USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 691 hydrogens (18 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 52 ASNHD21 : A 52 ASN ND2 : A1052 NAG C1 :(H bumps) USER MOD NoAdj-H: A 78 ASNHD21 : A 78 ASN ND2 : A1078 NAG C1 :(H bumps) USER MOD Set 1.1: A 34 SER OG : rot 143:sc= 0.642 USER MOD Set 1.2: A 86 THR OG1 : rot 103:sc= 0.551! USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.137 K(o=-0.14,f=-1.2!) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.338 USER MOD Single : A 13 GLN : amide:sc= -0.32 K(o=-0.32,f=-1.8!) USER MOD Single : A 15 ASN :FLIP amide:sc= -13.8! C(o=-18!,f=-14!) USER MOD Single : A 19 SER OG : rot -89:sc= 0.15 USER MOD Single : A 20 GLN : amide:sc= -0.0891 X(o=-0.089,f=-0.43) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 40:sc= 0.437 USER MOD Single : A 43 SER OG : rot 63:sc= 0.872 USER MOD Single : A 44 LYS NZ :NH3+ 148:sc= -0.541 (180deg=-2.36!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -96:sc= -0.443! USER MOD Single : A 47 MET CE :methyl -147:sc= -0.672 (180deg=-2.5!) USER MOD Single : A 50 GLN : amide:sc= -0.398 K(o=-0.4,f=-2.7!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -61:sc= 1.12 USER MOD Single : A 57 SER OG : rot -22:sc= 0.383! USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.069 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0.00884 X(o=0.0088,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0184 USER MOD Single : A 71 MET CE :methyl 153:sc= -6.97! (180deg=-12.7!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= -20.9! C(o=-21!,f=-25!) USER MOD Single : A 80 THR OG1 : rot 150:sc= -3.36! USER MOD Single : A 83 HIS :FLIP no HD1:sc= -4.78! C(o=-5.9!,f=-4.8!) USER MOD Single : A 85 SER OG : rot 29:sc= -0.348! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -5.04! C(o=-5!,f=-6.3!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A1052 NAG O3 : rot 180:sc= 0 USER MOD Single : A1052 NAG O4 : rot 160:sc= 0 USER MOD Single : A1052 NAG O6 : rot 30:sc= 0.015 USER MOD Single : A1078 NAG O3 : rot 180:sc= 0 USER MOD Single : A1078 NAG O4 : rot 160:sc= 0 USER MOD Single : A1078 NAG O6 : rot -36:sc= -0.252 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.052 24.203 12.991 1.00 0.00 N ATOM 2 CA ALA A 1 -0.553 22.880 12.533 1.00 0.00 C ATOM 3 C ALA A 1 -1.666 21.837 12.560 1.00 0.00 C ATOM 4 O ALA A 1 -1.958 21.249 13.601 1.00 0.00 O ATOM 5 CB ALA A 1 0.618 22.431 13.393 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.276 24.895 12.964 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.821 24.519 12.366 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.409 24.121 13.964 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.212 22.983 11.503 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.973 21.461 13.046 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.425 23.160 13.319 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.297 22.350 14.431 1.00 0.00 H new ATOM 13 N PRO A 2 -2.304 21.604 11.404 1.00 0.00 N ATOM 14 CA PRO A 2 -3.399 20.637 11.271 1.00 0.00 C ATOM 15 C PRO A 2 -2.915 19.189 11.248 1.00 0.00 C ATOM 16 O PRO A 2 -2.253 18.771 10.300 1.00 0.00 O ATOM 17 CB PRO A 2 -4.016 21.002 9.922 1.00 0.00 C ATOM 18 CG PRO A 2 -2.883 21.567 9.137 1.00 0.00 C ATOM 19 CD PRO A 2 -2.006 22.281 10.128 1.00 0.00 C ATOM 0 HA PRO A 2 -4.088 20.689 12.114 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -4.443 20.128 9.431 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -4.821 21.728 10.037 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -2.331 20.778 8.625 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -3.243 22.253 8.370 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -0.952 22.195 9.865 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -2.237 23.345 10.175 1.00 0.00 H new ATOM 27 N ASP A 3 -3.265 18.437 12.293 1.00 0.00 N ATOM 28 CA ASP A 3 -2.889 17.026 12.417 1.00 0.00 C ATOM 29 C ASP A 3 -2.309 16.745 13.797 1.00 0.00 C ATOM 30 O ASP A 3 -2.014 17.667 14.557 1.00 0.00 O ATOM 31 CB ASP A 3 -1.878 16.611 11.344 1.00 0.00 C ATOM 32 CG ASP A 3 -0.511 17.233 11.562 1.00 0.00 C ATOM 33 OD1 ASP A 3 -0.428 18.476 11.633 1.00 0.00 O ATOM 34 OD2 ASP A 3 0.476 16.474 11.664 1.00 0.00 O ATOM 0 H ASP A 3 -3.816 18.787 13.076 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.797 16.439 12.277 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.783 15.525 11.339 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.254 16.902 10.363 1.00 0.00 H new ATOM 39 N VAL A 4 -2.145 15.466 14.113 1.00 0.00 N ATOM 40 CA VAL A 4 -1.598 15.067 15.402 1.00 0.00 C ATOM 41 C VAL A 4 -0.435 14.096 15.231 1.00 0.00 C ATOM 42 O VAL A 4 -0.319 13.114 15.963 1.00 0.00 O ATOM 43 CB VAL A 4 -2.672 14.418 16.297 1.00 0.00 C ATOM 44 CG1 VAL A 4 -2.396 14.716 17.764 1.00 0.00 C ATOM 45 CG2 VAL A 4 -4.061 14.897 15.899 1.00 0.00 C ATOM 0 H VAL A 4 -2.383 14.690 13.495 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.239 15.976 15.885 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.632 13.338 16.156 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.164 14.250 18.381 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.419 14.318 18.039 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.406 15.794 17.925 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.806 14.428 16.542 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.118 15.980 16.008 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.256 14.626 14.861 1.00 0.00 H new ATOM 55 N GLN A 5 0.428 14.382 14.261 1.00 0.00 N ATOM 56 CA GLN A 5 1.591 13.542 13.993 1.00 0.00 C ATOM 57 C GLN A 5 1.175 12.131 13.581 1.00 0.00 C ATOM 58 O GLN A 5 0.172 11.948 12.895 1.00 0.00 O ATOM 59 CB GLN A 5 2.494 13.486 15.225 1.00 0.00 C ATOM 60 CG GLN A 5 2.482 14.764 16.045 1.00 0.00 C ATOM 61 CD GLN A 5 2.830 14.524 17.501 1.00 0.00 C ATOM 62 OE1 GLN A 5 2.470 13.495 18.074 1.00 0.00 O ATOM 63 NE2 GLN A 5 3.531 15.474 18.107 1.00 0.00 N ATOM 0 H GLN A 5 0.344 15.191 13.646 1.00 0.00 H new ATOM 0 HA GLN A 5 2.142 13.985 13.164 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.181 12.655 15.857 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.516 13.277 14.907 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.191 15.473 15.617 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.495 15.223 15.982 1.00 0.00 H new ATOM 0 HE21 GLN A 5 3.808 16.310 17.593 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.793 15.368 19.087 1.00 0.00 H new ATOM 72 N ASP A 6 1.962 11.139 13.999 1.00 0.00 N ATOM 73 CA ASP A 6 1.687 9.743 13.671 1.00 0.00 C ATOM 74 C ASP A 6 2.244 9.388 12.296 1.00 0.00 C ATOM 75 O ASP A 6 2.655 10.265 11.536 1.00 0.00 O ATOM 76 CB ASP A 6 0.184 9.458 13.720 1.00 0.00 C ATOM 77 CG ASP A 6 -0.426 9.808 15.062 1.00 0.00 C ATOM 78 OD1 ASP A 6 -0.030 10.839 15.643 1.00 0.00 O ATOM 79 OD2 ASP A 6 -1.299 9.048 15.533 1.00 0.00 O ATOM 0 H ASP A 6 2.797 11.279 14.567 1.00 0.00 H new ATOM 0 HA ASP A 6 2.183 9.122 14.417 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -0.317 10.027 12.937 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.010 8.403 13.509 1.00 0.00 H new ATOM 84 N CYS A 7 2.264 8.094 11.989 1.00 0.00 N ATOM 85 CA CYS A 7 2.781 7.615 10.711 1.00 0.00 C ATOM 86 C CYS A 7 1.849 7.982 9.562 1.00 0.00 C ATOM 87 O CYS A 7 0.628 7.992 9.717 1.00 0.00 O ATOM 88 CB CYS A 7 2.969 6.098 10.752 1.00 0.00 C ATOM 89 SG CYS A 7 1.436 5.154 10.476 1.00 0.00 S ATOM 0 H CYS A 7 1.928 7.357 12.609 1.00 0.00 H new ATOM 0 HA CYS A 7 3.743 8.098 10.541 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.701 5.812 9.996 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.386 5.820 11.720 1.00 0.00 H new ATOM 94 N PRO A 8 2.420 8.288 8.387 1.00 0.00 N ATOM 95 CA PRO A 8 1.645 8.654 7.199 1.00 0.00 C ATOM 96 C PRO A 8 0.773 7.505 6.703 1.00 0.00 C ATOM 97 O PRO A 8 0.279 6.701 7.493 1.00 0.00 O ATOM 98 CB PRO A 8 2.713 9.001 6.154 1.00 0.00 C ATOM 99 CG PRO A 8 3.971 9.202 6.928 1.00 0.00 C ATOM 100 CD PRO A 8 3.865 8.301 8.124 1.00 0.00 C ATOM 0 HA PRO A 8 0.956 9.473 7.405 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.824 8.199 5.424 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.444 9.901 5.600 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.844 8.951 6.326 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.081 10.243 7.231 1.00 0.00 H new ATOM 0 HD2 PRO A 8 4.248 7.302 7.915 1.00 0.00 H new ATOM 0 HD3 PRO A 8 4.428 8.687 8.974 1.00 0.00 H new ATOM 108 N GLU A 9 0.589 7.436 5.389 1.00 0.00 N ATOM 109 CA GLU A 9 -0.224 6.389 4.785 1.00 0.00 C ATOM 110 C GLU A 9 0.650 5.346 4.097 1.00 0.00 C ATOM 111 O GLU A 9 1.738 5.653 3.611 1.00 0.00 O ATOM 112 CB GLU A 9 -1.199 6.994 3.774 1.00 0.00 C ATOM 113 CG GLU A 9 -2.118 5.973 3.127 1.00 0.00 C ATOM 114 CD GLU A 9 -3.059 6.598 2.116 1.00 0.00 C ATOM 115 OE1 GLU A 9 -3.274 7.827 2.186 1.00 0.00 O ATOM 116 OE2 GLU A 9 -3.578 5.861 1.253 1.00 0.00 O ATOM 0 H GLU A 9 0.993 8.094 4.722 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.786 5.899 5.580 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.805 7.750 4.274 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.632 7.504 2.996 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -1.517 5.208 2.635 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.701 5.472 3.900 1.00 0.00 H new ATOM 123 N CYS A 10 0.161 4.111 4.056 1.00 0.00 N ATOM 124 CA CYS A 10 0.892 3.020 3.422 1.00 0.00 C ATOM 125 C CYS A 10 0.776 3.108 1.904 1.00 0.00 C ATOM 126 O CYS A 10 -0.325 3.106 1.355 1.00 0.00 O ATOM 127 CB CYS A 10 0.366 1.668 3.910 1.00 0.00 C ATOM 128 SG CYS A 10 0.681 0.285 2.765 1.00 0.00 S ATOM 0 H CYS A 10 -0.738 3.841 4.454 1.00 0.00 H new ATOM 0 HA CYS A 10 1.943 3.108 3.698 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.823 1.439 4.873 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.708 1.748 4.078 1.00 0.00 H new ATOM 133 N THR A 11 1.918 3.191 1.231 1.00 0.00 N ATOM 134 CA THR A 11 1.937 3.285 -0.222 1.00 0.00 C ATOM 135 C THR A 11 3.353 3.147 -0.756 1.00 0.00 C ATOM 136 O THR A 11 4.321 3.283 -0.009 1.00 0.00 O ATOM 137 CB THR A 11 1.346 4.621 -0.670 1.00 0.00 C ATOM 138 OG1 THR A 11 1.175 5.491 0.434 1.00 0.00 O ATOM 139 CG2 THR A 11 0.007 4.476 -1.352 1.00 0.00 C ATOM 0 H THR A 11 2.840 3.195 1.668 1.00 0.00 H new ATOM 0 HA THR A 11 1.334 2.470 -0.622 1.00 0.00 H new ATOM 0 HB THR A 11 2.060 5.030 -1.384 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.797 6.341 0.125 1.00 0.00 H new ATOM 0 HG21 THR A 11 -0.360 5.459 -1.646 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.116 3.849 -2.237 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.703 4.014 -0.666 1.00 0.00 H new ATOM 147 N LEU A 12 3.472 2.885 -2.053 1.00 0.00 N ATOM 148 CA LEU A 12 4.779 2.745 -2.675 1.00 0.00 C ATOM 149 C LEU A 12 5.643 3.940 -2.347 