USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 677 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 69 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 75 LYS NZ :NH3+ -178:sc= 0.131 (180deg=0.13) USER MOD Set 2.1: A 66 ASN : amide:sc= -5.65! C(o=-46!,f=-48!) USER MOD Set 2.2: A 78 ASN : amide:sc= -40.8! C(o=-46!,f=-60!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.655 K(o=-0.65,f=0.22!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.105! USER MOD Single : A 13 GLN : amide:sc= -0.296 K(o=-0.3,f=-2.2!) USER MOD Single : A 15 ASN : amide:sc= -12.1! C(o=-12!,f=-17!) USER MOD Single : A 19 SER OG : rot 47:sc= 0.0297 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= 0.116 X(o=0.12,f=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0118 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 52:sc= -0.178 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -2.76 K(o=-2.8,f=-3.5!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.923 K(o=-0.92,f=-0.034) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0315 USER MOD Single : A 55 SER OG : rot -61:sc= 0.991 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0471 USER MOD Single : A 63 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.129) USER MOD Single : A 64 SER OG : rot 180:sc=-0.00488 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 176:sc= -2.68! (180deg=-2.91!) USER MOD Single : A 79 HIS : no HE2:sc= -18.6! C(o=-19!,f=-19!) USER MOD Single : A 80 THR OG1 : rot -49:sc= -0.644! USER MOD Single : A 83 HIS : no HE2:sc= -3.24! K(o=-3.2!,f=-1.7) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 150:sc= 0.00279 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= -1.83 K(o=-1.8,f=-3.6!) 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 ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.326 17.374 12.132 1.00 0.00 N ATOM 2 CA ALA A 1 -13.027 18.040 11.854 1.00 0.00 C ATOM 3 C ALA A 1 -12.399 17.503 10.571 1.00 0.00 C ATOM 4 O ALA A 1 -12.131 16.307 10.454 1.00 0.00 O ATOM 5 CB ALA A 1 -12.077 17.846 13.026 1.00 0.00 C ATOM 0 H1 ALA A 1 -14.732 17.757 13.010 1.00 0.00 H new ATOM 0 H2 ALA A 1 -14.981 17.548 11.343 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.176 16.350 12.238 1.00 0.00 H new ATOM 0 HA ALA A 1 -13.213 19.106 11.720 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -11.129 18.338 12.811 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -12.515 18.279 13.925 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.906 16.781 13.183 1.00 0.00 H new ATOM 13 N PRO A 2 -12.156 18.384 9.588 1.00 0.00 N ATOM 14 CA PRO A 2 -11.557 17.997 8.306 1.00 0.00 C ATOM 15 C PRO A 2 -10.182 17.356 8.478 1.00 0.00 C ATOM 16 O PRO A 2 -9.308 17.914 9.138 1.00 0.00 O ATOM 17 CB PRO A 2 -11.437 19.324 7.545 1.00 0.00 C ATOM 18 CG PRO A 2 -12.410 20.239 8.206 1.00 0.00 C ATOM 19 CD PRO A 2 -12.447 19.826 9.649 1.00 0.00 C ATOM 0 HA PRO A 2 -12.159 17.250 7.789 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -10.423 19.720 7.600 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -11.672 19.195 6.488 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -12.099 21.279 8.105 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -13.397 20.156 7.750 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -11.706 20.363 10.242 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -13.419 20.023 10.100 1.00 0.00 H new ATOM 27 N ASP A 3 -10.005 16.180 7.877 1.00 0.00 N ATOM 28 CA ASP A 3 -8.743 15.442 7.950 1.00 0.00 C ATOM 29 C ASP A 3 -7.596 16.324 8.443 1.00 0.00 C ATOM 30 O ASP A 3 -6.974 17.043 7.661 1.00 0.00 O ATOM 31 CB ASP A 3 -8.398 14.864 6.576 1.00 0.00 C ATOM 32 CG ASP A 3 -7.035 14.200 6.547 1.00 0.00 C ATOM 33 OD1 ASP A 3 -6.444 14.009 7.630 1.00 0.00 O ATOM 34 OD2 ASP A 3 -6.561 13.870 5.440 1.00 0.00 O ATOM 0 H ASP A 3 -10.727 15.713 7.329 1.00 0.00 H new ATOM 0 HA ASP A 3 -8.874 14.633 8.669 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -9.158 14.137 6.291 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.425 15.661 5.833 1.00 0.00 H new ATOM 39 N VAL A 4 -7.320 16.258 9.745 1.00 0.00 N ATOM 40 CA VAL A 4 -6.244 17.045 10.341 1.00 0.00 C ATOM 41 C VAL A 4 -5.087 16.150 10.770 1.00 0.00 C ATOM 42 O VAL A 4 -5.089 15.603 11.872 1.00 0.00 O ATOM 43 CB VAL A 4 -6.735 17.848 11.564 1.00 0.00 C ATOM 44 CG1 VAL A 4 -5.557 18.363 12.382 1.00 0.00 C ATOM 45 CG2 VAL A 4 -7.621 19.001 11.124 1.00 0.00 C ATOM 0 H VAL A 4 -7.826 15.668 10.405 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.903 17.742 9.575 1.00 0.00 H new ATOM 0 HB VAL A 4 -7.323 17.181 12.195 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -5.927 18.926 13.239 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -4.961 17.520 12.732 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -4.939 19.012 11.761 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -7.958 19.556 12.000 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -7.056 19.665 10.469 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -8.486 18.611 10.587 1.00 0.00 H new ATOM 55 N GLN A 5 -4.098 16.009 9.896 1.00 0.00 N ATOM 56 CA GLN A 5 -2.932 15.185 10.190 1.00 0.00 C ATOM 57 C GLN A 5 -1.889 15.308 9.086 1.00 0.00 C ATOM 58 O GLN A 5 -2.120 14.892 7.950 1.00 0.00 O ATOM 59 CB GLN A 5 -3.332 13.716 10.367 1.00 0.00 C ATOM 60 CG GLN A 5 -4.686 13.361 9.767 1.00 0.00 C ATOM 61 CD GLN A 5 -5.602 12.675 10.762 1.00 0.00 C ATOM 62 OE1 GLN A 5 -6.189 13.322 11.629 1.00 0.00 O ATOM 63 NE2 GLN A 5 -5.730 11.358 10.642 1.00 0.00 N ATOM 0 H GLN A 5 -4.080 16.454 8.978 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.499 15.545 11.123 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.569 13.086 9.911 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.346 13.481 11.431 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.167 14.268 9.402 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.538 12.710 8.906 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.225 10.861 9.908 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.334 10.844 11.284 1.00 0.00 H new ATOM 72 N ASP A 6 -0.738 15.879 9.426 1.00 0.00 N ATOM 73 CA ASP A 6 0.340 16.052 8.462 1.00 0.00 C ATOM 74 C ASP A 6 1.010 14.717 8.161 1.00 0.00 C ATOM 75 O ASP A 6 2.076 14.409 8.695 1.00 0.00 O ATOM 76 CB ASP A 6 1.372 17.052 8.986 1.00 0.00 C ATOM 77 CG ASP A 6 2.713 16.919 8.291 1.00 0.00 C ATOM 78 OD1 ASP A 6 2.726 16.749 7.054 1.00 0.00 O ATOM 79 OD2 ASP A 6 3.750 16.984 8.984 1.00 0.00 O ATOM 0 H ASP A 6 -0.529 16.229 10.361 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.088 16.442 7.539 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.994 18.065 8.849 1.00 0.00 H new ATOM 0 HB3 ASP A 6 1.505 16.904 10.058 1.00 0.00 H new ATOM 84 N CYS A 7 0.375 13.928 7.302 1.00 0.00 N ATOM 85 CA CYS A 7 0.904 12.625 6.925 1.00 0.00 C ATOM 86 C CYS A 7 1.463 12.662 5.507 1.00 0.00 C ATOM 87 O CYS A 7 0.712 12.726 4.534 1.00 0.00 O ATOM 88 CB CYS A 7 -0.189 11.559 7.032 1.00 0.00 C ATOM 89 SG CYS A 7 0.373 9.985 7.758 1.00 0.00 S ATOM 0 H CYS A 7 -0.509 14.170 6.853 1.00 0.00 H new ATOM 0 HA CYS A 7 1.713 12.371 7.610 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.007 11.953 7.635 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -0.590 11.365 6.037 1.00 0.00 H new ATOM 94 N PRO A 8 2.797 12.627 5.376 1.00 0.00 N ATOM 95 CA PRO A 8 3.468 12.662 4.084 1.00 0.00 C ATOM 96 C PRO A 8 2.696 11.908 3.007 1.00 0.00 C ATOM 97 O PRO A 8 2.029 10.913 3.289 1.00 0.00 O ATOM 98 CB PRO A 8 4.801 11.969 4.361 1.00 0.00 C ATOM 99 CG PRO A 8 5.040 12.090 5.837 1.00 0.00 C ATOM 100 CD PRO A 8 3.756 12.558 6.484 1.00 0.00 C ATOM 0 HA PRO A 8 3.567 13.679 3.705 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.766 10.923 4.057 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.607 12.438 3.797 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.348 11.131 6.253 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.846 12.797 6.035 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.423 11.864 7.256 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.882 13.529 6.962 1.00 0.00 H new ATOM 108 N GLU A 9 2.801 12.384 1.771 1.00 0.00 N ATOM 109 CA GLU A 9 2.125 11.757 0.649 1.00 0.00 C ATOM 110 C GLU A 9 2.528 10.292 0.534 1.00 0.00 C ATOM 111 O GLU A 9 3.637 9.907 0.907 1.00 0.00 O ATOM 112 CB GLU A 9 2.452 12.501 -0.647 1.00 0.00 C ATOM 113 CG GLU A 9 1.390 12.347 -1.722 1.00 0.00 C ATOM 114 CD GLU A 9 1.823 11.414 -2.835 1.00 0.00 C ATOM 115 OE1 GLU A 9 1.720 10.184 -2.651 1.00 0.00 O ATOM 116 OE2 GLU A 9 2.265 11.914 -3.891 1.00 0.00 O ATOM 0 H GLU A 9 3.351 13.206 1.524 1.00 0.00 H new ATOM 0 HA GLU A 9 1.050 11.806 0.820 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.581 13.560 -0.425 1.00 0.00 H new ATOM 0 HB3 GLU A 9 3.404 12.138 -1.034 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.473 11.968 -1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.158 13.326 -2.142 1.00 0.00 H new ATOM 123 N CYS A 10 1.610 9.484 0.030 1.00 0.00 N ATOM 124 CA CYS A 10 1.840 8.048 -0.128 1.00 0.00 C ATOM 125 C CYS A 10 2.434 7.719 -1.497 1.00 0.00 C ATOM 126 O CYS A 10 1.793 7.921 -2.527 1.00 0.00 O ATOM 127 CB CYS A 10 0.527 7.286 0.059 1.00 0.00 C ATOM 128 SG CYS A 10 0.737 5.560 0.598 1.00 0.00 S ATOM 0 H CYS A 10 0.690 9.796 -0.280 1.00 0.00 H new ATOM 0 HA CYS A 10 2.557 7.741 0.633 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.084 7.812 0.792 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.024 7.297 -0.882 1.00 0.00 H new ATOM 133 N THR A 11 3.657 7.196 -1.499 1.00 0.00 N ATOM 134 CA THR A 11 4.327 6.827 -2.739 1.00 0.00 C ATOM 135 C THR A 11 5.631 6.111 -2.446 1.00 0.00 C ATOM 136 O THR A 11 5.925 5.782 -1.300 1.00 0.00 O ATOM 137 CB THR A 11 4.600 8.062 -3.596 1.00 0.00 C ATOM 138 OG1 THR A 11 5.240 7.698 -4.807 1.00 0.00 O ATOM 139 CG2 THR A 11 5.474 9.086 -2.905 1.00 0.00 C ATOM 0 H THR A 11 4.203 7.019 -0.656 1.00 0.00 H new ATOM 0 HA THR A 11 3.668 6.156 -3.290 1.00 0.00 H new ATOM 0 HB THR A 11 3.623 8.508 -3.783 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.405 8.501 -5.344 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.629 9.938 -3.567 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.987 9.422 -1.990 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.436 8.637 -2.660 1.00 0.00 H new ATOM 147 N LEU A 12 6.412 5.874 -3.486 1.00 0.00 N ATOM 