0 H MET A 43 -6.864 -1.565 3.243 1.00 0.00 H new ATOM 0 HA MET A 43 -7.501 0.534 1.405 1.00 0.00 H new ATOM 0 HB2 MET A 43 -7.881 -2.463 1.461 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.551 -1.482 0.173 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.624 -1.766 0.933 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.399 -2.357 -0.524 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.539 0.122 -2.600 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.833 -0.915 -1.337 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.164 -1.526 -2.349 1.00 0.00 H new ATOM 667 N CYS A 44 -9.920 -0.950 3.118 1.00 0.00 N ATOM 668 CA CYS A 44 -11.250 -0.828 3.691 1.00 0.00 C ATOM 669 C CYS A 44 -11.152 -1.527 5.043 1.00 0.00 C ATOM 670 O CYS A 44 -10.945 -0.915 6.086 1.00 0.00 O ATOM 671 CB CYS A 44 -12.269 -1.500 2.718 1.00 0.00 C ATOM 672 SG CYS A 44 -14.071 -1.419 2.916 1.00 0.00 S ATOM 0 H CYS A 44 -9.416 -1.762 3.475 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.594 0.197 3.829 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.054 -1.098 1.728 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -12.013 -2.559 2.695 1.00 0.00 H new ATOM 677 N ASN A 45 -11.129 -2.855 4.994 1.00 0.00 N ATOM 678 CA ASN A 45 -11.372 -3.769 6.107 1.00 0.00 C ATOM 679 C ASN A 45 -10.159 -3.903 7.030 1.00 0.00 C ATOM 680 O ASN A 45 -10.066 -4.867 7.784 1.00 0.00 O ATOM 681 CB ASN A 45 -11.757 -5.159 5.573 1.00 0.00 C ATOM 682 CG ASN A 45 -12.704 -5.121 4.384 1.00 0.00 C ATOM 683 OD1 ASN A 45 -12.269 -4.861 3.272 1.00 0.00 O ATOM 684 ND2 ASN A 45 -13.996 -5.297 4.536 1.00 0.00 N ATOM 0 H ASN A 45 -10.929 -3.352 4.126 1.00 0.00 H new ATOM 0 HA ASN A 45 -12.190 -3.347 6.691 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.850 -5.691 5.286 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -12.221 -5.731 6.377 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.620 -5.216 3.733 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -14.376 -5.515 5.457 1.00 0.00 H new ATOM 691 N ARG A 46 -9.216 -2.963 6.955 1.00 0.00 N ATOM 692 CA ARG A 46 -7.831 -3.028 7.428 1.00 0.00 C ATOM 693 C ARG A 46 -7.066 -4.216 6.846 1.00 0.00 C ATOM 694 O ARG A 46 -7.633 -5.171 6.323 1.00 0.00 O ATOM 695 CB ARG A 46 -7.778 -2.973 8.971 1.00 0.00 C ATOM 696 CG ARG A 46 -7.570 -1.544 9.490 1.00 0.00 C ATOM 697 CD ARG A 46 -6.078 -1.181 9.602 1.00 0.00 C ATOM 698 NE ARG A 46 -5.554 -1.443 10.949 1.00 0.00 N ATOM 699 CZ ARG A 46 -4.331 -1.829 11.323 1.00 0.00 C ATOM 700 NH1 ARG A 46 -3.432 -2.276 10.449 1.00 0.00 N ATOM 701 NH2 ARG A 46 -4.030 -1.753 12.614 1.00 0.00 N ATOM 0 H ARG A 46 -9.418 -2.060 6.526 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.312 -2.145 7.055 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.705 -3.376 9.380 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.969 -3.610 9.329 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.065 -0.840 8.821 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.042 -1.441 10.467 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.508 -1.756 8.872 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.940 -0.128 9.357 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.221 -1.311 11.709 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.668 -2.332 9.458 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.507 -2.562 10.770 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.722 -1.409 13.280 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.107 -2.038 12.940 1.00 0.00 H new ATOM 715 N PHE A 47 -5.743 -4.105 6.866 1.00 0.00 N ATOM 716 CA PHE A 47 -4.808 -5.189 6.649 1.00 0.00 C ATOM 717 C PHE A 47 -3.522 -4.861 7.387 1.00 0.00 C ATOM 718 O PHE A 47 -3.342 -3.774 7.949 1.00 0.00 O ATOM 719 CB PHE A 47 -4.593 -5.431 5.144 1.00 0.00 C ATOM 720 CG PHE A 47 -3.855 -4.330 4.405 1.00 0.00 C ATOM 721 CD1 PHE A 47 -4.565 -3.248 3.849 1.00 0.00 C ATOM 722 CD2 PHE A 47 -2.458 -4.391 4.265 1.00 0.00 C ATOM 723 CE1 PHE A 47 -3.877 -2.227 3.168 1.00 0.00 C ATOM 724 CE2 PHE A 47 -1.771 -3.366 3.597 1.00 0.00 C ATOM 725 CZ PHE A 47 -2.479 -2.288 3.038 1.00 0.00 C ATOM 0 H PHE A 47 -5.278 -3.215 7.042 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.203 -6.125 7.045 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.041 -6.362 5.019 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.566 -5.572 4.674 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.640 -3.202 3.946 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.912 -5.229 4.673 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.423 -1.397 2.745 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.695 -3.405 3.512 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.950 -1.509 2.510 1.00 0.00 H new ATOM 735 N SER A 48 -2.635 -5.842 7.420 1.00 0.00 N ATOM 736 CA SER A 48 -1.312 -5.753 7.991 1.00 0.00 C ATOM 737 C SER A 48 -0.510 -6.941 7.452 1.00 0.00 C ATOM 738 O SER A 48 -1.126 -7.921 7.018 1.00 0.00 O ATOM 739 CB SER A 48 -1.455 -5.791 9.518 1.00 0.00 C ATOM 740 OG SER A 48 -2.357 -6.786 9.981 1.00 0.00 O ATOM 0 H SER A 48 -2.833 -6.763 7.029 1.00 0.00 H new ATOM 0 HA SER A 48 -0.793 -4.832 7.726 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.475 -5.966 9.962 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.793 -4.815 9.867 1.00 0.00 H new ATOM 0 HG SER A 48 -2.401 -6.758 10.960 1.00 0.00 H new ATOM 746 N GLY A 49 0.829 -6.901 7.456 1.00 0.00 N ATOM 747 CA GLY A 49 1.591 -8.130 7.265 1.00 0.00 C ATOM 748 C GLY A 49 3.080 -7.870 7.145 1.00 0.00 C ATOM 749 O GLY A 49 3.503 -6.719 7.024 1.00 0.00 O ATOM 0 H GLY A 49 1.388 -6.057 7.585 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.408 -8.802 8.103 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.239 -8.637 6.367 1.00 0.00 H new ATOM 753 N GLU A 50 3.861 -8.948 7.194 1.00 0.00 N ATOM 754 CA GLU A 50 5.292 -8.965 6.929 1.00 0.00 C ATOM 755 C GLU A 50 5.519 -8.793 5.428 1.00 0.00 C ATOM 756 O GLU A 50 5.452 -9.760 4.657 1.00 0.00 O ATOM 757 CB GLU A 50 5.909 -10.268 7.470 1.00 0.00 C ATOM 758 CG GLU A 50 6.217 -10.143 8.968 1.00 0.00 C ATOM 759 CD GLU A 50 6.487 -11.496 9.633 1.00 0.00 C ATOM 760 OE1 GLU A 50 7.350 -12.273 9.161 1.00 0.00 O ATOM 761 OE2 GLU A 50 5.818 -11.781 10.656 1.00 0.00 O ATOM 0 H GLU A 50 3.495 -9.870 7.430 1.00 0.00 H new ATOM 0 HA GLU A 50 5.788 -8.141 7.442 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.222 -11.098 7.303 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.824 -10.497 6.924 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.085 -9.497 9.103 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.378 -9.659 9.468 1.00 0.00 H new ATOM 768 N GLY A 51 5.785 -7.551 5.029 1.00 0.00 N ATOM 769 CA GLY A 51 6.486 -7.235 3.796 1.00 0.00 C ATOM 770 C GLY A 51 7.969 -7.585 3.897 1.00 0.00 C ATOM 771 O GLY A 51 8.446 -8.062 4.935 1.00 0.00 O ATOM 0 H GLY A 51 5.514 -6.726 5.565 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.036 -7.783 2.968 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.375 -6.174 3.573 1.00 0.00 H new ATOM 775 N LYS A 52 8.698 -7.402 2.794 1.00 0.00 N ATOM 776 CA LYS A 52 10.127 -7.659 2.653 1.00 0.00 C ATOM 777 C LYS A 52 10.586 -7.014 1.345 1.00 0.00 C ATOM 778 O LYS A 52 9.784 -6.944 0.416 1.00 0.00 O ATOM 779 CB LYS A 52 10.315 -9.179 2.586 1.00 0.00 C ATOM 780 CG LYS A 52 11.777 -9.641 2.599 1.00 0.00 C ATOM 781 CD LYS A 52 11.837 -11.170 2.737 1.00 0.00 C ATOM 782 CE LYS A 52 11.268 -11.845 1.481 1.00 0.00 C ATOM 783 NZ LYS A 52 10.867 -13.242 1.729 1.00 0.00 N ATOM 0 H LYS A 52 8.282 -7.052 1.931 1.00 0.00 H new ATOM 0 HA LYS A 52 10.703 -7.252 3.484 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.796 -9.634 3.430 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.838 -9.552 1.680 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.275 -9.330 1.681 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.310 -9.171 3.426 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.868 -11.487 2.892 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.272 -11.485 3.614 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.406 -11.280 1.126 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.015 -11.819 0.