1.00 0.00 C ATOM 150 O LEU A 12 5.218 5.086 -2.494 1.00 0.00 O ATOM 151 CB LEU A 12 4.655 2.626 -4.184 1.00 0.00 C ATOM 152 CG LEU A 12 4.302 1.238 -4.701 1.00 0.00 C ATOM 153 CD1 LEU A 12 2.796 1.054 -4.739 1.00 0.00 C ATOM 154 CD2 LEU A 12 4.895 1.057 -6.084 1.00 0.00 C ATOM 0 H LEU A 12 2.683 2.766 -2.689 1.00 0.00 H new ATOM 0 HA LEU A 12 5.238 1.837 -2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.894 3.327 -4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.598 2.935 -4.635 1.00 0.00 H new ATOM 0 HG LEU A 12 4.716 0.485 -4.030 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.561 0.057 -5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.390 1.172 -3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.355 1.801 -5.399 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.646 0.065 -6.460 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.488 1.812 -6.756 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.979 1.164 -6.032 1.00 0.00 H new ATOM 166 N GLN A 13 6.858 3.678 -1.907 1.00 0.00 N ATOM 167 CA GLN A 13 7.765 4.751 -1.572 1.00 0.00 C ATOM 168 C GLN A 13 9.123 4.512 -2.173 1.00 0.00 C ATOM 169 O GLN A 13 10.126 4.355 -1.480 1.00 0.00 O ATOM 170 CB GLN A 13 7.855 4.922 -0.081 1.00 0.00 C ATOM 171 CG GLN A 13 6.508 4.767 0.597 1.00 0.00 C ATOM 172 CD GLN A 13 6.168 5.919 1.522 1.00 0.00 C ATOM 173 OE1 GLN A 13 7.041 6.689 1.923 1.00 0.00 O ATOM 174 NE2 GLN A 13 4.889 6.041 1.865 1.00 0.00 N ATOM 0 H GLN A 13 7.235 2.739 -1.775 1.00 0.00 H new ATOM 0 HA GLN A 13 7.372 5.676 -1.995 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.551 4.188 0.326 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.262 5.907 0.146 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.733 4.680 -0.165 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.500 3.838 1.167 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.200 5.379 1.508 1.00 0.00 H new ATOM 0 HE22 GLN A 13 4.597 6.797 2.485 1.00 0.00 H new ATOM 183 N GLU A 14 9.098 4.484 -3.479 1.00 0.00 N ATOM 184 CA GLU A 14 10.274 4.264 -4.312 1.00 0.00 C ATOM 185 C GLU A 14 11.494 3.884 -3.498 1.00 0.00 C ATOM 186 O GLU A 14 11.895 4.576 -2.562 1.00 0.00 O ATOM 187 CB GLU A 14 10.589 5.493 -5.156 1.00 0.00 C ATOM 188 CG GLU A 14 11.551 5.211 -6.301 1.00 0.00 C ATOM 189 CD GLU A 14 12.367 6.429 -6.687 1.00 0.00 C ATOM 190 OE1 GLU A 14 11.782 7.386 -7.237 1.00 0.00 O ATOM 191 OE2 GLU A 14 13.591 6.428 -6.437 1.00 0.00 O ATOM 0 H GLU A 14 8.242 4.616 -4.017 1.00 0.00 H new ATOM 0 HA GLU A 14 10.031 3.428 -4.968 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.660 5.893 -5.562 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.015 6.265 -4.515 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.224 4.403 -6.015 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.988 4.865 -7.168 1.00 0.00 H new ATOM 198 N ASN A 15 12.078 2.776 -3.889 1.00 0.00 N ATOM 199 CA ASN A 15 13.263 2.244 -3.247 1.00 0.00 C ATOM 200 C ASN A 15 14.385 3.269 -3.215 1.00 0.00 C ATOM 201 O ASN A 15 14.974 3.587 -4.248 1.00 0.00 O ATOM 202 CB ASN A 15 13.730 1.009 -3.992 1.00 0.00 C ATOM 203 CG ASN A 15 13.944 -0.177 -3.084 1.00 0.00 C ATOM 204 OD1 ASN A 15 14.339 -1.293 -3.675 1.00 0.00 O flip ATOM 205 ND2 ASN A 15 13.760 -0.092 -1.870 1.00 0.00 N flip ATOM 0 H ASN A 15 11.743 2.211 -4.669 1.00 0.00 H new ATOM 0 HA ASN A 15 13.006 1.989 -2.219 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.994 0.750 -4.753 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.661 1.235 -4.512 1.00 0.00 H new ATOM 0 HD21 ASN A 15 13.455 0.791 -1.461 1.00 0.00 H new ATOM 0 HD22 ASN A 15 13.912 -0.905 -1.273 1.00 0.00 H new ATOM 212 N PRO A 16 14.715 3.787 -2.028 1.00 0.00 N ATOM 213 CA PRO A 16 15.790 4.760 -1.877 1.00 0.00 C ATOM 214 C PRO A 16 17.153 4.082 -1.915 1.00 0.00 C ATOM 215 O PRO A 16 18.144 4.611 -1.411 1.00 0.00 O ATOM 216 CB PRO A 16 15.520 5.368 -0.503 1.00 0.00 C ATOM 217 CG PRO A 16 14.844 4.282 0.264 1.00 0.00 C ATOM 218 CD PRO A 16 14.081 3.453 -0.740 1.00 0.00 C ATOM 0 HA PRO A 16 15.810 5.500 -2.677 1.00 0.00 H new ATOM 0 HB2 PRO A 16 16.446 5.678 -0.018 1.00 0.00 H new ATOM 0 HB3 PRO A 16 14.888 6.253 -0.578 1.00 0.00 H new ATOM 0 HG2 PRO A 16 15.574 3.671 0.795 1.00 0.00 H new ATOM 0 HG3 PRO A 16 14.171 4.699 1.013 1.00 0.00 H new ATOM 0 HD2 PRO A 16 14.158 2.388 -0.521 1.00 0.00 H new ATOM 0 HD3 PRO A 16 13.020 3.702 -0.740 1.00 0.00 H new ATOM 226 N PHE A 17 17.182 2.902 -2.523 1.00 0.00 N ATOM 227 CA PHE A 17 18.399 2.119 -2.651 1.00 0.00 C ATOM 228 C PHE A 17 18.608 1.716 -4.098 1.00 0.00 C ATOM 229 O PHE A 17 19.631 2.023 -4.708 1.00 0.00 O ATOM 230 CB PHE A 17 18.304 0.857 -1.801 1.00 0.00 C ATOM 231 CG PHE A 17 19.568 0.054 -1.793 1.00 0.00 C ATOM 232 CD1 PHE A 17 19.922 -0.715 -2.890 1.00 0.00 C ATOM 233 CD2 PHE A 17 20.402 0.072 -0.691 1.00 0.00 C ATOM 234 CE1 PHE A 17 21.091 -1.453 -2.884 1.00 0.00 C ATOM 235 CE2 PHE A 17 21.571 -0.664 -0.677 1.00 0.00 C ATOM 236 CZ PHE A 17 21.916 -1.428 -1.775 1.00 0.00 C ATOM 0 H PHE A 17 16.361 2.464 -2.940 1.00 0.00 H new ATOM 0 HA PHE A 17 19.237 2.728 -2.312 1.00 0.00 H new ATOM 0 HB2 PHE A 17 18.051 1.134 -0.778 1.00 0.00 H new ATOM 0 HB3 PHE A 17 17.489 0.236 -2.174 1.00 0.00 H new ATOM 0 HD1 PHE A 17 19.279 -0.738 -3.757 1.00 0.00 H new ATOM 0 HD2 PHE A 17 20.137 0.669 0.169 1.00 0.00 H new ATOM 0 HE1 PHE A 17 21.359 -2.048 -3.744 1.00 0.00 H new ATOM 0 HE2 PHE A 17 22.214 -0.642 0.191 1.00 0.00 H new ATOM 0 HZ PHE A 17 22.829 -2.005 -1.767 1.00 0.00 H new ATOM 246 N PHE A 18 17.615 1.022 -4.636 1.00 0.00 N ATOM 247 CA PHE A 18 17.662 0.562 -6.011 1.00 0.00 C ATOM 248 C PHE A 18 17.536 1.740 -6.963 1.00 0.00 C ATOM 249 O PHE A 18 17.991 1.685 -8.103 1.00 0.00 O ATOM 250 CB PHE A 18 16.546 -0.448 -6.270 1.00 0.00 C ATOM 251 CG PHE A 18 16.924 -1.514 -7.255 1.00 0.00 C ATOM 252 CD1 PHE A 18 17.482 -1.173 -8.472 1.00 0.00 C ATOM 253 CD2 PHE A 18 16.726 -2.851 -6.961 1.00 0.00 C ATOM 254 CE1 PHE A 18 17.838 -2.146 -9.385 1.00 0.00 C ATOM 255 CE2 PHE A 18 17.080 -3.832 -7.870 1.00 0.00 C ATOM 256 CZ PHE A 18 17.637 -3.478 -9.083 1.00 0.00 C ATOM 0 H PHE A 18 16.764 0.766 -4.136 1.00 0.00 H new ATOM 0 HA PHE A 18 18.621 0.074 -6.183 1.00 0.00 H new ATOM 0 HB2 PHE A 18 16.265 -0.918 -5.327 1.00 0.00 H new ATOM 0 HB3 PHE A 18 15.666 0.080 -6.637 1.00 0.00 H new ATOM 0 HD1 PHE A 18 17.642 -0.132 -8.712 1.00 0.00 H new ATOM 0 HD2 PHE A 18 16.291 -3.132 -6.013 1.00 0.00 H new ATOM 0 HE1 PHE A 18 18.273 -1.866 -10.333 1.00 0.00 H new ATOM 0 HE2 PHE A 18 16.921 -4.873 -7.631 1.00 0.00 H new ATOM 0 HZ PHE A 18 17.915 -4.242 -9.794 1.00 0.00 H new ATOM 266 N SER A 19 16.925 2.815 -6.485 1.00 0.00 N ATOM 267 CA SER A 19 16.756 4.003 -7.301 1.00 0.00 C ATOM 268 C SER A 19 18.009 4.263 -8.122 1.00 0.00 C ATOM 269 O SER A 19 18.986 4.827 -7.629 1.00 0.00 O ATOM 270 CB SER A 19 16.438 5.214 -6.431 1.00 0.00 C ATOM 271 OG SER A 19 17.250 5.242 -5.269 1.00 0.00 O ATOM 0 H SER A 19 16.541 2.887 -5.543 1.00 0.00 H new ATOM 0 HA SER A 19 15.919 3.835 -7.979 1.00 0.00 H new ATOM 0 HB2 SER A 19 16.591 6.127 -7.006 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.387 5.191 -6.142 1.00 0.00 H new ATOM 0 HG SER A 19 16.806 4.748 -4.548 1.00 0.00 H new ATOM 277 N GLN A 20 17.968 3.845 -9.376 1.00 0.00 N ATOM 278 CA GLN A 20 19.098 4.024 -10.283 1.00 0.00 C ATOM 279 C GLN A 20 18.695 4.871 -11.483 1.00 0.00 C ATOM 280 O GLN A 20 17.510 5.051 -11.757 1.00 0.00 O ATOM 281 CB GLN A 20 19.626 2.669 -10.763 1.00 0.00 C ATOM 282 CG GLN A 20 20.004 1.721 -9.634 1.00 0.00 C ATOM 283 CD GLN A 20 21.323 1.014 -9.877 1.00 0.00 C ATOM 284 OE1 GLN A 20 22.298 1.625 -10.314 1.00 0.00 O ATOM 285 NE2 GLN A 20 21.360 -0.285 -9.593 1.00 0.00 N ATOM 0 H GLN A 20 17.163 3.377 -9.794 1.00 0.00 H new ATOM 0 HA GLN A 20 19.888 4.538 -9.736 1.00 0.00 H new ATOM 0 HB2 GLN A 20 18.867 2.194 -11.385 1.00 0.00 H new ATOM 0 HB3 GLN A 20 20.499 2.833 -11.395 1.00 0.00 H new ATOM 0 HG2 GLN A 20 20.064 2.281 -8.701 1.00 0.00 H new ATOM 0 HG3 GLN A 20 19.216 0.978 -9.511 1.00 0.00 H new ATOM 0 HE21 GLN A 20 20.528 -0.752 -9.232 1.00 0.00 H new ATOM 0 HE22 GLN A 20 22.220 -0.814 -9.736 1.00 0.00 H new ATOM 294 N PRO A 21 19.683 5.402 -12.217 1.00 0.00 N ATOM 295 CA PRO A 21 19.429 6.233 -13.397 1.00 0.00 C ATOM 296 C PRO A 21 18.637 5.484 -14.462 1.00 0.00 C ATOM 297 O PRO A 21 19.145 5.206 -15.549 1.00 0.00 O ATOM 298 CB PRO A 21 20.832 6.573 -13.911 1.00 0.00 C ATOM 299 CG PRO A 21 21.735 6.356 -12.745 1.00 0.00 C ATOM 300 CD PRO A 21 21.121 5.235 -11.957 1.00 0.00 C ATOM 0 HA PRO A 21 18.831 7.112 -13.156 1.00 0.00 H new ATOM 0 HB2 PRO A 21 21.110 5.935 -14.749 1.00 0.00 H new ATOM 0 HB3 PRO A 21 20.884 7.603 -14.264 1.00 0.00 H new ATOM 0 HG2 PRO A 21 22.742 6.098 -13.073 1.00 0.00 H new ATOM 0 HG3 PRO A 21 21.818 7.259 -12.141 1.00 0.00 H new ATOM 0 HD2 PRO A 21 21.482 4.262 -12.290 1.00 0.00 H new ATOM 0 HD3 PRO A 21 21.352 5.314 -10.895 1.00 0.00 H new ATOM 308 N GLY A 22 17.388 5.157 -14.141 1.00 0.00 N ATOM 309 CA GLY A 22 16.544 4.440 -15.078 1.00 0.00 C ATOM 310 C GLY A 22 15.652 3.417 -14.401 1.00 0.00 C ATOM 311 O GLY A 22 14.857 2.748 -15.061 1.00 0.00 O ATOM 0 H GLY A 22 16.946 5.376 -13.248 1.00 0.00 H new ATOM 0 HA2 GLY A 22 15.924 5.153 -15.621 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.171 3.938 -15.814 1.00 0.00 H new ATOM 315 N ALA A 23 15.782 3.290 -13.084 1.00 0.00 N ATOM 316 CA ALA A 23 14.978 2.335 -12.331 1.00 0.00 C ATOM 317 C ALA A 23 14.882 2.728 -10.874 1.00 0.00 C ATOM 318 O ALA A 23 15.835 2.607 -10.105 1.00 0.00 O ATOM 319 CB ALA A 23 15.549 0.936 -12.477 1.00 0.00 C ATOM 0 H ALA A 23 16.434 3.834 -12.519 1.00 0.00 H new ATOM 0 HA ALA A 23 13.968 2.343 -12.741 1.00 0.00 H new ATOM 0 HB1 ALA A 23 14.939 0.233 -11.910 1.00 0.00 H new ATOM 0 HB2 ALA A 23 15.548 0.651 -13.529 1.00 0.00 H new ATOM 0 HB3 ALA A 23 16.571 0.919 -12.097 1.00 0.00 H new ATOM 325 N PRO A 24 13.713 3.241 -10.500 1.00 0.00 N ATOM 326 CA PRO A 24 13.413 3.713 -9.174 1.00 0.00 C ATOM 327 C PRO A 24 12.503 2.776 -8.399 1.00 0.00 C ATOM 328 O PRO A 24 11.340 3.088 -8.150 1.00 0.00 O ATOM 329 CB PRO A 24 12.695 5.013 -9.514 1.00 0.00 C ATOM 330 CG PRO A 24 11.990 4.739 -10.818 1.00 0.00 C ATOM 331 CD PRO A 24 12.563 3.459 -11.370 1.00 0.00 C ATOM 0 HA PRO A 24 14.288 3.806 -8.530 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.987 5.289 -8.733 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.399 5.839 -9.612 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.915 4.645 -10.663 1.00 0.00 H new ATOM 0 HG3 PRO A 24 12.140 5.561 -11.517 1.00 0.00 H new ATOM 0 HD2 PRO A 24 11.850 2.637 -11.317 1.00 0.00 H new ATOM 0 HD3 PRO A 24 12.856 3.560 -12.415 1.00 0.00 H new ATOM 339 N ILE A 25 13.048 1.629 -8.026 1.00 0.00 N ATOM 340 CA ILE A 25 12.331 0.629 -7.281 1.00 0.00 C ATOM 341 C