148 CA LEU A 12 7.686 5.198 -3.330 1.00 0.00 C ATOM 149 C LEU A 12 8.789 6.184 -3.038 1.00 0.00 C ATOM 150 O LEU A 12 8.894 7.230 -3.678 1.00 0.00 O ATOM 151 CB LEU A 12 8.025 4.409 -4.580 1.00 0.00 C ATOM 152 CG LEU A 12 7.187 3.160 -4.774 1.00 0.00 C ATOM 153 CD1 LEU A 12 5.743 3.452 -4.416 1.00 0.00 C ATOM 154 CD2 LEU A 12 7.310 2.672 -6.208 1.00 0.00 C ATOM 0 H LEU A 12 6.186 6.139 -4.445 1.00 0.00 H new ATOM 0 HA LEU A 12 7.598 4.513 -2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.900 5.055 -5.449 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.077 4.125 -4.543 1.00 0.00 H new ATOM 0 HG LEU A 12 7.549 2.370 -4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.144 2.552 -4.557 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.683 3.769 -3.375 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.362 4.246 -5.059 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.706 1.775 -6.340 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.960 3.449 -6.888 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.353 2.442 -6.426 1.00 0.00 H new ATOM 166 N GLN A 13 9.615 5.842 -2.071 1.00 0.00 N ATOM 167 CA GLN A 13 10.719 6.702 -1.701 1.00 0.00 C ATOM 168 C GLN A 13 12.014 6.163 -2.233 1.00 0.00 C ATOM 169 O GLN A 13 12.991 5.989 -1.506 1.00 0.00 O ATOM 170 CB GLN A 13 10.800 6.867 -0.212 1.00 0.00 C ATOM 171 CG GLN A 13 9.943 8.009 0.283 1.00 0.00 C ATOM 172 CD GLN A 13 10.694 8.966 1.186 1.00 0.00 C ATOM 173 OE1 GLN A 13 11.794 8.668 1.650 1.00 0.00 O ATOM 174 NE2 GLN A 13 10.101 10.127 1.436 1.00 0.00 N ATOM 0 H GLN A 13 9.544 4.980 -1.530 1.00 0.00 H new ATOM 0 HA GLN A 13 10.540 7.681 -2.145 1.00 0.00 H new ATOM 0 HB2 GLN A 13 10.485 5.942 0.272 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.837 7.041 0.077 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.550 8.558 -0.573 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.087 7.605 0.823 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.188 10.331 1.029 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.558 10.815 2.035 1.00 0.00 H new ATOM 183 N GLU A 14 11.974 5.892 -3.512 1.00 0.00 N ATOM 184 CA GLU A 14 13.109 5.344 -4.240 1.00 0.00 C ATOM 185 C GLU A 14 14.278 5.113 -3.319 1.00 0.00 C ATOM 186 O GLU A 14 14.801 6.031 -2.687 1.00 0.00 O ATOM 187 CB GLU A 14 13.535 6.238 -5.388 1.00 0.00 C ATOM 188 CG GLU A 14 14.635 5.628 -6.244 1.00 0.00 C ATOM 189 CD GLU A 14 15.252 6.634 -7.198 1.00 0.00 C ATOM 190 OE1 GLU A 14 14.525 7.539 -7.660 1.00 0.00 O ATOM 191 OE2 GLU A 14 16.462 6.515 -7.485 1.00 0.00 O ATOM 0 H GLU A 14 11.148 6.044 -4.091 1.00 0.00 H new ATOM 0 HA GLU A 14 12.784 4.390 -4.656 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.670 6.450 -6.016 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.880 7.192 -4.989 1.00 0.00 H new ATOM 0 HG2 GLU A 14 15.412 5.222 -5.597 1.00 0.00 H new ATOM 0 HG3 GLU A 14 14.227 4.794 -6.814 1.00 0.00 H new ATOM 198 N ASN A 15 14.656 3.870 -3.244 1.00 0.00 N ATOM 199 CA ASN A 15 15.740 3.448 -2.392 1.00 0.00 C ATOM 200 C ASN A 15 17.054 4.130 -2.735 1.00 0.00 C ATOM 201 O ASN A 15 17.704 3.791 -3.723 1.00 0.00 O ATOM 202 CB ASN A 15 15.899 1.943 -2.453 1.00 0.00 C ATOM 203 CG ASN A 15 16.013 1.337 -1.076 1.00 0.00 C ATOM 204 OD1 ASN A 15 17.109 1.170 -0.543 1.00 0.00 O ATOM 205 ND2 ASN A 15 14.874 1.009 -0.493 1.00 0.00 N ATOM 0 H ASN A 15 14.222 3.114 -3.773 1.00 0.00 H new ATOM 0 HA ASN A 15 15.482 3.747 -1.376 1.00 0.00 H new ATOM 0 HB2 ASN A 15 15.045 1.508 -2.972 1.00 0.00 H new ATOM 0 HB3 ASN A 15 16.787 1.694 -3.035 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.879 0.598 0.440 1.00 0.00 H new ATOM 0 HD22 ASN A 15 13.990 1.167 -0.976 1.00 0.00 H new ATOM 212 N PRO A 16 17.491 5.068 -1.881 1.00 0.00 N ATOM 213 CA PRO A 16 18.757 5.757 -2.047 1.00 0.00 C ATOM 214 C PRO A 16 19.864 4.900 -1.456 1.00 0.00 C ATOM 215 O PRO A 16 20.898 5.392 -1.007 1.00 0.00 O ATOM 216 CB PRO A 16 18.580 7.054 -1.245 1.00 0.00 C ATOM 217 CG PRO A 16 17.307 6.902 -0.460 1.00 0.00 C ATOM 218 CD PRO A 16 16.818 5.489 -0.652 1.00 0.00 C ATOM 0 HA PRO A 16 19.020 5.954 -3.086 1.00 0.00 H new ATOM 0 HB2 PRO A 16 19.428 7.217 -0.580 1.00 0.00 H new ATOM 0 HB3 PRO A 16 18.525 7.916 -1.910 1.00 0.00 H new ATOM 0 HG2 PRO A 16 17.482 7.106 0.596 1.00 0.00 H new ATOM 0 HG3 PRO A 16 16.558 7.616 -0.803 1.00 0.00 H new ATOM 0 HD2 PRO A 16 17.084 4.852 0.192 1.00 0.00 H new ATOM 0 HD3 PRO A 16 15.733 5.448 -0.752 1.00 0.00 H new ATOM 226 N PHE A 17 19.592 3.599 -1.444 1.00 0.00 N ATOM 227 CA PHE A 17 20.493 2.603 -0.896 1.00 0.00 C ATOM 228 C PHE A 17 20.809 1.541 -1.938 1.00 0.00 C ATOM 229 O PHE A 17 21.962 1.338 -2.318 1.00 0.00 O ATOM 230 CB PHE A 17 19.818 1.942 0.307 1.00 0.00 C ATOM 231 CG PHE A 17 20.769 1.238 1.222 1.00 0.00 C ATOM 232 CD1 PHE A 17 21.576 0.218 0.750 1.00 0.00 C ATOM 233 CD2 PHE A 17 20.855 1.600 2.553 1.00 0.00 C ATOM 234 CE1 PHE A 17 22.456 -0.431 1.595 1.00 0.00 C ATOM 235 CE2 PHE A 17 21.732 0.957 3.405 1.00 0.00 C ATOM 236 CZ PHE A 17 22.534 -0.060 2.925 1.00 0.00 C ATOM 0 H PHE A 17 18.729 3.207 -1.820 1.00 0.00 H new ATOM 0 HA PHE A 17 21.423 3.086 -0.595 1.00 0.00 H new ATOM 0 HB2 PHE A 17 19.280 2.702 0.873 1.00 0.00 H new ATOM 0 HB3 PHE A 17 19.077 1.227 -0.051 1.00 0.00 H new ATOM 0 HD1 PHE A 17 21.518 -0.074 -0.288 1.00 0.00 H new ATOM 0 HD2 PHE A 17 20.229 2.395 2.931 1.00 0.00 H new ATOM 0 HE1 PHE A 17 23.082 -1.226 1.218 1.00 0.00 H new ATOM 0 HE2 PHE A 17 21.790 1.249 4.443 1.00 0.00 H new ATOM 0 HZ PHE A 17 23.221 -0.565 3.588 1.00 0.00 H new ATOM 246 N PHE A 18 19.760 0.864 -2.382 1.00 0.00 N ATOM 247 CA PHE A 18 19.874 -0.194 -3.373 1.00 0.00 C ATOM 248 C PHE A 18 20.079 0.383 -4.769 1.00 0.00 C ATOM 249 O PHE A 18 20.258 -0.355 -5.740 1.00 0.00 O ATOM 250 CB PHE A 18 18.613 -1.052 -3.328 1.00 0.00 C ATOM 251 CG PHE A 18 18.239 -1.460 -1.933 1.00 0.00 C ATOM 252 CD1 PHE A 18 19.167 -2.080 -1.124 1.00 0.00 C ATOM 253 CD2 PHE A 18 16.971 -1.214 -1.429 1.00 0.00 C ATOM 254 CE1 PHE A 18 18.846 -2.455 0.166 1.00 0.00 C ATOM 255 CE2 PHE A 18 16.642 -1.587 -0.140 1.00 0.00 C ATOM 256 CZ PHE A 18 17.581 -2.210 0.659 1.00 0.00 C ATOM 0 H PHE A 18 18.806 1.033 -2.065 1.00 0.00 H new ATOM 0 HA PHE A 18 20.744 -0.808 -3.142 1.00 0.00 H new ATOM 0 HB2 PHE A 18 17.786 -0.499 -3.774 1.00 0.00 H new ATOM 0 HB3 PHE A 18 18.764 -1.945 -3.935 1.00 0.00 H new ATOM 0 HD1 PHE A 18 20.159 -2.275 -1.504 1.00 0.00 H new ATOM 0 HD2 PHE A 18 16.234 -0.726 -2.050 1.00 0.00 H new ATOM 0 HE1 PHE A 18 19.584 -2.939 0.788 1.00 0.00 H new ATOM 0 HE2 PHE A 18 15.651 -1.392 0.243 1.00 0.00 H new ATOM 0 HZ PHE A 18 17.326 -2.504 1.666 1.00 0.00 H new ATOM 266 N SER A 19 20.055 1.708 -4.861 1.00 0.00 N ATOM 267 CA SER A 19 20.243 2.392 -6.132 1.00 0.00 C ATOM 268 C SER A 19 21.275 1.662 -6.984 1.00 0.00 C ATOM 269 O SER A 19 22.470 1.682 -6.686 1.00 0.00 O ATOM 270 CB SER A 19 20.681 3.837 -5.891 1.00 0.00 C ATOM 271 OG SER A 19 21.636 3.913 -4.847 1.00 0.00 O ATOM 0 H SER A 19 19.907 2.330 -4.067 1.00 0.00 H new ATOM 0 HA SER A 19 19.294 2.396 -6.669 1.00 0.00 H new ATOM 0 HB2 SER A 19 21.105 4.249 -6.807 1.00 0.00 H new ATOM 0 HB3 SER A 19 19.813 4.446 -5.639 1.00 0.00 H new ATOM 0 HG SER A 19 22.322 3.226 -4.981 1.00 0.00 H new ATOM 277 N GLN A 20 20.803 1.012 -8.040 1.00 0.00 N ATOM 278 CA GLN A 20 21.679 0.264 -8.934 1.00 0.00 C ATOM 279 C GLN A 20 21.973 1.058 -10.199 1.00 0.00 C ATOM 280 O GLN A 20 21.385 2.114 -10.433 1.00 0.00 O ATOM 281 CB GLN A 20 21.036 -1.075 -9.304 1.00 0.00 C ATOM 282 CG GLN A 20 21.698 -2.278 -8.651 1.00 0.00 C ATOM 283 CD GLN A 20 21.005 -3.582 -8.998 1.00 0.00 C ATOM 284 OE1 GLN A 20 20.953 -3.980 -10.162 1.00 0.00 O ATOM 285 NE2 GLN A 20 20.466 -4.256 -7.988 1.00 0.00 N ATOM 0 H GLN A 20 19.817 0.987 -8.299 1.00 0.00 H new ATOM 0 HA GLN A 20 22.619 0.082 -8.412 1.00 0.00 H new ATOM 0 HB2 GLN A 20 19.984 -1.053 -9.019 1.00 0.00 H new ATOM 0 HB3 GLN A 20 21.071 -1.197 -10.387 1.00 0.00 H new ATOM 0 HG2 GLN A 20 22.741 -2.330 -8.965 1.00 0.00 H new ATOM 0 HG3 GLN A 20 21.697 -2.146 -7.569 1.00 0.00 H new ATOM 0 HE21 GLN A 20 20.532 -3.890 -7.038 1.00 0.00 H new ATOM 0 HE22 GLN A 20 19.986 -5.139 -8.162 1.00 0.00 H new ATOM 294 N PRO A 21 22.879 0.547 -11.044 1.00 0.00 N ATOM 295 CA PRO A 21 23.238 1.202 -12.302 1.00 0.00 C ATOM 296 C PRO A 21 22.094 1.136 -13.302 1.00 0.00 C ATOM 297 O PRO A 21 22.210 0.510 -14.356 1.00 0.00 O ATOM 298 CB PRO A 21 24.433 0.390 -12.800 1.00 0.00 C ATOM 299 CG PRO A 21 24.258 -0.955 -12.183 1.00 0.00 C ATOM 300 CD PRO A 21 23.609 -0.717 -10.847 1.00 0.00 C ATOM 0 HA PRO A 21 23.461 2.261 -12.174 1.00 0.00 H new ATOM 0 HB2 PRO A 21 24.444 0.328 -13.888 1.00 0.00 H new ATOM 0 HB3 PRO A 21 25.376 0.846 -12.497 1.00 0.00 H new ATOM 0 HG2 PRO A 21 23.637 -1.594 -12.810 1.00 0.00 H new ATOM 0 HG3 PRO A 21 25.218 -1.459 -12.066 1.00 0.00 H new ATOM 0 HD2 PRO A 21 22.937 -1.531 -10.576 1.00 0.00 H new ATOM 0 HD3 PRO A 21 24.348 -0.635 -10.050 1.00 0.00 H new ATOM 308 N GLY A 22 20.984 1.771 -12.954 1.00 0.00 N ATOM 309 CA GLY A 22 19.822 1.762 -13.818 1.00 0.00 C ATOM 310 C GLY A 22 18.605 1.213 -13.120 1.00 0.00 C ATOM 311 O GLY A 22 17.603 0.891 -13.759 1.00 0.00 O ATOM 0 H GLY A 22 20.868 2.294 -12.086 1.00 0.00 H new ATOM 0 HA2 GLY A 22 19.617 2.776 -14.161 1.00 0.00 H new ATOM 0 HA3 GLY A 22 20.033 1.163 -14.704 1.00 0.00 H new ATOM 315 N ALA A 23 18.691 1.099 -11.802 1.00 0.00 N ATOM 316 CA ALA A 23 17.592 0.581 -11.018 1.00 0.00 C ATOM 317 C ALA A 23 17.538 1.253 -9.667 1.00 0.00 C ATOM 318 O ALA A 23 18.385 1.043 -8.799 1.00 0.00 O ATOM 319 CB ALA A 23 17.714 -0.923 -10.892 1.00 0.00 C ATOM 0 H ALA A 23 19.513 1.360 -11.258 1.00 0.00 H new ATOM 0 HA ALA A 23 16.653 0.803 -11.526 1.00 0.00 H new ATOM 0 HB1 ALA A 23 16.883 -1.307 -10.300 1.00 0.00 H new ATOM 0 HB2 ALA A 23 17.692 -1.374 -11.884 1.00 0.00 H new ATOM 0 HB3 ALA A 23 18.655 -1.172 -10.401 1.00 0.00 H new ATOM 325 N PRO A 24 16.534 2.106 -9.510 1.00 0.00 N ATOM 326 CA PRO A 24 16.307 2.886 -8.317 1.00 0.00 C ATOM 327 C PRO A 24 15.267 2.280 -7.396 1.00 0.00 C ATOM 328 O PRO A 24 14.101 2.671 -7.410 1.00 0.00 O ATOM 329 CB PRO A 24 15.810 4.195 -8.922 1.00 0.00 C ATOM 330 CG PRO A 24 15.101 3.808 -10.188 1.00 0.00 C ATOM 331 CD PRO A 24 15.530 2.409 -10.531 1.00 0.00 C ATOM 0 HA PRO A 24 17.189 2.971 -7.682 1.00 0.00 H new ATOM 0 HB2 PRO A 24 15.138 4.713 -8.238 1.00 0.00 