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.489 -13.656 0.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.694 -13.790 2.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.135 -13.267 2.467 1.00 0.00 H new ATOM 797 N LEU A 53 11.846 -6.574 1.250 1.00 0.00 N ATOM 798 CA LEU A 53 12.413 -5.997 0.033 1.00 0.00 C ATOM 799 C LEU A 53 13.925 -6.172 0.049 1.00 0.00 C ATOM 800 O LEU A 53 14.590 -5.668 0.955 1.00 0.00 O ATOM 801 CB LEU A 53 12.068 -4.501 -0.054 1.00 0.00 C ATOM 802 CG LEU A 53 12.778 -3.760 -1.206 1.00 0.00 C ATOM 803 CD1 LEU A 53 12.431 -4.366 -2.568 1.00 0.00 C ATOM 804 CD2 LEU A 53 12.371 -2.292 -1.194 1.00 0.00 C ATOM 0 H LEU A 53 12.506 -6.611 2.027 1.00 0.00 H new ATOM 0 HA LEU A 53 11.993 -6.507 -0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.990 -4.394 -0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.331 -4.022 0.889 1.00 0.00 H new ATOM 0 HG LEU A 53 13.853 -3.858 -1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.950 -3.817 -3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.740 -5.411 -2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.355 -4.302 -2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.873 -1.769 -2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.292 -2.213 -1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.657 -1.843 -0.243 1.00 0.00 H new ATOM 816 N SER A 54 14.470 -6.865 -0.950 1.00 0.00 N ATOM 817 CA SER A 54 15.911 -7.014 -1.140 1.00 0.00 C ATOM 818 C SER A 54 16.181 -7.470 -2.584 1.00 0.00 C ATOM 819 O SER A 54 16.961 -8.397 -2.816 1.00 0.00 O ATOM 820 CB SER A 54 16.446 -7.992 -0.071 1.00 0.00 C ATOM 821 OG SER A 54 17.790 -7.713 0.270 1.00 0.00 O ATOM 0 H SER A 54 13.915 -7.345 -1.659 1.00 0.00 H new ATOM 0 HA SER A 54 16.440 -6.070 -1.007 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.824 -7.930 0.822 1.00 0.00 H new ATOM 0 HB3 SER A 54 16.370 -9.014 -0.442 1.00 0.00 H new ATOM 0 HG SER A 54 18.094 -8.350 0.950 1.00 0.00 H new ATOM 827 N ASN A 55 15.431 -6.920 -3.545 1.00 0.00 N ATOM 828 CA ASN A 55 15.257 -7.474 -4.887 1.00 0.00 C ATOM 829 C ASN A 55 14.461 -6.529 -5.779 1.00 0.00 C ATOM 830 O ASN A 55 14.895 -6.225 -6.886 1.00 0.00 O ATOM 831 CB ASN A 55 14.591 -8.872 -4.865 1.00 0.00 C ATOM 832 CG ASN A 55 13.303 -8.995 -4.049 1.00 0.00 C ATOM 833 OD1 ASN A 55 12.964 -8.149 -3.222 1.00 0.00 O ATOM 834 ND2 ASN A 55 12.596 -10.098 -4.178 1.00 0.00 N ATOM 0 H ASN A 55 14.914 -6.052 -3.404 1.00 0.00 H new ATOM 0 HA ASN A 55 16.258 -7.590 -5.303 1.00 0.00 H new ATOM 0 HB2 ASN A 55 14.375 -9.164 -5.893 1.00 0.00 H new ATOM 0 HB3 ASN A 55 15.313 -9.589 -4.475 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.773 -10.247 -3.594 1.00 0.00 H new ATOM 0 HD22 ASN A 55 12.871 -10.803 -4.861 1.00 0.00 H new ATOM 841 N GLY A 56 13.305 -6.087 -5.296 1.00 0.00 N ATOM 842 CA GLY A 56 12.364 -5.232 -6.018 1.00 0.00 C ATOM 843 C GLY A 56 10.923 -5.738 -5.955 1.00 0.00 C ATOM 844 O GLY A 56 10.070 -5.225 -6.675 1.00 0.00 O ATOM 0 H GLY A 56 12.984 -6.322 -4.357 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.407 -4.224 -5.604 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.673 -5.162 -7.061 1.00 0.00 H new ATOM 848 N GLU A 57 10.630 -6.738 -5.115 1.00 0.00 N ATOM 849 CA GLU A 57 9.319 -7.369 -5.047 1.00 0.00 C ATOM 850 C GLU A 57 8.884 -7.463 -3.585 1.00 0.00 C ATOM 851 O GLU A 57 9.678 -7.865 -2.731 1.00 0.00 O ATOM 852 CB GLU A 57 9.409 -8.746 -5.713 1.00 0.00 C ATOM 853 CG GLU A 57 8.041 -9.436 -5.810 1.00 0.00 C ATOM 854 CD GLU A 57 8.099 -10.713 -6.649 1.00 0.00 C ATOM 855 OE1 GLU A 57 9.120 -11.438 -6.595 1.00 0.00 O ATOM 856 OE2 GLU A 57 7.118 -10.999 -7.367 1.00 0.00 O ATOM 0 H GLU A 57 11.306 -7.131 -4.460 1.00 0.00 H new ATOM 0 HA GLU A 57 8.568 -6.782 -5.576 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.830 -8.637 -6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.093 -9.378 -5.146 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.685 -9.677 -4.808 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.318 -8.747 -6.248 1.00 0.00 H new ATOM 863 N LEU A 58 7.627 -7.111 -3.303 1.00 0.00 N ATOM 864 CA LEU A 58 7.052 -6.965 -1.973 1.00 0.00 C ATOM 865 C LEU A 58 5.939 -7.998 -1.747 1.00 0.00 C ATOM 866 O LEU A 58 4.750 -7.703 -1.890 1.00 0.00 O ATOM 867 CB LEU A 58 6.579 -5.506 -1.825 1.00 0.00 C ATOM 868 CG LEU A 58 5.943 -5.160 -0.469 1.00 0.00 C ATOM 869 CD1 LEU A 58 6.882 -5.522 0.683 1.00 0.00 C ATOM 870 CD2 LEU A 58 5.585 -3.673 -0.415 1.00 0.00 C ATOM 0 H LEU A 58 6.951 -6.910 -4.040 1.00 0.00 H new ATOM 0 HA LEU A 58 7.790 -7.166 -1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.431 -4.846 -1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.856 -5.293 -2.613 1.00 0.00 H new ATOM 0 HG LEU A 58 5.030 -5.746 -0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.409 -5.268 1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.093 -6.591 0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.814 -4.966 0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.135 -3.442 0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.488 -3.076 -0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.877 -3.440 -1.210 1.00 0.00 H new ATOM 882 N THR A 59 6.312 -9.224 -1.381 1.00 0.00 N ATOM 883 CA THR A 59 5.367 -10.303 -1.074 1.00 0.00 C ATOM 884 C THR A 59 4.856 -10.189 0.361 1.00 0.00 C ATOM 885 O THR A 59 5.613 -9.817 1.266 1.00 0.00 O ATOM 886 CB THR A 59 6.002 -11.683 -1.306 1.00 0.00 C ATOM 887 OG1 THR A 59 7.302 -11.817 -0.747 1.00 0.00 O ATOM 888 CG2 THR A 59 6.033 -11.989 -2.799 1.00 0.00 C ATOM 0 H THR A 59 7.289 -9.501 -1.288 1.00 0.00 H new ATOM 0 HA THR A 59 4.520 -10.200 -1.752 1.00 0.00 H new ATOM 0 HB THR A 59 5.376 -12.407 -0.784 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.645 -12.717 -0.929 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.484 -12.968 -2.960 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.016 -11.988 -3.192 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.621 -11.229 -3.314 1.00 0.00 H new ATOM 896 N ALA A 60 3.570 -10.470 0.591 1.00 0.00 N ATOM 897 CA ALA A 60 2.952 -10.541 1.910 1.00 0.00 C ATOM 898 C ALA A 60 3.044 -11.949 2.467 1.00 0.00 C ATOM 899 O ALA A 60 2.414 -12.871 1.952 1.00 0.00 O ATOM 900 CB ALA A 60 1.479 -10.132 1.857 1.00 0.00 C ATOM 0 H ALA A 60 2.912 -10.660 -0.165 1.00 0.00 H new ATOM 0 HA ALA A 60 3.493 -9.849 2.556 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.048 -10.196 2.856 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.399 -9.108 1.492 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.940 -10.800 1.186 1.00 0.00 H new ATOM 906 N LYS A 61 3.754 -12.099 3.583 1.00 0.00 N ATOM 907 CA LYS A 61 3.865 -13.376 4.285 1.00 0.00 C ATOM 908 C LYS A 61 2.537 -13.850 4.911 1.00 0.00 C ATOM 909 O LYS A 61 2.469 -14.974 5.406 1.00 0.00 O ATOM 910 CB LYS A 61 4.977 -13.256 5.339 1.00 0.00 C ATOM 911 CG LYS A 61 5.897 -14.481 5.347 1.00 0.00 C ATOM 912 CD LYS A 61 6.836 -14.403 6.555 1.00 0.00 C ATOM 913 CE LYS A 61 7.572 -15.732 6.735 1.00 0.00 C ATOM 914 NZ LYS A 61 8.217 -15.821 8.060 1.00 0.00 N ATOM 0 H LYS A 61 4.269 -11.338 4.026 1.00 0.00 H new ATOM 0 HA LYS A 61 4.119 -14.145 3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.567 -12.361 5.143 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.530 -13.133 6.325 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.304 -15.395 5.391 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.476 -14.521 4.424 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.555 -13.596 6.415 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.266 -14.169 7.454 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.869 -16.557 6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.326 -15.840 5.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.706 -16.735 8.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.905 -15.048 8.