ILE A 25 11.379 1.217 -6.250 1.00 0.00 C ATOM 342 O ILE A 25 11.151 2.423 -6.216 1.00 0.00 O ATOM 343 CB ILE A 25 13.345 -0.307 -6.640 1.00 0.00 C ATOM 344 CG1 ILE A 25 14.040 -1.033 -7.760 1.00 0.00 C ATOM 345 CG2 ILE A 25 12.659 -1.300 -5.732 1.00 0.00 C ATOM 346 CD1 ILE A 25 13.031 -1.646 -8.693 1.00 0.00 C ATOM 0 H ILE A 25 14.012 1.372 -8.239 1.00 0.00 H new ATOM 0 HA ILE A 25 11.692 0.076 -7.970 1.00 0.00 H new ATOM 0 HB ILE A 25 14.053 0.257 -6.033 1.00 0.00 H new ATOM 0 HG12 ILE A 25 14.679 -0.341 -8.309 1.00 0.00 H new ATOM 0 HG13 ILE A 25 14.687 -1.810 -7.352 1.00 0.00 H new ATOM 0 HG21 ILE A 25 13.403 -1.959 -5.285 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.127 -0.766 -4.945 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.951 -1.893 -6.310 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.549 -2.167 -9.498 1.00 0.00 H new ATOM 0 HD12 ILE A 25 12.410 -2.353 -8.143 1.00 0.00 H new ATOM 0 HD13 ILE A 25 12.402 -0.862 -9.115 1.00 0.00 H new ATOM 358 N LEU A 26 10.755 0.343 -5.465 1.00 0.00 N ATOM 359 CA LEU A 26 9.749 0.766 -4.512 1.00 0.00 C ATOM 360 C LEU A 26 9.658 -0.104 -3.286 1.00 0.00 C ATOM 361 O LEU A 26 10.571 -0.840 -2.932 1.00 0.00 O ATOM 362 CB LEU A 26 8.439 0.698 -5.249 1.00 0.00 C ATOM 363 CG LEU A 26 8.653 0.488 -6.733 1.00 0.00 C ATOM 364 CD1 LEU A 26 7.494 -0.254 -7.360 1.00 0.00 C ATOM 365 CD2 LEU A 26 8.891 1.816 -7.433 1.00 0.00 C ATOM 0 H LEU A 26 10.933 -0.661 -5.475 1.00 0.00 H new ATOM 0 HA LEU A 26 10.006 1.761 -4.149 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.835 -0.116 -4.848 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.880 1.619 -5.087 1.00 0.00 H new ATOM 0 HG LEU A 26 9.542 -0.130 -6.857 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.681 -0.387 -8.426 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.387 -1.229 -6.886 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.577 0.319 -7.221 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.043 1.644 -8.499 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.026 2.463 -7.290 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.776 2.295 -7.014 1.00 0.00 H new ATOM 377 N GLN A 27 8.512 0.013 -2.658 1.00 0.00 N ATOM 378 CA GLN A 27 8.204 -0.746 -1.452 1.00 0.00 C ATOM 379 C GLN A 27 7.109 -0.060 -0.645 1.00 0.00 C ATOM 380 O GLN A 27 7.383 0.689 0.293 1.00 0.00 O ATOM 381 CB GLN A 27 9.462 -0.935 -0.604 1.00 0.00 C ATOM 382 CG GLN A 27 9.180 -1.400 0.816 1.00 0.00 C ATOM 383 CD GLN A 27 10.445 -1.573 1.637 1.00 0.00 C ATOM 384 OE1 GLN A 27 11.399 -0.808 1.498 1.00 0.00 O ATOM 385 NE2 GLN A 27 10.455 -2.583 2.499 1.00 0.00 N ATOM 0 H GLN A 27 7.762 0.634 -2.962 1.00 0.00 H new ATOM 0 HA GLN A 27 7.838 -1.729 -1.750 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.112 -1.661 -1.092 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.008 0.007 -0.566 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.528 -0.678 1.308 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.640 -2.346 0.784 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.641 -3.192 2.580 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.277 -2.750 3.080 1.00 0.00 H new ATOM 394 N CYS A 28 5.864 -0.319 -1.030 1.00 0.00 N ATOM 395 CA CYS A 28 4.714 0.271 -0.360 1.00 0.00 C ATOM 396 C CYS A 28 5.007 0.473 1.124 1.00 0.00 C ATOM 397 O CYS A 28 4.810 -0.436 1.930 1.00 0.00 O ATOM 398 CB CYS A 28 3.476 -0.612 -0.520 1.00 0.00 C ATOM 399 SG CYS A 28 2.078 0.221 -1.339 1.00 0.00 S ATOM 0 H CYS A 28 5.626 -0.937 -1.806 1.00 0.00 H new ATOM 0 HA CYS A 28 4.518 1.238 -0.823 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.745 -1.498 -1.094 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.156 -0.955 0.464 1.00 0.00 H new ATOM 404 N MET A 29 5.487 1.657 1.484 1.00 0.00 N ATOM 405 CA MET A 29 5.813 1.950 2.876 1.00 0.00 C ATOM 406 C MET A 29 4.746 2.825 3.521 1.00 0.00 C ATOM 407 O MET A 29 3.984 3.504 2.833 1.00 0.00 O ATOM 408 CB MET A 29 7.177 2.636 2.971 1.00 0.00 C ATOM 409 CG MET A 29 7.997 2.200 4.174 1.00 0.00 C ATOM 410 SD MET A 29 8.137 0.407 4.310 1.00 0.00 S ATOM 411 CE MET A 29 9.655 0.256 5.250 1.00 0.00 C ATOM 0 H MET A 29 5.659 2.426 0.837 1.00 0.00 H new ATOM 0 HA MET A 29 5.850 1.003 3.415 1.00 0.00 H new ATOM 0 HB2 MET A 29 7.742 2.429 2.062 1.00 0.00 H new ATOM 0 HB3 MET A 29 7.029 3.715 3.015 1.00 0.00 H new ATOM 0 HG2 MET A 29 8.995 2.634 4.105 1.00 0.00 H new ATOM 0 HG3 MET A 29 7.540 2.594 5.082 1.00 0.00 H new ATOM 0 HE1 MET A 29 9.877 -0.798 5.416 1.00 0.00 H new ATOM 0 HE2 MET A 29 10.473 0.716 4.696 1.00 0.00 H new ATOM 0 HE3 MET A 29 9.540 0.758 6.211 1.00 0.00 H new ATOM 421 N GLY A 30 4.697 2.799 4.849 1.00 0.00 N ATOM 422 CA GLY A 30 3.721 3.589 5.572 1.00 0.00 C ATOM 423 C GLY A 30 2.720 2.728 6.317 1.00 0.00 C ATOM 424 O GLY A 30 3.033 1.607 6.717 1.00 0.00 O ATOM 0 H GLY A 30 5.318 2.243 5.437 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.236 4.239 6.280 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.191 4.236 4.873 1.00 0.00 H new ATOM 428 N CYS A 31 1.513 3.252 6.505 1.00 0.00 N ATOM 429 CA CYS A 31 0.466 2.520 7.208 1.00 0.00 C ATOM 430 C CYS A 31 -0.901 2.787 6.584 1.00 0.00 C ATOM 431 O CYS A 31 -1.167 3.885 6.093 1.00 0.00 O ATOM 432 CB CYS A 31 0.452 2.906 8.689 1.00 0.00 C ATOM 433 SG CYS A 31 2.020 3.614 9.289 1.00 0.00 S ATOM 0 H CYS A 31 1.236 4.179 6.181 1.00 0.00 H new ATOM 0 HA CYS A 31 0.680 1.455 7.120 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -0.348 3.627 8.858 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.215 2.022 9.281 1.00 0.00 H new ATOM 438 N CYS A 32 -1.764 1.776 6.609 1.00 0.00 N ATOM 439 CA CYS A 32 -3.106 1.898 6.048 1.00 0.00 C ATOM 440 C CYS A 32 -4.157 1.870 7.152 1.00 0.00 C ATOM 441 O CYS A 32 -4.741 0.825 7.439 1.00 0.00 O ATOM 442 CB CYS A 32 -3.372 0.770 5.047 1.00 0.00 C ATOM 443 SG CYS A 32 -3.310 1.294 3.303 1.00 0.00 S ATOM 0 H CYS A 32 -1.558 0.862 7.012 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.170 2.854 5.529 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.639 -0.021 5.204 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.353 0.341 5.252 1.00 0.00 H new ATOM 448 N PHE A 33 -4.396 3.024 7.770 1.00 0.00 N ATOM 449 CA PHE A 33 -5.381 3.125 8.843 1.00 0.00 C ATOM 450 C PHE A 33 -6.797 3.108 8.278 1.00 0.00 C ATOM 451 O PHE A 33 -7.766 2.899 9.008 1.00 0.00 O ATOM 452 CB PHE A 33 -5.156 4.400 9.660 1.00 0.00 C ATOM 453 CG PHE A 33 -4.711 5.574 8.834 1.00 0.00 C ATOM 454 CD1 PHE A 33 -5.640 6.391 8.210 1.00 0.00 C ATOM 455 CD2 PHE A 33 -3.364 5.863 8.685 1.00 0.00 C ATOM 456 CE1 PHE A 33 -5.234 7.473 7.451 1.00 0.00 C ATOM 457 CE2 PHE A 33 -2.952 6.944 7.929 1.00 0.00 C ATOM 458 CZ PHE A 33 -3.888 7.749 7.311 1.00 0.00 C ATOM 0 H PHE A 33 -3.923 3.900 7.547 1.00 0.00 H new ATOM 0 HA PHE A 33 -5.258 2.263 9.498 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.081 4.659 10.175 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.408 4.202 10.428 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.694 6.180 8.318 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.627 5.236 9.165 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.968 8.101 6.968 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.899 7.159 7.822 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.568 8.594 6.719 1.00 0.00 H new ATOM 468 N SER A 34 -6.907 3.328 6.973 1.00 0.00 N ATOM 469 CA SER A 34 -8.203 3.336 6.305 1.00 0.00 C ATOM 470 C SER A 34 -8.957 4.629 6.596 1.00 0.00 C ATOM 471 O SER A 34 -9.530 4.795 7.673 1.00 0.00 O ATOM 472 CB SER A 34 -9.037 2.134 6.752 1.00 0.00 C ATOM 473 OG SER A 34 -9.353 1.292 5.657 1.00 0.00 O ATOM 0 H SER A 34 -6.114 3.503 6.356 1.00 0.00 H new ATOM 0 HA SER A 34 -8.031 3.271 5.231 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.488 1.567 7.503 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.956 2.481 7.224 1.00 0.00 H new ATOM 0 HG SER A 34 -9.328 0.356 5.946 1.00 0.00 H new ATOM 479 N ARG A 35 -8.951 5.543 5.632 1.00 0.00 N ATOM 480 CA ARG A 35 -9.634 6.820 5.789 1.00 0.00 C ATOM 481 C ARG A 35 -10.163 7.330 4.450 1.00 0.00 C ATOM 482 O ARG A 35 -9.391 7.630 3.541 1.00 0.00 O ATOM 483 CB ARG A 35 -8.689 7.854 6.402 1.00 0.00 C ATOM 484 CG ARG A 35 -9.401 9.095 6.910 1.00 0.00 C ATOM 485 CD ARG A 35 -8.739 9.645 8.161 1.00 0.00 C ATOM 486 NE ARG A 35 -8.524 11.086 8.076 1.00 0.00 N ATOM 487 CZ ARG A 35 -8.461 11.883 9.136 1.00 0.00 C ATOM 488 NH1 ARG A 35 -8.590 11.377 10.355 1.00 0.00 N ATOM 489 NH2 ARG A 35 -8.267 13.184 8.979 1.00 0.00 N ATOM 0 H ARG A 35 -8.481 5.423 4.735 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.482 6.667 6.457 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.144 7.394 7.226 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.950 8.148 5.656 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.402 9.859 6.132 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.443 8.856 7.124 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -9.360 9.421 9.028 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.783 9.144 8.316 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.416 11.504 7.152 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.738 10.375 10.478 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.542 11.989 11.169 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.166 13.575 8.042 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.219 13.795 9.795 1.00 0.00 H new ATOM 503 N ALA A 36 -11.485 7.428 4.340 1.00 0.00 N ATOM 504 CA ALA A 36 -12.118 7.903 3.115 1.00 0.00 C ATOM 505 C ALA A 36 -12.172 6.801 2.062 1.00 0.00 C ATOM 506 O ALA A 36 -12.180 5.616 2.392 1.00 0.00 O ATOM 507 CB ALA A 36 -11.384 9.123 2.576 1.00 0.00 C ATOM 0 H ALA A 36 -12.138 7.185 5.085 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.142 8.190 3.353 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.869 9.465 1.662 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.408 9.920 3.319 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.349 8.859 2.361 1.00 0.00 H new ATOM 513 N TYR A 37 -12.213 7.198 0.794 1.00 0.00 N ATOM 514 CA TYR A 37 -12.270 6.236 -0.300 1.00 0.00 C ATOM 515 C TYR A 37 -11.260 6.581 -1.388 1.00 0.00 C ATOM 516 O TYR A 37 -11.308 7.662 -1.975 1.00 0.00 O ATOM 517 CB TYR A 37 -13.679 6.191 -0.893 1.00 0.00 C ATOM 518 CG TYR A 37 -14.258 7.555 -1.196 1.00 0.00 C ATOM 519 CD1 TYR A 37 -13.947 8.217 -2.378 1.00 0.00 C ATOM 520 CD2 TYR A 37 -15.118 8.178 -0.301 1.00 0.00 C ATOM 521 CE1 TYR A 37 -14.477 9.463 -2.657 1.00 0.00 C ATOM 522 CE2 TYR A 37 -15.653 9.422 -0.574 1.00 0.00 C ATOM 523 CZ TYR A 37 -15.329 10.060 -1.753 1.00 0.00 C ATOM 524 OH TYR A 37 -15.860 11.299 -2.028 1.00 0.00 O ATOM 0 H TYR A 37 -12.208 8.175 0.500 1.00 0.00 H new ATOM 0 HA TYR A 37 -12.019 5.255 0.102 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -13.658 