USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 803 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 89 GLN : amide:sc= 0.225 K(o=0.46,f=-1.4) USER MOD Set 1.2: A 91 LYS NZ :NH3+ 135:sc= 0.236 (180deg=-0.154) USER MOD Set 2.1: A 41 LYS NZ :NH3+ 170:sc= 1.86 (180deg=1.65) USER MOD Set 2.2: A 78 TYR OH : rot 48:sc= 0.947 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -146:sc= 1.12 (180deg=-0.144) USER MOD Set 3.2: A 8 GLN : amide:sc= 0.379 K(o=1.6,f=-5.2) USER MOD Set 3.3: A 28 SER OG : rot 180:sc= 0.0564 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -167:sc=-0.00978 (180deg=-0.253) USER MOD Single : A 2 GLN : amide:sc= -0.113 K(o=-0.11,f=-0.98) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0.189 USER MOD Single : A 13 HIS : no HD1:sc= -0.0656 X(o=-0.066,f=-0.33) USER MOD Single : A 17 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.032) USER MOD Single : A 19 LYS NZ :NH3+ 173:sc= 1.11 (180deg=1.07) USER MOD Single : A 20 SER OG : rot 42:sc= 0.0165 USER MOD Single : A 21 ASN : amide:sc= 0.599 K(o=0.6,f=-0.6) USER MOD Single : A 24 ASN : amide:sc= -0.839 K(o=-0.84,f=-0.1) USER MOD Single : A 26 TYR OH : rot 12:sc= 0.137 USER MOD Single : A 31 HIS : no HD1:sc= -0.767 K(o=-0.77,f=-1.6) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.386 X(o=-0.39,f=-0.34) USER MOD Single : A 48 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0209) USER MOD Single : A 51 HIS : no HD1:sc= -0.0293 X(o=-0.029,f=0) USER MOD Single : A 52 SER OG : rot 77:sc= 0.964 USER MOD Single : A 55 SER OG : rot -62:sc= 0.0433 USER MOD Single : A 57 SER OG : rot 170:sc= 0.523 USER MOD Single : A 58 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0797) USER MOD Single : A 61 SER OG : rot 180:sc= 0.169 USER MOD Single : A 63 TYR OH : rot 165:sc= 0 USER MOD Single : A 66 TYR OH : rot 15:sc= -1.12 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 74:sc= 0.758 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -129:sc= 1.67 (180deg=-0.275) USER MOD Single : A 83 ASN : amide:sc= 0.297 X(o=0.3,f=0) USER MOD Single : A 84 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-6.7!) USER MOD Single : A 86 THR OG1 : rot -39:sc= -0.113 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 174:sc= 0 (180deg=-0.0335) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -8.476 -23.878 -2.817 1.00 0.00 N ATOM 2 CA MET A 0 -7.362 -23.277 -3.573 1.00 0.00 C ATOM 3 C MET A 0 -6.299 -22.726 -2.618 1.00 0.00 C ATOM 4 O MET A 0 -6.638 -22.263 -1.530 1.00 0.00 O ATOM 5 CB MET A 0 -7.858 -22.177 -4.523 1.00 0.00 C ATOM 6 CG MET A 0 -8.973 -22.647 -5.467 1.00 0.00 C ATOM 7 SD MET A 0 -9.501 -21.395 -6.664 1.00 0.00 S ATOM 8 CE MET A 0 -10.866 -22.280 -7.460 1.00 0.00 C ATOM 0 H1 MET A 0 -9.072 -24.435 -3.462 1.00 0.00 H new ATOM 0 H2 MET A 0 -8.096 -24.498 -2.073 1.00 0.00 H new ATOM 0 H3 MET A 0 -9.046 -23.125 -2.382 1.00 0.00 H new ATOM 0 HA MET A 0 -6.911 -24.061 -4.181 1.00 0.00 H new ATOM 0 HB2 MET A 0 -8.221 -21.335 -3.934 1.00 0.00 H new ATOM 0 HB3 MET A 0 -7.019 -21.813 -5.116 1.00 0.00 H new ATOM 0 HG2 MET A 0 -8.630 -23.529 -6.007 1.00 0.00 H new ATOM 0 HG3 MET A 0 -9.834 -22.952 -4.872 1.00 0.00 H new ATOM 0 HE1 MET A 0 -11.309 -21.649 -8.230 1.00 0.00 H new ATOM 0 HE2 MET A 0 -10.490 -23.197 -7.914 1.00 0.00 H new ATOM 0 HE3 MET A 0 -11.622 -22.528 -6.715 1.00 0.00 H new ATOM 20 N ILE A 1 -5.022 -22.781 -3.017 1.00 0.00 N ATOM 21 CA ILE A 1 -3.886 -22.405 -2.181 1.00 0.00 C ATOM 22 C ILE A 1 -3.586 -20.915 -2.409 1.00 0.00 C ATOM 23 O ILE A 1 -2.512 -20.544 -2.881 1.00 0.00 O ATOM 24 CB ILE A 1 -2.688 -23.343 -2.454 1.00 0.00 C ATOM 25 CG1 ILE A 1 -3.071 -24.836 -2.359 1.00 0.00 C ATOM 26 CG2 ILE A 1 -1.563 -23.107 -1.433 1.00 0.00 C ATOM 27 CD1 ILE A 1 -3.507 -25.454 -3.693 1.00 0.00 C ATOM 0 H ILE A 1 -4.749 -23.095 -3.948 1.00 0.00 H new ATOM 0 HA ILE A 1 -4.112 -22.529 -1.122 1.00 0.00 H new ATOM 0 HB ILE A 1 -2.361 -23.111 -3.468 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -2.219 -25.395 -1.972 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -3.880 -24.948 -1.637 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -0.731 -23.779 -1.646 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -1.221 -22.074 -1.500 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -1.937 -23.301 -0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -3.759 -26.504 -3.543 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -4.379 -24.922 -4.073 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -2.693 -25.376 -4.413 1.00 0.00 H new ATOM 39 N GLN A 2 -4.578 -20.067 -2.108 1.00 0.00 N ATOM 40 CA GLN A 2 -4.585 -18.648 -2.443 1.00 0.00 C ATOM 41 C GLN A 2 -4.508 -17.822 -1.163 1.00 0.00 C ATOM 42 O GLN A 2 -5.540 -17.423 -0.625 1.00 0.00 O ATOM 43 CB GLN A 2 -5.867 -18.335 -3.227 1.00 0.00 C ATOM 44 CG GLN A 2 -5.807 -18.989 -4.615 1.00 0.00 C ATOM 45 CD GLN A 2 -7.108 -18.847 -5.400 1.00 0.00 C ATOM 46 OE1 GLN A 2 -8.180 -18.671 -4.827 1.00 0.00 O ATOM 47 NE2 GLN A 2 -7.012 -18.935 -6.728 1.00 0.00 N ATOM 0 H GLN A 2 -5.418 -20.363 -1.611 1.00 0.00 H new ATOM 0 HA GLN A 2 -3.723 -18.396 -3.060 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -6.736 -18.702 -2.680 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -5.986 -17.256 -3.329 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.994 -18.541 -5.186 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -5.572 -20.047 -4.502 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -6.102 -19.082 -7.165 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -7.849 -18.856 -7.306 1.00 