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.494 -15.743 8.804 1.00 0.00 H new ATOM 928 N GLY A 62 1.491 -13.020 4.941 1.00 0.00 N ATOM 929 CA GLY A 62 0.186 -13.362 5.499 1.00 0.00 C ATOM 930 C GLY A 62 -0.555 -12.073 5.827 1.00 0.00 C ATOM 931 O GLY A 62 -0.060 -11.282 6.634 1.00 0.00 O ATOM 0 H GLY A 62 1.532 -12.071 4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.386 -13.956 4.787 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.306 -13.969 6.397 1.00 0.00 H new ATOM 935 N LEU A 63 -1.684 -11.808 5.161 1.00 0.00 N ATOM 936 CA LEU A 63 -2.417 -10.559 5.261 1.00 0.00 C ATOM 937 C LEU A 63 -3.566 -10.697 6.244 1.00 0.00 C ATOM 938 O LEU A 63 -4.569 -11.350 5.968 1.00 0.00 O ATOM 939 CB LEU A 63 -2.938 -10.117 3.890 1.00 0.00 C ATOM 940 CG LEU A 63 -2.651 -8.634 3.666 1.00 0.00 C ATOM 941 CD1 LEU A 63 -1.239 -8.432 3.104 1.00 0.00 C ATOM 942 CD2 LEU A 63 -3.664 -7.998 2.718 1.00 0.00 C ATOM 0 H LEU A 63 -2.117 -12.477 4.525 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.733 -9.793 5.627 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.465 -10.708 3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.010 -10.301 3.825 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.731 -8.146 4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.057 -7.368 2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.507 -8.829 3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.148 -8.955 2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.425 -6.943 2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.626 -8.503 1.753 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.665 -8.093 3.138 1.00 0.00 H new ATOM 954 N ALA A 64 -3.417 -10.056 7.393 1.00 0.00 N ATOM 955 CA ALA A 64 -4.398 -10.137 8.466 1.00 0.00 C ATOM 956 C ALA A 64 -5.348 -8.946 8.399 1.00 0.00 C ATOM 957 O ALA A 64 -4.942 -7.814 8.680 1.00 0.00 O ATOM 958 CB ALA A 64 -3.699 -10.226 9.813 1.00 0.00 C ATOM 0 H ALA A 64 -2.614 -9.465 7.609 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.992 -11.043 8.344 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.444 -10.286 10.606 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.070 -11.116 9.838 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.081 -9.340 9.962 1.00 0.00 H new ATOM 964 N MET A 65 -6.595 -9.199 8.005 1.00 0.00 N ATOM 965 CA MET A 65 -7.643 -8.202 7.760 1.00 0.00 C ATOM 966 C MET A 65 -8.740 -8.322 8.826 1.00 0.00 C ATOM 967 O MET A 65 -8.636 -9.180 9.716 1.00 0.00 O ATOM 968 CB MET A 65 -8.198 -8.398 6.337 1.00 0.00 C ATOM 969 CG MET A 65 -7.084 -8.416 5.285 1.00 0.00 C ATOM 970 SD MET A 65 -7.646 -8.599 3.579 1.00 0.00 S ATOM 971 CE MET A 65 -7.888 -6.865 3.120 1.00 0.00 C ATOM 0 H MET A 65 -6.921 -10.151 7.839 1.00 0.00 H new ATOM 0 HA MET A 65 -7.232 -7.195 7.831 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.756 -9.333 6.291 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.900 -7.597 6.108 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.514 -7.491 5.366 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.400 -9.233 5.516 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.448 -6.810 2.186 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.444 -6.355 3.907 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.918 -6.384 2.990 1.00 0.00 H new ATOM 981 N THR A 66 -9.798 -7.508 8.752 1.00 0.00 N ATOM 982 CA THR A 66 -10.917 -7.544 9.697 1.00 0.00 C ATOM 983 C THR A 66 -12.272 -7.780 9.012 1.00 0.00 C ATOM 984 O THR A 66 -12.329 -8.016 7.802 1.00 0.00 O ATOM 985 CB THR A 66 -10.920 -6.318 10.630 1.00 0.00 C ATOM 986 OG1 THR A 66 -11.414 -5.160 10.001 1.00 0.00 O ATOM 987 CG2 THR A 66 -9.567 -5.977 11.263 1.00 0.00 C ATOM 0 H THR A 66 -9.902 -6.799 8.027 1.00 0.00 H new ATOM 0 HA THR A 66 -10.760 -8.416 10.332 1.00 0.00 H new ATOM 0 HB THR A 66 -11.589 -6.631 11.431 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.767 -4.849 9.334 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.675 -5.100 11.901 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.222 -6.821 11.861 1.00 0.00 H new ATOM 0 HG23 THR A 66 -8.841 -5.767 10.478 1.00 0.00 H new ATOM 995 N ARG A 67 -13.358 -7.728 9.798 1.00 0.00 N ATOM 996 CA ARG A 67 -14.732 -8.024 9.408 1.00 0.00 C ATOM 997 C ARG A 67 -15.638 -6.833 9.733 1.00 0.00 C ATOM 998 O ARG A 67 -16.403 -6.839 10.705 1.00 0.00 O ATOM 999 CB ARG A 67 -15.178 -9.384 9.961 1.00 0.00 C ATOM 1000 CG ARG A 67 -15.160 -9.498 11.492 1.00 0.00 C ATOM 1001 CD ARG A 67 -16.568 -9.711 12.037 1.00 0.00 C ATOM 1002 NE ARG A 67 -17.089 -11.044 11.705 1.00 0.00 N ATOM 1003 CZ ARG A 67 -18.361 -11.442 11.782 1.00 0.00 C ATOM 1004 NH1 ARG A 67 -19.313 -10.648 12.257 1.00 0.00 N ATOM 1005 NH2 ARG A 67 -18.685 -12.657 11.378 1.00 0.00 N ATOM 0 H ARG A 67 -13.289 -7.462 10.780 1.00 0.00 H new ATOM 0 HA ARG A 67 -14.809 -8.145 8.327 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -16.189 -9.589 9.608 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -14.532 -10.158 9.546 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -14.520 -10.328 11.792 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -14.732 -8.593 11.923 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -16.561 -9.583 13.119 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -17.234 -8.950 11.630 1.00 0.00 H new ATOM 0 HE ARG A 67 -16.411 -11.735 11.383 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -19.081 -9.707 12.575 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -20.277 -10.979 12.304 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -17.966 -13.281 11.012 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -19.654 -12.971 11.433 1.00 0.00 H new ATOM 1019 N MET A 68 -15.526 -5.775 8.935 1.00 0.00 N ATOM 1020 CA MET A 68 -16.393 -4.611 8.981 1.00 0.00 C ATOM 1021 C MET A 68 -16.674 -4.059 7.581 1.00 0.00 C ATOM 1022 O MET A 68 -15.873 -4.252 6.666 1.00 0.00 O ATOM 1023 CB MET A 68 -15.739 -3.529 9.843 1.00 0.00 C ATOM 1024 CG MET A 68 -14.332 -3.151 9.375 1.00 0.00 C ATOM 1025 SD MET A 68 -13.779 -1.541 9.976 1.00 0.00 S ATOM 1026 CE MET A 68 -13.066 -0.964 8.418 1.00 0.00 C ATOM 0 H MET A 68 -14.805 -5.706 8.217 1.00 0.00 H new ATOM 0 HA MET A 68 -17.346 -4.913 9.415 1.00 0.00 H new ATOM 0 HB2 MET A 68 -16.368 -2.639 9.836 1.00 0.00 H new ATOM 0 HB3 MET A 68 -15.690 -3.877 10.875 1.00 0.00 H new ATOM 0 HG2 MET A 68 -13.630 -3.915 9.709 1.00 0.00 H new ATOM 0 HG3 MET A 68 -14.308 -3.150 8.285 1.00 0.00 H new ATOM 0 HE1 MET A 68 -12.783 0.084 8.514 1.00 0.00 H new ATOM 0 HE2 MET A 68 -12.184 -1.558 8.179 1.00 0.00 H new ATOM 0 HE3 MET A 68 -13.801 -1.070 7.620 1.00 0.00 H new ATOM 1036 N MET A 69 -17.771 -3.307 7.452 1.00 0.00 N ATOM 1037 CA MET A 69 -18.261 -2.666 6.250 1.00 0.00 C ATOM 1038 C MET A 69 -17.975 -1.171 6.326 1.00 0.00 C ATOM 1039 O MET A 69 -18.248 -0.529 7.345 1.00 0.00 O ATOM 1040 CB MET A 69 -19.750 -2.915 6.066 1.00 0.00 C ATOM 1041 CG MET A 69 -20.081 -4.372 5.710 1.00 0.00 C ATOM 1042 SD MET A 69 -19.847 -5.619 7.014 1.00 0.00 S ATOM 1043 CE MET A 69 -18.702 -6.726 6.141 1.00 0.00 C ATOM 0 H MET A 69 -18.378 -3.123 8.251 1.00 0.00 H new ATOM 0 HA MET A 69 -17.747 -3.091 5.388 1.00 0.00 H new ATOM 0 HB2 MET A 69 -20.273 -2.644 6.983 1.00 0.00 H new ATOM 0 HB3 MET A 69 -20.127 -2.261 5.279 1.00 0.00 H new ATOM 0 HG2 MET A 69 -21.121 -4.413 5.386 1.00 0.00 H new ATOM 0 HG3 MET A 69 -19.469 -4.658 4.855 1.00 0.00 H new ATOM 0 HE1 MET A 69 -18.440 -7.563 6.789 1.00 0.00 H new ATOM 0 HE2 MET A 69 -19.179 -7.103 5.236 1.00 0.00 H new ATOM 0 HE3 MET A 69 -17.799 -6.178 5.873 1.00 0.00 H new ATOM 1053 N CYS A 70 -17.469 -0.619 5.228 1.00 0.00 N ATOM 1054 CA CYS A 70 -16.991 0.763 5.109 1.00 0.00 C ATOM 1055 C CYS A 70 -17.983 1.723 4.448 1.00 0.00 C ATOM 1056 O CYS A 70 -17.685 2.921 4.383 1.00 0.00 O ATOM 1057 CB CYS A 70 -15.691 0.843 4.299 1.00 0.00 C ATOM 1058 SG CYS A 70 -14.240 -0.159 4.826 1.00 0.00 S ATOM 0 H CYS A 70 -17.375 -1.141 4.357 1.00 0.00 H new ATOM 0 HA CYS A 70 -16.842 1.072 6.144 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -15.927 0.564 3.272 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -15.379 1.887 4.282 1.00 0.00 H new ATOM 1063 N ALA A 71 -19.106 1.229 3.922 1.00 0.00 N ATOM 1064 CA ALA A 71 -20.056 1.920 3.052 1.00 0.00 C ATOM 1065 C ALA A 71 -19.501 2.251 1.667 1.00 0.00 C ATOM 1066 O ALA A 71 -20.186 1.985 0.676 1.00 0.00 O ATOM 1067 CB ALA A 71 -20.670 3.151 3.727 1.00 0.00 C ATOM 0 H ALA A 71 -19.394 0.268 4.107 1.00 0.00 H new ATOM 0 HA ALA A 71 -20.859 1.203 2.882 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -21.369 3.631 3.042 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -21.199 2.845 4.630 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -19.880 3.854 3.990 1.00 0.00 H new ATOM 1073 N ASN A 72 -18.277 2.771 1.566 1.00 0.00 N ATOM 1074 CA ASN A 72 -17.746 3.144 0.258 1.00 0.00 C ATOM 1075 C ASN A 72 -17.508 1.872 -0.555 1.00 0.00 C ATOM 1076 O ASN A 72 -16.984 0.916 0.023 1.00 0.00 O ATOM 1077 CB ASN A 72 -16.408 3.867 0.457 1.00 0.00 C ATOM 1078 CG ASN A 72 -16.028 4.679 -0.776 1.00 0.00 C ATOM 1079 OD1 ASN A 72 -16.811 5.466 -1.282 1.00 0.00 O ATOM 1080 ND2 ASN A 72 -14.819 4.546 -1.289 1.00 0.00 N ATOM 0 H ASN A 72 -17.650 2.940 2.353 1.00 0.00 H new ATOM 0 HA ASN A 72 -18.448 3.795 -0.263 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -16.474 4.526 1.323 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -15.626 3.138 0.670 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -14.546 5.099 -2.102 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.158 3.891 -0.873 1.00 0.00 H new ATOM 1087 N PRO A 73 -17.754 1.868 -1.875 1.00 0.00 N ATOM 1088 CA PRO A 73 -17.512 0.694 -2.700 1.00 0.00 C ATOM 1089 C PRO A 73 -16.034 0.557 -3.033 1.00 0.00 C ATOM 1090 O PRO A 73 -15.495 -0.540 -3.010 1.00 0.00 O ATOM 1091 CB PRO A 73 -18.341 0.906 -3.966 1.00 0.00 C ATOM 1092 CG PRO A 73 -18.511 2.422 -4.068 1.00 0.00 C ATOM 1093 CD PRO A 73 -18.507 2.873 -2.614 1.00 0.00 C ATOM 0 HA PRO A 73 -17.794 -0.224 -2.184 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -17.834 0.504 -4.843 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.305 0.403 -3.897 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -17.700 2.881 -4.634 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.441 2.690 -4.570 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -18.046 3.856 -2.513 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -19.524 2.957 -2.230 1.00 0.00 H new ATOM 1101 N GLN A 74 -15.376 1.674 -3.345 1.00 0.00 N ATOM 1102 CA GLN A 74 -14.030 1.676 -3.896 1.00 0.00 C ATOM 1103 C GLN A 74 -13.039 1.039 -2.913 1.00 0.00 C ATOM 1104 O GLN A 74 -12.248 0.184 -3.298 1.00 0.00 O ATOM 1105 CB GLN A 74 -13.665 3.115 -4.292 1.00 0.00 C ATOM 1106 CG GLN A 74 -12.674 3.139 -5.459 1.00 0.00 C ATOM 1107 CD GLN A 74 -12.385 4.551 -5.986 1.00 0.00 C ATOM 1108 OE1 GLN A 74 -13.018 5.526 -5.589 1.00 0.00 O ATOM 1109 NE2 GLN A 74 -11.461 4.690 -6.919 1.00 0.00 N ATOM 0 H GLN A 74 -15.769 2.607 -3.220 1.00 0.00 H new ATOM 0 HA GLN A 74 -13.980 1.062 -4.795 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.569 3.658 -4.569 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.233 3.631 -3.435 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.738 2.680 -5.140 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -13.068 2.529 -6.272 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.939 3.877 -7.245 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -11.270 5.611 -7.314 1.00 0.00 H new ATOM 1118 N LEU A 75 -13.118 1.395 -1.626 1.00 0.00 N ATOM 1119 CA LEU A 75 -12.419 0.746 -0.538 1.00 0.00 C ATOM 1120 C LEU A 75 -12.674 -0.765 -0.559 1.00 0.00 C ATOM 1121 O LEU A 75 -11.733 -1.554 -0.527 1.00 0.00 O ATOM 1122 CB LEU A 75 -12.926 1.403 0.762 1.00 0.00 C ATOM 1123 CG LEU A 75 -12.426 2.844 1.048 1.00 0.00 C ATOM 1124 CD1 LEU A 75 -11.687 3.603 -0.063 1.00 0.00 C ATOM 1125 CD2 LEU A 75 -13.365 3.766 1.831 1.00 0.00 C ATOM 0 H LEU A 75 -13.696 2.175 -1.313 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.339 0.869 -0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.016 1.419 0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.638 0.769 1.600 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.635 2.551 1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -11.406 4.592 0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -10.791 3.051 -0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.339 3.705 -0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -12.894 4.740 1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.299 3.885 1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.572 3.330 2.808 1.00 0.00 H new ATOM 1137 N ASN A 76 -13.946 -1.159 -0.594 1.00 0.00 N ATOM 1138 CA ASN A 76 -14.439 -2.541 -0.512 1.00 0.00 C ATOM 1139 C ASN A 76 -14.144 -3.364 -1.777 1.00 0.00 C ATOM 1140 O ASN A 76 -14.525 -4.530 -1.851 1.00 0.00 O ATOM 1141 CB ASN A 76 -15.956 -2.485 -0.254 1.00 0.00 C ATOM 1142 CG ASN A 76 -16.390 -2.994 1.105 1.00 0.00 C ATOM 1143 OD1 ASN A 76 -15.959 -4.041 1.574 1.00 0.00 O ATOM 1144 ND2 ASN A 76 -17.270 -2.279 1.793 1.00 0.00 N ATOM 0 H ASN A 76 -14.707 -0.486 -0.686 1.00 0.00 H new ATOM 0 HA ASN A 76 -13.916 -3.046 0.300 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.291 -1.453 -0.364 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -16.463 -3.068 -1.023 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -17.585 -2.601 2.708 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -17.632 -1.407 1.407 1.00 0.00 H new ATOM 1151 N GLU A 77 -13.515 -2.762 -2.784 1.00 0.00 N ATOM 1152 CA GLU A 77 -12.988 -3.408 -3.979 1.00 0.00 C ATOM 1153 C GLU A 77 -11.473 -3.572 -3.851 1.00 0.00 C ATOM 1154 O GLU A 77 -10.905 -4.591 -4.257 1.00 0.00 O ATOM 1155 CB GLU A 77 -13.333 -2.530 -5.182 1.00 0.00 C ATOM 1156 CG GLU A 77 -14.728 -2.819 -5.747 1.00 0.00 C ATOM 1157 CD GLU A 77 -14.667 -3.741 -6.960 1.00 0.00 C ATOM 1158 OE1 GLU A 77 -13.827 -4.673 -7.003 1.00 0.00 O ATOM 1159 OE2 GLU A 77 -15.428 -3.486 -7.918 1.00 0.00 O ATOM 0 H GLU A 77 -13.352 -1.755 -2.786 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.427 -4.398 -4.106 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.274 -1.482 -4.890 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.590 -2.685 -5.964 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.346 -3.276 -4.974 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.208 -1.881 -6.027 1.00 0.00 H new ATOM 1166 N LEU A 78 -10.814 -2.546 -3.308 1.00 0.00 N ATOM 1167 CA LEU A 78 -9.373 -2.471 -3.116 1.00 0.00 C ATOM 1168 C LEU A 78 -8.880 -3.473 -2.081 1.00 0.00 C ATOM 1169 O LEU A 78 -7.711 -3.859 -2.129 1.00 0.00 O ATOM 1170 CB LEU A 78 -9.003 -1.043 -2.682 1.00 0.00 C ATOM 1171 CG LEU A 78 -8.481 -0.127 -3.795 1.00 0.00 C ATOM 1172 CD1 LEU A 78 -9.349 -0.081 -5.057 1.00 0.00 C ATOM 1173 CD2 LEU A 78 -8.365 1.294 -3.227 1.00 0.00 C ATOM 0 H LEU A 78 -11.296 -1.710 -2.977 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.889 -2.720 -4.060 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -9.883 -0.578 -2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -8.245 -1.105 -1.901 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.523 -0.540 -4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.897 0.593 -5.785 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.422 -1.081 -5.485 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.346 0.278 -4.800 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.995 1.966 -4.001 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.345 1.633 -2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.673 1.294 -2.385 1.00 0.00 H new ATOM 1185 N ASP A 79 -9.743 -3.906 -1.161 1.00 0.00 N ATOM 1186 CA ASP A 79 -9.422 -4.937 -0.182 1.00 0.00 C ATOM 1187 C ASP A 79 -9.001 -6.240 -0.853 1.00 0.00 C ATOM 1188 O ASP A 79 -8.123 -6.930 -0.332 1.00 0.00 O ATOM 1189 CB ASP A 79 -10.596 -5.174 0.775 1.00 0.00 C ATOM 1190 CG ASP A 79 -11.553 -6.266 0.293 1.00 0.00 C ATOM 1191 OD1 ASP A 79 -12.154 -6.095 -0.787 1.00 0.00 O ATOM 1192 OD2 ASP A 79 -11.712 -7.292 0.992 1.00 0.00 O ATOM 0 H ASP A 79 -10.693 -3.545 -1.076 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.574 -4.577 0.400 