H new ATOM 0 HB3 PRO A 24 16.639 4.872 -9.128 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.020 3.856 -10.053 1.00 0.00 H new ATOM 0 HG3 PRO A 24 15.353 4.496 -10.995 1.00 0.00 H new ATOM 0 HD2 PRO A 24 14.694 1.711 -10.493 1.00 0.00 H new ATOM 0 HD3 PRO A 24 15.948 2.351 -11.536 1.00 0.00 H new ATOM 339 N ILE A 25 15.710 1.326 -6.595 1.00 0.00 N ATOM 340 CA ILE A 25 14.856 0.652 -5.652 1.00 0.00 C ATOM 341 C ILE A 25 13.903 1.603 -4.954 1.00 0.00 C ATOM 342 O ILE A 25 13.890 2.798 -5.239 1.00 0.00 O ATOM 343 CB ILE A 25 15.696 -0.087 -4.623 1.00 0.00 C ATOM 344 CG1 ILE A 25 16.484 -1.168 -5.327 1.00 0.00 C ATOM 345 CG2 ILE A 25 14.780 -0.694 -3.595 1.00 0.00 C ATOM 346 CD1 ILE A 25 15.695 -1.774 -6.452 1.00 0.00 C ATOM 0 H ILE A 25 16.677 1.001 -6.586 1.00 0.00 H new ATOM 0 HA ILE A 25 14.252 -0.059 -6.215 1.00 0.00 H new ATOM 0 HB ILE A 25 16.387 0.595 -4.127 1.00 0.00 H new ATOM 0 HG12 ILE A 25 17.413 -0.750 -5.715 1.00 0.00 H new ATOM 0 HG13 ILE A 25 16.758 -1.944 -4.613 1.00 0.00 H new ATOM 0 HG21 ILE A 25 15.371 -1.227 -2.851 1.00 0.00 H new ATOM 0 HG22 ILE A 25 14.208 0.095 -3.107 1.00 0.00 H new ATOM 0 HG23 ILE A 25 14.097 -1.390 -4.082 1.00 0.00 H new ATOM 0 HD11 ILE A 25 16.289 -2.548 -6.938 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.779 -2.214 -6.058 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.443 -1.001 -7.178 1.00 0.00 H new ATOM 358 N LEU A 26 13.054 1.057 -4.079 1.00 0.00 N ATOM 359 CA LEU A 26 12.054 1.864 -3.412 1.00 0.00 C ATOM 360 C LEU A 26 11.595 1.318 -2.089 1.00 0.00 C ATOM 361 O LEU A 26 12.224 0.464 -1.464 1.00 0.00 O ATOM 362 CB LEU A 26 10.860 1.930 -4.319 1.00 0.00 C ATOM 363 CG LEU A 26 11.229 1.643 -5.748 1.00 0.00 C ATOM 364 CD1 LEU A 26 10.146 0.859 -6.446 1.00 0.00 C ATOM 365 CD2 LEU A 26 11.542 2.921 -6.503 1.00 0.00 C ATOM 0 H LEU A 26 13.046 0.069 -3.824 1.00 0.00 H new ATOM 0 HA LEU A 26 12.508 2.834 -3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.110 1.212 -3.986 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.407 2.919 -4.252 1.00 0.00 H new ATOM 0 HG LEU A 26 12.131 1.031 -5.736 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.443 0.667 -7.477 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.993 -0.089 -5.930 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.218 1.431 -6.436 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.805 2.680 -7.533 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.668 3.572 -6.495 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.378 3.431 -6.025 1.00 0.00 H new ATOM 377 N GLN A 27 10.459 1.853 -1.700 1.00 0.00 N ATOM 378 CA GLN A 27 9.803 1.488 -0.456 1.00 0.00 C ATOM 379 C GLN A 27 8.653 2.449 -0.176 1.00 0.00 C ATOM 380 O GLN A 27 8.800 3.422 0.563 1.00 0.00 O ATOM 381 CB GLN A 27 10.819 1.491 0.682 1.00 0.00 C ATOM 382 CG GLN A 27 10.203 1.591 2.069 1.00 0.00 C ATOM 383 CD GLN A 27 11.246 1.695 3.163 1.00 0.00 C ATOM 384 OE1 GLN A 27 11.828 0.693 3.581 1.00 0.00 O ATOM 385 NE2 GLN A 27 11.488 2.912 3.635 1.00 0.00 N ATOM 0 H GLN A 27 9.958 2.559 -2.239 1.00 0.00 H new ATOM 0 HA GLN A 27 9.390 0.483 -0.540 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.413 0.579 0.626 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.504 2.327 0.540 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.550 2.463 2.111 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.579 0.716 2.249 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.983 3.714 3.260 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.179 3.045 4.373 1.00 0.00 H new ATOM 394 N CYS A 28 7.513 2.174 -0.801 1.00 0.00 N ATOM 395 CA CYS A 28 6.328 3.009 -0.659 1.00 0.00 C ATOM 396 C CYS A 28 6.288 3.671 0.716 1.00 0.00 C ATOM 397 O CYS A 28 6.008 3.015 1.719 1.00 0.00 O ATOM 398 CB CYS A 28 5.052 2.188 -0.867 1.00 0.00 C ATOM 399 SG CYS A 28 3.845 2.964 -1.996 1.00 0.00 S ATOM 0 H CYS A 28 7.386 1.371 -1.417 1.00 0.00 H new ATOM 0 HA CYS A 28 6.381 3.784 -1.424 1.00 0.00 H new ATOM 0 HB2 CYS A 28 5.323 1.208 -1.259 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.576 2.024 0.100 1.00 0.00 H new ATOM 404 N MET A 29 6.565 4.969 0.761 1.00 0.00 N ATOM 405 CA MET A 29 6.553 5.704 2.021 1.00 0.00 C ATOM 406 C MET A 29 5.493 6.800 2.003 1.00 0.00 C ATOM 407 O MET A 29 5.390 7.562 1.041 1.00 0.00 O ATOM 408 CB MET A 29 7.927 6.314 2.296 1.00 0.00 C ATOM 409 CG MET A 29 8.314 6.313 3.766 1.00 0.00 C ATOM 410 SD MET A 29 8.904 4.704 4.327 1.00 0.00 S ATOM 411 CE MET A 29 7.884 4.457 5.779 1.00 0.00 C ATOM 0 H MET A 29 6.800 5.532 -0.056 1.00 0.00 H new ATOM 0 HA MET A 29 6.310 5.001 2.818 1.00 0.00 H new ATOM 0 HB2 MET A 29 8.679 5.763 1.731 1.00 0.00 H new ATOM 0 HB3 MET A 29 7.940 7.340 1.927 1.00 0.00 H new ATOM 0 HG2 MET A 29 9.091 7.059 3.934 1.00 0.00 H new ATOM 0 HG3 MET A 29 7.453 6.609 4.365 1.00 0.00 H new ATOM 0 HE1 MET A 29 8.132 3.500 6.239 1.00 0.00 H new ATOM 0 HE2 MET A 29 8.066 5.261 6.492 1.00 0.00 H new ATOM 0 HE3 MET A 29 6.833 4.459 5.490 1.00 0.00 H new ATOM 421 N GLY A 30 4.707 6.872 3.071 1.00 0.00 N ATOM 422 CA GLY A 30 3.665 7.877 3.158 1.00 0.00 C ATOM 423 C GLY A 30 2.379 7.325 3.738 1.00 0.00 C ATOM 424 O GLY A 30 2.374 6.255 4.345 1.00 0.00 O ATOM 0 H GLY A 30 4.773 6.252 3.878 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.013 8.705 3.775 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.469 8.280 2.165 1.00 0.00 H new ATOM 428 N CYS A 31 1.285 8.056 3.549 1.00 0.00 N ATOM 429 CA CYS A 31 -0.012 7.631 4.059 1.00 0.00 C ATOM 430 C CYS A 31 -1.147 8.279 3.273 1.00 0.00 C ATOM 431 O CYS A 31 -1.178 9.497 3.095 1.00 0.00 O ATOM 432 CB CYS A 31 -0.140 7.973 5.544 1.00 0.00 C ATOM 433 SG CYS A 31 1.214 9.008 6.190 1.00 0.00 S ATOM 0 H CYS A 31 1.272 8.944 3.047 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.084 6.550 3.938 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.086 8.489 5.707 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.180 7.047 6.117 1.00 0.00 H new ATOM 438 N CYS A 32 -2.077 7.453 2.805 1.00 0.00 N ATOM 439 CA CYS A 32 -3.218 7.936 2.034 1.00 0.00 C ATOM 440 C CYS A 32 -4.103 8.854 2.872 1.00 0.00 C ATOM 441 O CYS A 32 -4.088 8.795 4.101 1.00 0.00 O ATOM 442 CB CYS A 32 -4.041 6.754 1.520 1.00 0.00 C ATOM 443 SG CYS A 32 -3.036 5.353 0.932 1.00 0.00 S ATOM 0 H CYS A 32 -2.063 6.443 2.947 1.00 0.00 H new ATOM 0 HA CYS A 32 -2.835 8.508 1.189 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.698 6.407 2.318 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.681 7.096 0.706 1.00 0.00 H new ATOM 448 N PHE A 33 -4.880 9.696 2.197 1.00 0.00 N ATOM 449 CA PHE A 33 -5.779 10.618 2.881 1.00 0.00 C ATOM 450 C PHE A 33 -7.183 10.028 2.974 1.00 0.00 C ATOM 451 O PHE A 33 -7.547 9.416 3.978 1.00 0.00 O ATOM 452 CB PHE A 33 -5.832 11.965 2.152 1.00 0.00 C ATOM 453 CG PHE A 33 -4.494 12.630 1.996 1.00 0.00 C ATOM 454 CD1 PHE A 33 -3.841 13.171 3.092 1.00 0.00 C ATOM 455 CD2 PHE A 33 -3.890 12.719 0.751 1.00 0.00 C ATOM 456 CE1 PHE A 33 -2.611 13.787 2.949 1.00 0.00 C ATOM 457 CE2 PHE A 33 -2.662 13.333 0.602 1.00 0.00 C ATOM 458 CZ PHE A 33 -2.021 13.868 1.703 1.00 0.00 C ATOM 0 H PHE A 33 -4.905 9.758 1.179 1.00 0.00 H new ATOM 0 HA PHE A 33 -5.394 10.778 3.888 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.269 11.815 1.165 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.498 12.635 2.696 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.298 13.111 4.069 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.386 12.303 -0.113 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.112 14.204 3.811 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.203 13.395 -0.374 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.061 14.349 1.589 1.00 0.00 H new ATOM 468 N SER A 34 -7.967 10.213 1.916 1.00 0.00 N ATOM 469 CA SER A 34 -9.331 9.701 1.871 1.00 0.00 C ATOM 470 C SER A 34 -9.443 8.548 0.878 1.00 0.00 C ATOM 471 O SER A 34 -8.436 8.034 0.391 1.00 0.00 O ATOM 472 CB SER A 34 -10.304 10.817 1.485 1.00 0.00 C ATOM 473 OG SER A 34 -9.629 11.880 0.834 1.00 0.00 O ATOM 0 H SER A 34 -7.679 10.715 1.076 1.00 0.00 H new ATOM 0 HA SER A 34 -9.589 9.331 2.863 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.078 10.418 0.830 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.804 11.192 2.378 1.00 0.00 H new ATOM 0 HG SER A 34 -10.273 12.579 0.596 1.00 0.00 H new ATOM 479 N ARG A 35 -10.675 8.149 0.579 1.00 0.00 N ATOM 480 CA ARG A 35 -10.919 7.060 -0.359 1.00 0.00 C ATOM 481 C ARG A 35 -11.846 7.510 -1.484 1.00 0.00 C ATOM 482 O ARG A 35 -12.606 8.466 -1.329 1.00 0.00 O ATOM 483 CB ARG A 35 -11.525 5.858 0.367 1.00 0.00 C ATOM 484 CG ARG A 35 -10.939 5.622 1.749 1.00 0.00 C ATOM 485 CD ARG A 35 -12.015 5.225 2.747 1.00 0.00 C ATOM 486 NE ARG A 35 -11.984 3.797 3.050 1.00 0.00 N ATOM 487 CZ ARG A 35 -12.887 3.184 3.808 1.00 0.00 C ATOM 488 NH1 ARG A 35 -13.884 3.875 4.344 1.00 0.00 N ATOM 489 NH2 ARG A 35 -12.792 1.880 4.034 1.00 0.00 N ATOM 0 H ARG A 35 -11.520 8.564 0.973 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.963 6.767 -0.794 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.601 6.004 0.458 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.375 4.965 -0.239 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.183 4.839 1.696 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.438 6.527 2.093 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.882 5.793 3.668 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.994 5.489 2.348 1.00 0.00 H new ATOM 0 HE ARG A 35 -11.226 3.238 2.658 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.958 4.878 4.175 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.577 3.403 4.926 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -12.025 1.346 3.626 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -13.486 1.411 4.616 1.00 0.00 H new ATOM 503 N ALA A 36 -11.775 6.818 -2.617 1.00 0.00 N ATOM 504 CA ALA A 36 -12.606 7.148 -3.768 1.00 0.00 C ATOM 505 C ALA A 36 -13.830 6.241 -3.842 1.00 0.00 C ATOM 506 O ALA A 36 -13.831 5.137 -3.299 1.00 0.00 O ATOM 507 CB ALA A 36 -11.793 7.047 -5.050 1.00 0.00 C ATOM 0 H ALA A 36 -11.150 6.025 -2.762 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.955 8.174 -3.651 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.425 7.296 -5.902 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.955 7.742 -5.005 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.416 