5.603 -1.811 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.339 5.673 -0.198 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -13.281 7.751 -3.089 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.373 7.682 0.624 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -14.225 9.966 -3.579 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -16.321 9.892 0.132 1.00 0.00 H new ATOM 0 HH TYR A 37 -16.441 11.577 -1.289 1.00 0.00 H new ATOM 534 N PRO A 38 -10.331 5.657 -1.672 1.00 0.00 N ATOM 535 CA PRO A 38 -9.307 5.847 -2.689 1.00 0.00 C ATOM 536 C PRO A 38 -9.774 5.386 -4.066 1.00 0.00 C ATOM 537 O PRO A 38 -10.963 5.157 -4.284 1.00 0.00 O ATOM 538 CB PRO A 38 -8.173 4.962 -2.180 1.00 0.00 C ATOM 539 CG PRO A 38 -8.851 3.840 -1.461 1.00 0.00 C ATOM 540 CD PRO A 38 -10.208 4.343 -1.020 1.00 0.00 C ATOM 0 HA PRO A 38 -9.032 6.893 -2.823 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.562 4.591 -3.003 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.510 5.514 -1.514 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.956 2.973 -2.114 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -8.261 3.522 -0.601 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.004 3.667 -1.331 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.268 4.429 0.065 1.00 0.00 H new ATOM 548 N THR A 39 -8.831 5.245 -4.989 1.00 0.00 N ATOM 549 CA THR A 39 -9.149 4.803 -6.343 1.00 0.00 C ATOM 550 C THR A 39 -10.378 5.527 -6.884 1.00 0.00 C ATOM 551 O THR A 39 -11.501 5.034 -6.775 1.00 0.00 O ATOM 552 CB THR A 39 -9.390 3.293 -6.360 1.00 0.00 C ATOM 553 OG1 THR A 39 -10.361 2.930 -5.395 1.00 0.00 O ATOM 554 CG2 THR A 39 -8.142 2.486 -6.080 1.00 0.00 C ATOM 0 H THR A 39 -7.841 5.430 -4.826 1.00 0.00 H new ATOM 0 HA THR A 39 -8.300 5.042 -6.983 1.00 0.00 H new ATOM 0 HB THR A 39 -9.732 3.066 -7.370 1.00 0.00 H new ATOM 0 HG1 THR A 39 -11.079 3.597 -5.386 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.382 1.423 -6.107 1.00 0.00 H new ATOM 0 HG22 THR A 39 -7.389 2.707 -6.836 1.00 0.00 H new ATOM 0 HG23 THR A 39 -7.754 2.746 -5.095 1.00 0.00 H new ATOM 562 N PRO A 40 -10.178 6.711 -7.480 1.00 0.00 N ATOM 563 CA PRO A 40 -11.271 7.509 -8.047 1.00 0.00 C ATOM 564 C PRO A 40 -11.980 6.789 -9.192 1.00 0.00 C ATOM 565 O PRO A 40 -11.337 6.186 -10.051 1.00 0.00 O ATOM 566 CB PRO A 40 -10.570 8.772 -8.561 1.00 0.00 C ATOM 567 CG PRO A 40 -9.136 8.389 -8.711 1.00 0.00 C ATOM 568 CD PRO A 40 -8.870 7.360 -7.651 1.00 0.00 C ATOM 0 HA PRO A 40 -12.049 7.711 -7.311 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.992 9.098 -9.512 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -10.686 9.599 -7.861 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.942 7.985 -9.705 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -8.486 9.255 -8.586 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.105 6.649 -7.963 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.522 7.817 -6.724 1.00 0.00 H new ATOM 576 N LEU A 41 -13.309 6.854 -9.196 1.00 0.00 N ATOM 577 CA LEU A 41 -14.105 6.207 -10.235 1.00 0.00 C ATOM 578 C LEU A 41 -15.234 7.121 -10.706 1.00 0.00 C ATOM 579 O LEU A 41 -15.110 7.801 -11.726 1.00 0.00 O ATOM 580 CB LEU A 41 -14.678 4.884 -9.719 1.00 0.00 C ATOM 581 CG LEU A 41 -13.643 3.896 -9.177 1.00 0.00 C ATOM 582 CD1 LEU A 41 -14.324 2.754 -8.438 1.00 0.00 C ATOM 583 CD2 LEU A 41 -12.778 3.359 -10.307 1.00 0.00 C ATOM 0 H LEU A 41 -13.857 7.348 -8.492 1.00 0.00 H new ATOM 0 HA LEU A 41 -13.453 6.003 -11.084 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -15.398 5.101 -8.930 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -15.227 4.403 -10.529 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.002 4.425 -8.471 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.570 2.063 -8.061 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -14.900 3.153 -7.603 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -14.991 2.226 -9.120 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -12.047 2.658 -9.904 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -13.407 2.848 -11.036 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -12.259 4.186 -10.792 1.00 0.00 H new ATOM 595 N ARG A 42 -16.332 7.136 -9.958 1.00 0.00 N ATOM 596 CA ARG A 42 -17.479 7.971 -10.301 1.00 0.00 C ATOM 597 C ARG A 42 -18.293 7.351 -11.432 1.00 0.00 C ATOM 598 O ARG A 42 -18.022 7.593 -12.609 1.00 0.00 O ATOM 599 CB ARG A 42 -17.012 9.371 -10.702 1.00 0.00 C ATOM 600 CG ARG A 42 -15.897 9.914 -9.826 1.00 0.00 C ATOM 601 CD ARG A 42 -14.899 10.723 -10.638 1.00 0.00 C ATOM 602 NE ARG A 42 -14.705 12.063 -10.090 1.00 0.00 N ATOM 603 CZ ARG A 42 -14.340 13.111 -10.820 1.00 0.00 C ATOM 604 NH1 ARG A 42 -14.136 12.977 -12.124 1.00 0.00 N ATOM 605 NH2 ARG A 42 -14.184 14.295 -10.246 1.00 0.00 N ATOM 0 H ARG A 42 -16.453 6.580 -9.111 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.117 8.043 -9.421 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.671 9.349 -11.737 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -17.861 10.054 -10.660 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -16.321 10.539 -9.040 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.384 9.088 -9.334 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.943 10.200 -10.663 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -15.247 10.800 -11.668 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.858 12.202 -9.091 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.259 12.067 -12.569 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.856 13.784 -12.682 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.344 14.401 -9.244 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.904 15.100 -10.806 1.00 0.00 H new ATOM 619 N SER A 43 -19.294 6.555 -11.063 1.00 0.00 N ATOM 620 CA SER A 43 -20.161 5.895 -12.036 1.00 0.00 C ATOM 621 C SER A 43 -20.695 4.581 -11.471 1.00 0.00 C ATOM 622 O SER A 43 -20.453 3.510 -12.027 1.00 0.00 O ATOM 623 CB SER A 43 -19.405 5.633 -13.341 1.00 0.00 C ATOM 624 OG SER A 43 -19.512 6.737 -14.224 1.00 0.00 O ATOM 0 H SER A 43 -19.526 6.351 -10.091 1.00 0.00 H new ATOM 0 HA SER A 43 -21.002 6.556 -12.245 1.00 0.00 H new ATOM 0 HB2 SER A 43 -18.355 5.438 -13.124 1.00 0.00 H new ATOM 0 HB3 SER A 43 -19.802 4.739 -13.822 1.00 0.00 H new ATOM 0 HG SER A 43 -19.090 7.523 -13.818 1.00 0.00 H new ATOM 630 N LYS A 44 -21.415 4.671 -10.357 1.00 0.00 N ATOM 631 CA LYS A 44 -21.973 3.488 -9.710 1.00 0.00 C ATOM 632 C LYS A 44 -23.494 3.568 -9.622 1.00 0.00 C ATOM 633 O LYS A 44 -24.072 4.655 -9.612 1.00 0.00 O ATOM 634 CB LYS A 44 -21.383 3.327 -8.308 1.00 0.00 C ATOM 635 CG LYS A 44 -20.374 4.406 -7.945 1.00 0.00 C ATOM 636 CD LYS A 44 -19.956 4.309 -6.487 1.00 0.00 C ATOM 637 CE LYS A 44 -18.573 3.694 -6.343 1.00 0.00 C ATOM 638 NZ LYS A 44 -17.608 4.251 -7.335 1.00 0.00 N ATOM 0 H LYS A 44 -21.626 5.550 -9.884 1.00 0.00 H new ATOM 0 HA LYS A 44 -21.711 2.621 -10.317 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -22.193 3.338 -7.578 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -20.902 2.352 -8.235 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -19.495 4.314 -8.583 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -20.805 5.388 -8.136 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -19.962 5.303 -6.039 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -20.681 3.708 -5.939 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -18.200 3.873 -5.335 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -18.641 2.614 -6.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.654 4.266 -6.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.606 3.657 -8.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.891 5.219 -7.588 1.00 0.00 H new ATOM 652 N LYS A 45 -24.134 2.404 -9.550 1.00 0.00 N ATOM 653 CA LYS A 45 -25.587 2.330 -9.452 1.00 0.00 C ATOM 654 C LYS A 45 -26.003 1.567 -8.198 1.00 0.00 C ATOM 655 O LYS A 45 -26.947 1.953 -7.509 1.00 0.00 O ATOM 656 CB LYS A 45 -26.171 1.654 -10.694 1.00 0.00 C ATOM 657 CG LYS A 45 -26.997 2.590 -11.563 1.00 0.00 C ATOM 658 CD LYS A 45 -27.738 1.833 -12.653 1.00 0.00 C ATOM 659 CE LYS A 45 -27.809 2.637 -13.942 1.00 0.00 C ATOM 660 NZ LYS A 45 -28.804 2.072 -14.894 1.00 0.00 N ATOM 0 H LYS A 45 -23.667 1.497 -9.558 1.00 0.00 H new ATOM 0 HA LYS A 45 -25.977 3.346 -9.387 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -25.357 1.242 -11.290 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -26.794 0.816 -10.382 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -27.713 3.128 -10.941 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -26.345 3.337 -12.016 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -27.237 0.884 -12.843 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -28.747 1.599 -12.313 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -28.072 3.669 -13.712 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -26.826 2.656 -14.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -28.822 2.648 -15.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -28.539 1.095 -15.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -29.747 2.077 -14.455 1.00 0.00 H new ATOM 674 N THR A 46 -25.287 0.482 -7.904 1.00 0.00 N ATOM 675 CA THR A 46 -25.580 -0.335 -6.727 1.00 0.00 C ATOM 676 C THR A 46 -24.952 -1.723 -6.848 1.00 0.00 C ATOM 677 O THR A 46 -25.435 -2.568 -7.602 1.00 0.00 O ATOM 678 CB THR A 46 -27.091 -0.468 -6.531 1.00 0.00 C ATOM 679 OG1 THR A 46 -27.780 -0.203 -7.740 1.00 0.00 O ATOM 680 CG2 THR A 46 -27.643 0.465 -5.475 1.00 0.00 C ATOM 0 H THR A 46 -24.502 0.149 -8.463 1.00 0.00 H new ATOM 0 HA THR A 46 -25.148 0.166 -5.860 1.00 0.00 H new ATOM 0 HB THR A 46 -27.249 -1.496 -6.203 1.00 0.00 H new ATOM 0 HG1 THR A 46 -28.075 0.731 -7.750 1.00 0.00 H new ATOM 0 HG21 THR A 46 -28.720 0.319 -5.387 1.00 0.00 H new ATOM 0 HG22 THR A 46 -27.168 0.252 -4.517 1.00 0.00 H new ATOM 0 HG23 THR A 46 -27.439 1.497 -5.759 1.00 0.00 H new ATOM 688 N MET A 47 -23.875 -1.954 -6.100 1.00 0.00 N ATOM 689 CA MET A 47 -23.191 -3.244 -6.131 1.00 0.00 C ATOM 690 C MET A 47 -22.292 -3.425 -4.909 1.00 0.00 C ATOM 691 O MET A 47 -21.579 -2.505 -4.510 1.00 0.00 O ATOM 692 CB MET A 47 -22.360 -3.368 -7.410 1.00 0.00 C ATOM 693 CG MET A 47 -21.270 -4.425 -7.329 1.00 0.00 C ATOM 694 SD MET A 47 -21.289 -5.548 -8.740 1.00 0.00 S ATOM 695 CE MET A 47 -23.037 -5.922 -8.852 1.00 0.00 C ATOM 0 H MET A 47 -23.459 -1.269 -5.469 1.00 0.00 H new ATOM 0 HA MET A 47 -23.950 -4.026 -6.114 1.00 0.00 H new ATOM 0 HB2 MET A 47 -23.023 -3.605 -8.242 1.00 0.00 H new ATOM 0 HB3 MET A 47 -21.903 -2.403 -7.631 1.00 0.00 H new ATOM 0 HG2 MET A 47 -20.298 -3.936 -7.272 1.00 0.00 H new ATOM 0 HG3 MET A 47 -21.393 -4.999 -6.411 1.00 0.00 H new ATOM 0 HE1 MET A 47 -23.168 -6.945 -9.206 1.00 0.00 H new ATOM 0 HE2 MET A 47 -23.495 -5.817 -7.869 1.00 0.00 H new ATOM 0 HE3 MET A 47 -23.513 -5.233 -9.550 1.00 0.00 H new ATOM 705 N LEU A 48 -22.330 -4.620 -4.322 1.00 0.00 N ATOM 706 CA LEU A 48 -21.516 -4.922 -3.147 1.00 0.00 C ATOM 707 C LEU A 48 -21.626 -6.400 -2.772 1.00 0.00 C ATOM 708 O LEU A 48 -22.697 -6.999 -2.877 1.00 0.00 O ATOM 709 CB LEU A 48 -21.943 -4.036 -1.971 1.00 0.00 C ATOM 710 CG LEU A 48 -21.884 -4.693 -0.587 1.00 0.00 C ATOM 711 CD1 LEU A 48 -20.609 -4.293 0.139 1.00 0.00 C ATOM 712 CD2 LEU A 48 -23.108 -4.311 0.232 1.00 0.00 C ATOM 0 H LEU A 48 -22.914 -5.393 -4.640 1.00 0.00 H new ATOM 0 HA LEU A 48 -20.473 -4.713 -3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -21.309 -3.149 -1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -22.963 -3.696 -2.148 1.00 0.00 H new ATOM 0 HG LEU A 48 -21.879 -5.775 -0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -20.584 -4.769 1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -19.744 -4.613 -0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -20.584 -3.210 0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -23.052 -4.785 1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -23.141 -3.228 0.354 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -24.009 -4.646 -0.282 1.00 0.00 H new ATOM 724 N VAL A 49 -20.512 -6.982 -2.332 1.00 0.00 N ATOM 725 CA VAL A 49 -20.482 -8.390 -1.941 1.00 0.00 C ATOM 726 C VAL A 49 -21.470 -8.676 -0.812 1.00 0.00 C ATOM 727 O VAL A 49 -21.781 -7.798 -0.006 1.00 0.00 O ATOM 728 CB VAL A 49 -19.070 -8.821 -1.498 1.00 0.00 C ATOM 729 CG1 VAL A 49 -18.704 -8.184 -0.166 1.00 0.00 C ATOM 730 CG2 VAL A 49 -18.973 -10.337 -1.415 1.00 0.00 C ATOM 0 H VAL A 49 -19.618 -6.500 -2.237 1.00 0.00 H new ATOM 0 HA VAL A 49 -20.770 -8.965 -2.821 1.00 0.00 H new ATOM 0 HB VAL A 49 -18.358 -8.474 -2.246 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -17.704 -8.502 0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -18.725 -7.099 -0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -19.421 -8.494 0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -17.969 -10.621 -1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -19.698 -10.709 -0.691 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -19.183 -10.769 -2.394 1.00 0.00 H new ATOM 740 N GLN A 50 -21.961 -9.912 -0.764 1.00 0.00 N ATOM 741 CA GLN A 50 -22.916 -10.323 0.259 1.00 0.00 C ATOM 742 C GLN A 50 -22.474 -9.851 1.642 1.00 0.00 C ATOM 743 O GLN A 50 -21.295 -9.578 1.869 1.00 0.00 O ATOM 744 CB GLN A 50 -23.094 -11.850 0.233 1.00 0.00 C ATOM 745 CG GLN A 50 -22.521 -12.580 1.443 1.00 0.00 C ATOM 746 CD GLN A 50 -21.280 -13.383 1.107 1.00 0.00 C ATOM 747 OE1 GLN A 50 -20.777 -13.333 -0.016 1.00 0.00 O ATOM 748 NE2 GLN A 50 -20.777 -14.132 2.083 1.00 0.00 N ATOM 0 H GLN A 50 -21.711 -10.648 -1.425 1.00 0.00 H new ATOM 0 HA GLN A 50 -23.877 -9.857 0.041 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -24.158 -12.077 0.159 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -22.621 -12.242 -0.668 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -22.280 -11.854 2.220 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -23.280 -13.246 1.853 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -21.225 -14.144 2.999 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -19.943 -14.694 1.916 1.00 0.00 H new ATOM 757 N LYS A 51 -23.429 -9.759 2.562 1.00 0.00 N ATOM 758 CA LYS A 51 -23.142 -9.321 3.923 1.00 0.00 C ATOM 759 C LYS A 51 -22.798 -10.513 4.813 1.00 0.00 C ATOM 760 O LYS A 51 -23.499 -11.525 4.802 1.00 0.00 O ATOM 761 CB LYS A 51 -24.342 -8.561 4.496 1.00 0.00 C ATOM 762 CG LYS A 51 -24.587 -8.824 5.973 1.00 0.00 C ATOM 763 CD LYS A 51 -25.844 -8.125 6.462 1.00 0.00 C ATOM 764 CE LYS A 51 -25.526 -6.766 7.064 1.00 0.00 C ATOM 765 NZ LYS A 51 -26.498 -6.385 8.125 1.00 0.00 N ATOM 0 H LYS A 51 -24.409 -9.982 2.389 1.00 0.00 H new ATOM 0 HA LYS A 51 -22.281 -8.654 3.896 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -24.188 -7.492 4.348 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -25.235 -8.835 3.935 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -24.677 -9.897 6.143 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -23.730 -8.480 6.552 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -26.540 -8.003 5.632 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -26.341 -8.747 7.206 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -24.520 -6.781 7.483 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -25.533 -6.011 6.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -26.245 -5.452 8.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -27.455 -6.345 7.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -26.474 -7.091 8.888 1.00 0.00 H new ATOM 779 N ASN A 52 -21.714 -10.378 5.579 1.00 0.00 N ATOM 780 CA ASN A 52 -21.253 -11.433 6.486 1.00 0.00 C ATOM 781 C ASN A 52 -19.778 -11.740 6.244 1.00 0.00 C ATOM 782 O ASN A 52 -19.417 -12.321 5.220 1.00 0.00 O ATOM 783 CB ASN A 52 -22.084 -12.707 6.315 1.00 0.00 C ATOM 784 CG ASN A 52 -21.595 -13.842 7.192 1.00 0.00 C ATOM 785 OD1 ASN A 52 -21.374 -14.955 6.716 1.00 0.00 O ATOM 786 ND2 ASN A 52 -21.421 -13.561 8.479 1.00 0.00 N ATOM 0 H ASN A 52 -21.133 -9.540 5.589 1.00 0.00 H new ATOM 0 HA ASN A 52 -21.378 -11.073 7.507 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -23.126 -12.492 6.553 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -22.053 -13.020 5.271 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -21.618 -12.623 8.827 1.00 0.00 H new ATOM 791 N VAL A 53 -18.930 -11.343 7.187 1.00 0.00 N ATOM 792 CA VAL A 53 -17.494 -11.572 7.069 1.00 0.00 C ATOM 793 C VAL A 53 -16.910 -10.754 5.923 1.00 0.00 C ATOM 794 O VAL A 53 -17.644 -10.127 5.158 1.00 0.00 O ATOM 795 CB VAL A 53 -17.176 -13.061 6.838 1.00 0.00 C ATOM 796 CG1 VAL A 53 -15.865 -13.441 7.509 1.00 0.00 C ATOM 797 CG2 VAL A 53 -18.313 -13.934 7.345 1.00 0.00 C ATOM 0 H VAL A 53 -19.212 -10.861 8.041 1.00 0.00 H new ATOM 0 HA VAL A 53 -17.042 -11.259 8.010 1.00 0.00 H new ATOM 0 HB VAL A 53 -17.069 -13.227 5.766 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -15.659 -14.497 7.334 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -15.056 -12.840 7.094 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -15.939 -13.259 8.581 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -18.071 -14.983 7.173 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -18.454 -13.764 8.412 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -19.230 -13.682 6.813 1.00 0.00 H new ATOM 807 N THR A 54 -15.588 -10.763 5.808 1.00 0.00 N ATOM 808 CA THR A 54 -14.913 -10.020 4.752 1.00 0.00 C ATOM 809 C THR A 54 -13.655 -10.749 4.293 1.00 0.00 C ATOM 810 O THR A 54 -12.864 -11.218 5.111 1.00 0.00 O ATOM 811 CB THR A 54 -14.558 -8.611 5.234 1.00 0.00 C ATOM 812 OG1 THR A 54 -13.181 -8.345 5.039 1.00 0.00 O ATOM 813 CG2 THR A 54 -14.868 -8.382 6.698 1.00 0.00 C ATOM 0 H THR A 54 -14.964 -11.275 6.431 1.00 0.00 H new ATOM 0 HA THR A 54 -15.594 -9.942 3.905 1.00 0.00 H new ATOM 0 HB THR A 54 -15.177 -7.939 4.639 1.00 0.00 H new ATOM 0 HG1 THR A 54 -12.975 -7.439 5.352 1.00 0.00 H new ATOM 0 HG21 THR A 54 -14.592 -7.364 6.973 1.00 0.00 H new ATOM 0 HG22 THR A 54 -15.934 -8.529 6.871 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.301 -9.088 7.305 1.00 0.00 H new ATOM 821 N SER A 55 -13.475 -10.839 2.981 1.00 0.00 N ATOM 822 CA SER A 55 -12.312 -11.511 2.417 1.00 0.00 C ATOM 823 C SER A 55 -11.424 -10.523 1.673 1.00 0.00 C ATOM 824 O SER A 55 -11.682 -10.189 0.516 1.00 0.00 O ATOM 825 CB SER A 55 -12.748 -12.632 1.473 1.00 0.00 C ATOM 826 OG SER A 55 -11.935 -12.665 0.313 1.00 0.00 O ATOM 0 H SER A 55 -14.119 -10.456 2.289 1.00 0.00 H new ATOM 0 HA SER A 55 -11.740 -11.942 3.239 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.690 -13.590 1.989 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.790 -12.487 1.187 1.00 0.00 H new ATOM 0 HG SER A 55 -12.014 -11.814 -0.166 1.00 0.00 H new ATOM 832 N GLU A 56 -10.377 -10.055 2.343 1.00 0.00 N ATOM 833 CA GLU A 56 -9.452 -9.103 1.741 1.00 0.00 C ATOM 834 C GLU A 56 -8.249 -8.859 2.645 1.00 0.00 C ATOM 835 O GLU A 56 -8.372 -8.246 3.706 1.00 0.00 O ATOM 836 CB GLU A 56 -10.166 -7.780 1.460 1.00 0.00 C ATOM 837 CG GLU A 56 -9.822 -7.175 0.109 1.00 0.00 C ATOM 838 CD GLU A 56 -8.362 -7.359 -0.258 1.00 0.00 C ATOM 839 OE1 GLU A 56 -8.017 -8.432 -0.796 1.00 0.00 O ATOM 840 OE2 GLU A 56 -7.565 -6.431 -0.008 1.00 0.00 O ATOM 0 H GLU A 56 -10.148 -10.319 3.301 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.095 -9.527 0.802 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.243 -7.940 1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.911 -7.066 2.243 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.446 -7.632 -0.659 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.059 -6.111 0.121 1.00 0.00 H new ATOM 847 N SER A 57 -7.086 -9.337 2.216 1.00 0.00 N ATOM 848 CA SER A 57 -5.859 -9.163 2.984 1.00 0.00 C ATOM 849 C SER A 57 -5.510 -7.681 3.112 1.00 0.00 C ATOM 850 O SER A 57 -5.493 -6.952 2.121 1.00 0.00 O ATOM 851 CB SER A 57 -4.709 -9.918 2.317 1.00 0.00 C ATOM 852 OG SER A 57 -3.959 -9.062 1.474 1.00 0.00 O ATOM 0 H SER A 57 -6.967 -9.848 1.341 1.00 0.00 H new ATOM 0 HA SER A 57 -6.017 -9.569 3.983 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.058 -10.344 3.081 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.105 -10.751 1.736 1.00 0.00 H new ATOM 0 HG SER A 57 -4.506 -8.289 1.223 1.00 0.00 H new ATOM 858 N THR A 58 -5.244 -7.239 4.339 1.00 0.00 N ATOM 859 CA THR A 58 -4.909 -5.839 4.589 1.00 0.00 C ATOM 860 C THR A 58 -3.525 -5.486 4.059 1.00 0.00 C ATOM 861 O THR A 58 -2.905 -6.264 3.335 1.00 0.00 O ATOM 862 CB THR A 58 -4.977 -5.529 6.082 1.00 0.00 C ATOM 863 OG1 THR A 58 -4.613 -6.662 6.850 1.00 0.00 O ATOM 864 CG2 THR A 58 -6.348 -5.083 6.535 1.00 0.00 C ATOM 0 H THR A 58 -5.254 -7.827 5.172 1.00 0.00 H new ATOM 0 HA THR A 58 -5.643 -5.233 4.058 1.00 0.00 H new ATOM 0 HB THR A 58 -4.276 -4.709 6.240 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.662 -6.440 7.803 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.329 -4.878 7.605 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.632 -4.178 5.998 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.073 -5.870 6.329 1.00 0.00 H new ATOM 872 N CYS A 59 -3.054 -4.296 4.423 1.00 0.00 N ATOM 873 CA CYS A 59 -1.751 -3.820 3.984 1.00 0.00 C ATOM 874 C CYS A 59 -1.725 -3.684 2.471 1.00 0.00 C ATOM 875 O CYS A 59 -2.232 -4.545 1.754 1.00 0.00 O ATOM 876 CB CYS A 59 -0.645 -4.772 4.443 1.00 0.00 C ATOM 877 SG CYS A 59 0.070 -4.355 6.065 1.00 0.00 S ATOM 0 H CYS A 59 -3.559 -3.644 5.023 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.574 -2.842 4.432 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.046 -5.785 4.484 