0.00 H new ATOM 56 N ARG A 3 -3.292 -17.566 -0.668 1.00 0.00 N ATOM 57 CA ARG A 3 -3.113 -16.800 0.555 1.00 0.00 C ATOM 58 C ARG A 3 -3.402 -15.323 0.272 1.00 0.00 C ATOM 59 O ARG A 3 -2.804 -14.720 -0.618 1.00 0.00 O ATOM 60 CB ARG A 3 -1.729 -17.058 1.162 1.00 0.00 C ATOM 61 CG ARG A 3 -1.703 -18.480 1.748 1.00 0.00 C ATOM 62 CD ARG A 3 -0.322 -18.912 2.244 1.00 0.00 C ATOM 63 NE ARG A 3 0.189 -18.054 3.319 1.00 0.00 N ATOM 64 CZ ARG A 3 1.454 -18.108 3.763 1.00 0.00 C ATOM 65 NH1 ARG A 3 2.326 -18.971 3.220 1.00 0.00 N ATOM 66 NH2 ARG A 3 1.851 -17.301 4.756 1.00 0.00 N ATOM 0 H ARG A 3 -2.423 -17.880 -1.100 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.825 -17.125 1.314 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -0.957 -16.949 0.401 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -1.515 -16.325 1.940 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -2.411 -18.536 2.575 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -2.044 -19.183 0.988 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -0.374 -19.941 2.600 1.00 0.00 H new ATOM 0 HD3 ARG A 3 0.379 -18.899 1.410 1.00 0.00 H new ATOM 0 HE ARG A 3 -0.448 -17.384 3.750 1.00 0.00 H new ATOM 0 HH11 ARG A 3 2.028 -19.590 2.466 1.00 0.00 H new ATOM 0 HH12 ARG A 3 3.287 -19.008 3.561 1.00 0.00 H new ATOM 0 HH21 ARG A 3 1.191 -16.645 5.175 1.00 0.00 H new ATOM 0 HH22 ARG A 3 2.813 -17.342 5.093 1.00 0.00 H new ATOM 80 N THR A 4 -4.373 -14.774 1.009 1.00 0.00 N ATOM 81 CA THR A 4 -4.914 -13.437 0.826 1.00 0.00 C ATOM 82 C THR A 4 -3.905 -12.389 1.322 1.00 0.00 C ATOM 83 O THR A 4 -3.236 -12.627 2.327 1.00 0.00 O ATOM 84 CB THR A 4 -6.233 -13.360 1.615 1.00 0.00 C ATOM 85 OG1 THR A 4 -7.090 -14.401 1.190 1.00 0.00 O ATOM 86 CG2 THR A 4 -6.979 -12.030 1.471 1.00 0.00 C ATOM 0 H THR A 4 -4.817 -15.275 1.779 1.00 0.00 H new ATOM 0 HA THR A 4 -5.102 -13.231 -0.228 1.00 0.00 H new ATOM 0 HB THR A 4 -5.960 -13.455 2.666 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.931 -14.357 1.691 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.896 -12.062 2.059 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.347 -11.218 1.829 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.226 -11.863 0.423 1.00 0.00 H new ATOM 94 N PRO A 5 -3.789 -11.229 0.652 1.00 0.00 N ATOM 95 CA PRO A 5 -2.951 -10.128 1.101 1.00 0.00 C ATOM 96 C PRO A 5 -3.454 -9.542 2.423 1.00 0.00 C ATOM 97 O PRO A 5 -4.499 -8.897 2.461 1.00 0.00 O ATOM 98 CB PRO A 5 -2.982 -9.094 -0.030 1.00 0.00 C ATOM 99 CG PRO A 5 -4.292 -9.383 -0.754 1.00 0.00 C ATOM 100 CD PRO A 5 -4.417 -10.897 -0.617 1.00 0.00 C ATOM 0 HA PRO A 5 -1.932 -10.459 1.303 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.956 -8.076 0.358 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.125 -9.203 -0.695 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -5.133 -8.863 -0.295 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.256 -9.071 -1.798 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.462 -11.207 -0.630 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.923 -11.407 -1.444 1.00 0.00 H new ATOM 108 N LYS A 6 -2.679 -9.740 3.496 1.00 0.00 N ATOM 109 CA LYS A 6 -2.841 -9.040 4.756 1.00 0.00 C ATOM 110 C LYS A 6 -2.246 -7.641 4.595 1.00 0.00 C ATOM 111 O LYS A 6 -1.029 -7.494 4.490 1.00 0.00 O ATOM 112 CB LYS A 6 -2.130 -9.809 5.876 1.00 0.00 C ATOM 113 CG LYS A 6 -2.477 -9.180 7.230 1.00 0.00 C ATOM 114 CD LYS A 6 -1.422 -9.539 8.282 1.00 0.00 C ATOM 115 CE LYS A 6 -1.739 -8.925 9.651 1.00 0.00 C ATOM 116 NZ LYS A 6 -1.817 -7.453 9.601 1.00 0.00 N ATOM 0 H LYS A 6 -1.908 -10.408 3.503 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.895 -8.965 5.022 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.433 -10.856 5.861 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.052 -9.787 5.719 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.541 -8.097 7.127 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.457 -9.528 7.557 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.360 -10.623 8.377 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.444 -9.192 7.947 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.686 -9.324 10.015 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.972 -9.222 10.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.463 -7.056 10.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.237 -7.101 8.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.806 -7.162 9.461 1.00 0.00 H new ATOM 130 N ILE A 7 -3.110 -6.624 4.578 1.00 0.00 N ATOM 131 CA ILE A 7 -2.725 -5.237 4.387 1.00 0.00 C ATOM 132 C ILE A 7 -2.566 -4.566 5.754 1.00 0.00 C ATOM 133 O ILE A 7 -3.417 -4.745 6.625 1.00 0.00 O ATOM 134 CB ILE A 7 -3.783 -4.497 3.547 1.00 0.00 C ATOM 135 CG1 ILE A 7 -4.317 -5.309 2.353 1.00 0.00 C ATOM 136 CG2 ILE A 7 -3.170 -3.201 3.005 1.00 0.00 C ATOM 137 CD1 ILE A 7 -5.663 -5.983 2.640 1.00 0.00 C ATOM 0 H ILE A 7 -4.115 -6.751 4.700 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.777 -5.196 3.851 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.626 -4.312 4.212 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.424 -4.650 1.491 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.586 -6.071 2.083 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.911 -2.669 2.409 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.855 -2.572 3.837 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.307 -3.439 2.383 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.986 -6.540 1.760 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.556 -6.666 3.483 