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.208 -5.447 1.756 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.149 -4.243 0.899 1.00 0.00 H new ATOM 1197 N ASN A 80 -9.579 -6.576 -2.007 1.00 0.00 N ATOM 1198 CA ASN A 80 -9.189 -7.779 -2.722 1.00 0.00 C ATOM 1199 C ASN A 80 -8.020 -7.479 -3.633 1.00 0.00 C ATOM 1200 O ASN A 80 -7.122 -8.311 -3.707 1.00 0.00 O ATOM 1201 CB ASN A 80 -10.355 -8.422 -3.476 1.00 0.00 C ATOM 1202 CG ASN A 80 -11.344 -9.084 -2.523 1.00 0.00 C ATOM 1203 OD1 ASN A 80 -10.968 -9.593 -1.468 1.00 0.00 O ATOM 1204 ND2 ASN A 80 -12.621 -9.100 -2.854 1.00 0.00 N ATOM 0 H ASN A 80 -10.314 -6.032 -2.460 1.00 0.00 H new ATOM 0 HA ASN A 80 -8.875 -8.519 -1.986 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -10.870 -7.664 -4.066 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.971 -9.164 -4.176 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -13.303 -9.536 -2.234 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -12.926 -8.676 -3.730 1.00 0.00 H new ATOM 1211 N THR A 81 -7.972 -6.289 -4.245 1.00 0.00 N ATOM 1212 CA THR A 81 -6.828 -5.875 -5.047 1.00 0.00 C ATOM 1213 C THR A 81 -5.537 -6.035 -4.239 1.00 0.00 C ATOM 1214 O THR A 81 -4.621 -6.727 -4.674 1.00 0.00 O ATOM 1215 CB THR A 81 -6.996 -4.436 -5.558 1.00 0.00 C ATOM 1216 OG1 THR A 81 -8.316 -4.178 -5.997 1.00 0.00 O ATOM 1217 CG2 THR A 81 -6.061 -4.145 -6.731 1.00 0.00 C ATOM 0 H THR A 81 -8.720 -5.597 -4.196 1.00 0.00 H new ATOM 0 HA THR A 81 -6.768 -6.520 -5.924 1.00 0.00 H new ATOM 0 HB THR A 81 -6.755 -3.795 -4.710 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.381 -3.252 -6.312 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.207 -3.118 -7.067 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.027 -4.279 -6.414 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.281 -4.829 -7.550 1.00 0.00 H new ATOM 1225 N ILE A 82 -5.451 -5.424 -3.051 1.00 0.00 N ATOM 1226 CA ILE A 82 -4.199 -5.452 -2.313 1.00 0.00 C ATOM 1227 C ILE A 82 -3.857 -6.866 -1.852 1.00 0.00 C ATOM 1228 O ILE A 82 -2.684 -7.248 -1.859 1.00 0.00 O ATOM 1229 CB ILE A 82 -4.211 -4.435 -1.156 1.00 0.00 C ATOM 1230 CG1 ILE A 82 -2.771 -4.172 -0.681 1.00 0.00 C ATOM 1231 CG2 ILE A 82 -5.093 -4.847 0.039 1.00 0.00 C ATOM 1232 CD1 ILE A 82 -1.942 -3.403 -1.728 1.00 0.00 C ATOM 0 H ILE A 82 -6.213 -4.920 -2.597 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.400 -5.146 -2.989 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.658 -3.525 -1.556 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.795 -3.604 0.249 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.284 -5.122 -0.461 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.045 -4.077 0.809 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.124 -4.965 -0.293 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.734 -5.791 0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.934 -3.242 -1.347 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.893 -3.982 -2.650 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.412 -2.440 -1.929 1.00 0.00 H new ATOM 1244 N SER A 83 -4.873 -7.634 -1.453 1.00 0.00 N ATOM 1245 CA SER A 83 -4.680 -8.992 -1.005 1.00 0.00 C ATOM 1246 C SER A 83 -4.049 -9.810 -2.131 1.00 0.00 C ATOM 1247 O SER A 83 -3.041 -10.477 -1.904 1.00 0.00 O ATOM 1248 CB SER A 83 -6.025 -9.580 -0.547 1.00 0.00 C ATOM 1249 OG SER A 83 -6.172 -9.558 0.859 1.00 0.00 O ATOM 0 H SER A 83 -5.844 -7.323 -1.436 1.00 0.00 H new ATOM 0 HA SER A 83 -4.002 -9.019 -0.152 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.839 -9.017 -1.004 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.109 -10.607 -0.902 1.00 0.00 H new ATOM 0 HG SER A 83 -6.921 -8.974 1.100 1.00 0.00 H new ATOM 1255 N GLU A 84 -4.614 -9.731 -3.330 1.00 0.00 N ATOM 1256 CA GLU A 84 -4.199 -10.483 -4.497 1.00 0.00 C ATOM 1257 C GLU A 84 -2.802 -10.059 -4.962 1.00 0.00 C ATOM 1258 O GLU A 84 -1.955 -10.928 -5.183 1.00 0.00 O ATOM 1259 CB GLU A 84 -5.280 -10.256 -5.561 1.00 0.00 C ATOM 1260 CG GLU A 84 -5.123 -11.140 -6.798 1.00 0.00 C ATOM 1261 CD GLU A 84 -6.395 -11.132 -7.658 1.00 0.00 C ATOM 1262 OE1 GLU A 84 -7.078 -10.089 -7.814 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -6.792 -12.198 -8.171 1.00 0.00 O ATOM 0 H GLU A 84 -5.405 -9.115 -3.518 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.109 -11.548 -4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.258 -10.439 -5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.260 -9.210 -5.868 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.278 -10.791 -7.392 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.896 -12.161 -6.491 1.00 0.00 H new ATOM 1270 N MET A 85 -2.543 -8.745 -5.049 1.00 0.00 N ATOM 1271 CA MET A 85 -1.280 -8.182 -5.519 1.00 0.00 C ATOM 1272 C MET A 85 -0.142 -8.696 -4.644 1.00 0.00 C ATOM 1273 O MET A 85 0.856 -9.239 -5.117 1.00 0.00 O ATOM 1274 CB MET A 85 -1.346 -6.644 -5.488 1.00 0.00 C ATOM 1275 CG MET A 85 -2.185 -6.051 -6.627 1.00 0.00 C ATOM 1276 SD MET A 85 -2.381 -4.244 -6.533 1.00 0.00 S ATOM 1277 CE MET A 85 -0.813 -3.730 -7.266 1.00 0.00 C ATOM 0 H MET A 85 -3.225 -8.033 -4.787 1.00 0.00 H new ATOM 0 HA MET A 85 -1.099 -8.492 -6.548 1.00 0.00 H new ATOM 0 HB2 MET A 85 -1.764 -6.324 -4.533 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.334 -6.242 -5.544 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.720 -6.307 -7.579 1.00 0.00 H new ATOM 0 HG3 MET A 85 -3.171 -6.515 -6.618 1.00 0.00 H new ATOM 0 HE1 MET A 85 -0.813 -2.649 -7.403 1.00 0.00 H new ATOM 0 HE2 MET A 85 0.007 -4.012 -6.606 1.00 0.00 H new ATOM 0 HE3 MET A 85 -0.686 -4.218 -8.232 1.00 0.00 H new ATOM 1287 N LEU A 86 -0.301 -8.539 -3.331 1.00 0.00 N ATOM 1288 CA LEU A 86 0.768 -8.809 -2.385 1.00 0.00 C ATOM 1289 C LEU A 86 0.972 -10.306 -2.192 1.00 0.00 C ATOM 1290 O LEU A 86 2.035 -10.705 -1.725 1.00 0.00 O ATOM 1291 CB LEU A 86 0.430 -8.184 -1.027 1.00 0.00 C ATOM 1292 CG LEU A 86 0.484 -6.653 -0.893 1.00 0.00 C ATOM 1293 CD1 LEU A 86 1.766 -6.280 -0.143 1.00 0.00 C ATOM 1294 CD2 LEU A 86 0.429 -5.852 -2.189 1.00 0.00 C ATOM 0 H LEU A 86 -1.170 -8.223 -2.900 1.00 0.00 H new ATOM 0 HA LEU A 86 1.684 -8.376 -2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.575 -8.506 -0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.111 -8.606 -0.288 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.428 -6.383 -0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.824 -5.197 -0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.757 -6.741 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.631 -6.636 -0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.475 -4.787 -1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.274 -6.124 -2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.501 -6.071 -2.713 1.00 0.00 H new ATOM 1306 N LYS A 87 -0.041 -11.130 -2.469 1.00 0.00 N ATOM 1307 CA LYS A 87 0.058 -12.571 -2.289 1.00 0.00 C ATOM 1308 C LYS A 87 1.062 -13.107 -3.298 1.00 0.00 C ATOM 1309 O LYS A 87 1.947 -13.868 -2.916 1.00 0.00 O ATOM 1310 CB LYS A 87 -1.322 -13.247 -2.437 1.00 0.00 C ATOM 1311 CG LYS A 87 -1.781 -13.844 -1.097 1.00 0.00 C ATOM 1312 CD LYS A 87 -3.307 -13.940 -1.001 1.00 0.00 C ATOM 1313 CE LYS A 87 -3.677 -14.529 0.365 1.00 0.00 C ATOM 1314 NZ LYS A 87 -5.074 -14.245 0.746 1.00 0.00 N ATOM 0 H LYS A 87 -0.945 -10.815 -2.822 1.00 0.00 H new ATOM 0 HA LYS A 87 0.403 -12.799 -1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.054 -12.518 -2.786 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.269 -14.032 -3.191 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.347 -14.837 -0.976 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.405 -13.230 -0.279 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.756 -12.954 -1.122 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.697 -14.568 -1.802 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.522 -15.608 0.345 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.008 -14.124 1.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.272 -14.665 1.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.219 -13.216 0.