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.150 -4.774 3.697 1.00 0.00 H new ATOM 882 N CYS A 60 -1.137 -2.598 1.987 1.00 0.00 N ATOM 883 CA CYS A 60 -1.057 -2.359 0.555 1.00 0.00 C ATOM 884 C CYS A 60 -0.163 -3.395 -0.111 1.00 0.00 C ATOM 885 O CYS A 60 0.849 -3.054 -0.722 1.00 0.00 O ATOM 886 CB CYS A 60 -0.524 -0.953 0.271 1.00 0.00 C ATOM 887 SG CYS A 60 -0.943 0.278 1.547 1.00 0.00 S ATOM 0 H CYS A 60 -0.711 -1.872 2.563 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.062 -2.443 0.142 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.560 -1.001 0.171 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.918 -0.614 -0.687 1.00 0.00 H new ATOM 892 N VAL A 61 -0.544 -4.662 0.014 1.00 0.00 N ATOM 893 CA VAL A 61 0.218 -5.751 -0.577 1.00 0.00 C ATOM 894 C VAL A 61 0.309 -5.586 -2.087 1.00 0.00 C ATOM 895 O VAL A 61 -0.283 -6.359 -2.837 1.00 0.00 O ATOM 896 CB VAL A 61 -0.421 -7.116 -0.255 1.00 0.00 C ATOM 897 CG1 VAL A 61 -1.867 -7.154 -0.726 1.00 0.00 C ATOM 898 CG2 VAL A 61 0.381 -8.249 -0.879 1.00 0.00 C ATOM 0 H VAL A 61 -1.378 -4.958 0.521 1.00 0.00 H new ATOM 0 HA VAL A 61 1.219 -5.718 -0.147 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.411 -7.251 0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.301 -8.126 -0.490 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.434 -6.371 -0.223 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.903 -6.993 -1.803 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.089 -9.203 -0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.410 -8.121 -1.961 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.397 -8.235 -0.485 1.00 0.00 H new ATOM 908 N ALA A 62 1.048 -4.563 -2.518 1.00 0.00 N ATOM 909 CA ALA A 62 1.223 -4.270 -3.938 1.00 0.00 C ATOM 910 C ALA A 62 0.295 -5.113 -4.803 1.00 0.00 C ATOM 911 O ALA A 62 0.497 -6.318 -4.954 1.00 0.00 O ATOM 912 CB ALA A 62 2.670 -4.485 -4.348 1.00 0.00 C ATOM 0 H ALA A 62 1.538 -3.919 -1.897 1.00 0.00 H new ATOM 0 HA ALA A 62 0.962 -3.223 -4.095 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.784 -4.263 -5.409 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.315 -3.825 -3.767 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.951 -5.522 -4.162 1.00 0.00 H new ATOM 918 N LYS A 63 -0.714 -4.471 -5.380 1.00 0.00 N ATOM 919 CA LYS A 63 -1.659 -5.161 -6.235 1.00 0.00 C ATOM 920 C LYS A 63 -0.911 -5.859 -7.347 1.00 0.00 C ATOM 921 O LYS A 63 -1.313 -6.919 -7.827 1.00 0.00 O ATOM 922 CB LYS A 63 -2.658 -4.173 -6.826 1.00 0.00 C ATOM 923 CG LYS A 63 -3.927 -4.838 -7.308 1.00 0.00 C ATOM 924 CD LYS A 63 -4.814 -3.870 -8.074 1.00 0.00 C ATOM 925 CE LYS A 63 -6.267 -3.989 -7.645 1.00 0.00 C ATOM 926 NZ LYS A 63 -7.128 -4.517 -8.739 1.00 0.00 N ATOM 0 H LYS A 63 -0.895 -3.473 -5.268 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.205 -5.896 -5.643 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.909 -3.424 -6.075 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.191 -3.646 -7.658 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.674 -5.684 -7.948 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.476 -5.237 -6.455 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.467 -2.850 -7.910 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.732 -4.067 -9.143 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.337 -4.647 -6.779 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.635 -3.011 -7.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.111 -4.583 -8.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.082 -3.876 -9.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.793 -5.461 -9.019 1.00 0.00 H new ATOM 940 N SER A 64 0.196 -5.251 -7.733 1.00 0.00 N ATOM 941 CA SER A 64 1.046 -5.787 -8.772 1.00 0.00 C ATOM 942 C SER A 64 2.494 -5.426 -8.468 1.00 0.00 C ATOM 943 O SER A 64 2.808 -4.261 -8.233 1.00 0.00 O ATOM 944 CB SER A 64 0.638 -5.242 -10.141 1.00 0.00 C ATOM 945 OG SER A 64 -0.230 -6.141 -10.812 1.00 0.00 O ATOM 0 H SER A 64 0.528 -4.373 -7.334 1.00 0.00 H new ATOM 0 HA SER A 64 0.938 -6.871 -8.798 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.144 -4.278 -10.019 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.528 -5.070 -10.747 1.00 0.00 H new ATOM 0 HG SER A 64 -0.477 -5.768 -11.684 1.00 0.00 H new ATOM 951 N TYR A 65 3.371 -6.419 -8.446 1.00 0.00 N ATOM 952 CA TYR A 65 4.776 -6.172 -8.136 1.00 0.00 C ATOM 953 C TYR A 65 5.675 -6.406 -9.332 1.00 0.00 C ATOM 954 O TYR A 65 5.335 -7.152 -10.250 1.00 0.00 O ATOM 955 CB TYR A 65 5.241 -7.079 -6.993 1.00 0.00 C ATOM 956 CG TYR A 65 4.565 -8.431 -6.962 1.00 0.00 C ATOM 957 CD1 TYR A 65 3.203 -8.544 -6.710 1.00 0.00 C ATOM 958 CD2 TYR A 65 5.291 -9.595 -7.180 1.00 0.00 C ATOM 959 CE1 TYR A 65 2.585 -9.780 -6.677 1.00 0.00 C ATOM 960 CE2 TYR A 65 4.680 -10.833 -7.148 1.00 0.00 C ATOM 961 CZ TYR A 65 3.328 -10.920 -6.897 1.00 0.00 C ATOM 962 OH TYR A 65 2.716 -12.152 -6.864 1.00 0.00 O ATOM 0 H TYR A 65 3.141 -7.394 -8.637 1.00 0.00 H new ATOM 0 HA TYR A 65 4.851 -5.125 -7.844 1.00 0.00 H new ATOM 0 HB2 TYR A 65 6.318 -7.225 -7.075 1.00 0.00 H new ATOM 0 HB3 TYR A 65 5.060 -6.572 -6.045 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.618 -7.652 -6.537 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.351 -9.531 -7.378 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.526 -9.852 -6.480 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.259 -11.729 -7.319 1.00 0.00 H new ATOM 0 HH TYR A 65 3.379 -12.852 -7.040 1.00 0.00 H new ATOM 972 N ASN A 66 6.854 -5.800 -9.283 1.00 0.00 N ATOM 973 CA ASN A 66 7.841 -5.986 -10.339 1.00 0.00 C ATOM 974 C ASN A 66 9.151 -6.347 -9.692 1.00 0.00 C ATOM 975 O ASN A 66 10.239 -6.090 -10.207 1.00 0.00 O ATOM 976 CB ASN A 66 7.981 -4.744 -11.205 1.00 0.00 C ATOM 977 CG ASN A 66 7.971 -5.066 -12.687 1.00 0.00 C ATOM 978 OD1 ASN A 66 7.088 -4.628 -13.424 1.00 0.00 O ATOM 979 ND2 ASN A 66 8.959 -5.836 -13.130 1.00 0.00 N ATOM 0 H ASN A 66 7.149 -5.180 -8.529 1.00 0.00 H new ATOM 0 HA ASN A 66 7.517 -6.787 -11.004 1.00 0.00 H new ATOM 0 HB2 ASN A 66 7.167 -4.055 -10.981 1.00 0.00 H new ATOM 0 HB3 ASN A 66 8.910 -4.232 -10.954 1.00 0.00 H new ATOM 0 HD21 ASN A 66 9.007 -6.087 -14.118 1.00 0.00 H new ATOM 0 HD22 ASN A 66 9.670 -6.177 -12.482 1.00 0.00 H new ATOM 986 N ARG A 67 8.980 -6.953 -8.541 1.00 0.00 N ATOM 987 CA ARG A 67 10.062 -7.416 -7.690 1.00 0.00 C ATOM 988 C ARG A 67 11.431 -7.212 -8.319 1.00 0.00 C ATOM 989 O ARG A 67 11.695 -7.640 -9.442 1.00 0.00 O ATOM 990 CB ARG A 67 9.840 -8.883 -7.353 1.00 0.00 C ATOM 991 CG ARG A 67 10.062 -9.215 -5.890 1.00 0.00 C ATOM 992 CD ARG A 67 10.918 -10.460 -5.734 1.00 0.00 C ATOM 993 NE ARG A 67 10.375 -11.592 -6.480 1.00 0.00 N ATOM 994 CZ ARG A 67 9.324 -12.299 -6.080 1.00 0.00 C ATOM 995 NH1 ARG A 67 8.711 -11.991 -4.947 1.00 0.00 N ATOM 996 NH2 ARG A 67 8.885 -13.316 -6.812 1.00 0.00 N ATOM 0 H ARG A 67 8.056 -7.146 -8.154 1.00 0.00 H new ATOM 0 HA ARG A 67 10.051 -6.818 -6.779 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.822 -9.159 -7.628 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.511 -9.491 -7.960 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.545 -8.374 -5.392 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.101 -9.367 -5.399 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.930 -10.250 -6.079 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.989 -10.722 -4.678 1.00 0.00 H new ATOM 0 HE ARG A 67 10.827 -11.854 -7.356 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.046 -11.211 -4.382 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.904 -12.534 -4.640 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.355 -13.557 -7.685 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.078 -13.857 -6.502 1.00 0.00 H new ATOM 1010 N VAL A 68 12.294 -6.557 -7.559 1.00 0.00 N ATOM 1011 CA VAL A 68 13.657 -6.272 -7.985 1.00 0.00 C ATOM 1012 C VAL A 68 14.631 -6.510 -6.838 1.00 0.00 C ATOM 1013 O VAL A 68 15.427 -5.638 -6.495 1.00 0.00 O ATOM 1014 CB VAL A 68 13.813 -4.813 -8.460 1.00 0.00 C ATOM 1015 CG1 VAL A 68 12.737 -4.438 -9.471 1.00 0.00 C ATOM 1016 CG2 VAL A 68 13.784 -3.865 -7.271 1.00 0.00 C ATOM 0 H VAL A 68 12.070 -6.207 -6.628 1.00 0.00 H new ATOM 0 HA VAL A 68 13.877 -6.942 -8.816 1.00 0.00 H new ATOM 0 HB VAL A 68 14.779 -4.724 -8.958 1.00 0.00 H new ATOM 0 HG11 VAL A 68 12.877 -3.403 -9.784 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.809 -5.093 -10.339 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.754 -4.549 -9.014 1.00 0.00 H new ATOM 0 HG21 VAL A 68 13.895 -2.839 -7.621 1.00 0.00 H new ATOM 0 HG22 VAL A 68 12.834 -3.969 -6.746 1.00 0.00 H new ATOM 0 HG23 VAL A 68 14.602 -4.107 -6.592 1.00 0.00 H new ATOM 1026 N THR A 69 14.546 -7.687 -6.238 1.00 0.00 N ATOM 1027 CA THR A 69 15.401 -8.037 -5.114 1.00 0.00 C ATOM 1028 C THR A 69 16.711 -7.258 -5.139 1.00 0.00 C ATOM 1029 O THR A 69 17.497 -7.362 -6.082 1.00 0.00 O ATOM 1030 CB THR A 69 15.695 -9.532 -5.100 1.00 0.00 C ATOM 1031 OG1 THR A 69 14.544 -10.268 -4.721 1.00 0.00 O ATOM 1032 CG2 THR A 69 16.810 -9.893 -4.147 1.00 0.00 C ATOM 0 H THR A 69 13.891 -8.419 -6.512 1.00 0.00 H new ATOM 0 HA THR A 69 14.860 -7.770 -4.206 1.00 0.00 H new ATOM 0 HB THR A 69 15.999 -9.787 -6.115 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.754 -11.225 -4.720 1.00 0.00 H new ATOM 0 HG21 THR A 69 16.979 -10.969 -4.176 1.00 0.00 H new ATOM 0 HG22 THR A 69 17.722 -9.374 -4.441 1.00 0.00 H new ATOM 0 HG23 THR A 69 16.534 -9.596 -3.135 1.00 0.00 H new ATOM 1040 N VAL A 70 16.929 -6.480 -4.091 1.00 0.00 N ATOM 1041 CA VAL A 70 18.138 -5.668 -3.961 1.00 0.00 C ATOM 1042 C VAL A 70 18.960 -6.072 -2.744 1.00 0.00 C ATOM 1043 O VAL A 70 18.708 -7.096 -2.110 1.00 0.00 O ATOM 1044 CB VAL A 70 17.807 -4.168 -3.843 1.00 0.00 C ATOM 1045 CG1 VAL A 70 18.523 -3.378 -4.927 1.00 0.00 C ATOM 1046 CG2 VAL A 70 16.303 -3.941 -3.904 1.00 0.00 C ATOM 0 H VAL A 70 16.280 -6.390 -3.309 1.00 0.00 H new ATOM 0 HA VAL A 70 18.717 -5.844 -4.868 1.00 0.00 H new ATOM 0 HB VAL A 70 18.160 -3.812 -2.875 1.00 0.00 H new ATOM 0 HG11 VAL A 70 18.278 -2.321 -4.829 1.00 0.00 H new ATOM 0 HG12 VAL A 70 19.600 -3.512 -4.824 1.00 0.00 H new ATOM 0 HG13 VAL A 70 18.205 -3.734 -5.907 1.00 0.00 H new ATOM 0 HG21 VAL A 70 16.092 -2.875 -3.819 1.00 0.00 H new ATOM 0 HG22 VAL A 70 15.917 -4.312 -4.853 1.00 0.00 H new ATOM 0 HG23 VAL A 70 15.821 -4.473 -3.084 1.00 0.00 H new ATOM 1056 N MET A 71 19.947 -5.244 -2.434 1.00 0.00 N ATOM 1057 CA MET A 71 20.834 -5.475 -1.296 1.00 0.00 C ATOM 1058 C MET A 71 21.154 -6.953 -1.129 1.00 0.00 C ATOM 1059 O MET A 71 21.405 -7.662 -2.104 1.00 0.00 O ATOM 1060 CB MET A 71 20.206 -4.944 -0.008 1.00 0.00 C ATOM 1061 CG MET A 71 19.287 -3.766 -0.230 1.00 0.00 C ATOM 1062 SD MET A 71 19.395 -2.524 1.076 1.00 0.00 S ATOM 1063 CE MET A 71 21.154 -2.511 1.415 1.00 0.00 C ATOM 