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.406 -5.223 2.882 1.00 0.00 H new ATOM 149 N GLN A 8 -1.503 -3.773 5.937 1.00 0.00 N ATOM 150 CA GLN A 8 -1.332 -2.880 7.058 1.00 0.00 C ATOM 151 C GLN A 8 -0.838 -1.532 6.518 1.00 0.00 C ATOM 152 O GLN A 8 0.358 -1.355 6.294 1.00 0.00 O ATOM 153 CB GLN A 8 -0.386 -3.521 8.083 1.00 0.00 C ATOM 154 CG GLN A 8 0.850 -4.257 7.538 1.00 0.00 C ATOM 155 CD GLN A 8 0.572 -5.649 6.965 1.00 0.00 C ATOM 156 OE1 GLN A 8 -0.294 -6.371 7.454 1.00 0.00 O ATOM 157 NE2 GLN A 8 1.327 -6.036 5.935 1.00 0.00 N ATOM 0 H GLN A 8 -0.722 -3.744 5.281 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.269 -2.700 7.585 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.042 -2.739 8.760 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.963 -4.227 8.680 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.306 -3.644 6.760 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.582 -4.350 8.340 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.036 -5.407 5.557 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.195 -6.961 5.525 1.00 0.00 H new ATOM 166 N VAL A 9 -1.763 -0.588 6.286 1.00 0.00 N ATOM 167 CA VAL A 9 -1.451 0.736 5.755 1.00 0.00 C ATOM 168 C VAL A 9 -1.344 1.748 6.894 1.00 0.00 C ATOM 169 O VAL A 9 -2.330 1.995 7.586 1.00 0.00 O ATOM 170 CB VAL A 9 -2.517 1.207 4.754 1.00 0.00 C ATOM 171 CG1 VAL A 9 -2.035 2.501 4.091 1.00 0.00 C ATOM 172 CG2 VAL A 9 -2.816 0.158 3.683 1.00 0.00 C ATOM 0 H VAL A 9 -2.757 -0.730 6.466 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.497 0.665 5.233 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.443 1.376 5.303 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.784 2.845 3.378 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.881 3.265 4.853 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.096 2.315 3.570 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.576 0.540 3.001 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.906 -0.062 3.125 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.180 -0.753 4.158 1.00 0.00 H new ATOM 182 N TYR A 10 -0.158 2.342 7.066 1.00 0.00 N ATOM 183 CA TYR A 10 0.112 3.306 8.129 1.00 0.00 C ATOM 184 C TYR A 10 0.748 4.580 7.576 1.00 0.00 C ATOM 185 O TYR A 10 1.357 4.571 6.507 1.00 0.00 O ATOM 186 CB TYR A 10 0.997 2.666 9.209 1.00 0.00 C ATOM 187 CG TYR A 10 2.213 1.914 8.707 1.00 0.00 C ATOM 188 CD1 TYR A 10 2.080 0.566 8.330 1.00 0.00 C ATOM 189 CD2 TYR A 10 3.480 2.527 8.683 1.00 0.00 C ATOM 190 CE1 TYR A 10 3.199 -0.161 7.895 1.00 0.00 C ATOM 191 CE2 TYR A 10 4.603 1.796 8.251 1.00 0.00 C ATOM 192 CZ TYR A 10 4.459 0.458 7.844 1.00 0.00 C ATOM 193 OH TYR A 10 5.544 -0.238 7.401 1.00 0.00 O ATOM 0 H TYR A 10 0.646 2.163 6.464 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.837 3.591 8.583 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.333 3.450 9.888 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.385 1.979 9.793 1.00 0.00 H new ATOM 0 HD1 TYR A 10 1.113 0.088 8.375 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.590 3.555 8.995 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.092 -1.194 7.600 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.576 2.264 8.232 1.00 0.00 H new ATOM 0 HH TYR A 10 6.336 0.338 7.429 1.00 0.00 H new ATOM 203 N SER A 11 0.634 5.665 8.348 1.00 0.00 N ATOM 204 CA SER A 11 1.428 6.874 8.197 1.00 0.00 C ATOM 205 C SER A 11 2.534 6.832 9.252 1.00 0.00 C ATOM 206 O SER A 11 2.240 6.662 10.434 1.00 0.00 O ATOM 207 CB SER A 11 0.559 8.126 8.354 1.00 0.00 C ATOM 208 OG SER A 11 -0.466 7.925 9.308 1.00 0.00 O ATOM 0 H SER A 11 -0.035 5.721 9.116 1.00 0.00 H new ATOM 0 HA SER A 11 1.862 6.920 7.198 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.182 8.967 8.658 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.117 8.387 7.392 1.00 0.00 H new ATOM 0 HG SER A 11 -1.003 8.741 9.388 1.00 0.00 H new ATOM 214 N ARG A 12 3.801 6.960 8.837 1.00 0.00 N ATOM 215 CA ARG A 12 4.928 6.899 9.761 1.00 0.00 C ATOM 216 C ARG A 12 4.974 8.169 10.610 1.00 0.00 C ATOM 217 O ARG A 12 5.068 8.096 11.834 1.00 0.00 O ATOM 218 CB ARG A 12 6.245 6.693 8.997 1.00 0.00 C ATOM 219 CG ARG A 12 7.301 5.965 9.837 1.00 0.00 C ATOM 220 CD ARG A 12 7.044 4.451 9.851 1.00 0.00 C ATOM 221 NE ARG A 12 8.016 3.744 10.694 1.00 0.00 N ATOM 222 CZ ARG A 12 7.985 3.697 12.037 1.00 0.00 C ATOM 223 NH1 ARG A 12 7.026 4.332 12.726 1.00 0.00 N ATOM 224 NH2 ARG A 12 8.929 3.009 12.694 1.00 0.00 N ATOM 0 H ARG A 12 4.066 7.107 7.863 1.00 0.00 H new ATOM 0 HA ARG A 12 4.796 6.045 10.426 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.050 6.122 8.089 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.637 7.661 8.686 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.294 6.165 9.433 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.288 6.349 10.857 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.036 4.256 10.216 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.095 4.064 8.833 1.00 0.00 H new ATOM 0 HE ARG A 12 8.774 3.250 10.224 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.307 4.860 12.231 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.015 4.287 13.745 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.663 2.527 12.175 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.914 2.968 13.713 1.00 0.00 H new ATOM 238 N HIS A 13 4.907 9.325 9.941 1.00 0.00 N ATOM 239 CA HIS A 13 4.939 10.644 10.556 1.00 0.00 C ATOM 240 C HIS A 13 3.504 11.102 10.865 1.00 0.00 C ATOM 241 O HIS A 13 2.561 10.590 10.261 1.00 0.00 O ATOM 242 CB HIS A 13 5.614 11.619 9.581 