6.031 -5.163 1.00 0.00 H new ATOM 513 N TYR A 37 -14.873 6.715 -4.518 1.00 0.00 N ATOM 514 CA TYR A 37 -16.105 5.947 -4.662 1.00 0.00 C ATOM 515 C TYR A 37 -15.807 4.497 -5.028 1.00 0.00 C ATOM 516 O TYR A 37 -15.463 4.192 -6.170 1.00 0.00 O ATOM 517 CB TYR A 37 -17.008 6.574 -5.727 1.00 0.00 C ATOM 518 CG TYR A 37 -16.914 8.082 -5.797 1.00 0.00 C ATOM 519 CD1 TYR A 37 -17.740 8.885 -5.021 1.00 0.00 C ATOM 520 CD2 TYR A 37 -16.002 8.702 -6.643 1.00 0.00 C ATOM 521 CE1 TYR A 37 -17.659 10.264 -5.084 1.00 0.00 C ATOM 522 CE2 TYR A 37 -15.915 10.080 -6.711 1.00 0.00 C ATOM 523 CZ TYR A 37 -16.746 10.856 -5.931 1.00 0.00 C ATOM 524 OH TYR A 37 -16.663 12.228 -5.998 1.00 0.00 O ATOM 0 H TYR A 37 -14.889 7.627 -4.974 1.00 0.00 H new ATOM 0 HA TYR A 37 -16.621 5.964 -3.702 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -16.749 6.158 -6.700 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -18.042 6.293 -5.525 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -18.457 8.425 -4.358 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.351 8.098 -7.257 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -18.308 10.874 -4.473 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -15.200 10.547 -7.372 1.00 0.00 H new ATOM 0 HH TYR A 37 -15.969 12.483 -6.642 1.00 0.00 H new ATOM 534 N PRO A 38 -15.942 3.584 -4.056 1.00 0.00 N ATOM 535 CA PRO A 38 -15.693 2.156 -4.270 1.00 0.00 C ATOM 536 C PRO A 38 -16.814 1.489 -5.059 1.00 0.00 C ATOM 537 O PRO A 38 -17.740 2.155 -5.520 1.00 0.00 O ATOM 538 CB PRO A 38 -15.639 1.597 -2.849 1.00 0.00 C ATOM 539 CG PRO A 38 -16.511 2.508 -2.056 1.00 0.00 C ATOM 540 CD PRO A 38 -16.355 3.874 -2.670 1.00 0.00 C ATOM 0 HA PRO A 38 -14.788 1.978 -4.851 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -16.001 0.570 -2.813 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -14.619 1.589 -2.464 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -17.550 2.181 -2.091 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -16.215 2.516 -1.007 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -17.288 4.437 -2.639 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -15.607 4.467 -2.144 1.00 0.00 H new ATOM 548 N THR A 39 -16.728 0.172 -5.206 1.00 0.00 N ATOM 549 CA THR A 39 -17.741 -0.579 -5.936 1.00 0.00 C ATOM 550 C THR A 39 -18.489 -1.527 -5.006 1.00 0.00 C ATOM 551 O THR A 39 -18.487 -2.742 -5.206 1.00 0.00 O ATOM 552 CB THR A 39 -17.105 -1.364 -7.084 1.00 0.00 C ATOM 553 OG1 THR A 39 -15.835 -1.867 -6.707 1.00 0.00 O ATOM 554 CG2 THR A 39 -16.921 -0.540 -8.339 1.00 0.00 C ATOM 0 H THR A 39 -15.969 -0.396 -4.830 1.00 0.00 H new ATOM 0 HA THR A 39 -18.454 0.134 -6.350 1.00 0.00 H new ATOM 0 HB THR A 39 -17.800 -2.176 -7.300 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.446 -2.367 -7.455 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.465 -1.155 -9.115 1.00 0.00 H new ATOM 0 HG22 THR A 39 -17.891 -0.181 -8.684 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.274 0.311 -8.124 1.00 0.00 H new ATOM 562 N PRO A 40 -19.143 -0.977 -3.972 1.00 0.00 N ATOM 563 CA PRO A 40 -19.905 -1.771 -3.004 1.00 0.00 C ATOM 564 C PRO A 40 -21.077 -2.496 -3.655 1.00 0.00 C ATOM 565 O PRO A 40 -21.692 -3.373 -3.049 1.00 0.00 O ATOM 566 CB PRO A 40 -20.411 -0.732 -1.996 1.00 0.00 C ATOM 567 CG PRO A 40 -20.350 0.570 -2.718 1.00 0.00 C ATOM 568 CD PRO A 40 -19.193 0.461 -3.670 1.00 0.00 C ATOM 0 HA PRO A 40 -19.296 -2.553 -2.551 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -21.428 -0.957 -1.674 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -19.790 -0.716 -1.101 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -21.279 0.763 -3.254 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -20.206 1.396 -2.022 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -19.353 1.056 -4.569 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -18.265 0.810 -3.218 1.00 0.00 H new ATOM 576 N LEU A 41 -21.378 -2.123 -4.895 1.00 0.00 N ATOM 577 CA LEU A 41 -22.475 -2.736 -5.634 1.00 0.00 C ATOM 578 C LEU A 41 -21.994 -3.250 -6.988 1.00 0.00 C ATOM 579 O LEU A 41 -22.653 -3.049 -8.007 1.00 0.00 O ATOM 580 CB LEU A 41 -23.607 -1.726 -5.835 1.00 0.00 C ATOM 581 CG LEU A 41 -24.947 -2.115 -5.210 1.00 0.00 C ATOM 582 CD1 LEU A 41 -25.837 -0.890 -5.053 1.00 0.00 C ATOM 583 CD2 LEU A 41 -25.638 -3.170 -6.058 1.00 0.00 C ATOM 0 H LEU A 41 -20.877 -1.399 -5.409 1.00 0.00 H new ATOM 0 HA LEU A 41 -22.847 -3.580 -5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -23.295 -0.768 -5.419 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -23.753 -1.577 -6.905 1.00 0.00 H new ATOM 0 HG LEU A 41 -24.760 -2.533 -4.221 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -26.787 -1.185 -4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -25.344 -0.162 -4.409 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -26.019 -0.444 -6.031 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -26.591 -3.437 -5.601 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -25.814 -2.775 -7.059 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -25.006 -4.056 -6.124 1.00 0.00 H new ATOM 595 N ARG A 42 -20.839 -3.908 -6.993 1.00 0.00 N ATOM 596 CA ARG A 42 -20.271 -4.442 -8.226 1.00 0.00 C ATOM 597 C ARG A 42 -19.517 -5.744 -7.966 1.00 0.00 C ATOM 598 O ARG A 42 -19.579 -6.679 -8.764 1.00 0.00 O ATOM 599 CB ARG A 42 -19.330 -3.414 -8.859 1.00 0.00 C ATOM 600 CG ARG A 42 -19.372 -3.398 -10.378 1.00 0.00 C ATOM 601 CD ARG A 42 -18.083 -2.841 -10.962 1.00 0.00 C ATOM 602 NE ARG A 42 -18.256 -1.493 -11.497 1.00 0.00 N ATOM 603 CZ ARG A 42 -18.883 -1.226 -12.639 1.00 0.00 C ATOM 604 NH1 ARG A 42 -19.417 -2.210 -13.350 1.00 0.00 N ATOM 605 NH2 ARG A 42 -18.981 0.025 -13.067 1.00 0.00 N ATOM 0 H ARG A 42 -20.279 -4.084 -6.159 1.00 0.00 H new ATOM 0 HA ARG A 42 -21.091 -4.653 -8.912 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -19.587 -2.422 -8.487 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -18.310 -3.621 -8.535 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -19.535 -4.410 -10.750 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -20.216 -2.795 -10.714 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -17.313 -2.828 -10.191 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -17.730 -3.502 -11.754 1.00 0.00 H new ATOM 0 HE ARG A 42 -17.874 -0.712 -10.964 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -19.347 -3.173 -13.021 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -19.898 -2.004 -14.226 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -18.575 0.784 -12.520 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -19.462 0.228 -13.943 1.00 0.00 H new ATOM 619 N SER A 43 -18.802 -5.796 -6.847 1.00 0.00 N ATOM 620 CA SER A 43 -18.032 -6.982 -6.486 1.00 0.00 C ATOM 621 C SER A 43 -18.939 -8.201 -6.337 1.00 0.00 C ATOM 622 O SER A 43 -18.474 -9.340 -6.379 1.00 0.00 O ATOM 623 CB SER A 43 -17.267 -6.737 -5.184 1.00 0.00 C ATOM 624 OG SER A 43 -16.670 -7.931 -4.710 1.00 0.00 O ATOM 0 H SER A 43 -18.739 -5.032 -6.175 1.00 0.00 H new ATOM 0 HA SER A 43 -17.321 -7.181 -7.288 1.00 0.00 H new ATOM 0 HB2 SER A 43 -16.498 -5.982 -5.347 1.00 0.00 H new ATOM 0 HB3 SER A 43 -17.946 -6.342 -4.429 1.00 0.00 H new ATOM 0 HG SER A 43 -16.186 -7.747 -3.878 1.00 0.00 H new ATOM 630 N LYS A 44 -20.233 -7.954 -6.162 1.00 0.00 N ATOM 631 CA LYS A 44 -21.207 -9.030 -6.007 1.00 0.00 C ATOM 632 C LYS A 44 -21.286 -9.493 -4.554 1.00 0.00 C ATOM 633 O LYS A 44 -22.165 -9.067 -3.806 1.00 0.00 O ATOM 634 CB LYS A 44 -20.850 -10.210 -6.915 1.00 0.00 C ATOM 635 CG LYS A 44 -20.464 -9.800 -8.326 1.00 0.00 C ATOM 636 CD LYS A 44 -19.379 -10.706 -8.888 1.00 0.00 C ATOM 637 CE LYS A 44 -19.908 -11.586 -10.008 1.00 0.00 C ATOM 638 NZ LYS A 44 -20.360 -12.912 -9.504 1.00 0.00 N ATOM 0 H LYS A 44 -20.633 -7.016 -6.124 1.00 0.00 H new ATOM 0 HA LYS A 44 -22.184 -8.643 -6.297 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -20.024 -10.764 -6.468 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -21.701 -10.890 -6.964 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -21.342 -9.837 -8.971 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -20.114 -8.768 -8.324 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -18.554 -10.099 -9.261 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -18.979 -11.332 -8.091 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -20.739 -11.083 -10.503 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -19.129 -11.728 -10.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -20.714 -13.483 -10.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -19.561 -13.403 -9.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -21.121 -12.778 -8.808 1.00 0.00 H new ATOM 652 N LYS A 45 -20.358 -10.364 -4.161 1.00 0.00 N ATOM 653 CA LYS A 45 -20.317 -10.884 -2.796 1.00 0.00 C ATOM 654 C LYS A 45 -21.714 -10.943 -2.184 1.00 0.00 C ATOM 655 O LYS A 45 -21.896 -10.637 -1.006 1.00 0.00 O ATOM 656 CB LYS A 45 -19.406 -10.014 -1.927 1.00 0.00 C ATOM 657 CG LYS A 45 -19.025 -10.656 -0.603 1.00 0.00 C ATOM 658 CD LYS A 45 -17.712 -10.100 -0.072 1.00 0.00 C ATOM 659 CE LYS A 45 -16.523 -10.631 -0.854 1.00 0.00 C ATOM 660 NZ LYS A 45 -15.655 -11.504 -0.018 1.00 0.00 N ATOM 0 H LYS A 45 -19.623 -10.725 -4.770 1.00 0.00 H new ATOM 0 HA LYS A 45 -19.919 -11.898 -2.836 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -18.497 -9.786 -2.484 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -19.905 -9.065 -1.730 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -19.816 -10.484 0.127 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -18.939 -11.735 -0.732 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -17.728 -9.012 -0.128 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -17.603 -10.364 0.980 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.878 -11.193 -1.718 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.937 -9.795 -1.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.855 -11.846 -0.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.295 -10.961 0.