0 H MET A 71 20.158 -4.396 -2.960 1.00 0.00 H new ATOM 0 HA MET A 71 21.762 -4.940 -1.496 1.00 0.00 H new ATOM 0 HB2 MET A 71 19.646 -5.747 0.472 1.00 0.00 H new ATOM 0 HB3 MET A 71 20.999 -4.652 0.681 1.00 0.00 H new ATOM 0 HG2 MET A 71 19.528 -3.301 -1.186 1.00 0.00 H new ATOM 0 HG3 MET A 71 18.259 -4.123 -0.299 1.00 0.00 H new ATOM 0 HE1 MET A 71 21.443 -1.534 1.803 1.00 0.00 H new ATOM 0 HE2 MET A 71 21.388 -3.278 2.153 1.00 0.00 H new ATOM 0 HE3 MET A 71 21.703 -2.713 0.495 1.00 0.00 H new ATOM 1073 N GLY A 72 21.147 -7.406 0.119 1.00 0.00 N ATOM 1074 CA GLY A 72 21.442 -8.786 0.408 1.00 0.00 C ATOM 1075 C GLY A 72 20.357 -9.735 -0.061 1.00 0.00 C ATOM 1076 O GLY A 72 20.424 -10.937 0.192 1.00 0.00 O ATOM 0 H GLY A 72 20.940 -6.833 0.937 1.00 0.00 H new ATOM 0 HA2 GLY A 72 22.385 -9.057 -0.067 1.00 0.00 H new ATOM 0 HA3 GLY A 72 21.581 -8.905 1.483 1.00 0.00 H new ATOM 1080 N GLY A 73 19.355 -9.197 -0.744 1.00 0.00 N ATOM 1081 CA GLY A 73 18.267 -10.019 -1.234 1.00 0.00 C ATOM 1082 C GLY A 73 16.912 -9.414 -0.936 1.00 0.00 C ATOM 1083 O GLY A 73 15.937 -10.133 -0.717 1.00 0.00 O ATOM 0 H GLY A 73 19.277 -8.205 -0.967 1.00 0.00 H new ATOM 0 HA2 GLY A 73 18.373 -10.155 -2.310 1.00 0.00 H new ATOM 0 HA3 GLY A 73 18.329 -11.008 -0.780 1.00 0.00 H new ATOM 1087 N PHE A 74 16.853 -8.086 -0.930 1.00 0.00 N ATOM 1088 CA PHE A 74 15.611 -7.374 -0.660 1.00 0.00 C ATOM 1089 C PHE A 74 14.522 -7.803 -1.633 1.00 0.00 C ATOM 1090 O PHE A 74 14.773 -8.589 -2.544 1.00 0.00 O ATOM 1091 CB PHE A 74 15.838 -5.863 -0.749 1.00 0.00 C ATOM 1092 CG PHE A 74 16.413 -5.284 0.510 1.00 0.00 C ATOM 1093 CD1 PHE A 74 17.134 -6.084 1.380 1.00 0.00 C ATOM 1094 CD2 PHE A 74 16.231 -3.947 0.829 1.00 0.00 C ATOM 1095 CE1 PHE A 74 17.666 -5.565 2.544 1.00 0.00 C ATOM 1096 CE2 PHE A 74 16.760 -3.422 1.994 1.00 0.00 C ATOM 1097 CZ PHE A 74 17.478 -4.232 2.852 1.00 0.00 C ATOM 0 H PHE A 74 17.654 -7.481 -1.110 1.00 0.00 H new ATOM 0 HA PHE A 74 15.285 -7.622 0.350 1.00 0.00 H new ATOM 0 HB2 PHE A 74 16.510 -5.650 -1.581 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.891 -5.371 -0.970 1.00 0.00 H new ATOM 0 HD1 PHE A 74 17.282 -7.128 1.145 1.00 0.00 H new ATOM 0 HD2 PHE A 74 15.671 -3.309 0.161 1.00 0.00 H new ATOM 0 HE1 PHE A 74 18.228 -6.201 3.212 1.00 0.00 H new ATOM 0 HE2 PHE A 74 16.612 -2.379 2.233 1.00 0.00 H new ATOM 0 HZ PHE A 74 17.892 -3.824 3.762 1.00 0.00 H new ATOM 1107 N LYS A 75 13.314 -7.285 -1.433 1.00 0.00 N ATOM 1108 CA LYS A 75 12.188 -7.620 -2.297 1.00 0.00 C ATOM 1109 C LYS A 75 11.148 -6.506 -2.293 1.00 0.00 C ATOM 1110 O LYS A 75 10.220 -6.509 -1.483 1.00 0.00 O ATOM 1111 CB LYS A 75 11.538 -8.929 -1.850 1.00 0.00 C ATOM 1112 CG LYS A 75 12.380 -10.164 -2.124 1.00 0.00 C ATOM 1113 CD LYS A 75 12.471 -11.058 -0.899 1.00 0.00 C ATOM 1114 CE LYS A 75 11.263 -11.974 -0.793 1.00 0.00 C ATOM 1115 NZ LYS A 75 10.791 -12.109 0.612 1.00 0.00 N ATOM 0 H LYS A 75 13.090 -6.633 -0.681 1.00 0.00 H new ATOM 0 HA LYS A 75 12.571 -7.739 -3.310 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.331 -8.873 -0.781 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.578 -9.037 -2.355 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.948 -10.724 -2.953 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.381 -9.862 -2.431 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.381 -11.657 -0.950 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.544 -10.443 -0.002 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.455 -11.583 -1.411 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.518 -12.958 -1.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.966 -12.742 0.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.553 -12.506 1.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.524 -11.174 0.980 1.00 0.00 H new ATOM 1129 N VAL A 76 11.306 -5.561 -3.210 1.00 0.00 N ATOM 1130 CA VAL A 76 10.380 -4.439 -3.328 1.00 0.00 C ATOM 1131 C VAL A 76 9.236 -4.797 -4.213 1.00 0.00 C ATOM 1132 O VAL A 76 8.473 -3.930 -4.638 1.00 0.00 O ATOM 1133 CB VAL A 76 11.075 -3.219 -3.959 1.00 0.00 C ATOM 1134 CG1 VAL A 76 12.191 -2.721 -3.057 1.00 0.00 C ATOM 1135 CG2 VAL A 76 11.619 -3.651 -5.309 1.00 0.00 C ATOM 0 H VAL A 76 12.069 -5.548 -3.886 1.00 0.00 H new ATOM 0 HA VAL A 76 10.033 -4.203 -2.322 1.00 0.00 H new ATOM 0 HB VAL A 76 10.371 -2.397 -4.085 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.673 -1.858 -3.517 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.777 -2.433 -2.091 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.925 -3.514 -2.915 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.120 -2.808 -5.786 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.331 -4.465 -5.171 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.798 -3.990 -5.941 1.00 0.00 H new ATOM 1145 N GLU A 77 9.146 -6.071 -4.515 1.00 0.00 N ATOM 1146 CA GLU A 77 8.106 -6.549 -5.416 1.00 0.00 C ATOM 1147 C GLU A 77 7.764 -5.376 -6.308 1.00 0.00 C ATOM 1148 O GLU A 77 6.604 -5.068 -6.559 1.00 0.00 O ATOM 1149 CB GLU A 77 6.881 -7.008 -4.624 1.00 0.00 C ATOM 1150 CG GLU A 77 7.024 -6.822 -3.123 1.00 0.00 C ATOM 1151 CD GLU A 77 7.808 -7.941 -2.465 1.00 0.00 C ATOM 1152 OE1 GLU A 77 8.077 -8.955 -3.142 1.00 0.00 O ATOM 1153 OE2 GLU A 77 8.154 -7.802 -1.273 1.00 0.00 O ATOM 0 H GLU A 77 9.770 -6.794 -4.158 1.00 0.00 H new ATOM 0 HA GLU A 77 8.440 -7.407 -6.000 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.007 -6.455 -4.969 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.695 -8.061 -4.835 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.520 -5.872 -2.925 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.033 -6.765 -2.672 1.00 0.00 H new ATOM 1160 N ASN A 78 8.835 -4.676 -6.689 1.00 0.00 N ATOM 1161 CA ASN A 78 8.749 -3.446 -7.447 1.00 0.00 C ATOM 1162 C ASN A 78 7.299 -3.120 -7.713 1.00 0.00 C ATOM 1163 O ASN A 78 6.787 -3.266 -8.823 1.00 0.00 O ATOM 1164 CB ASN A 78 9.560 -3.463 -8.724 1.00 0.00 C ATOM 1165 CG ASN A 78 9.669 -2.051 -9.237 1.00 0.00 C ATOM 1166 OD1 ASN A 78 10.238 -1.184 -8.575 1.00 0.00 O ATOM 1167 ND2 ASN A 78 9.124 -1.812 -10.407 1.00 0.00 N ATOM 0 H ASN A 78 9.791 -4.958 -6.473 1.00 0.00 H new ATOM 0 HA ASN A 78 9.195 -2.658 -6.840 1.00 0.00 H new ATOM 0 HB2 ASN A 78 10.551 -3.877 -8.538 1.00 0.00 H new ATOM 0 HB3 ASN A 78 9.083 -4.101 -9.468 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.663 -2.565 -10.918 1.00 0.00 H new ATOM 1172 N HIS A 79 6.642 -2.733 -6.638 1.00 0.00 N ATOM 1173 CA HIS A 79 5.229 -2.434 -6.647 1.00 0.00 C ATOM 1174 C HIS A 79 4.788 -1.583 -7.814 1.00 0.00 C ATOM 1175 O HIS A 79 5.154 -0.424 -7.957 1.00 0.00 O ATOM 1176 CB HIS A 79 4.820 -1.808 -5.323 1.00 0.00 C ATOM 1177 CG HIS A 79 5.127 -2.724 -4.200 1.00 0.00 C ATOM 1178 ND1 HIS A 79 4.945 -2.430 -2.875 1.00 0.00 N ATOM 1179 CD2 HIS A 79 5.655 -3.961 -4.250 1.00 0.00 C ATOM 1180 CE1 HIS A 79 5.374 -3.482 -2.163 1.00 0.00 C ATOM 1181 NE2 HIS A 79 5.813 -4.445 -2.955 1.00 0.00 N ATOM 0 H HIS A 79 7.081 -2.617 -5.725 1.00 0.00 H new ATOM 0 HA HIS A 79 4.712 -3.385 -6.776 1.00 0.00 H new ATOM 0 HB2 HIS A 79 5.345 -0.863 -5.183 1.00 0.00 H new ATOM 0 HB3 HIS A 79 3.754 -1.582 -5.335 1.00 0.00 H new ATOM 0 HD1 HIS A 79 4.554 -1.567 -2.498 1.00 0.00 H new ATOM 0 HD2 HIS A 79 5.915 -4.494 -5.153 1.00 0.00 H new ATOM 0 HE1 HIS A 79 5.362 -3.536 -1.084 1.00 0.00 H new ATOM 1189 N THR A 80 3.951 -2.184 -8.622 1.00 0.00 N ATOM 1190 CA THR A 80 3.377 -1.506 -9.768 1.00 0.00 C ATOM 1191 C THR A 80 1.997 -1.010 -9.381 1.00 0.00 C ATOM 1192 O THR A 80 1.438 -0.100 -9.994 1.00 0.00 O ATOM 1193 CB THR A 80 3.303 -2.442 -10.963 1.00 0.00 C ATOM 1194 OG1 THR A 80 2.067 -3.133 -10.990 1.00 0.00 O ATOM 1195 CG2 THR A 80 4.411 -3.463 -10.952 1.00 0.00 C ATOM 0 H THR A 80 3.647 -3.151 -8.509 1.00 0.00 H new ATOM 0 HA THR A 80 4.004 -0.663 -10.057 1.00 0.00 H new ATOM 0 HB THR A 80 3.404 -1.814 -11.848 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.823 -3.330 -11.918 1.00 0.00 H new ATOM 0 HG21 THR A 80 4.318 -4.110 -11.824 1.00 0.00 H new ATOM 0 HG22 THR A 80 5.375 -2.954 -10.978 1.00 0.00 H new ATOM 0 HG23 THR A 80 4.343 -4.064 -10.045 1.00 0.00 H new ATOM 1203 N ALA A 81 1.476 -1.621 -8.323 1.00 0.00 N ATOM 1204 CA ALA A 81 0.177 -1.271 -7.776 1.00 0.00 C ATOM 1205 C ALA A 81 0.151 -1.602 -6.289 1.00 0.00 C ATOM 1206 O ALA A 81 1.046 -2.280 -5.789 1.00 0.00 O ATOM 1207 CB ALA A 81 -0.931 -2.005 -8.514 1.00 0.00 C ATOM 0 H ALA A 81 1.946 -2.374 -7.822 1.00 0.00 H new ATOM 0 HA ALA A 81 0.008 -0.202 -7.905 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.896 -1.729 -8.089 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.908 -1.733 -9.569 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.785 -3.080 -8.414 1.00 0.00 H new ATOM 1213 N CYS A 82 -0.862 -1.122 -5.580 1.00 0.00 N ATOM 1214 CA CYS A 82 -0.968 -1.380 -4.149 1.00 0.00 C ATOM 1215 C CYS A 82 -2.415 -1.290 -3.682 1.00 0.00 C ATOM 1216 O CYS A 82 -3.126 -0.342 -4.013 1.00 0.00 O ATOM 1217 CB CYS A 82 -0.097 -0.400 -3.365 1.00 0.00 C ATOM 1218 SG CYS A 82 1.391 -1.168 -2.646 1.00 0.00 S ATOM 0 H CYS A 82 -1.617 -0.556 -5.968 1.00 0.00 H new ATOM 0 HA CYS A 82 -0.613 -2.394 -3.962 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.206 0.413 -4.025 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.691 0.043 -2.565 1.00 0.00 H new ATOM 1223 N HIS A 83 -2.845 -2.282 -2.908 1.00 0.00 N ATOM 1224 CA HIS A 83 -4.208 -2.311 -2.395 1.00 0.00 C ATOM 1225 C HIS A 83 -4.254 -2.913 -0.990 1.00 0.00 C ATOM 1226 O HIS A 83 -4.050 -4.114 -0.813 1.00 0.00 O ATOM 1227 CB HIS A 83 -5.121 -3.097 -3.337 1.00 0.00 C ATOM 1228 CG HIS A 83 -4.658 -4.495 -3.609 1.00 0.00 C ATOM 1229 ND1 HIS A 83 -3.413 -5.012 -3.735 1.00 0.00 N flip ATOM 1230 CD2 HIS A 83 -5.528 -5.551 -3.789 1.00 0.00 C flip ATOM 1231 CE1 HIS A 83 -3.553 -6.356 -3.984 1.00 0.00 C flip ATOM 1232 NE2 HIS A 83 -4.838 -6.655 -4.010 1.00 0.00 N flip ATOM 0 H HIS A 83 -2.269 -3.074 -2.623 1.00 0.00 H new ATOM 0 HA HIS A 83 -4.565 -1.283 -2.338 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -6.123 -3.134 -2.909 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -5.198 -2.561 -4.283 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -6.605 -5.485 -3.754 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.743 -7.054 -4.134 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -5.232 -7.582 -4.173 1.00 0.00 H new ATOM 1241 N CYS A 84 -4.526 -2.071 0.004 1.00 0.00 N ATOM 1242 CA CYS A 84 -4.603 -2.520 1.395 1.00 0.00 C ATOM 1243 C CYS A 84 -6.055 -2.686 1.832 1.00 0.00 C ATOM 1244 O CYS A 84 -6.978 -2.492 1.041 1.00 0.00 O ATOM 1245 CB CYS A 84 -3.904 -1.528 2.329 1.00 0.00 C ATOM 1246 SG CYS A 84 -4.688 0.117 2.385 1.00 0.00 S ATOM 0 H CYS A 84 -4.697 -1.074 -0.126 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.098 -3.484 1.456 