1.00 0.00 C ATOM 243 CG HIS A 13 7.067 11.356 9.274 1.00 0.00 C ATOM 244 ND1 HIS A 13 7.760 10.253 9.776 1.00 0.00 N ATOM 245 CD2 HIS A 13 7.913 12.082 8.477 1.00 0.00 C ATOM 246 CE1 HIS A 13 8.990 10.360 9.265 1.00 0.00 C ATOM 247 NE2 HIS A 13 9.134 11.442 8.484 1.00 0.00 N ATOM 0 H HIS A 13 4.827 9.363 8.925 1.00 0.00 H new ATOM 0 HA HIS A 13 5.501 10.615 11.490 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.058 11.606 8.644 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.527 12.626 9.989 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.668 12.988 7.942 1.00 0.00 H new ATOM 0 HE1 HIS A 13 9.782 9.652 9.459 1.00 0.00 H new ATOM 0 HE2 HIS A 13 9.979 11.733 7.993 1.00 0.00 H new ATOM 255 N PRO A 14 3.312 12.067 11.781 1.00 0.00 N ATOM 256 CA PRO A 14 1.995 12.579 12.135 1.00 0.00 C ATOM 257 C PRO A 14 1.489 13.532 11.045 1.00 0.00 C ATOM 258 O PRO A 14 2.088 14.580 10.807 1.00 0.00 O ATOM 259 CB PRO A 14 2.185 13.272 13.485 1.00 0.00 C ATOM 260 CG PRO A 14 3.641 13.737 13.451 1.00 0.00 C ATOM 261 CD PRO A 14 4.341 12.659 12.623 1.00 0.00 C ATOM 0 HA PRO A 14 1.240 11.797 12.212 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.499 14.111 13.605 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.002 12.590 14.315 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.737 14.721 12.992 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.063 13.810 14.454 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.140 13.089 12.019 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.798 11.908 13.267 1.00 0.00 H new ATOM 269 N ALA A 15 0.398 13.144 10.370 1.00 0.00 N ATOM 270 CA ALA A 15 -0.147 13.843 9.212 1.00 0.00 C ATOM 271 C ALA A 15 -0.546 15.279 9.550 1.00 0.00 C ATOM 272 O ALA A 15 -1.360 15.506 10.443 1.00 0.00 O ATOM 273 CB ALA A 15 -1.341 13.070 8.644 1.00 0.00 C ATOM 0 H ALA A 15 -0.138 12.315 10.625 1.00 0.00 H new ATOM 0 HA ALA A 15 0.636 13.895 8.455 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.740 13.601 7.780 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.019 12.074 8.341 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.115 12.984 9.407 1.00 0.00 H new ATOM 279 N GLU A 16 0.032 16.234 8.813 1.00 0.00 N ATOM 280 CA GLU A 16 -0.217 17.661 8.938 1.00 0.00 C ATOM 281 C GLU A 16 -0.464 18.214 7.537 1.00 0.00 C ATOM 282 O GLU A 16 0.317 17.947 6.621 1.00 0.00 O ATOM 283 CB GLU A 16 1.000 18.316 9.597 1.00 0.00 C ATOM 284 CG GLU A 16 0.817 19.819 9.834 1.00 0.00 C ATOM 285 CD GLU A 16 2.061 20.400 10.495 1.00 0.00 C ATOM 286 OE1 GLU A 16 2.120 20.362 11.742 1.00 0.00 O ATOM 287 OE2 GLU A 16 2.958 20.828 9.736 1.00 0.00 O ATOM 0 H GLU A 16 0.713 16.017 8.085 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.088 17.868 9.559 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.198 17.825 10.550 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.876 18.157 8.968 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.629 20.324 8.887 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.054 19.992 10.466 1.00 0.00 H new ATOM 294 N ASN A 17 -1.563 18.959 7.370 1.00 0.00 N ATOM 295 CA ASN A 17 -2.011 19.464 6.086 1.00 0.00 C ATOM 296 C ASN A 17 -0.934 20.299 5.387 1.00 0.00 C ATOM 297 O ASN A 17 -0.297 21.150 6.005 1.00 0.00 O ATOM 298 CB ASN A 17 -3.333 20.221 6.257 1.00 0.00 C ATOM 299 CG ASN A 17 -3.234 21.410 7.212 1.00 0.00 C ATOM 300 OD1 ASN A 17 -3.631 21.309 8.370 1.00 0.00 O ATOM 301 ND2 ASN A 17 -2.717 22.542 6.731 1.00 0.00 N ATOM 0 H ASN A 17 -2.171 19.228 8.144 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.194 18.618 5.424 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.669 20.575 5.282 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.093 19.531 6.625 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.641 23.363 7.331 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.398 22.586 5.763 1.00 0.00 H new ATOM 308 N GLY A 18 -0.728 20.036 4.091 1.00 0.00 N ATOM 309 CA GLY A 18 0.183 20.784 3.238 1.00 0.00 C ATOM 310 C GLY A 18 1.633 20.761 3.721 1.00 0.00 C ATOM 311 O GLY A 18 2.376 21.696 3.423 1.00 0.00 O ATOM 0 H GLY A 18 -1.204 19.278 3.602 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.139 20.376 2.228 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.155 21.819 3.179 1.00 0.00 H new ATOM 315 N LYS A 19 2.044 19.706 4.438 1.00 0.00 N ATOM 316 CA LYS A 19 3.415 19.530 4.892 1.00 0.00 C ATOM 317 C LYS A 19 3.825 18.077 4.703 1.00 0.00 C ATOM 318 O LYS A 19 3.137 17.156 5.138 1.00 0.00 O ATOM 319 CB LYS A 19 3.546 19.948 6.353 1.00 0.00 C ATOM 320 CG LYS A 19 4.990 20.096 6.853 1.00 0.00 C ATOM 321 CD LYS A 19 5.640 18.765 7.264 1.00 0.00 C ATOM 322 CE LYS A 19 5.902 18.672 8.771 1.00 0.00 C ATOM 323 NZ LYS A 19 4.647 18.617 9.540 1.00 0.00 N ATOM 0 H LYS A 19 1.422 18.948 4.718 1.00 0.00 H new ATOM 0 HA LYS A 19 4.078 20.163 4.302 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.029 20.897 6.492 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.035 19.212 6.974 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.591 20.557 6.069 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.002 20.775 7.706 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.994 17.941 6.961 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.582 18.645 6.728 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.498 17.784 8.983 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.488 19.533 9.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.861 18.436 10.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.146 19.524 9.