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.207 -12.315 0.326 1.00 0.00 H new ATOM 674 N THR A 46 -22.696 -11.337 -2.989 1.00 0.00 N ATOM 675 CA THR A 46 -24.076 -11.436 -2.524 1.00 0.00 C ATOM 676 C THR A 46 -24.468 -10.202 -1.714 1.00 0.00 C ATOM 677 O THR A 46 -24.061 -10.047 -0.563 1.00 0.00 O ATOM 678 CB THR A 46 -24.264 -12.700 -1.681 1.00 0.00 C ATOM 679 OG1 THR A 46 -23.065 -13.037 -1.008 1.00 0.00 O ATOM 680 CG2 THR A 46 -24.685 -13.904 -2.496 1.00 0.00 C ATOM 0 H THR A 46 -22.562 -11.593 -3.967 1.00 0.00 H new ATOM 0 HA THR A 46 -24.725 -11.493 -3.398 1.00 0.00 H new ATOM 0 HB THR A 46 -25.059 -12.461 -0.975 1.00 0.00 H new ATOM 0 HG1 THR A 46 -22.733 -12.255 -0.520 1.00 0.00 H new ATOM 0 HG21 THR A 46 -24.801 -14.766 -1.839 1.00 0.00 H new ATOM 0 HG22 THR A 46 -25.633 -13.695 -2.991 1.00 0.00 H new ATOM 0 HG23 THR A 46 -23.924 -14.120 -3.246 1.00 0.00 H new ATOM 688 N MET A 47 -25.260 -9.328 -2.334 1.00 0.00 N ATOM 689 CA MET A 47 -25.720 -8.095 -1.695 1.00 0.00 C ATOM 690 C MET A 47 -25.535 -8.137 -0.181 1.00 0.00 C ATOM 691 O MET A 47 -26.277 -8.817 0.528 1.00 0.00 O ATOM 692 CB MET A 47 -27.192 -7.846 -2.029 1.00 0.00 C ATOM 693 CG MET A 47 -27.532 -6.377 -2.222 1.00 0.00 C ATOM 694 SD MET A 47 -27.341 -5.415 -0.708 1.00 0.00 S ATOM 695 CE MET A 47 -28.998 -5.513 -0.032 1.00 0.00 C ATOM 0 H MET A 47 -25.599 -9.453 -3.288 1.00 0.00 H new ATOM 0 HA MET A 47 -25.112 -7.278 -2.084 1.00 0.00 H new ATOM 0 HB2 MET A 47 -27.447 -8.392 -2.937 1.00 0.00 H new ATOM 0 HB3 MET A 47 -27.811 -8.252 -1.229 1.00 0.00 H new ATOM 0 HG2 MET A 47 -26.890 -5.958 -2.997 1.00 0.00 H new ATOM 0 HG3 MET A 47 -28.559 -6.289 -2.577 1.00 0.00 H new ATOM 0 HE1 MET A 47 -29.040 -4.964 0.909 1.00 0.00 H new ATOM 0 HE2 MET A 47 -29.705 -5.078 -0.738 1.00 0.00 H new ATOM 0 HE3 MET A 47 -29.258 -6.557 0.145 1.00 0.00 H new ATOM 705 N LEU A 48 -24.544 -7.399 0.307 1.00 0.00 N ATOM 706 CA LEU A 48 -24.265 -7.346 1.737 1.00 0.00 C ATOM 707 C LEU A 48 -24.958 -6.147 2.377 1.00 0.00 C ATOM 708 O LEU A 48 -24.807 -5.013 1.923 1.00 0.00 O ATOM 709 CB LEU A 48 -22.757 -7.274 1.987 1.00 0.00 C ATOM 710 CG LEU A 48 -22.146 -5.877 1.870 1.00 0.00 C ATOM 711 CD1 LEU A 48 -20.793 -5.824 2.564 1.00 0.00 C ATOM 712 CD2 LEU A 48 -22.015 -5.477 0.409 1.00 0.00 C ATOM 0 H LEU A 48 -23.921 -6.830 -0.266 1.00 0.00 H new ATOM 0 HA LEU A 48 -24.654 -8.257 2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -22.551 -7.661 2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -22.255 -7.934 1.279 1.00 0.00 H new ATOM 0 HG LEU A 48 -22.810 -5.167 2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -20.375 -4.822 2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -20.916 -6.068 3.619 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -20.118 -6.544 2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -21.579 -4.480 0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -21.372 -6.190 -0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -23.000 -5.474 -0.057 1.00 0.00 H new ATOM 724 N VAL A 49 -25.720 -6.407 3.433 1.00 0.00 N ATOM 725 CA VAL A 49 -26.435 -5.350 4.135 1.00 0.00 C ATOM 726 C VAL A 49 -25.478 -4.243 4.566 1.00 0.00 C ATOM 727 O VAL A 49 -24.449 -4.507 5.189 1.00 0.00 O ATOM 728 CB VAL A 49 -27.168 -5.903 5.372 1.00 0.00 C ATOM 729 CG1 VAL A 49 -26.340 -6.993 6.035 1.00 0.00 C ATOM 730 CG2 VAL A 49 -27.488 -4.786 6.356 1.00 0.00 C ATOM 0 H VAL A 49 -25.858 -7.340 3.821 1.00 0.00 H new ATOM 0 HA VAL A 49 -27.171 -4.939 3.444 1.00 0.00 H new ATOM 0 HB VAL A 49 -28.112 -6.341 5.047 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -26.871 -7.374 6.907 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -26.175 -7.806 5.328 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -25.380 -6.582 6.346 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -28.005 -5.200 7.221 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -26.562 -4.310 6.680 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -28.126 -4.046 5.872 1.00 0.00 H new ATOM 740 N GLN A 50 -25.821 -3.004 4.228 1.00 0.00 N ATOM 741 CA GLN A 50 -24.989 -1.859 4.579 1.00 0.00 C ATOM 742 C GLN A 50 -25.008 -1.616 6.085 1.00 0.00 C ATOM 743 O GLN A 50 -25.742 -0.760 6.577 1.00 0.00 O ATOM 744 CB GLN A 50 -25.467 -0.606 3.843 1.00 0.00 C ATOM 745 CG GLN A 50 -24.846 -0.434 2.466 1.00 0.00 C ATOM 746 CD GLN A 50 -24.521 -1.757 1.802 1.00 0.00 C ATOM 747 OE1 GLN A 50 -25.370 -2.644 1.711 1.00 0.00 O ATOM 748 NE2 GLN A 50 -23.287 -1.897 1.333 1.00 0.00 N ATOM 0 H GLN A 50 -26.669 -2.768 3.712 1.00 0.00 H new ATOM 0 HA GLN A 50 -23.966 -2.080 4.276 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -26.551 -0.647 3.741 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -25.237 0.271 4.448 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -25.531 0.128 1.831 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -23.935 0.157 2.554 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -22.615 -1.136 1.430 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -23.011 -2.766 0.876 1.00 0.00 H new ATOM 757 N LYS A 51 -24.196 -2.376 6.810 1.00 0.00 N ATOM 758 CA LYS A 51 -24.118 -2.245 8.260 1.00 0.00 C ATOM 759 C LYS A 51 -22.695 -1.917 8.699 1.00 0.00 C ATOM 760 O LYS A 51 -21.844 -1.577 7.878 1.00 0.00 O ATOM 761 CB LYS A 51 -24.596 -3.531 8.937 1.00 0.00 C ATOM 762 CG LYS A 51 -25.403 -3.287 10.202 1.00 0.00 C ATOM 763 CD LYS A 51 -26.888 -3.508 9.965 1.00 0.00 C ATOM 764 CE LYS A 51 -27.652 -3.592 11.275 1.00 0.00 C ATOM 765 NZ LYS A 51 -27.909 -2.245 11.855 1.00 0.00 N ATOM 0 H LYS A 51 -23.582 -3.090 6.417 1.00 0.00 H new ATOM 0 HA LYS A 51 -24.769 -1.425 8.563 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -25.203 -4.099 8.232 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -23.731 -4.147 9.181 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -25.056 -3.954 10.991 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -25.237 -2.268 10.550 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -27.287 -2.693 9.361 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -27.035 -4.427 9.397 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -28.600 -4.103 11.110 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -27.086 -4.192 11.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -28.432 -2.346 12.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -27.004 -1.767 12.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -28.471 -1.681 11.186 1.00 0.00 H new ATOM 779 N ASN A 52 -22.445 -2.018 9.999 1.00 0.00 N ATOM 780 CA ASN A 52 -21.127 -1.728 10.549 1.00 0.00 C ATOM 781 C ASN A 52 -20.049 -2.578 9.883 1.00 0.00 C ATOM 782 O ASN A 52 -19.785 -3.704 10.306 1.00 0.00 O ATOM 783 CB ASN A 52 -21.122 -1.972 12.058 1.00 0.00 C ATOM 784 CG ASN A 52 -21.991 -3.150 12.452 1.00 0.00 C ATOM 785 OD1 ASN A 52 -21.533 -4.293 12.479 1.00 0.00 O ATOM 786 ND2 ASN A 52 -23.254 -2.877 12.758 1.00 0.00 N ATOM 0 H ASN A 52 -23.139 -2.299 10.692 1.00 0.00 H new ATOM 0 HA ASN A 52 -20.904 -0.680 10.351 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -20.100 -2.149 12.392 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -21.474 -1.076 12.570 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -23.887 -3.629 13.029 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -23.591 -1.915 12.722 1.00 0.00 H new ATOM 793 N VAL A 53 -19.424 -2.029 8.847 1.00 0.00 N ATOM 794 CA VAL A 53 -18.367 -2.734 8.131 1.00 0.00 C ATOM 795 C VAL A 53 -17.013 -2.484 8.785 1.00 0.00 C ATOM 796 O VAL A 53 -16.852 -1.540 9.559 1.00 0.00 O ATOM 797 CB VAL A 53 -18.296 -2.306 6.652 1.00 0.00 C ATOM 798 CG1 VAL A 53 -17.978 -0.824 6.537 1.00 0.00 C ATOM 799 CG2 VAL A 53 -17.265 -3.137 5.903 1.00 0.00 C ATOM 0 H VAL A 53 -19.631 -1.098 8.484 1.00 0.00 H new ATOM 0 HA VAL A 53 -18.608 -3.796 8.176 1.00 0.00 H new ATOM 0 HB VAL A 53 -19.271 -2.481 6.198 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -17.932 -0.542 5.485 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -18.756 -0.245 7.034 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -17.017 -0.620 7.009 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -17.230 -2.820 4.861 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -16.285 -2.997 6.358 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -17.541 -4.190 5.953 1.00 0.00 H new ATOM 809 N THR A 54 -16.042 -3.335 8.472 1.00 0.00 N ATOM 810 CA THR A 54 -14.703 -3.204 9.033 1.00 0.00 C ATOM 811 C THR A 54 -14.134 -1.812 8.770 1.00 0.00 C ATOM 812 O THR A 54 -14.097 -1.351 7.628 1.00 0.00 O ATOM 813 CB THR A 54 -13.777 -4.269 8.444 1.00 0.00 C ATOM 814 OG1 THR A 54 -12.453 -4.102 8.919 1.00 0.00 O ATOM 815 CG2 THR A 54 -13.729 -4.252 6.931 1.00 0.00 C ATOM 0 H THR A 54 -16.157 -4.122 7.833 1.00 0.00 H new ATOM 0 HA THR A 54 -14.771 -3.348 10.111 1.00 0.00 H new ATOM 0 HB THR A 54 -14.194 -5.223 8.766 1.00 0.00 H new ATOM 0 HG1 THR A 54 -11.877 -4.794 8.532 1.00 0.00 H new ATOM 0 HG21 THR A 54 -13.054 -5.032 6.580 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.728 -4.430 6.533 1.00 0.00 H new ATOM 0 HG23 THR A 54 -13.370 -3.281 6.589 1.00 0.00 H new ATOM 823 N SER A 55 -13.691 -1.147 9.834 1.00 0.00 N ATOM 824 CA SER A 55 -13.122 0.192 9.718 1.00 0.00 C ATOM 825 C SER A 55 -11.634 0.181 10.057 1.00 0.00 C ATOM 826 O SER A 55 -11.251 0.324 11.218 1.00 0.00 O ATOM 827 CB SER A 55 -13.858 1.165 10.641 1.00 0.00 C ATOM 828 OG SER A 55 -12.946 1.975 11.364 1.00 0.00 O ATOM 0 H SER A 55 -13.715 -1.514 10.786 1.00 0.00 H new ATOM 0 HA SER A 55 -13.241 0.521 8.686 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.522 1.797 10.052 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.484 0.607 11.337 1.00 0.00 H new ATOM 0 HG SER A 55 -12.379 1.407 11.927 1.00 0.00 H new ATOM 834 N GLU A 56 -10.801 0.009 9.035 1.00 0.00 N ATOM 835 CA GLU A 56 -9.356 -0.021 9.225 1.00 0.00 C ATOM 836 C GLU A 56 -8.663 0.958 8.280 1.00 0.00 C ATOM 837 O GLU A 56 -8.923 0.962 7.077 1.00 0.00 O ATOM 838 CB GLU A 56 -8.817 -1.437 8.997 1.00 0.00 C ATOM 839 CG GLU A 56 -9.894 -2.458 8.666 1.00 0.00 C ATOM 840 CD GLU A 56 -10.134 -2.590 7.175 1.00 0.00 C ATOM 841 OE1 GLU A 56 -10.074 -1.560 6.471 1.00 0.00 O ATOM 842 OE2 GLU A 56 -10.381 -3.723 6.711 1.00 0.00 O ATOM 0 H GLU A 56 -11.102 -0.112 8.068 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.144 0.279 10.251 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.091 -1.413 8.185 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.285 -1.761 9.891 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.606 -3.428 9.071 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.824 -2.171 9.156 1.00 0.00 H new ATOM 849 N SER A 57 -7.782 1.786 8.832 1.00 0.00 N ATOM 850 CA