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.717 -14.654 0.038 1.00 0.00 H new ATOM 1328 N GLU A 88 0.939 -12.687 -4.558 1.00 0.00 N ATOM 1329 CA GLU A 88 1.873 -13.092 -5.596 1.00 0.00 C ATOM 1330 C GLU A 88 3.213 -12.400 -5.392 1.00 0.00 C ATOM 1331 O GLU A 88 4.233 -13.086 -5.345 1.00 0.00 O ATOM 1332 CB GLU A 88 1.302 -12.829 -6.996 1.00 0.00 C ATOM 1333 CG GLU A 88 0.113 -13.772 -7.217 1.00 0.00 C ATOM 1334 CD GLU A 88 -0.472 -13.778 -8.626 1.00 0.00 C ATOM 1335 OE1 GLU A 88 0.212 -13.413 -9.613 1.00 0.00 O ATOM 1336 OE2 GLU A 88 -1.638 -14.210 -8.747 1.00 0.00 O ATOM 0 H GLU A 88 0.198 -12.065 -4.880 1.00 0.00 H new ATOM 0 HA GLU A 88 2.032 -14.168 -5.520 1.00 0.00 H new ATOM 0 HB2 GLU A 88 0.985 -11.790 -7.087 1.00 0.00 H new ATOM 0 HB3 GLU A 88 2.066 -12.997 -7.755 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.426 -14.786 -6.969 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.677 -13.502 -6.516 1.00 0.00 H new ATOM 1343 N GLY A 89 3.227 -11.072 -5.240 1.00 0.00 N ATOM 1344 CA GLY A 89 4.463 -10.311 -5.260 1.00 0.00 C ATOM 1345 C GLY A 89 4.266 -9.101 -6.138 1.00 0.00 C ATOM 1346 O GLY A 89 4.336 -9.190 -7.363 1.00 0.00 O ATOM 0 H GLY A 89 2.389 -10.507 -5.102 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.736 -10.006 -4.250 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.280 -10.925 -5.639 1.00 0.00 H new ATOM 1350 N ALA A 90 3.971 -7.972 -5.500 1.00 0.00 N ATOM 1351 CA ALA A 90 3.932 -6.708 -6.212 1.00 0.00 C ATOM 1352 C ALA A 90 5.369 -6.301 -6.496 1.00 0.00 C ATOM 1353 O ALA A 90 6.188 -6.299 -5.574 1.00 0.00 O ATOM 1354 CB ALA A 90 3.204 -5.652 -5.382 1.00 0.00 C ATOM 0 H ALA A 90 3.759 -7.910 -4.504 1.00 0.00 H new ATOM 0 HA ALA A 90 3.384 -6.805 -7.149 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.183 -4.710 -5.929 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.183 -5.982 -5.188 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.725 -5.510 -4.435 1.00 0.00 H new ATOM 1360 N GLN A 91 5.670 -5.938 -7.740 1.00 0.00 N ATOM 1361 CA GLN A 91 6.833 -5.135 -8.028 1.00 0.00 C ATOM 1362 C GLN A 91 6.617 -3.808 -7.315 1.00 0.00 C ATOM 1363 O GLN A 91 5.536 -3.207 -7.388 1.00 0.00 O ATOM 1364 CB GLN A 91 7.006 -4.948 -9.540 1.00 0.00 C ATOM 1365 CG GLN A 91 7.352 -6.254 -10.273 1.00 0.00 C ATOM 1366 CD GLN A 91 8.567 -6.962 -9.669 1.00 0.00 C ATOM 1367 OE1 GLN A 91 9.695 -6.496 -9.747 1.00 0.00 O ATOM 1368 NE2 GLN A 91 8.383 -8.133 -9.082 1.00 0.00 N ATOM 0 H GLN A 91 5.118 -6.192 -8.559 1.00 0.00 H new ATOM 0 HA GLN A 91 7.748 -5.614 -7.680 1.00 0.00 H new ATOM 0 HB2 GLN A 91 6.087 -4.537 -9.957 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.793 -4.217 -9.722 1.00 0.00 H new ATOM 0 HG2 GLN A 91 6.492 -6.923 -10.241 1.00 0.00 H new ATOM 0 HG3 GLN A 91 7.547 -6.037 -11.323 1.00 0.00 H new ATOM 0 HE21 GLN A 91 7.445 -8.527 -9.014 1.00 0.00 H new ATOM 0 HE22 GLN A 91 9.179 -8.642 -8.698 1.00 0.00 H new ATOM 1377 N VAL A 92 7.640 -3.397 -6.587 1.00 0.00 N ATOM 1378 CA VAL A 92 7.669 -2.187 -5.806 1.00 0.00 C ATOM 1379 C VAL A 92 8.792 -1.377 -6.423 1.00 0.00 C ATOM 1380 O VAL A 92 9.912 -1.869 -6.566 1.00 0.00 O ATOM 1381 CB VAL A 92 7.808 -2.532 -4.305 1.00 0.00 C ATOM 1382 CG1 VAL A 92 8.989 -3.454 -3.971 1.00 0.00 C ATOM 1383 CG2 VAL A 92 7.889 -1.262 -3.445 1.00 0.00 C ATOM 0 H VAL A 92 8.510 -3.926 -6.526 1.00 0.00 H new ATOM 0 HA VAL A 92 6.756 -1.592 -5.830 1.00 0.00 H new ATOM 0 HB VAL A 92 6.902 -3.088 -4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 92 9.011 -3.643 -2.898 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.876 -4.398 -4.504 1.00 0.00 H new ATOM 0 HG13 VAL A 92 9.921 -2.976 -4.274 1.00 0.00 H new ATOM 0 HG21 VAL A 92 7.986 -1.539 -2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 92 8.755 -0.673 -3.747 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.983 -0.671 -3.582 1.00 0.00 H new ATOM 1393 N ASP A 93 8.487 -0.154 -6.834 1.00 0.00 N ATOM 1394 CA ASP A 93 9.486 0.774 -7.310 1.00 0.00 C ATOM 1395 C ASP A 93 9.123 2.124 -6.730 1.00 0.00 C ATOM 1396 O ASP A 93 7.950 2.488 -6.614 1.00 0.00 O ATOM 1397 CB ASP A 93 9.585 0.766 -8.844 1.00 0.00 C ATOM 1398 CG ASP A 93 10.889 0.094 -9.274 1.00 0.00 C ATOM 1399 OD1 ASP A 93 11.965 0.612 -8.876 1.00 0.00 O ATOM 1400 OD2 ASP A 93 10.849 -0.933 -9.991 1.00 0.00 O ATOM 0 H ASP A 93 7.537 0.217 -6.844 1.00 0.00 H new ATOM 0 HA ASP A 93 10.486 0.492 -6.981 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.734 0.235 -9.270 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.548 1.786 -9.226 1.00 0.00 H new ATOM 1405 N LEU A 94 10.136 2.851 -6.280 1.00 0.00 N ATOM 1406 CA LEU A 94 9.990 4.154 -5.672 1.00 0.00 C ATOM 1407 C LEU A 94 11.024 5.046 -6.314 1.00 0.00 C ATOM 1408 O LEU A 94 12.225 4.808 -6.195 1.00 0.00 O ATOM 1409 CB LEU A 94 10.141 4.058 -4.153 1.00 0.00 C ATOM 1410 CG LEU A 94 10.466 5.374 -3.443 1.00 0.00 C ATOM 1411 CD1 LEU A 94 9.449 6.475 -3.695 1.00 0.00 C ATOM 1412 CD2 LEU A 94 10.535 5.163 -1.937 1.00 0.00 C ATOM 0 H LEU A 94 11.105 2.537 -6.332 1.00 0.00 H new ATOM 0 HA LEU A 94 8.997 4.573 -5.837 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.216 3.659 -3.737 1.00 0.00 H new ATOM 0 HB3 LEU A 94 10.928 3.339 -3.928 1.00 0.00 H new ATOM 0 HG LEU A 94 11.425 5.688 -3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.748 7.376 -3.159 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.400 6.688 -4.763 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.469 6.152 -3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 94 10.767 6.109 -1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.575 4.794 -1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 94 11.313 4.435 -1.707 1.00 0.00 H new ATOM 1424 N THR A 95 10.522 6.052 -7.009 1.00 0.00 N ATOM 1425 CA THR A 95 11.309 7.122 -7.584 1.00 0.00 C ATOM 1426 C THR A 95 11.601 8.191 -6.523 1.00 0.00 C ATOM 1427 O THR A 95 11.464 7.948 -5.325 1.00 0.00 O ATOM 1428 CB THR A 95 10.609 7.699 -8.836 1.00 0.00 C ATOM 1429 OG1 THR A 95 9.518 6.928 -9.313 1.00 0.00 O ATOM 1430 CG2 THR A 95 11.630 7.868 -9.958 1.00 0.00 C ATOM 0 H THR A 95 9.523 6.147 -7.193 1.00 0.00 H new ATOM 0 HA THR A 95 12.269 6.728 -7.916 1.00 0.00 H new ATOM 0 HB THR A 95 10.190 8.656 -8.525 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.132 7.361 -10.102 1.00 0.00 H new ATOM 0 HG21 THR A 95 11.137 8.275 -10.841 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.416 8.550 -9.635 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.067 6.900 -10.201 1.00 0.00 H new ATOM 1438 N ALA A 96 12.037 9.383 -6.940 1.00 0.00 N ATOM 1439 CA ALA A 96 12.397 10.485 -6.061 1.00 0.00 C ATOM 1440 C ALA A 96 11.324 10.786 -5.001 1.00 0.00 C ATOM 1441 O ALA A 96 11.673 11.046 -3.851 1.00 0.00 O ATOM 1442 CB ALA A 96 12.703 11.709 -6.928 1.00 0.00 C ATOM 0 H ALA A 96 12.150 9.608 -7.928 1.00 0.00 H new ATOM 0 HA ALA A 96 13.281 10.203 -5.490 1.00 0.00 H new ATOM 0 HB1 ALA A 96 12.976 12.549 -6.289 1.00 0.00 H new ATOM 0 HB2 ALA A 96 13.530 11.481 -7.600 1.00 0.00 H new ATOM 0 HB3 ALA A 96 11.821 11.970 -7.513 1.00 0.00 H new ATOM 1448 N ASN A 97 10.031 10.752 -5.347 1.00 0.00 N ATOM 1449 CA ASN A 97 8.929 11.045 -4.425 1.00 0.00 C ATOM 1450 C ASN A 97 7.588 10.409 -4.841 1.00 0.00 C ATOM 1451 O ASN A 97 6.527 10.892 -4.433 1.00 0.00 O ATOM 1452 CB ASN A 97 8.816 12.561 -4.180 1.00 0.00 C ATOM 1453 CG ASN A 97 8.656 13.427 -5.425 1.00 0.00 C ATOM 1454 OD1 ASN A 97 8.329 12.963 -6.517 1.00 0.00 O ATOM 1455 ND2 ASN A 97 8.936 14.709 -5.284 1.00 0.00 N ATOM 0 H ASN A 97 9.718 10.517 -6.289 1.00 0.00 H new ATOM 0 HA ASN A 97 9.175 10.568 -3.476 1.00 0.00 H new ATOM 0 HB2 ASN A 97 7.964 12.741 -3.524 1.00 0.00 H new ATOM 0 HB3 ASN A 97 9.706 12.890 -3.644 1.00 0.00 H new ATOM 0 HD21 ASN A 97 8.883 15.334 -6.088 1.00 0.00 H new ATOM 0 HD22 ASN A 97 9.205 15.075 -4.371 1.00 0.00 H new ATOM 1462 N GLN A 98 7.603 9.330 -5.635 1.00 0.00 N ATOM 1463 CA GLN A 98 6.403 8.657 -6.143 1.00 0.00 C ATOM 1464 C GLN A 98 6.607 7.144 -6.028 1.00 0.00 C ATOM 1465 O GLN A 98 7.588 6.621 -6.555 1.00 0.00 O ATOM 1466 CB GLN A 98 6.176 9.058 -7.610 