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.047 17.852 9.170 1.00 0.00 H new ATOM 337 N SER A 20 4.957 17.914 4.023 1.00 0.00 N ATOM 338 CA SER A 20 5.429 16.622 3.543 1.00 0.00 C ATOM 339 C SER A 20 5.637 15.649 4.701 1.00 0.00 C ATOM 340 O SER A 20 6.312 15.969 5.678 1.00 0.00 O ATOM 341 CB SER A 20 6.732 16.785 2.760 1.00 0.00 C ATOM 342 OG SER A 20 7.649 17.618 3.441 1.00 0.00 O ATOM 0 H SER A 20 5.579 18.687 3.788 1.00 0.00 H new ATOM 0 HA SER A 20 4.665 16.213 2.881 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.182 15.806 2.595 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.517 17.207 1.778 1.00 0.00 H new ATOM 0 HG SER A 20 7.645 17.397 4.396 1.00 0.00 H new ATOM 348 N ASN A 21 5.025 14.474 4.579 1.00 0.00 N ATOM 349 CA ASN A 21 4.875 13.499 5.653 1.00 0.00 C ATOM 350 C ASN A 21 5.476 12.155 5.211 1.00 0.00 C ATOM 351 O ASN A 21 6.480 12.158 4.500 1.00 0.00 O ATOM 352 CB ASN A 21 3.383 13.451 6.019 1.00 0.00 C ATOM 353 CG ASN A 21 3.149 13.071 7.479 1.00 0.00 C ATOM 354 OD1 ASN A 21 3.555 13.803 8.377 1.00 0.00 O ATOM 355 ND2 ASN A 21 2.492 11.940 7.732 1.00 0.00 N ATOM 0 H ASN A 21 4.607 14.165 3.701 1.00 0.00 H new ATOM 0 HA ASN A 21 5.423 13.771 6.555 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.933 14.425 5.824 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.877 12.732 5.375 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.313 11.659 8.696 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.168 11.355 6.962 1.00 0.00 H new ATOM 362 N PHE A 22 4.893 11.008 5.600 1.00 0.00 N ATOM 363 CA PHE A 22 5.349 9.701 5.131 1.00 0.00 C ATOM 364 C PHE A 22 4.229 8.660 5.201 1.00 0.00 C ATOM 365 O PHE A 22 3.748 8.334 6.284 1.00 0.00 O ATOM 366 CB PHE A 22 6.580 9.228 5.918 1.00 0.00 C ATOM 367 CG PHE A 22 7.758 8.850 5.044 1.00 0.00 C ATOM 368 CD1 PHE A 22 7.606 7.869 4.045 1.00 0.00 C ATOM 369 CD2 PHE A 22 8.973 9.552 5.155 1.00 0.00 C ATOM 370 CE1 PHE A 22 8.635 7.650 3.113 1.00 0.00 C ATOM 371 CE2 PHE A 22 10.021 9.292 4.256 1.00 0.00 C ATOM 372 CZ PHE A 22 9.835 8.375 3.208 1.00 0.00 C ATOM 0 H PHE A 22 4.101 10.967 6.242 1.00 0.00 H new ATOM 0 HA PHE A 22 5.637 9.813 4.086 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.887 10.018 6.603 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.301 8.368 6.527 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.699 7.285 3.995 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.100 10.291 5.932 1.00 0.00 H new ATOM 0 HE1 PHE A 22 8.503 6.925 2.324 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.969 9.797 4.371 1.00 0.00 H new ATOM 0 HZ PHE A 22 10.614 8.227 2.475 1.00 0.00 H new ATOM 382 N LEU A 23 3.837 8.146 4.030 1.00 0.00 N ATOM 383 CA LEU A 23 2.795 7.151 3.806 1.00 0.00 C ATOM 384 C LEU A 23 3.452 5.806 3.520 1.00 0.00 C ATOM 385 O LEU A 23 4.432 5.752 2.779 1.00 0.00 O ATOM 386 CB LEU A 23 1.964 7.585 2.596 1.00 0.00 C ATOM 387 CG LEU A 23 0.831 6.645 2.191 1.00 0.00 C ATOM 388 CD1 LEU A 23 -0.186 6.543 3.326 1.00 0.00 C ATOM 389 CD2 LEU A 23 0.144 7.251 0.962 1.00 0.00 C ATOM 0 H LEU A 23 4.273 8.438 3.156 1.00 0.00 H new ATOM 0 HA LEU A 23 2.154 7.062 4.683 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.538 8.566 2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.633 7.704 1.744 1.00 0.00 H new ATOM 0 HG LEU A 23 1.223 5.651 1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.993 5.871 3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.303 6.154 4.219 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.595 7.531 3.538 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.673 6.603 0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.251 8.235 1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.866 7.347 0.151 1.00 0.00 H new ATOM 401 N ASN A 24 2.919 4.731 4.111 1.00 0.00 N ATOM 402 CA ASN A 24 3.485 3.395 4.017 1.00 0.00 C ATOM 403 C ASN A 24 2.365 2.378 3.820 1.00 0.00 C ATOM 404 O ASN A 24 1.775 1.914 4.796 1.00 0.00 O ATOM 405 CB ASN A 24 4.264 3.063 5.291 1.00 0.00 C ATOM 406 CG ASN A 24 5.533 3.889 5.495 1.00 0.00 C ATOM 407 OD1 ASN A 24 6.639 3.363 5.407 1.00 0.00 O ATOM 408 ND2 ASN A 24 5.388 5.177 5.810 1.00 0.00 N ATOM 0 H ASN A 24 2.070 4.773 4.675 1.00 0.00 H new ATOM 0 HA ASN A 24 4.165 3.356 3.166 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.609 3.209 6.150 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.533 2.007 5.272 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.210 5.755 5.986 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.455 5.584 5.875 1.00 0.00 H new ATOM 415 N CYS A 25 2.113 1.991 2.564 1.00 0.00 N ATOM 416 CA CYS A 25 1.283 0.832 2.272 1.00 0.00 C ATOM 417 C CYS A 25 2.198 -0.375 2.431 1.00 0.00 C ATOM 418 O CYS A 25 3.240 -0.422 1.785 1.00 0.00 O ATOM 419 CB CYS A 25 0.711 0.865 0.842 1.00 0.00 C ATOM 420 SG CYS A 25 -0.031 2.424 0.277 1.00 0.00 S ATOM 0 H CYS A 25 2.475 2.468 1.738 1.00 0.00 H new ATOM 0 HA CYS A 25 0.423 0.805 2.942 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.513 0.604 0.152 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.045 0.084 0.763 1.00 0.00 H new ATOM 425 N TYR A 26 1.840 -1.331 3.291 1.00 0.00 N ATOM 426 CA TYR A 26 2.602 -2.557 3.467 1.00 0.00 C ATOM 427 C TYR A 26 1.634 -3.722 3.347 1.00 0.00 C ATOM 428 O TYR A 26 0.605 -3.724 4.014 1.00 0.00 O ATOM 429 CB TYR A 26 3.316 -2.533 4.824 1.00 0.00 C ATOM 430 CG TYR A 26 4.075 -3.794 5.211 1.00 0.00 C ATOM 431 CD1 TYR A 26 4.707 -4.588 4.235 1.00 0.00 C ATOM 432 CD2 TYR A 26 4.161 -4.170 6.564 1.00 0.00 C ATOM 433 CE1 TYR A 26 5.348 -5.783 4.594 1.00 0.00 C ATOM 434 CE2 TYR A 26 4.766 -5.389 6.921 1.00 0.00 C ATOM 435 CZ TYR A 26 5.364 -6.194 5.937 1.00 0.00 C ATOM 436 OH TYR A 26 5.969 -7.366 6.287 1.00 0.00 O ATOM 0 H TYR A 26 1.012 -1.271 3.883 1.00 0.00 H new ATOM 0 HA TYR A 26 3.375 -2.659 2.706 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.017 -1.698 4.827 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.575 -2.330 5.597 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.698 -4.274 3.202 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.762 -3.522 7.330 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.829 -6.387 3.838 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.771 -5.706 7.953 1.00 0.00 H new ATOM 0 HH TYR A 26 6.499 -7.698 5.533 1.00 0.00 H new ATOM 446 N VAL A 27 1.952 -4.689 2.479 1.00 0.00 N ATOM 447 CA VAL A 27 1.114 -5.848 2.223 1.00 0.00 C ATOM 448 C VAL A 27 1.977 -7.078 2.423 1.00 0.00 C ATOM 449 O VAL A 27 3.139 -7.072 2.015 1.00 0.00 O ATOM 450 CB VAL A 27 0.561 -5.822 0.789 1.00 0.00 C ATOM 451 CG1 VAL A 27 -0.624 -6.784 0.675 1.00 0.00 C ATOM 452 CG2 VAL A 27 0.079 -4.436 0.390 1.00 0.00 C ATOM 0 H VAL A 27 2.812 -4.681 1.931 1.00 0.00 H new ATOM 0 HA VAL A 27 0.261 -5.851 2.901 1.00 0.00 H new ATOM 0 HB VAL A 27 1.374 -6.118 0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.013 -6.763 -0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.296 -7.795 0.917 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.407 -6.480 1.369 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.303 -4.464 -0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.714 -4.118 1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.909 -3.732 0.447 1.00 0.00 H new ATOM 462 N SER A 28 1.419 -8.128 3.034 1.00 0.00 N ATOM 463 CA SER A 28 2.168 -9.341 3.283 1.00 0.00 C ATOM 464 C SER A 28 1.257 -10.552 3.470 1.00 0.00 C ATOM 465 O SER A 28 0.039 -10.437 3.362 1.00 0.00 O ATOM 466 CB SER A 28 3.096 -9.116 4.489 1.00 0.00 C ATOM 467 OG SER A 28 2.350 -8.910 5.671 1.00 0.00 O ATOM 0 H SER A 28 0.453 -8.152 3.361 1.00 0.00 H new ATOM 0 HA SER A 28 2.777 -9.569 2.408 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.751 -9.978 4.614 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.736 -8.253 4.304 1.00 0.00 H new ATOM 0 HG SER A 28 2.962 -8.771 6.424 1.00 0.00 H new ATOM 473 N GLY A 29 1.853 -11.725 3.723 1.00 0.00 N ATOM 474 CA GLY A 29 1.117 -12.957 3.976 1.00 0.00 C ATOM 475 C GLY A 29 0.818 -13.732 2.690 1.00 0.00 C ATOM 476 O GLY A 29 0.745 -14.960 2.719 1.00 0.00 O ATOM 0 H GLY A 29 2.866 -11.840 3.757 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.693 -13.589 4.652 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.180 -12.720 4.481 1.00 0.00 H new ATOM 480 N PHE A 30 0.629 -13.015 1.576 1.00 0.00 N ATOM 481 CA PHE A 30 0.185 -13.563 0.303 1.00 0.00 C ATOM 482 C PHE A 30 1.296 -14.327 -0.422 1.00 0.00 C ATOM 483 O PHE A 30 2.448 -14.297 -0.004 1.00 0.00 O ATOM 484 CB PHE A 30 -0.364 -12.418 -0.559 1.00 0.00 C ATOM 485 CG PHE A 30 0.662 -11.371 -0.961 1.00 0.00 C ATOM 486 CD1 PHE A 30 1.468 -11.597 -2.091 1.00 0.00 C ATOM 487 CD2 PHE A 30 0.844 -10.194 -0.207 1.00 0.00 C ATOM 488 CE1 PHE A 30 2.496 -10.709 -2.426 1.00 0.00 C ATOM 489 CE2 PHE A 30 1.863 -9.291 -0.556 1.00 0.00 C ATOM 490 CZ PHE A 30 2.701 -9.563 -1.648 1.00 0.00 C ATOM 0 H PHE A 30 0.787 -12.008 1.542 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.603 -14.293 0.491 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.803 -12.841 -1.463 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.169 -11.926 -0.014 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.291 -12.466 -2.707 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.202 -9.987 0.637 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.128 -10.906 -3.280 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.001 -8.386 0.017 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.507 -8.886 -1.889 1.00 0.00 H new ATOM 500 N HIS A 31 0.928 -14.981 -1.532 1.00 0.00 N ATOM 501 CA HIS A 31 1.799 -15.523 -2.578 1.00 0.00 C ATOM 502 C HIS A 31 0.874 -15.812 -3.778 1.00 0.00 C ATOM 503 O HIS A 31 -0.313 -16.048 -3.551 1.00 0.00 O ATOM 504 CB HIS A 31 2.537 -16.774 -2.076 1.00 0.00 C ATOM 505 CG HIS A 31 1.698 -18.016 -2.119 1.00 0.00 C ATOM 506 ND1 HIS A 31 0.969 -18.454 -1.020 1.00 0.00 N ATOM 507 CD2 HIS A 31 1.436 -18.827 -3.186 1.00 0.00 C ATOM 508 CE1 HIS A 31 0.294 -19.516 -1.464 1.00 0.00 C ATOM 509 NE2 HIS A 31 0.542 -19.787 -2.757 1.00 0.00 N ATOM 0 H HIS A 31 -0.056 -15.156 -1.735 1.00 0.00 H new ATOM 0 HA HIS A 31 2.586 -14.827 -2.868 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.431 -16.927 -2.681 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.870 -16.604 -1.052 1.00 0.00 H new ATOM 0 HD2 HIS A 31 1.850 -18.735 -4.179 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.379 -20.096 -0.850 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.149 -20.549 -3.310 1.00 0.00 H new ATOM 517 N PRO A 32 1.340 -15.801 -5.040 1.00 0.00 N ATOM 518 CA PRO A 32 2.718 -15.671 -5.490 1.00 0.00 C ATOM 519 C PRO A 32 3.068 -14.193 -5.743 1.00 0.00 C ATOM 520 O PRO A 32 2.543 -13.306 -5.070 1.00 0.00 O ATOM 521 CB PRO A 32 2.749 -16.543 -6.755 1.00 0.00 C ATOM 522 CG PRO A 32 1.404 -16.211 -7.396 1.00 0.00 C ATOM 523 CD PRO A 32 0.488 -16.140 -6.174 1.00 0.00 C ATOM 0 HA PRO A 32 3.465 -15.995 -4.765 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.586 -16.290 -7.406 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.839 -17.603 -6.519 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.432 -15.268 -7.942 