SER A 57 -7.055 2.769 8.035 1.00 0.00 C ATOM 851 C SER A 57 -6.520 2.140 6.751 1.00 0.00 C ATOM 852 O SER A 57 -6.230 0.945 6.707 1.00 0.00 O ATOM 853 CB SER A 57 -5.903 3.365 8.844 1.00 0.00 C ATOM 854 OG SER A 57 -4.685 2.693 8.572 1.00 0.00 O ATOM 0 H SER A 57 -7.554 1.796 9.826 1.00 0.00 H new ATOM 0 HA SER A 57 -7.749 3.566 7.767 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.798 4.424 8.607 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.129 3.297 9.908 1.00 0.00 H new ATOM 0 HG SER A 57 -3.965 3.095 9.101 1.00 0.00 H new ATOM 860 N THR A 58 -6.396 2.956 5.709 1.00 0.00 N ATOM 861 CA THR A 58 -5.902 2.486 4.419 1.00 0.00 C ATOM 862 C THR A 58 -4.401 2.732 4.283 1.00 0.00 C ATOM 863 O THR A 58 -3.796 3.409 5.113 1.00 0.00 O ATOM 864 CB THR A 58 -6.650 3.190 3.284 1.00 0.00 C ATOM 865 OG1 THR A 58 -7.332 4.333 3.768 1.00 0.00 O ATOM 866 CG2 THR A 58 -7.668 2.305 2.596 1.00 0.00 C ATOM 0 H THR A 58 -6.631 3.948 5.733 1.00 0.00 H new ATOM 0 HA THR A 58 -6.079 1.412 4.358 1.00 0.00 H new ATOM 0 HB THR A 58 -5.883 3.464 2.559 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.803 4.771 3.028 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.161 2.867 1.803 1.00 0.00 H new ATOM 0 HG22 THR A 58 -7.166 1.437 2.168 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.411 1.973 3.321 1.00 0.00 H new ATOM 874 N CYS A 59 -3.806 2.177 3.229 1.00 0.00 N ATOM 875 CA CYS A 59 -2.376 2.341 2.985 1.00 0.00 C ATOM 876 C CYS A 59 -1.988 1.819 1.605 1.00 0.00 C ATOM 877 O CYS A 59 -2.757 1.107 0.960 1.00 0.00 O ATOM 878 CB CYS A 59 -1.566 1.619 4.063 1.00 0.00 C ATOM 879 SG CYS A 59 -2.467 0.266 4.886 1.00 0.00 S ATOM 0 H CYS A 59 -4.291 1.611 2.532 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.151 3.407 3.023 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.659 1.216 3.612 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.254 2.344 4.815 1.00 0.00 H new ATOM 884 N CYS A 60 -0.791 2.185 1.157 1.00 0.00 N ATOM 885 CA CYS A 60 -0.301 1.762 -0.150 1.00 0.00 C ATOM 886 C CYS A 60 0.514 0.477 -0.050 1.00 0.00 C ATOM 887 O CYS A 60 1.411 0.359 0.785 1.00 0.00 O ATOM 888 CB CYS A 60 0.550 2.865 -0.779 1.00 0.00 C ATOM 889 SG CYS A 60 -0.260 4.496 -0.813 1.00 0.00 S ATOM 0 H CYS A 60 -0.143 2.774 1.680 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.168 1.568 -0.782 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.486 2.947 -0.227 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.805 2.576 -1.799 1.00 0.00 H new ATOM 894 N VAL A 61 0.201 -0.476 -0.920 1.00 0.00 N ATOM 895 CA VAL A 61 0.904 -1.750 -0.951 1.00 0.00 C ATOM 896 C VAL A 61 1.329 -2.080 -2.376 1.00 0.00 C ATOM 897 O VAL A 61 0.673 -2.865 -3.060 1.00 0.00 O ATOM 898 CB VAL A 61 0.025 -2.892 -0.402 1.00 0.00 C ATOM 899 CG1 VAL A 61 -1.357 -2.859 -1.038 1.00 0.00 C ATOM 900 CG2 VAL A 61 0.691 -4.242 -0.627 1.00 0.00 C ATOM 0 H VAL A 61 -0.539 -0.388 -1.616 1.00 0.00 H new ATOM 0 HA VAL A 61 1.785 -1.657 -0.316 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.091 -2.747 0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.961 -3.673 -0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.837 -1.906 -0.815 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.263 -2.974 -2.118 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.053 -5.033 -0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.844 -4.399 -1.695 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.653 -4.263 -0.116 1.00 0.00 H new ATOM 910 N ALA A 62 2.424 -1.457 -2.819 1.00 0.00 N ATOM 911 CA ALA A 62 2.943 -1.660 -4.170 1.00 0.00 C ATOM 912 C ALA A 62 2.027 -2.563 -4.991 1.00 0.00 C ATOM 913 O ALA A 62 1.994 -3.778 -4.796 1.00 0.00 O ATOM 914 CB ALA A 62 4.355 -2.224 -4.125 1.00 0.00 C ATOM 0 H ALA A 62 2.970 -0.804 -2.256 1.00 0.00 H new ATOM 0 HA ALA A 62 2.975 -0.687 -4.661 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.722 -2.367 -5.141 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.008 -1.528 -3.598 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.348 -3.181 -3.603 1.00 0.00 H new ATOM 920 N LYS A 63 1.298 -1.956 -5.920 1.00 0.00 N ATOM 921 CA LYS A 63 0.393 -2.684 -6.789 1.00 0.00 C ATOM 922 C LYS A 63 1.156 -3.783 -7.489 1.00 0.00 C ATOM 923 O LYS A 63 0.670 -4.902 -7.659 1.00 0.00 O ATOM 924 CB LYS A 63 -0.202 -1.733 -7.821 1.00 0.00 C ATOM 925 CG LYS A 63 -1.488 -2.233 -8.447 1.00 0.00 C ATOM 926 CD LYS A 63 -2.179 -1.122 -9.213 1.00 0.00 C ATOM 927 CE LYS A 63 -3.070 -1.665 -10.321 1.00 0.00 C ATOM 928 NZ LYS A 63 -4.022 -2.693 -9.819 1.00 0.00 N ATOM 0 H LYS A 63 1.320 -0.950 -6.089 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.413 -3.118 -6.198 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.391 -0.770 -7.347 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.532 -1.562 -8.609 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.272 -3.064 -9.118 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.152 -2.614 -7.671 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.778 -0.525 -8.525 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.430 -0.457 -9.643 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.628 -0.844 -10.772 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.449 -2.098 -11.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.708 -2.925 -10.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.498 -3.551 -9.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.526 -2.323 -8.988 1.00 0.00 H new ATOM 942 N SER A 64 2.370 -3.443 -7.878 1.00 0.00 N ATOM 943 CA SER A 64 3.245 -4.379 -8.548 1.00 0.00 C ATOM 944 C SER A 64 4.686 -4.126 -8.149 1.00 0.00 C ATOM 945 O SER A 64 5.286 -3.122 -8.536 1.00 0.00 O ATOM 946 CB SER A 64 3.087 -4.275 -10.061 1.00 0.00 C ATOM 947 OG SER A 64 1.732 -4.438 -10.443 1.00 0.00 O ATOM 0 H SER A 64 2.773 -2.516 -7.739 1.00 0.00 H new ATOM 0 HA SER A 64 2.969 -5.389 -8.244 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.451 -3.306 -10.402 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.699 -5.034 -10.547 1.00 0.00 H new ATOM 0 HG SER A 64 1.656 -4.366 -11.417 1.00 0.00 H new ATOM 953 N TYR A 65 5.226 -5.038 -7.361 1.00 0.00 N ATOM 954 CA TYR A 65 6.593 -4.926 -6.883 1.00 0.00 C ATOM 955 C TYR A 65 7.562 -5.595 -7.821 1.00 0.00 C ATOM 956 O TYR A 65 7.195 -6.495 -8.577 1.00 0.00 O ATOM 957 CB TYR A 65 6.731 -5.589 -5.522 1.00 0.00 C ATOM 958 CG TYR A 65 5.990 -6.901 -5.402 1.00 0.00 C ATOM 959 CD1 TYR A 65 6.279 -7.968 -6.245 1.00 0.00 C ATOM 960 CD2 TYR A 65 5.002 -7.072 -4.443 1.00 0.00 C ATOM 961 CE1 TYR A 65 5.601 -9.169 -6.134 1.00 0.00 C ATOM 962 CE2 TYR A 65 4.320 -8.269 -4.324 1.00 0.00 C ATOM 963 CZ TYR A 65 4.623 -9.314 -5.172 1.00 0.00 C ATOM 964 OH TYR A 65 3.947 -10.506 -5.059 1.00 0.00 O ATOM 0 H TYR A 65 4.735 -5.871 -7.036 1.00 0.00 H new ATOM 0 HA TYR A 65 6.823 -3.862 -6.820 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.788 -5.760 -5.317 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.365 -4.905 -4.757 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.045 -7.858 -6.998 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.761 -6.256 -3.778 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.836 -9.989 -6.797 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.554 -8.385 -3.571 1.00 0.00 H new ATOM 0 HH TYR A 65 3.292 -10.443 -4.332 1.00 0.00 H new ATOM 974 N ASN A 66 8.817 -5.194 -7.730 1.00 0.00 N ATOM 975 CA ASN A 66 9.841 -5.823 -8.547 1.00 0.00 C ATOM 976 C ASN A 66 10.957 -6.290 -7.647 1.00 0.00 C ATOM 977 O ASN A 66 12.079 -6.575 -8.065 1.00 0.00 O ATOM 978 CB ASN A 66 10.333 -4.877 -9.638 1.00 0.00 C ATOM 979 CG ASN A 66 11.337 -5.532 -10.567 1.00 0.00 C ATOM 980 OD1 ASN A 66 11.653 -6.713 -10.425 1.00 0.00 O ATOM 981 ND2 ASN A 66 11.845 -4.765 -11.526 1.00 0.00 N ATOM 0 H ASN A 66 9.148 -4.452 -7.113 1.00 0.00 H new ATOM 0 HA ASN A 66 9.424 -6.688 -9.064 1.00 0.00 H new ATOM 0 HB2 ASN A 66 9.481 -4.524 -10.220 1.00 0.00 H new ATOM 0 HB3 ASN A 66 10.788 -4.001 -9.176 1.00 0.00 H new ATOM 0 HD21 ASN A 66 12.525 -5.151 -12.181 1.00 0.00 H new ATOM 0 HD22 ASN A 66 11.555 -3.791 -11.607 1.00 0.00 H new ATOM 988 N ARG A 67 10.578 -6.362 -6.395 1.00 0.00 N ATOM 989 CA ARG A 67 11.439 -6.786 -5.298 1.00 0.00 C ATOM 990 C ARG A 67 12.865 -7.073 -5.745 1.00 0.00 C ATOM 991 O ARG A 67 13.121 -7.950 -6.570 1.00 0.00 O ATOM 992 CB ARG A 67 10.839 -8.006 -4.620 1.00 0.00 C ATOM 993 CG ARG A 67 10.633 -7.842 -3.123 1.00 0.00 C ATOM 994 CD ARG A 67 10.195 -9.149 -2.481 1.00 0.00 C ATOM 995 NE ARG A 67 11.126 -10.238 -2.767 1.00 0.00 N ATOM 996 CZ ARG A 67 10.931 -11.494 -2.380 1.00 0.00 C ATOM 997 NH1 ARG A 67 9.844 -11.818 -1.694 1.00 0.00 N ATOM 998 NH2 ARG A 67 11.824 -12.428 -2.676 1.00 0.00 N ATOM 0 H ARG A 67 9.634 -6.121 -6.093 1.00 0.00 H new ATOM 0 HA ARG A 67 11.496 -5.959 -4.590 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.880 -8.233 -5.086 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.489 -8.863 -4.795 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.559 -7.500 -2.661 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.882 -7.074 -2.939 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.115 -9.014 -1.402 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.202 -9.416 -2.843 1.00 0.00 H new ATOM 0 HE ARG A 67 11.973 -10.022 -3.293 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.155 -11.102 -1.462 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.696 -12.783 -1.398 1.00 0.00 H new ATOM 0 HH21 ARG A 67 12.663 -12.183 -3.202 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.672 -13.392 -2.378 1.00 0.00 H new ATOM 1012 N VAL A 68 13.782 -6.323 -5.156 1.00 0.00 N ATOM 1013 CA VAL A 68 15.206 -6.460 -5.431 1.00 0.00 C ATOM 1014 C VAL A 68 15.936 -6.819 -4.156 1.00 0.00 C ATOM 1015 O VAL A 68 16.989 -6.260 -3.853 1.00 0.00 O ATOM 1016 CB VAL A 68 15.825 -5.160 -5.996 1.00 0.00 C ATOM 1017 CG1 VAL A 68 15.035 -4.639 -7.185 1.00 0.00 C ATOM 1018 CG2 VAL A 68 15.918 -4.093 -4.909 1.00 0.00 C ATOM 0 H VAL A 68 13.561 -5.600 -4.472 1.00 0.00 H new ATOM 0 HA VAL A 68 15.312 -7.244 -6.181 1.00 0.00 H new ATOM 0 HB VAL A 68 16.831 -5.396 -6.342 1.00 0.00 H new ATOM 0 HG11 VAL A 68 15.498 -3.725 -7.557 1.00 0.00 H new ATOM 0 HG12 VAL A 68 15.029 -5.390 -7.975 1.00 0.00 H new ATOM 0 HG13 VAL A 68 14.011 -4.428 -6.877 1.00 0.00 H new ATOM 0 HG21 VAL A 68 16.356 -3.186 -5.326 1.00 0.00 H