1.00 0.00 C ATOM 1467 CG GLN A 98 4.770 8.729 -8.156 1.00 0.00 C ATOM 1468 CD GLN A 98 4.562 9.308 -9.558 1.00 0.00 C ATOM 1469 OE1 GLN A 98 3.627 10.058 -9.829 1.00 0.00 O ATOM 1470 NE2 GLN A 98 5.458 9.029 -10.484 1.00 0.00 N ATOM 0 H GLN A 98 8.469 8.892 -5.948 1.00 0.00 H new ATOM 0 HA GLN A 98 5.528 8.949 -5.563 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.349 10.129 -7.711 1.00 0.00 H new ATOM 0 HB3 GLN A 98 6.919 8.555 -8.229 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.633 7.648 -8.184 1.00 0.00 H new ATOM 0 HG3 GLN A 98 4.014 9.129 -7.480 1.00 0.00 H new ATOM 0 HE21 GLN A 98 6.238 8.408 -10.269 1.00 0.00 H new ATOM 0 HE22 GLN A 98 5.372 9.435 -11.416 1.00 0.00 H new ATOM 1479 N LEU A 99 5.713 6.453 -5.320 1.00 0.00 N ATOM 1480 CA LEU A 99 5.652 4.995 -5.274 1.00 0.00 C ATOM 1481 C LEU A 99 4.886 4.522 -6.511 1.00 0.00 C ATOM 1482 O LEU A 99 3.769 4.991 -6.750 1.00 0.00 O ATOM 1483 CB LEU A 99 4.900 4.538 -4.004 1.00 0.00 C ATOM 1484 CG LEU A 99 5.452 3.265 -3.344 1.00 0.00 C ATOM 1485 CD1 LEU A 99 6.761 3.514 -2.605 1.00 0.00 C ATOM 1486 CD2 LEU A 99 4.439 2.682 -2.348 1.00 0.00 C ATOM 0 H LEU A 99 4.996 6.903 -4.751 1.00 0.00 H new ATOM 0 HA LEU A 99 6.658 4.576 -5.255 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.925 5.347 -3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.854 4.372 -4.260 1.00 0.00 H new ATOM 0 HG LEU A 99 5.636 2.560 -4.155 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.109 2.583 -2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.510 3.881 -3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.602 4.256 -1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.852 1.782 -1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.229 3.417 -1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.516 2.433 -2.872 1.00 0.00 H new ATOM 1498 N THR A 100 5.433 3.557 -7.236 1.00 0.00 N ATOM 1499 CA THR A 100 4.809 2.843 -8.334 1.00 0.00 C ATOM 1500 C THR A 100 4.732 1.378 -7.918 1.00 0.00 C ATOM 1501 O THR A 100 5.747 0.722 -7.696 1.00 0.00 O ATOM 1502 CB THR A 100 5.618 3.093 -9.615 1.00 0.00 C ATOM 1503 OG1 THR A 100 5.323 4.407 -10.055 1.00 0.00 O ATOM 1504 CG2 THR A 100 5.311 2.135 -10.768 1.00 0.00 C ATOM 0 H THR A 100 6.384 3.234 -7.060 1.00 0.00 H new ATOM 0 HA THR A 100 3.797 3.184 -8.552 1.00 0.00 H new ATOM 0 HB THR A 100 6.666 2.938 -9.358 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.827 4.599 -10.873 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.930 2.390 -11.628 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.524 1.112 -10.458 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.259 2.219 -11.041 1.00 0.00 H new ATOM 1512 N LEU A 101 3.507 0.889 -7.748 1.00 0.00 N ATOM 1513 CA LEU A 101 3.201 -0.470 -7.336 1.00 0.00 C ATOM 1514 C LEU A 101 2.478 -1.121 -8.484 1.00 0.00 C ATOM 1515 O LEU A 101 1.455 -0.597 -8.924 1.00 0.00 O ATOM 1516 CB LEU A 101 2.310 -0.419 -6.086 1.00 0.00 C ATOM 1517 CG LEU A 101 3.077 -0.559 -4.770 1.00 0.00 C ATOM 1518 CD1 LEU A 101 3.272 -2.018 -4.405 1.00 0.00 C ATOM 1519 CD2 LEU A 101 4.418 0.156 -4.739 1.00 0.00 C ATOM 0 H LEU A 101 2.671 1.453 -7.900 1.00 0.00 H new ATOM 0 HA LEU A 101 4.099 -1.037 -7.090 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.765 0.525 -6.079 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.568 -1.215 -6.149 1.00 0.00 H new ATOM 0 HG LEU A 101 2.448 -0.065 -4.030 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.820 -2.088 -3.465 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.300 -2.499 -4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.836 -2.518 -5.192 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.890 0.002 -3.769 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.061 -0.243 -5.523 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.265 1.223 -4.903 1.00 0.00 H new ATOM 1531 N ALA A 102 2.991 -2.242 -8.969 1.00 0.00 N ATOM 1532 CA ALA A 102 2.388 -3.002 -10.058 1.00 0.00 C ATOM 1533 C ALA A 102 2.491 -4.492 -9.740 1.00 0.00 C ATOM 1534 O ALA A 102 3.295 -4.911 -8.906 1.00 0.00 O ATOM 1535 CB ALA A 102 3.094 -2.651 -11.370 1.00 0.00 C ATOM 0 H ALA A 102 3.852 -2.657 -8.612 1.00 0.00 H new ATOM 0 HA ALA A 102 1.333 -2.750 -10.167 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.646 -3.217 -12.187 1.00 0.00 H new ATOM 0 HB2 ALA A 102 2.987 -1.584 -11.567 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.152 -2.901 -11.292 1.00 0.00 H new ATOM 1541 N THR A 103 1.652 -5.316 -10.349 1.00 0.00 N ATOM 1542 CA THR A 103 1.629 -6.754 -10.235 1.00 0.00 C ATOM 1543 C THR A 103 0.987 -7.277 -11.530 1.00 0.00 C ATOM 1544 O THR A 103 0.549 -6.475 -12.364 1.00 0.00 O ATOM 1545 CB THR A 103 0.792 -7.130 -8.995 1.00 0.00 C ATOM 1546 OG1 THR A 103 0.862 -6.161 -7.966 1.00 0.00 O ATOM 1547 CG2 THR A 103 1.302 -8.415 -8.380 1.00 0.00 C ATOM 0 H THR A 103 0.925 -4.969 -10.975 1.00 0.00 H new ATOM 0 HA THR A 103 2.621 -7.188 -10.111 1.00 0.00 H new ATOM 0 HB THR A 103 -0.232 -7.217 -9.358 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.227 -6.571 -7.154 1.00 0.00 H new ATOM 0 HG21 THR A 103 0.700 -8.665 -7.507 1.00 0.00 H new ATOM 0 HG22 THR A 103 1.233 -9.221 -9.111 1.00 0.00 H new ATOM 0 HG23 THR A 103 2.342 -8.287 -8.079 1.00 0.00 H new ATOM 1555 N ALA A 104 0.836 -8.596 -11.697 1.00 0.00 N ATOM 1556 CA ALA A 104 0.126 -9.127 -12.859 1.00 0.00 C ATOM 1557 C ALA A 104 -1.327 -8.647 -12.921 1.00 0.00 C ATOM 1558 O ALA A 104 -1.917 -8.601 -14.006 1.00 0.00 O ATOM 1559 CB ALA A 104 0.158 -10.653 -12.881 1.00 0.00 C ATOM 0 H ALA A 104 1.190 -9.303 -11.052 1.00 0.00 H new ATOM 0 HA ALA A 104 0.649 -8.745 -13.735 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -0.379 -11.016 -13.758 1.00 0.00 H new ATOM 0 HB2 ALA A 104 1.192 -10.995 -12.922 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.317 -11.040 -11.979 1.00 0.00 H new ATOM 1565 N LYS A 105 -1.927 -8.313 -11.775 1.00 0.00 N ATOM 1566 CA LYS A 105 -3.298 -7.847 -11.719 1.00 0.00 C ATOM 1567 C LYS A 105 -3.398 -6.401 -12.149 1.00 0.00 C ATOM 1568 O LYS A 105 -3.960 -6.128 -13.209 1.00 0.00 O ATOM 1569 CB LYS A 105 -3.897 -8.080 -10.327 1.00 0.00 C ATOM 1570 CG LYS A 105 -4.637 -9.421 -10.300 1.00 0.00 C ATOM 1571 CD LYS A 105 -6.011 -9.323 -10.984 1.00 0.00 C ATOM 1572 CE LYS A 105 -6.701 -10.689 -11.006 1.00 0.00 C ATOM 1573 NZ LYS A 105 -8.162 -10.563 -10.845 1.00 0.00 N ATOM 0 H LYS A 105 -1.468 -8.361 -10.865 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.889 -8.430 -12.425 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.108 -8.074 -9.575 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -4.582 -7.271 -10.075 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -4.035 -10.180 -10.799 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.766 -9.745 -9.267 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.636 -8.603 -10.456 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -5.891 -8.954 -12.003 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.480 -11.193 -11.947 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -6.299 -11.313 -10.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.596 -11.508 -10.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -8.373 -10.104 -9.