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.086 -16.978 -8.102 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.289 -15.389 -6.314 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.016 -17.093 -6.010 1.00 0.00 H new ATOM 531 N SER A 33 3.981 -13.934 -6.689 1.00 0.00 N ATOM 532 CA SER A 33 4.720 -12.689 -6.827 1.00 0.00 C ATOM 533 C SER A 33 4.056 -11.653 -7.742 1.00 0.00 C ATOM 534 O SER A 33 4.763 -10.830 -8.321 1.00 0.00 O ATOM 535 CB SER A 33 6.112 -13.066 -7.354 1.00 0.00 C ATOM 536 OG SER A 33 6.018 -13.597 -8.661 1.00 0.00 O ATOM 0 H SER A 33 4.229 -14.619 -7.403 1.00 0.00 H new ATOM 0 HA SER A 33 4.760 -12.199 -5.854 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.757 -12.187 -7.357 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.573 -13.797 -6.690 1.00 0.00 H new ATOM 0 HG SER A 33 6.913 -13.831 -8.984 1.00 0.00 H new ATOM 542 N ASP A 34 2.726 -11.689 -7.885 1.00 0.00 N ATOM 543 CA ASP A 34 1.996 -10.856 -8.833 1.00 0.00 C ATOM 544 C ASP A 34 0.971 -9.995 -8.092 1.00 0.00 C ATOM 545 O ASP A 34 -0.183 -10.394 -7.954 1.00 0.00 O ATOM 546 CB ASP A 34 1.349 -11.769 -9.886 1.00 0.00 C ATOM 547 CG ASP A 34 0.573 -11.011 -10.965 1.00 0.00 C ATOM 548 OD1 ASP A 34 0.760 -9.779 -11.067 1.00 0.00 O ATOM 549 OD2 ASP A 34 -0.189 -11.692 -11.685 1.00 0.00 O ATOM 0 H ASP A 34 2.125 -12.305 -7.338 1.00 0.00 H new ATOM 0 HA ASP A 34 2.669 -10.169 -9.345 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.126 -12.367 -10.362 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.674 -12.464 -9.386 1.00 0.00 H new ATOM 554 N ILE A 35 1.398 -8.820 -7.609 1.00 0.00 N ATOM 555 CA ILE A 35 0.530 -7.867 -6.921 1.00 0.00 C ATOM 556 C ILE A 35 0.772 -6.438 -7.403 1.00 0.00 C ATOM 557 O ILE A 35 1.886 -6.071 -7.771 1.00 0.00 O ATOM 558 CB ILE A 35 0.661 -8.018 -5.395 1.00 0.00 C ATOM 559 CG1 ILE A 35 -0.232 -7.054 -4.601 1.00 0.00 C ATOM 560 CG2 ILE A 35 2.098 -7.858 -4.928 1.00 0.00 C ATOM 561 CD1 ILE A 35 -0.275 -7.408 -3.112 1.00 0.00 C ATOM 0 H ILE A 35 2.365 -8.506 -7.688 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.505 -8.096 -7.174 1.00 0.00 H new ATOM 0 HB ILE A 35 0.320 -9.033 -5.191 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.137 -6.035 -4.721 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.243 -7.077 -5.009 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.143 -7.972 -3.845 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.721 -8.618 -5.399 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.462 -6.868 -5.204 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.918 -6.701 -2.588 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.669 -8.417 -2.989 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.732 -7.359 -2.697 1.00 0.00 H new ATOM 573 N GLU A 36 -0.306 -5.651 -7.378 1.00 0.00 N ATOM 574 CA GLU A 36 -0.383 -4.273 -7.832 1.00 0.00 C ATOM 575 C GLU A 36 -0.699 -3.369 -6.644 1.00 0.00 C ATOM 576 O GLU A 36 -1.744 -3.542 -6.014 1.00 0.00 O ATOM 577 CB GLU A 36 -1.494 -4.118 -8.875 1.00 0.00 C ATOM 578 CG GLU A 36 -1.541 -5.269 -9.881 1.00 0.00 C ATOM 579 CD GLU A 36 -2.519 -5.002 -11.024 1.00 0.00 C ATOM 580 OE1 GLU A 36 -3.392 -4.122 -10.845 1.00 0.00 O ATOM 581 OE2 GLU A 36 -2.381 -5.687 -12.061 1.00 0.00 O ATOM 0 H GLU A 36 -1.199 -5.985 -7.017 1.00 0.00 H new ATOM 0 HA GLU A 36 0.572 -3.996 -8.278 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.455 -4.050 -8.365 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.351 -3.180 -9.412 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.544 -5.432 -10.290 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.828 -6.186 -9.367 1.00 0.00 H new ATOM 588 N VAL A 37 0.182 -2.403 -6.352 1.00 0.00 N ATOM 589 CA VAL A 37 -0.035 -1.399 -5.316 1.00 0.00 C ATOM 590 C VAL A 37 0.470 -0.058 -5.839 1.00 0.00 C ATOM 591 O VAL A 37 1.491 0.460 -5.392 1.00 0.00 O ATOM 592 CB VAL A 37 0.594 -1.832 -3.977 1.00 0.00 C ATOM 593 CG1 VAL A 37 0.307 -0.897 -2.792 1.00 0.00 C ATOM 594 CG2 VAL A 37 0.052 -3.208 -3.584 1.00 0.00 C ATOM 0 H VAL A 37 1.073 -2.300 -6.837 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.097 -1.291 -5.096 1.00 0.00 H new ATOM 0 HB VAL A 37 1.669 -1.821 -4.158 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.791 -1.286 -1.896 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.695 0.098 -3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.769 -0.839 -2.627 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.495 -3.517 -2.637 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.031 -3.155 -3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.306 -3.933 -4.357 1.00 0.00 H new ATOM 604 N ASP A 38 -0.284 0.500 -6.791 1.00 0.00 N ATOM 605 CA ASP A 38 -0.167 1.883 -7.213 1.00 0.00 C ATOM 606 C ASP A 38 -0.781 2.726 -6.101 1.00 0.00 C ATOM 607 O ASP A 38 -1.957 2.553 -5.782 1.00 0.00 O ATOM 608 CB ASP A 38 -0.927 2.110 -8.529 1.00 0.00 C ATOM 609 CG ASP A 38 -0.402 1.248 -9.675 1.00 0.00 C ATOM 610 OD1 ASP A 38 -0.595 0.015 -9.599 1.00 0.00 O ATOM 611 OD2 ASP A 38 0.156 1.838 -10.623 1.00 0.00 O ATOM 0 H ASP A 38 -1.006 -0.015 -7.295 1.00 0.00 H new ATOM 0 HA ASP A 38 0.875 2.152 -7.388 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.984 1.895 -8.374 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.854 3.161 -8.808 1.00 0.00 H new ATOM 616 N LEU A 39 0.000 3.628 -5.501 1.00 0.00 N ATOM 617 CA LEU A 39 -0.528 4.529 -4.498 1.00 0.00 C ATOM 618 C LEU A 39 -1.268 5.627 -5.256 1.00 0.00 C ATOM 619 O LEU A 39 -0.780 6.099 -6.284 1.00 0.00 O ATOM 620 CB LEU A 39 0.587 5.064 -3.596 1.00 0.00 C ATOM 621 CG LEU A 39 