new ATOM 0 HG22 VAL A 68 14.920 -3.873 -4.529 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.544 -4.457 -4.094 1.00 0.00 H new ATOM 1028 N THR A 69 15.351 -7.739 -3.405 1.00 0.00 N ATOM 1029 CA THR A 69 15.920 -8.166 -2.135 1.00 0.00 C ATOM 1030 C THR A 69 17.397 -7.827 -2.065 1.00 0.00 C ATOM 1031 O THR A 69 18.195 -8.285 -2.882 1.00 0.00 O ATOM 1032 CB THR A 69 15.719 -9.659 -1.901 1.00 0.00 C ATOM 1033 OG1 THR A 69 14.344 -9.962 -1.736 1.00 0.00 O ATOM 1034 CG2 THR A 69 16.451 -10.155 -0.673 1.00 0.00 C ATOM 0 H THR A 69 14.479 -8.206 -3.654 1.00 0.00 H new ATOM 0 HA THR A 69 15.393 -7.625 -1.349 1.00 0.00 H new ATOM 0 HB THR A 69 16.122 -10.157 -2.783 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.237 -10.925 -1.589 1.00 0.00 H new ATOM 0 HG21 THR A 69 16.275 -11.224 -0.552 1.00 0.00 H new ATOM 0 HG22 THR A 69 17.520 -9.974 -0.789 1.00 0.00 H new ATOM 0 HG23 THR A 69 16.086 -9.625 0.207 1.00 0.00 H new ATOM 1042 N VAL A 70 17.744 -7.005 -1.094 1.00 0.00 N ATOM 1043 CA VAL A 70 19.118 -6.577 -0.918 1.00 0.00 C ATOM 1044 C VAL A 70 19.630 -6.892 0.475 1.00 0.00 C ATOM 1045 O VAL A 70 18.983 -7.590 1.256 1.00 0.00 O ATOM 1046 CB VAL A 70 19.273 -5.066 -1.165 1.00 0.00 C ATOM 1047 CG1 VAL A 70 20.426 -4.797 -2.118 1.00 0.00 C ATOM 1048 CG2 VAL A 70 17.979 -4.469 -1.701 1.00 0.00 C ATOM 0 H VAL A 70 17.091 -6.619 -0.412 1.00 0.00 H new ATOM 0 HA VAL A 70 19.705 -7.129 -1.652 1.00 0.00 H new ATOM 0 HB VAL A 70 19.496 -4.586 -0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 70 20.520 -3.723 -2.281 1.00 0.00 H new ATOM 0 HG12 VAL A 70 21.351 -5.182 -1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 70 20.235 -5.293 -3.070 1.00 0.00 H new ATOM 0 HG21 VAL A 70 18.113 -3.400 -1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 70 17.717 -4.953 -2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 70 17.179 -4.626 -0.978 1.00 0.00 H new ATOM 1058 N MET A 71 20.806 -6.365 0.768 1.00 0.00 N ATOM 1059 CA MET A 71 21.446 -6.568 2.058 1.00 0.00 C ATOM 1060 C MET A 71 21.265 -7.996 2.542 1.00 0.00 C ATOM 1061 O MET A 71 21.459 -8.952 1.791 1.00 0.00 O ATOM 1062 CB MET A 71 20.887 -5.603 3.100 1.00 0.00 C ATOM 1063 CG MET A 71 20.605 -4.226 2.555 1.00 0.00 C ATOM 1064 SD MET A 71 21.917 -3.045 2.928 1.00 0.00 S ATOM 1065 CE MET A 71 23.366 -4.098 2.845 1.00 0.00 C ATOM 0 H MET A 71 21.343 -5.786 0.122 1.00 0.00 H new ATOM 0 HA MET A 71 22.511 -6.374 1.926 1.00 0.00 H new ATOM 0 HB2 MET A 71 19.967 -6.018 3.511 1.00 0.00 H new ATOM 0 HB3 MET A 71 21.595 -5.521 3.924 1.00 0.00 H new ATOM 0 HG2 MET A 71 20.474 -4.288 1.475 1.00 0.00 H new ATOM 0 HG3 MET A 71 19.665 -3.861 2.970 1.00 0.00 H new ATOM 0 HE1 MET A 71 24.263 -3.494 2.984 1.00 0.00 H new ATOM 0 HE2 MET A 71 23.312 -4.853 3.629 1.00 0.00 H new ATOM 0 HE3 MET A 71 23.405 -4.587 1.872 1.00 0.00 H new ATOM 1075 N GLY A 72 20.895 -8.129 3.808 1.00 0.00 N ATOM 1076 CA GLY A 72 20.696 -9.433 4.388 1.00 0.00 C ATOM 1077 C GLY A 72 19.432 -10.112 3.900 1.00 0.00 C ATOM 1078 O GLY A 72 19.094 -11.206 4.354 1.00 0.00 O ATOM 0 H GLY A 72 20.729 -7.349 4.444 1.00 0.00 H new ATOM 0 HA2 GLY A 72 21.554 -10.063 4.154 1.00 0.00 H new ATOM 0 HA3 GLY A 72 20.656 -9.340 5.473 1.00 0.00 H new ATOM 1082 N GLY A 73 18.731 -9.469 2.973 1.00 0.00 N ATOM 1083 CA GLY A 73 17.509 -10.043 2.445 1.00 0.00 C ATOM 1084 C GLY A 73 16.359 -9.055 2.428 1.00 0.00 C ATOM 1085 O GLY A 73 15.194 -9.453 2.410 1.00 0.00 O ATOM 0 H GLY A 73 18.986 -8.563 2.579 1.00 0.00 H new ATOM 0 HA2 GLY A 73 17.689 -10.402 1.432 1.00 0.00 H new ATOM 0 HA3 GLY A 73 17.230 -10.909 3.045 1.00 0.00 H new ATOM 1089 N PHE A 74 16.680 -7.763 2.431 1.00 0.00 N ATOM 1090 CA PHE A 74 15.654 -6.728 2.410 1.00 0.00 C ATOM 1091 C PHE A 74 14.697 -6.961 1.248 1.00 0.00 C ATOM 1092 O PHE A 74 14.947 -7.811 0.398 1.00 0.00 O ATOM 1093 CB PHE A 74 16.290 -5.341 2.297 1.00 0.00 C ATOM 1094 CG PHE A 74 16.854 -4.828 3.593 1.00 0.00 C ATOM 1095 CD1 PHE A 74 17.837 -5.536 4.267 1.00 0.00 C ATOM 1096 CD2 PHE A 74 16.404 -3.635 4.134 1.00 0.00 C ATOM 1097 CE1 PHE A 74 18.359 -5.063 5.457 1.00 0.00 C ATOM 1098 CE2 PHE A 74 16.922 -3.158 5.324 1.00 0.00 C ATOM 1099 CZ PHE A 74 17.901 -3.873 5.986 1.00 0.00 C ATOM 0 H PHE A 74 17.637 -7.411 2.448 1.00 0.00 H new ATOM 0 HA PHE A 74 15.095 -6.777 3.345 1.00 0.00 H new ATOM 0 HB2 PHE A 74 17.086 -5.375 1.553 1.00 0.00 H new ATOM 0 HB3 PHE A 74 15.542 -4.637 1.932 1.00 0.00 H new ATOM 0 HD1 PHE A 74 18.199 -6.468 3.858 1.00 0.00 H new ATOM 0 HD2 PHE A 74 15.640 -3.071 3.620 1.00 0.00 H new ATOM 0 HE1 PHE A 74 19.125 -5.624 5.972 1.00 0.00 H new ATOM 0 HE2 PHE A 74 16.561 -2.227 5.736 1.00 0.00 H new ATOM 0 HZ PHE A 74 18.307 -3.502 6.915 1.00 0.00 H new ATOM 1109 N LYS A 75 13.600 -6.210 1.216 1.00 0.00 N ATOM 1110 CA LYS A 75 12.614 -6.355 0.148 1.00 0.00 C ATOM 1111 C LYS A 75 11.921 -5.026 -0.152 1.00 0.00 C ATOM 1112 O LYS A 75 10.973 -4.642 0.534 1.00 0.00 O ATOM 1113 CB LYS A 75 11.565 -7.405 0.524 1.00 0.00 C ATOM 1114 CG LYS A 75 12.141 -8.670 1.145 1.00 0.00 C ATOM 1115 CD LYS A 75 11.587 -9.918 0.474 1.00 0.00 C ATOM 1116 CE LYS A 75 11.743 -11.144 1.359 1.00 0.00 C ATOM 1117 NZ LYS A 75 13.126 -11.694 1.306 1.00 0.00 N ATOM 0 H LYS A 75 13.372 -5.500 1.911 1.00 0.00 H new ATOM 0 HA LYS A 75 13.145 -6.679 -0.747 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.857 -6.960 1.224 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.003 -7.676 -0.369 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.227 -8.659 1.056 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.908 -8.693 2.210 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.533 -9.769 0.240 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.103 -10.083 -0.472 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.495 -10.883 2.388 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.035 -11.911 1.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.183 -12.549 1.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.366 -11.935 0.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.796 -10.983 1.662 1.00 0.00 H new ATOM 1131 N VAL A 76 12.391 -4.336 -1.187 1.00 0.00 N ATOM 1132 CA VAL A 76 11.807 -3.055 -1.587 1.00 0.00 C ATOM 1133 C VAL A 76 10.761 -3.257 -2.624 1.00 0.00 C ATOM 1134 O VAL A 76 10.262 -2.303 -3.221 1.00 0.00 O ATOM 1135 CB VAL A 76 12.857 -2.123 -2.199 1.00 0.00 C ATOM 1136 CG1 VAL A 76 13.832 -1.657 -1.130 1.00 0.00 C ATOM 1137 CG2 VAL A 76 13.570 -2.909 -3.294 1.00 0.00 C ATOM 0 H VAL A 76 13.174 -4.640 -1.765 1.00 0.00 H new ATOM 0 HA VAL A 76 11.389 -2.613 -0.683 1.00 0.00 H new ATOM 0 HB VAL A 76 12.394 -1.230 -2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.574 -0.995 -1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.289 -1.121 -0.352 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.333 -2.521 -0.693 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.329 -2.280 -3.758 1.00 0.00 H new ATOM 0 HG22 VAL A 76 14.044 -3.789 -2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.847 -3.221 -4.048 1.00 0.00 H new ATOM 1147 N GLU A 77 10.451 -4.502 -2.844 1.00 0.00 N ATOM 1148 CA GLU A 77 9.467 -4.849 -3.849 1.00 0.00 C ATOM 1149 C GLU A 77 9.526 -3.760 -4.909 1.00 0.00 C ATOM 1150 O GLU A 77 8.502 -3.238 -5.336 1.00 0.00 O ATOM 1151 CB GLU A 77 8.082 -4.915 -3.194 1.00 0.00 C ATOM 1152 CG GLU A 77 8.101 -4.652 -1.695 1.00 0.00 C ATOM 1153 CD GLU A 77 8.382 -5.904 -0.888 1.00 0.00 C ATOM 1154 OE1 GLU A 77 9.540 -6.370 -0.903 1.00 0.00 O ATOM 1155 OE2 GLU A 77 7.446 -6.417 -0.240 1.00 0.00 O ATOM 0 H GLU A 77 10.858 -5.295 -2.349 1.00 0.00 H new ATOM 0 HA GLU A 77 9.664 -5.821 -4.301 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.428 -4.187 -3.673 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.650 -5.899 -3.376 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.859 -3.902 -1.471 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.141 -4.236 -1.391 1.00 0.00 H new ATOM 1162 N ASN A 78 10.773 -3.384 -5.252 1.00 0.00 N ATOM 1163 CA ASN A 78 11.047 -2.276 -6.175 1.00 0.00 C ATOM 1164 C ASN A 78 9.744 -1.818 -6.753 1.00 0.00 C ATOM 1165 O ASN A 78 9.474 -1.939 -7.949 1.00 0.00 O ATOM 1166 CB ASN A 78 12.040 -2.604 -7.288 1.00 0.00 C ATOM 1167 CG ASN A 78 12.367 -4.060 -7.386 1.00 0.00 C ATOM 1168 OD1 ASN A 78 12.395 -4.769 -6.385 1.00 0.00 O ATOM 1169 ND2 ASN A 78 12.643 -4.506 -8.603 1.00 0.00 N ATOM 0 H ASN A 78 11.613 -3.840 -4.896 1.00 0.00 H new ATOM 0 HA ASN A 78 11.530 -1.488 -5.598 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.631 -2.267 -8.240 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.960 -2.044 -7.120 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.894 -5.485 -8.743 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.604 -3.871 -9.400 1.00 0.00 H new ATOM 1176 N HIS A 79 8.925 -1.340 -5.849 1.00 0.00 N ATOM 1177 CA HIS A 79 7.600 -0.898 -6.168 1.00 0.00 C ATOM 1178 C HIS A 79 7.499 -0.353 -7.563 1.00 0.00 C ATOM 1179 O HIS A 79 7.867 0.784 -7.853 1.00 0.00 O ATOM 1180 CB HIS A 79 7.114 0.101 -5.141 1.00 0.00 C ATOM 1181 CG HIS A 79 7.067 -0.513 -3.799 1.00 0.00 C ATOM 1182 ND1 HIS A 79 6.644 0.119 -2.664 1.00 0.00 N ATOM 1183 CD2 HIS A 79 7.430 -1.756 -3.435 1.00 0.00 C ATOM 1184 CE1 HIS A 79 6.768 -0.749 -1.650 1.00 0.00 C ATOM 1185 NE2 HIS A 79 7.242 -1.907 -2.068 1.00 0.00 N ATOM 0 H HIS A 79 9.167 -1.248 -4.862 1.00 0.00 H new ATOM 0 HA HIS A 79 6.946 -1.770 -6.134 1.00 0.00 H new ATOM 0 HB2 HIS A 79 7.775 0.967 -5.127 1.00 0.00 H new ATOM 0 HB3 HIS A 79 6.123 0.461 -5.417 1.00 0.00 H new ATOM 0 HD1 HIS A 79 6.297 1.076 -2.600 1.00 0.00 H new ATOM 0 HD2 HIS A 79 7.808 -2.517 -4.102 1.00 0.00 H new ATOM 0 HE1 HIS A 79 6.513 -0.529 -0.624 1.00 0.00 H new ATOM 1193 N THR A 80 6.963 -1.192 -8.410 1.00 0.00 N ATOM 1194 CA THR A 80 6.752 -0.850 -9.799 1.00 0.00 C ATOM 1195 C THR A 80 5.401 -0.168 -9.930 1.00 0.00 C ATOM 1196 O THR A 80 5.121 0.519 -10.912 1.00 0.00 O ATOM 1197 CB THR A 80 6.835 -2.107 -10.661 1.00 0.00 C ATOM 1198 OG1 THR A 80 5.547 -2.645 -10.897 1.00 0.00 O ATOM 1199 CG2 THR A 80 7.687 -3.188 -10.026 1.00 0.00 C ATOM 0 H THR A 80 6.659 -2.133 -8.160 1.00 0.00 H new ATOM 0 HA THR A 80 7.525 -0.165 -10.146 1.00 0.00 H new ATOM 0 HB THR A 80 7.297 -1.797 -11.599 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.060 -2.711 -10.049 1.00 0.00 H new ATOM 0 HG21 THR A 80 7.714 -4.061 -10.679 1.00 0.00 