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.548 -9.988 -11.621 1.00 0.00 H new ATOM 1587 N GLN A 106 -2.921 -5.475 -11.325 1.00 0.00 N ATOM 1588 CA GLN A 106 -3.213 -4.064 -11.488 1.00 0.00 C ATOM 1589 C GLN A 106 -2.093 -3.231 -10.868 1.00 0.00 C ATOM 1590 O GLN A 106 -1.034 -3.765 -10.529 1.00 0.00 O ATOM 1591 CB GLN A 106 -4.617 -3.784 -10.904 1.00 0.00 C ATOM 1592 CG GLN A 106 -5.491 -3.045 -11.922 1.00 0.00 C ATOM 1593 CD GLN A 106 -6.979 -3.184 -11.614 1.00 0.00 C ATOM 1594 OE1 GLN A 106 -7.762 -3.612 -12.457 1.00 0.00 O ATOM 1595 NE2 GLN A 106 -7.417 -2.854 -10.414 1.00 0.00 N ATOM 0 H GLN A 106 -2.322 -5.686 -10.527 1.00 0.00 H new ATOM 0 HA GLN A 106 -3.244 -3.775 -12.539 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -5.093 -4.723 -10.623 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.526 -3.189 -9.996 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -5.221 -1.989 -11.931 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -5.291 -3.434 -12.920 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -6.766 -2.498 -9.714 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.406 -2.955 -10.187 1.00 0.00 H new ATOM 1604 N THR A 107 -2.303 -1.920 -10.747 1.00 0.00 N ATOM 1605 CA THR A 107 -1.286 -0.985 -10.302 1.00 0.00 C ATOM 1606 C THR A 107 -1.918 0.119 -9.440 1.00 0.00 C ATOM 1607 O THR A 107 -3.149 0.256 -9.373 1.00 0.00 O ATOM 1608 CB THR A 107 -0.474 -0.512 -11.531 1.00 0.00 C ATOM 1609 OG1 THR A 107 0.557 0.388 -11.188 1.00 0.00 O ATOM 1610 CG2 THR A 107 -1.341 0.165 -12.589 1.00 0.00 C ATOM 0 H THR A 107 -3.198 -1.478 -10.960 1.00 0.00 H new ATOM 0 HA THR A 107 -0.562 -1.454 -9.636 1.00 0.00 H new ATOM 0 HB THR A 107 -0.046 -1.428 -11.938 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.039 0.050 -10.405 1.00 0.00 H new ATOM 0 HG21 THR A 107 -0.717 0.475 -13.427 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.099 -0.535 -12.941 1.00 0.00 H new ATOM 0 HG23 THR A 107 -1.828 1.039 -12.156 1.00 0.00 H new ATOM 1618 N LEU A 108 -1.068 0.841 -8.707 1.00 0.00 N ATOM 1619 CA LEU A 108 -1.371 1.814 -7.669 1.00 0.00 C ATOM 1620 C LEU A 108 -0.227 2.839 -7.698 1.00 0.00 C ATOM 1621 O LEU A 108 0.937 2.429 -7.725 1.00 0.00 O ATOM 1622 CB LEU A 108 -1.404 1.099 -6.295 1.00 0.00 C ATOM 1623 CG LEU A 108 -2.439 -0.034 -6.117 1.00 0.00 C ATOM 1624 CD1 LEU A 108 -2.214 -0.788 -4.804 1.00 0.00 C ATOM 1625 CD2 LEU A 108 -3.874 0.490 -6.139 1.00 0.00 C ATOM 0 H LEU A 108 -0.061 0.747 -8.841 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.336 2.294 -7.829 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.414 0.686 -6.105 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.589 1.850 -5.527 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.297 -0.710 -6.960 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.957 -1.579 -4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -1.216 -1.226 -4.802 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.308 -0.097 -3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.567 -0.341 -6.010 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -4.012 1.206 -5.329 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.068 0.980 -7.093 1.00 0.00 H new ATOM 1637 N THR A 109 -0.530 4.139 -7.659 1.00 0.00 N ATOM 1638 CA THR A 109 0.465 5.206 -7.569 1.00 0.00 C ATOM 1639 C THR A 109 0.254 5.900 -6.232 1.00 0.00 C ATOM 1640 O THR A 109 -0.809 6.488 -6.001 1.00 0.00 O ATOM 1641 CB THR A 109 0.331 6.191 -8.739 1.00 0.00 C ATOM 1642 OG1 THR A 109 0.452 5.501 -9.966 1.00 0.00 O ATOM 1643 CG2 THR A 109 1.380 7.297 -8.737 1.00 0.00 C ATOM 0 H THR A 109 -1.490 4.483 -7.690 1.00 0.00 H new ATOM 0 HA THR A 109 1.473 4.797 -7.631 1.00 0.00 H new ATOM 0 HB THR A 109 -0.650 6.652 -8.619 1.00 0.00 H new ATOM 0 HG1 THR A 109 0.364 6.135 -10.708 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.220 7.952 -9.593 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.297 7.876 -7.817 1.00 0.00 H new ATOM 0 HG23 THR A 109 2.375 6.855 -8.799 1.00 0.00 H new ATOM 1651 N TYR A 110 1.255 5.821 -5.356 1.00 0.00 N ATOM 1652 CA TYR A 110 1.223 6.494 -4.069 1.00 0.00 C ATOM 1653 C TYR A 110 2.179 7.695 -4.086 1.00 0.00 C ATOM 1654 O TYR A 110 3.014 7.847 -4.986 1.00 0.00 O ATOM 1655 CB TYR A 110 1.558 5.533 -2.915 1.00 0.00 C ATOM 1656 CG TYR A 110 0.777 4.230 -2.755 1.00 0.00 C ATOM 1657 CD1 TYR A 110 1.000 3.128 -3.611 1.00 0.00 C ATOM 1658 CD2 TYR A 110 -0.066 4.065 -1.639 1.00 0.00 C ATOM 1659 CE1 TYR A 110 0.415 1.876 -3.328 1.00 0.00 C ATOM 1660 CE2 TYR A 110 -0.690 2.835 -1.374 1.00 0.00 C ATOM 1661 CZ TYR A 110 -0.427 1.725 -2.202 1.00 0.00 C ATOM 1662 OH TYR A 110 -0.915 0.501 -1.867 1.00 0.00 O ATOM 0 H TYR A 110 2.108 5.288 -5.523 1.00 0.00 H new ATOM 0 HA TYR A 110 0.209 6.853 -3.896 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.612 5.270 -3.008 1.00 0.00 H new ATOM 0 HB3 TYR A 110 1.450 6.092 -1.986 1.00 0.00 H new ATOM 0 HD1 TYR A 110 1.622 3.245 -4.486 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.236 4.900 -0.975 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.610 1.032 -3.972 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -1.369 2.740 -0.539 1.00 0.00 H new ATOM 0 HH TYR A 110 -1.475 0.580 -1.066 1.00 0.00 H new ATOM 1672 N LYS A 111 2.079 8.540 -3.062 1.00 0.00 N ATOM 1673 CA LYS A 111 2.740 9.839 -2.952 1.00 0.00 C ATOM 1674 C LYS A 111 3.433 9.910 -1.602 1.00 0.00 C ATOM 1675 O LYS A 111 2.859 9.441 -0.619 1.00 0.00 O ATOM 1676 CB LYS A 111 1.634 10.900 -3.008 1.00 0.00 C ATOM 1677 CG LYS A 111 1.987 12.297 -3.546 1.00 0.00 C ATOM 1678 CD LYS A 111 2.917 13.130 -2.662 1.00 0.00 C ATOM 1679 CE LYS A 111 2.746 14.639 -2.909 1.00 0.00 C ATOM 1680 NZ LYS A 111 2.819 15.053 -4.328 1.00 0.00 N ATOM 0 H LYS A 111 1.506 8.327 -2.246 1.00 0.00 H new ATOM 0 HA LYS A 111 3.472 9.992 -3.745 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.824 10.503 -3.620 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.240 11.023 -1.999 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.452 12.183 -4.525 1.00 0.00 H new ATOM 0 HG3 LYS A 111 1.062 12.854 -3.695 1.00 0.00 H new ATOM 0 HD2 LYS A 111 2.716 12.909 -1.614 1.00 0.00 H new ATOM 0 HD3 LYS A 111 3.952 12.846 -2.855 1.00 0.00 H new ATOM 0 HE2 LYS A 111 1.783 14.951 -2.504 1.00 0.00 H new ATOM 0 HE3 LYS A 111 3.515 15.173 -2.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 2.778 16.090 -4.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 3.711 14.716 -4.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.018 14.644 -4.851 1.00 0.00 H new ATOM 1694 N LEU A 112 4.601 10.544 -1.544 1.00 0.00 N ATOM 1695 CA LEU A 112 5.341 10.884 -0.328 1.00 0.00 C ATOM 1696 C LEU A 112 4.641 12.002 0.467 1.00 0.00 C ATOM 1697 O LEU A 112 5.189 13.093 0.655 1.00 0.00 O ATOM 1698 CB LEU A 112 6.768 11.284 -0.746 1.00 0.00 C ATOM 1699 CG LEU A 112 7.790 11.387 0.407 1.00 0.00 C ATOM 1700 CD1 LEU A 112 7.929 10.089 1.215 1.00 0.00 C ATOM 1701 CD2 LEU A 112 9.143 11.817 -0.179 1.00 0.00 C ATOM 0 H LEU A 112 5.084 10.852 -2.388 1.00 0.00 H new ATOM 0 HA LEU A 112 5.379 10.024 0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.134 10.556 -1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.723 12.246 -1.256 1.00 0.00 H new ATOM 0 HG LEU A 112 7.426 12.131 1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 112 8.663 10.231 2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 112 6.966 9.829 1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.258 9.284 0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 112 9.878 11.895 0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 112 9.476 11.077 -0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 112 9.036 12.785 -0.669 1.00 0.00 H new ATOM 1713 N ALA A 113 3.408 11.765 0.909 1.00 0.00 N ATOM 1714 CA ALA A 113 2.781 12.564 1.948 1.00 0.00 C ATOM 1715 C ALA A 113 3.190 11.907 3.263 1.00 0.00 C ATOM 1716 O ALA A 113 2.695 10.830 3.597 1.00 0.00 O ATOM 1717 CB ALA A 113 1.262 12.627 1.769 1.00 0.00 C ATOM 0 H ALA A 113 2.819 11.012 0.554 1.00 0.00 H new ATOM 0 HA ALA A 113 3.105 13.604 1.915 1.00 0.00 H new ATOM 0 HB1 ALA A 113 0.827 13.233 2.564 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.028 13.074 0.803 1.00 0.00 H new ATOM 0 HB3 ALA A 113 0.848 11.619 1.813 1.00 0.00 H new ATOM 1723 N ASP A 114 4.145 12.516 3.961 1.00 0.00 N ATOM 1724 CA ASP A 114 4.571 12.089 5.294 1.00 0.00 C ATOM 1725 C ASP A 114 4.670 13.306 6.208 1.00 0.00 C ATOM 1726 O ASP A 114 5.659 13.545 6.897 1.00 0.00 O ATOM 1727 CB ASP A 114 5.883 11.307 5.228 1.00 0.00 C ATOM 1728 CG ASP A 114 6.183 10.571 6.538 1.00 0.00 C ATOM 1729 OD1 ASP A 114 5.370 10.605 7.491 1.00 0.00 O ATOM 1730 OD2 ASP A 114 7.219 9.868 6.570 1.00 0.00 O ATOM 0 H ASP A 114 4.652 13.330 3.614 1.00 0.00 H new ATOM 0 HA ASP A 114 3.828 11.409 5.711 1.00 0.00 H new ATOM 0 HB2 ASP A 114 5.834 10.587 4.411 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.701 11.991 5.002 1.00 0.00 H new