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -3.885 -1.945 3.336 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -2.867 -1.414 2.012 1.00 0.00 H new ATOM 1251 N SER A 85 -6.249 -3.034 3.102 1.00 0.00 N ATOM 1252 CA SER A 85 -7.591 -3.213 3.652 1.00 0.00 C ATOM 1253 C SER A 85 -7.616 -2.871 5.143 1.00 0.00 C ATOM 1254 O SER A 85 -8.298 -3.524 5.932 1.00 0.00 O ATOM 1255 CB SER A 85 -8.082 -4.647 3.418 1.00 0.00 C ATOM 1256 OG SER A 85 -8.803 -5.138 4.535 1.00 0.00 O ATOM 0 H SER A 85 -5.495 -3.198 3.769 1.00 0.00 H new ATOM 0 HA SER A 85 -8.266 -2.530 3.135 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.717 -4.675 2.533 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.230 -5.297 3.220 1.00 0.00 H new ATOM 0 HG SER A 85 -9.237 -4.391 4.998 1.00 0.00 H new ATOM 1262 N THR A 86 -6.873 -1.830 5.515 1.00 0.00 N ATOM 1263 CA THR A 86 -6.808 -1.380 6.905 1.00 0.00 C ATOM 1264 C THR A 86 -5.674 -2.064 7.661 1.00 0.00 C ATOM 1265 O THR A 86 -5.909 -2.961 8.470 1.00 0.00 O ATOM 1266 CB THR A 86 -8.137 -1.647 7.615 1.00 0.00 C ATOM 1267 OG1 THR A 86 -9.227 -1.434 6.736 1.00 0.00 O ATOM 1268 CG2 THR A 86 -8.349 -0.774 8.833 1.00 0.00 C ATOM 0 H THR A 86 -6.305 -1.280 4.870 1.00 0.00 H new ATOM 0 HA THR A 86 -6.613 -0.308 6.894 1.00 0.00 H new ATOM 0 HB THR A 86 -8.090 -2.687 7.938 1.00 0.00 H new ATOM 0 HG1 THR A 86 -9.568 -2.298 6.423 1.00 0.00 H new ATOM 0 HG21 THR A 86 -9.309 -1.014 9.290 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.550 -0.953 9.553 1.00 0.00 H new ATOM 0 HG23 THR A 86 -8.340 0.274 8.535 1.00 0.00 H new ATOM 1276 N CYS A 87 -4.443 -1.635 7.398 1.00 0.00 N ATOM 1277 CA CYS A 87 -3.280 -2.212 8.063 1.00 0.00 C ATOM 1278 C CYS A 87 -2.683 -1.239 9.076 1.00 0.00 C ATOM 1279 O CYS A 87 -2.782 -0.022 8.917 1.00 0.00 O ATOM 1280 CB CYS A 87 -2.219 -2.613 7.036 1.00 0.00 C ATOM 1281 SG CYS A 87 -1.540 -4.283 7.298 1.00 0.00 S ATOM 0 H CYS A 87 -4.226 -0.893 6.732 1.00 0.00 H new ATOM 0 HA CYS A 87 -3.612 -3.102 8.598 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -2.654 -2.560 6.038 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -1.404 -1.890 7.068 1.00 0.00 H new ATOM 1286 N TYR A 88 -2.064 -1.788 10.118 1.00 0.00 N ATOM 1287 CA TYR A 88 -1.449 -0.975 11.162 1.00 0.00 C ATOM 1288 C TYR A 88 -0.076 -1.523 11.540 1.00 0.00 C ATOM 1289 O TYR A 88 0.270 -2.654 11.197 1.00 0.00 O ATOM 1290 CB TYR A 88 -2.349 -0.923 12.401 1.00 0.00 C ATOM 1291 CG TYR A 88 -2.252 0.376 13.173 1.00 0.00 C ATOM 1292 CD1 TYR A 88 -2.865 1.532 12.703 1.00 0.00 C ATOM 1293 CD2 TYR A 88 -1.554 0.447 14.373 1.00 0.00 C ATOM 1294 CE1 TYR A 88 -2.782 2.720 13.404 1.00 0.00 C ATOM 1295 CE2 TYR A 88 -1.468 1.631 15.080 1.00 0.00 C ATOM 1296 CZ TYR A 88 -2.084 2.764 14.592 1.00 0.00 C ATOM 1297 OH TYR A 88 -2.001 3.946 15.294 1.00 0.00 O ATOM 0 H TYR A 88 -1.975 -2.794 10.261 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.324 0.035 10.772 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.384 -1.076 12.094 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.088 -1.749 13.063 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -3.415 1.501 11.774 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.071 -0.438 14.759 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.262 3.610 13.023 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.921 1.669 16.010 1.00 0.00 H new ATOM 0 HH TYR A 88 -1.475 3.806 16.109 1.00 0.00 H new ATOM 1307 N TYR A 89 0.702 -0.710 12.246 1.00 0.00 N ATOM 1308 CA TYR A 89 2.041 -1.105 12.673 1.00 0.00 C ATOM 1309 C TYR A 89 2.043 -2.518 13.253 1.00 0.00 C ATOM 1310 O TYR A 89 1.155 -2.881 14.026 1.00 0.00 O ATOM 1311 CB TYR A 89 2.574 -0.116 13.713 1.00 0.00 C ATOM 1312 CG TYR A 89 4.025 0.254 13.510 1.00 0.00 C ATOM 1313 CD1 TYR A 89 5.027 -0.701 13.625 1.00 0.00 C ATOM 1314 CD2 TYR A 89 4.392 1.558 13.203 1.00 0.00 C ATOM 1315 CE1 TYR A 89 6.355 -0.366 13.439 1.00 0.00 C ATOM 1316 CE2 TYR A 89 5.717 1.900 13.016 1.00 0.00 C ATOM 1317 CZ TYR A 89 6.695 0.935 13.135 1.00 0.00 C ATOM 1318 OH TYR A 89 8.016 1.272 12.949 1.00 0.00 O ATOM 0 H TYR A 89 0.428 0.229 12.536 1.00 0.00 H new ATOM 0 HA TYR A 89 2.690 -1.095 11.797 1.00 0.00 H new ATOM 0 HB2 TYR A 89 1.969 0.790 13.683 1.00 0.00 H new ATOM 0 HB3 TYR A 89 2.454 -0.547 14.707 1.00 0.00 H new ATOM 0 HD1 TYR A 89 4.764 -1.721 13.863 1.00 0.00 H new ATOM 0 HD2 TYR A 89 3.629 2.317 13.109 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.123 -1.120 13.531 1.00 0.00 H new ATOM 0 HE2 TYR A 89 5.986 2.918 12.778 1.00 0.00 H new ATOM 0 HH TYR A 89 8.084 2.227 12.740 1.00 0.00 H new ATOM 1328 N HIS A 90 3.048 -3.310 12.884 1.00 0.00 N ATOM 1329 CA HIS A 90 3.164 -4.680 13.379 1.00 0.00 C ATOM 1330 C HIS A 90 4.594 -5.201 13.240 1.00 0.00 C ATOM 1331 O HIS A 90 5.213 -5.603 14.225 1.00 0.00 O ATOM 1332 CB HIS A 90 2.193 -5.608 12.642 1.00 0.00 C ATOM 1333 CG HIS A 90 2.633 -5.968 11.257 1.00 0.00 C ATOM 1334 ND1 HIS A 90 2.632 -5.070 10.211 1.00 0.00 N ATOM 1335 CD2 HIS A 90 3.090 -7.137 10.746 1.00 0.00 C ATOM 1336 CE1 HIS A 90 3.067 -5.670 9.117 1.00 0.00 C ATOM 1337 NE2 HIS A 90 3.352 -6.923 9.416 1.00 0.00 N ATOM 0 H HIS A 90 3.792 -3.027 12.246 1.00 0.00 H new ATOM 0 HA HIS A 90 2.905 -4.669 14.438 1.00 0.00 H new ATOM 0 HB2 HIS A 90 2.068 -6.522 13.222 1.00 0.00 H new ATOM 0 HB3 HIS A 90 1.216 -5.128 12.589 1.00 0.00 H new ATOM 0 HD2 HIS A 90 3.223 -8.064 11.285 1.00 0.00 H new ATOM 0 HE1 HIS A 90 3.171 -5.213 8.144 1.00 0.00 H new ATOM 0 HE2 HIS A 90 3.710 -7.621 8.763 1.00 0.00 H new ATOM 1346 N LYS A 91 5.116 -5.194 12.015 1.00 0.00 N ATOM 1347 CA LYS A 91 6.475 -5.670 11.764 1.00 0.00 C ATOM 1348 C LYS A 91 6.863 -5.498 10.296 1.00 0.00 C ATOM 1349 O LYS A 91 7.831 -6.098 9.828 1.00 0.00 O ATOM 1350 CB LYS A 91 6.604 -7.143 12.165 1.00 0.00 C ATOM 1351 CG LYS A 91 6.337 -8.112 11.022 1.00 0.00 C ATOM 1352 CD LYS A 91 5.991 -9.502 11.531 1.00 0.00 C ATOM 1353 CE LYS A 91 5.750 -10.469 10.382 1.00 0.00 C ATOM 1354 NZ LYS A 91 6.545 -11.718 10.532 1.00 0.00 N ATOM 0 H LYS A 91 4.622 -4.866 11.185 1.00 0.00 H new ATOM 0 HA LYS A 91 7.154 -5.069 12.369 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.608 -7.319 12.552 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.908 -7.352 12.977 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.518 -7.735 10.409 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.216 -8.168 10.380 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.802 -9.874 12.158 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.101 -9.451 12.158 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.690 -10.717 10.333 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.008 -9.985 9.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.353 -12.350 9.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.558 -11.484 10.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.281 -12.193 11.418 1.00 0.00 H new ATOM 1368 N SER A 92 6.106 -4.677 9.574 1.00 0.00 N ATOM 1369 CA SER A 92 6.377 -4.433 8.162 1.00 0.00 C ATOM 1370 C SER A 92 5.877 -3.054 7.745 1.00 0.00 C ATOM 1371 O SER A 92 4.919 -2.558 8.375 1.00 0.00 O ATOM 1372 CB SER A 92 5.718 -5.511 7.301 1.00 0.00 C ATOM 1373 OG SER A 92 6.686 -6.242 6.569 1.00 0.00 O ATOM 1374 OXT SER A 92 6.446 -2.481 6.792 1.00 0.00 O ATOM 0 H SER A 92 5.301 -4.170 9.943 1.00 0.00 H new ATOM 0 HA SER A 92 7.456 -4.469 8.012 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.149 -6.190 7.936 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.010 -5.049 6.613 1.00 0.00 H new ATOM 0 HG SER A 92 6.239 -6.926 6.028 1.00 0.00 H new TER 1380 SER A 92 HETATM 1381 C1 NAG A1052 -20.965 -14.589 9.392 1.00 0.00 C HETATM 1382 C2 NAG A1052 -20.810 -13.992 10.786 1.00 0.00 C HETATM 1383 C3 NAG A1052 -20.398 -15.063 11.778 1.00 0.00 C HETATM 1384 C4 NAG A1052 -21.356 -16.237 11.715 1.00 0.00 C HETATM 1385 C5 NAG A1052 -21.491 -16.741 10.284 1.00 0.00 C HETATM 1386 C6 NAG A1052 -22.531 -17.837 10.154 1.00 0.00 C HETATM 1387 C7 NAG A1052 -20.113 -11.704 11.091 1.00 0.00 C HETATM 1388 C8 NAG A1052 -19.001 -10.668 11.048 1.00 0.00 C HETATM 1389 N2 NAG A1052 -19.799 -12.952 10.759 1.00 0.00 N HETATM 1390 O3 NAG A1052 -20.414 -14.516 13.089 1.00 0.00 O HETATM 1391 O4 NAG A1052 -20.861 -17.286 12.534 1.00 0.00 O HETATM 1392 O5 NAG A1052 -21.896 -15.680 9.400 1.00 0.00 O HETATM 1393 O6 NAG A1052 -23.821 -17.372 10.524 1.00 0.00 O HETATM 1394 O7 NAG A1052 -21.250 -11.370 11.426 1.00 0.00 O HETATM 0 HO6 NAG A1052 -23.894 -16.415 10.324 1.00 0.00 H new HETATM 0 HO4 NAG A1052 -21.592 -17.899 12.759 1.00 0.00 H new HETATM 0 HO3 NAG A1052 -20.150 -15.205 13.734 1.00 0.00 H new HETATM 0 HN2 NAG A1052 -18.843 -13.179 10.484 1.00 0.00 H new HETATM 0 H83 NAG A1052 -18.206 -10.958 11.735 1.00 0.00 H new HETATM 0 H82 NAG A1052 -18.601 -10.606 10.036 1.00 0.00 H new HETATM 0 H81 NAG A1052 -19.398 -9.696 11.342 1.00 0.00 H new HETATM 0 H62 NAG A1052 -22.554 -18.199 9.126 1.00 0.00 H new HETATM 0 H61 NAG A1052 -22.252 -18.682 10.784 1.00 0.00 H new HETATM 0 H5 NAG A1052 -20.508 -17.128 10.016 1.00 0.00 H new HETATM 0 H4 NAG A1052 -22.335 -15.912 12.068 1.00 0.00 H new HETATM 0 H3 NAG A1052 -19.395 -15.411 11.529 1.00 0.00 H new HETATM 0 H2 NAG A1052 -21.767 -13.572 11.094 1.00 0.00 H new HETATM 1404 C1 NAG A1078 9.041 -0.461 -10.896 1.00 0.00 C HETATM 1405 C2 NAG A1078 9.816 -0.338 -12.200 1.00 0.00 C HETATM 1406 C3 NAG A1078 9.626 1.044 -12.805 1.00 0.00 C HETATM 1407 C4 NAG A1078 8.151 1.386 -12.898 1.00 0.00 C HETATM 1408 C5 NAG A1078 7.477 1.206 -11.547 1.00 0.00 C HETATM 1409 C6 NAG A1078 5.981 1.451 -11.593 1.00 0.00 C HETATM 1410 C7 NAG A1078 11.883 -1.543 -12.490 1.00 0.00 C HETATM 1411 C8 NAG A1078 13.346 -1.698 -12.111 1.00 0.00 C HETATM 1412 N2 NAG A1078 11.221 -0.545 -11.921 1.00 0.00 N HETATM 1413 O3 NAG A1078 10.192 1.064 -14.107 1.00 0.00 O HETATM 1414 O4 NAG A1078 8.008 2.736 -13.316 1.00 0.00 O HETATM 1415 O5 NAG A1078 7.660 -0.127 -11.073 1.00 0.00 O HETATM 1416 O6 NAG A1078 5.383 1.237 -10.323 1.00 0.00 O HETATM 1417 O7 NAG A1078 11.368 -2.320 -13.294 1.00 0.00 O HETATM 0 HO6 NAG A1078 5.832 0.492 -9.871 1.00 0.00 H new HETATM 0 HO4 NAG A1078 7.109 2.871 -13.683 1.00 0.00 H new HETATM 0 HO3 NAG A1078 10.071 1.952 -14.503 1.00 0.00 H new HETATM 0 HN2 NAG A1078 11.707 0.083 -11.280 1.00 0.00 H new HETATM 0 H83 NAG A1078 13.890 -0.792 -12.380 1.00 0.00 H new HETATM 0 H82 NAG A1078 13.428 -1.864 -11.037 1.00 0.00 H new HETATM 0 H81 NAG A1078 13.772 -2.549 -12.643 1.00 0.00 H new HETATM 0 H62 NAG A1078 5.788 2.472 -11.921 1.00 0.00 H new HETATM 0 H61 NAG A1078 5.524 0.789 -12.328 1.00 0.00 H new HETATM 0 H5 NAG A1078 7.942 1.940 -10.889 1.00 0.00 H new HETATM 0 H4 NAG A1078 7.680 0.719 -13.619 1.00 0.00 H new HETATM 0 H3 NAG A1078 10.119 1.779 -12.168 1.00 0.00 H new HETATM 0 H2 NAG A1078 9.450 -1.082 -12.908 1.00 0.00 H new