H new ATOM 0 HG22 THR A 80 8.700 -2.813 -9.879 1.00 0.00 H new ATOM 0 HG23 THR A 80 7.261 -3.468 -9.063 1.00 0.00 H new ATOM 1207 N ALA A 81 4.577 -0.353 -8.901 1.00 0.00 N ATOM 1208 CA ALA A 81 3.256 0.249 -8.848 1.00 0.00 C ATOM 1209 C ALA A 81 2.743 0.236 -7.414 1.00 0.00 C ATOM 1210 O ALA A 81 2.818 -0.788 -6.742 1.00 0.00 O ATOM 1211 CB ALA A 81 2.299 -0.493 -9.770 1.00 0.00 C ATOM 0 H ALA A 81 4.809 -0.922 -8.087 1.00 0.00 H new ATOM 0 HA ALA A 81 3.320 1.283 -9.188 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.313 -0.031 -9.720 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.670 -0.446 -10.794 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.227 -1.535 -9.458 1.00 0.00 H new ATOM 1217 N CYS A 82 2.232 1.369 -6.941 1.00 0.00 N ATOM 1218 CA CYS A 82 1.714 1.453 -5.577 1.00 0.00 C ATOM 1219 C CYS A 82 0.277 1.953 -5.574 1.00 0.00 C ATOM 1220 O CYS A 82 -0.038 2.980 -6.175 1.00 0.00 O ATOM 1221 CB CYS A 82 2.589 2.355 -4.708 1.00 0.00 C ATOM 1222 SG CYS A 82 3.364 1.485 -3.301 1.00 0.00 S ATOM 0 H CYS A 82 2.165 2.235 -7.476 1.00 0.00 H new ATOM 0 HA CYS A 82 1.734 0.449 -5.154 1.00 0.00 H new ATOM 0 HB2 CYS A 82 3.370 2.795 -5.327 1.00 0.00 H new ATOM 0 HB3 CYS A 82 1.983 3.177 -4.327 1.00 0.00 H new ATOM 1227 N HIS A 83 -0.592 1.211 -4.899 1.00 0.00 N ATOM 1228 CA HIS A 83 -2.004 1.567 -4.819 1.00 0.00 C ATOM 1229 C HIS A 83 -2.518 1.463 -3.388 1.00 0.00 C ATOM 1230 O HIS A 83 -2.390 0.420 -2.747 1.00 0.00 O ATOM 1231 CB HIS A 83 -2.833 0.659 -5.731 1.00 0.00 C ATOM 1232 CG HIS A 83 -2.915 -0.760 -5.253 1.00 0.00 C ATOM 1233 ND1 HIS A 83 -3.974 -1.597 -5.546 1.00 0.00 N ATOM 1234 CD2 HIS A 83 -2.060 -1.493 -4.499 1.00 0.00 C ATOM 1235 CE1 HIS A 83 -3.765 -2.780 -4.994 1.00 0.00 C ATOM 1236 NE2 HIS A 83 -2.612 -2.742 -4.355 1.00 0.00 N ATOM 0 H HIS A 83 -0.344 0.358 -4.398 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.106 2.601 -5.148 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -3.841 1.064 -5.814 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.401 0.672 -6.732 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -4.790 -1.342 -6.102 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.119 -1.157 -4.088 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -4.426 -3.632 -5.056 1.00 0.00 H new ATOM 1245 N CYS A 84 -3.110 2.546 -2.896 1.00 0.00 N ATOM 1246 CA CYS A 84 -3.654 2.567 -1.545 1.00 0.00 C ATOM 1247 C CYS A 84 -4.567 1.370 -1.321 1.00 0.00 C ATOM 1248 O CYS A 84 -4.932 0.675 -2.269 1.00 0.00 O ATOM 1249 CB CYS A 84 -4.429 3.862 -1.305 1.00 0.00 C ATOM 1250 SG CYS A 84 -3.373 5.326 -1.068 1.00 0.00 S ATOM 0 H CYS A 84 -3.225 3.418 -3.412 1.00 0.00 H new ATOM 0 HA CYS A 84 -2.824 2.514 -0.840 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -5.092 4.039 -2.152 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.061 3.737 -0.426 1.00 0.00 H new ATOM 1255 N SER A 85 -4.929 1.138 -0.062 1.00 0.00 N ATOM 1256 CA SER A 85 -5.801 0.026 0.309 1.00 0.00 C ATOM 1257 C SER A 85 -5.244 -0.702 1.526 1.00 0.00 C ATOM 1258 O SER A 85 -4.031 -0.858 1.664 1.00 0.00 O ATOM 1259 CB SER A 85 -5.961 -0.957 -0.854 1.00 0.00 C ATOM 1260 OG SER A 85 -6.657 -2.122 -0.445 1.00 0.00 O ATOM 0 H SER A 85 -4.628 1.712 0.726 1.00 0.00 H new ATOM 0 HA SER A 85 -6.781 0.436 0.554 1.00 0.00 H new ATOM 0 HB2 SER A 85 -6.500 -0.475 -1.670 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.979 -1.232 -1.239 1.00 0.00 H new ATOM 0 HG SER A 85 -6.748 -2.733 -1.206 1.00 0.00 H new ATOM 1266 N THR A 86 -6.135 -1.146 2.406 1.00 0.00 N ATOM 1267 CA THR A 86 -5.728 -1.859 3.611 1.00 0.00 C ATOM 1268 C THR A 86 -4.466 -2.677 3.352 1.00 0.00 C ATOM 1269 O THR A 86 -4.386 -3.416 2.371 1.00 0.00 O ATOM 1270 CB THR A 86 -6.857 -2.773 4.093 1.00 0.00 C ATOM 1271 OG1 THR A 86 -7.798 -2.045 4.861 1.00 0.00 O ATOM 1272 CG2 THR A 86 -6.372 -3.930 4.938 1.00 0.00 C ATOM 0 H THR A 86 -7.143 -1.025 2.307 1.00 0.00 H new ATOM 0 HA THR A 86 -5.512 -1.125 4.387 1.00 0.00 H new ATOM 0 HB THR A 86 -7.311 -3.173 3.186 1.00 0.00 H new ATOM 0 HG1 THR A 86 -8.685 -2.448 4.759 1.00 0.00 H new ATOM 0 HG21 THR A 86 -7.223 -4.537 5.246 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.682 -4.541 4.356 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.861 -3.546 5.821 1.00 0.00 H new ATOM 1280 N CYS A 87 -3.481 -2.536 4.232 1.00 0.00 N ATOM 1281 CA CYS A 87 -2.223 -3.259 4.088 1.00 0.00 C ATOM 1282 C CYS A 87 -2.012 -4.234 5.242 1.00 0.00 C ATOM 1283 O CYS A 87 -2.871 -4.379 6.111 1.00 0.00 O ATOM 1284 CB CYS A 87 -1.052 -2.277 4.016 1.00 0.00 C ATOM 1285 SG CYS A 87 -1.012 -1.064 5.375 1.00 0.00 S ATOM 0 H CYS A 87 -3.529 -1.929 5.051 1.00 0.00 H new ATOM 0 HA CYS A 87 -2.270 -3.831 3.161 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -0.119 -2.840 4.019 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -1.098 -1.742 3.067 1.00 0.00 H new ATOM 1290 N TYR A 88 -0.862 -4.901 5.238 1.00 0.00 N ATOM 1291 CA TYR A 88 -0.532 -5.866 6.279 1.00 0.00 C ATOM 1292 C TYR A 88 0.685 -5.409 7.077 1.00 0.00 C ATOM 1293 O TYR A 88 1.744 -5.135 6.511 1.00 0.00 O ATOM 1294 CB TYR A 88 -0.267 -7.241 5.661 1.00 0.00 C ATOM 1295 CG TYR A 88 -1.035 -7.483 4.382 1.00 0.00 C ATOM 1296 CD1 TYR A 88 -2.351 -7.060 4.251 1.00 0.00 C ATOM 1297 CD2 TYR A 88 -0.444 -8.130 3.304 1.00 0.00 C ATOM 1298 CE1 TYR A 88 -3.057 -7.274 3.083 1.00 0.00 C ATOM 1299 CE2 TYR A 88 -1.143 -8.348 2.132 1.00 0.00 C ATOM 1300 CZ TYR A 88 -2.449 -7.918 2.027 1.00 0.00 C ATOM 1301 OH TYR A 88 -3.149 -8.132 0.862 1.00 0.00 O ATOM 0 H TYR A 88 -0.142 -4.790 4.524 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.382 -5.938 6.958 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.800 -7.341 5.460 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.529 -8.013 6.385 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.831 -6.555 5.076 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.579 -8.468 3.383 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.080 -6.938 2.998 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.669 -8.852 1.303 1.00 0.00 H new ATOM 0 HH TYR A 88 -2.576 -8.597 0.217 1.00 0.00 H new ATOM 1311 N TYR A 89 0.526 -5.328 8.393 1.00 0.00 N ATOM 1312 CA TYR A 89 1.611 -4.903 9.268 1.00 0.00 C ATOM 1313 C TYR A 89 2.691 -5.976 9.363 1.00 0.00 C ATOM 1314 O TYR A 89 3.829 -5.761 8.949 1.00 0.00 O ATOM 1315 CB TYR A 89 1.070 -4.577 10.661 1.00 0.00 C ATOM 1316 CG TYR A 89 0.373 -3.239 10.736 1.00 0.00 C ATOM 1317 CD1 TYR A 89 0.834 -2.157 10.001 1.00 0.00 C ATOM 1318 CD2 TYR A 89 -0.746 -3.059 11.540 1.00 0.00 C ATOM 1319 CE1 TYR A 89 0.201 -0.930 10.063 1.00 0.00 C ATOM 1320 CE2 TYR A 89 -1.385 -1.836 11.608 1.00 0.00 C ATOM 1321 CZ TYR A 89 -0.908 -0.775 10.867 1.00 0.00 C ATOM 1322 OH TYR A 89 -1.540 0.446 10.933 1.00 0.00 O ATOM 0 H TYR A 89 -0.344 -5.551 8.877 1.00 0.00 H new ATOM 0 HA TYR A 89 2.059 -4.006 8.841 1.00 0.00 H new ATOM 0 HB2 TYR A 89 0.373 -5.359 10.964 1.00 0.00 H new ATOM 0 HB3 TYR A 89 1.894 -4.590 11.375 1.00 0.00 H new ATOM 0 HD1 TYR A 89 1.702 -2.275 9.370 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -1.122 -3.888 12.121 1.00 0.00 H new ATOM 0 HE1 TYR A 89 0.573 -0.097 9.485 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -2.253 -1.711 12.238 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.304 0.386 11.543 1.00 0.00 H new ATOM 1332 N HIS A 90 2.328 -7.131 9.912 1.00 0.00 N ATOM 1333 CA HIS A 90 3.271 -8.233 10.060 1.00 0.00 C ATOM 1334 C HIS A 90 3.041 -9.295 8.989 1.00 0.00 C ATOM 1335 O HIS A 90 3.856 -9.462 8.082 1.00 0.00 O ATOM 1336 CB HIS A 90 3.146 -8.857 11.453 1.00 0.00 C ATOM 1337 CG HIS A 90 4.202 -9.878 11.749 1.00 0.00 C ATOM 1338 ND1 HIS A 90 5.140 -10.279 10.821 1.00 0.00 N ATOM 1339 CD2 HIS A 90 4.466 -10.582 12.876 1.00 0.00 C ATOM 1340 CE1 HIS A 90 5.934 -11.186 11.363 1.00 0.00 C ATOM 1341 NE2 HIS A 90 5.547 -11.386 12.609 1.00 0.00 N ATOM 0 H HIS A 90 1.390 -7.327 10.261 1.00 0.00 H new ATOM 0 HA HIS A 90 4.278 -7.835 9.938 1.00 0.00 H new ATOM 0 HB2 HIS A 90 3.196 -8.067 12.202 1.00 0.00 H new ATOM 0 HB3 HIS A 90 2.165 -9.323 11.547 1.00 0.00 H new ATOM 0 HD2 HIS A 90 3.927 -10.522 13.810 1.00 0.00 H new ATOM 0 HE1 HIS A 90 6.759 -11.679 10.870 1.00 0.00 H new ATOM 0 HE2 HIS A 90 5.981 -12.033 13.267 1.00 0.00 H new ATOM 1350 N LYS A 91 1.926 -10.009 9.100 1.00 0.00 N ATOM 1351 CA LYS A 91 1.589 -11.054 8.141 1.00 0.00 C ATOM 1352 C LYS A 91 0.087 -11.320 8.135 1.00 0.00 C ATOM 1353 O LYS A 91 -0.572 -11.184 7.105 1.00 0.00 O ATOM 1354 CB LYS A 91 2.344 -12.345 8.466 1.00 0.00 C ATOM 1355 CG LYS A 91 2.929 -12.379 9.869 1.00 0.00 C ATOM 1356 CD LYS A 91 2.273 -13.454 10.718 1.00 0.00 C ATOM 1357 CE LYS A 91 3.300 -14.219 11.536 1.00 0.00 C ATOM 1358 NZ LYS A 91 2.658 -15.093 12.555 1.00 0.00 N ATOM 0 H LYS A 91 1.240 -9.883 9.845 1.00 0.00 H new ATOM 0 HA LYS A 91 1.887 -10.710 7.151 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.667 -13.191 8.344 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.150 -12.475 7.744 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.002 -12.562 9.813 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.796 -11.407 10.344 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.542 -12.997 11.385 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.729 -14.146 10.075 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.914 -14.827 10.871 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.968 -13.514 12.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 3.392 -15.597 13.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.092 -14.511 13.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.040 -15.783 12.081 1.00 0.00 H new ATOM 1372 N SER A 92 -0.447 -11.697 9.292 1.00 0.00 N ATOM 1373 CA SER A 92 -1.872 -11.979 9.420 1.00 0.00 C ATOM 1374 C SER A 92 -2.448 -11.305 10.662 1.00 0.00 C ATOM 1375 O SER A 92 -1.763 -11.309 11.707 1.00 0.00 O ATOM 1376 CB SER A 92 -2.114 -13.488 9.485 1.00 0.00 C ATOM 1377 OG SER A 92 -2.252 -13.926 10.826 1.00 0.00 O ATOM 1378 OXT SER A 92 -3.578 -10.780 10.580 1.00 0.00 O ATOM 0 H SER A 92 0.085 -11.814 10.154 1.00 0.00 H new ATOM 0 HA SER A 92 -2.377 -11.577 8.541 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.013 -13.740 8.923 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.285 -14.013 9.011 1.00 0.00 H new ATOM 0 HG SER A 92 -2.407 -14.894 10.840 1.00 0.00 H new TER 1384 SER A 92