1.240 3.991 -2.708 1.00 0.00 C ATOM 622 CD1 LEU A 39 2.394 3.261 -3.403 1.00 0.00 C ATOM 623 CD2 LEU A 39 1.808 4.672 -1.459 1.00 0.00 C ATOM 0 H LEU A 39 0.994 3.746 -5.697 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.215 4.024 -3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.355 5.523 -4.218 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.180 5.850 -2.960 1.00 0.00 H new ATOM 0 HG LEU A 39 0.469 3.258 -2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.814 2.517 -2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.024 2.767 -4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.167 3.979 -3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.275 3.925 -0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.551 5.412 -1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.002 5.164 -0.915 1.00 0.00 H new ATOM 635 N LEU A 40 -2.482 5.958 -4.804 1.00 0.00 N ATOM 636 CA LEU A 40 -3.478 6.627 -5.624 1.00 0.00 C ATOM 637 C LEU A 40 -4.222 7.632 -4.754 1.00 0.00 C ATOM 638 O LEU A 40 -4.805 7.247 -3.744 1.00 0.00 O ATOM 639 CB LEU A 40 -4.426 5.559 -6.196 1.00 0.00 C ATOM 640 CG LEU A 40 -5.139 5.915 -7.512 1.00 0.00 C ATOM 641 CD1 LEU A 40 -5.950 7.213 -7.445 1.00 0.00 C ATOM 642 CD2 LEU A 40 -4.156 5.973 -8.684 1.00 0.00 C ATOM 0 H LEU A 40 -2.796 5.765 -3.853 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.022 7.165 -6.455 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.855 4.644 -6.353 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.184 5.337 -5.445 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.851 5.107 -7.677 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.423 7.397 -8.410 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.717 7.123 -6.676 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.288 8.044 -7.202 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.694 6.227 -9.598 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.398 6.731 -8.486 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.675 5.002 -8.804 1.00 0.00 H new ATOM 654 N LYS A 41 -4.183 8.918 -5.116 1.00 0.00 N ATOM 655 CA LYS A 41 -4.810 9.967 -4.345 1.00 0.00 C ATOM 656 C LYS A 41 -6.312 10.080 -4.632 1.00 0.00 C ATOM 657 O LYS A 41 -7.002 9.070 -4.759 1.00 0.00 O ATOM 658 CB LYS A 41 -4.037 11.250 -4.635 1.00 0.00 C ATOM 659 CG LYS A 41 -2.545 11.051 -4.375 1.00 0.00 C ATOM 660 CD LYS A 41 -1.743 12.157 -5.038 1.00 0.00 C ATOM 661 CE LYS A 41 -2.328 13.516 -4.675 1.00 0.00 C ATOM 662 NZ LYS A 41 -1.383 14.622 -4.888 1.00 0.00 N ATOM 0 H LYS A 41 -3.711 9.250 -5.957 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.764 9.746 -3.279 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.194 11.549 -5.671 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.416 12.058 -4.009 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.353 11.046 -3.302 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.228 10.082 -4.760 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.702 12.103 -4.719 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.752 12.025 -6.120 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.224 13.691 -5.271 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.637 13.505 -3.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.882 15.529 -4.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.620 14.568 -4.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.977 14.553 -5.843 1.00 0.00 H new ATOM 676 N ASN A 42 -6.815 11.314 -4.742 1.00 0.00 N ATOM 677 CA ASN A 42 -8.180 11.621 -5.145 1.00 0.00 C ATOM 678 C ASN A 42 -8.440 11.114 -6.568 1.00 0.00 C ATOM 679 O ASN A 42 -9.478 10.511 -6.833 1.00 0.00 O ATOM 680 CB ASN A 42 -8.437 13.132 -5.013 1.00 0.00 C ATOM 681 CG ASN A 42 -7.624 13.960 -6.013 1.00 0.00 C ATOM 682 OD1 ASN A 42 -8.151 14.372 -7.043 1.00 0.00 O ATOM 683 ND2 ASN A 42 -6.337 14.188 -5.739 1.00 0.00 N ATOM 0 H ASN A 42 -6.262 12.148 -4.546 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.880 11.108 -4.486 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.498 13.330 -5.162 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.192 13.451 -4.000 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.762 14.718 -6.394 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.929 13.832 -4.875 1.00 0.00 H new ATOM 690 N GLY A 43 -7.477 11.337 -7.470 1.00 0.00 N ATOM 691 CA GLY A 43 -7.495 10.826 -8.831 1.00 0.00 C ATOM 692 C GLY A 43 -6.147 11.047 -9.520 1.00 0.00 C ATOM 693 O GLY A 43 -6.107 11.244 -10.733 1.00 0.00 O ATOM 0 H GLY A 43 -6.647 11.892 -7.261 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.731 9.762 -8.820 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.283 11.322 -9.399 1.00 0.00 H new ATOM 697 N GLU A 44 -5.052 11.018 -8.748 1.00 0.00 N ATOM 698 CA GLU A 44 -3.693 11.238 -9.219 1.00 0.00 C ATOM 699 C GLU A 44 -2.797 10.147 -8.626 1.00 0.00 C ATOM 700 O GLU A 44 -2.775 9.968 -7.410 1.00 0.00 O ATOM 701 CB GLU A 44 -3.262 12.642 -8.770 1.00 0.00 C ATOM 702 CG GLU A 44 -1.831 13.001 -9.182 1.00 0.00 C ATOM 703 CD GLU A 44 -1.405 14.328 -8.563 1.00 0.00 C ATOM 704 OE1 GLU A 44 -1.832 15.374 -9.096 1.00 0.00 O ATOM 705 OE2 GLU A 44 -0.676 14.272 -7.549 1.00 0.00 O ATOM 0 H GLU A 44 -5.098 10.834 -7.746 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.619 11.183 -10.305 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.948 13.377 -9.191 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.348 12.711 -7.686 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.148 12.212 -8.867 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.766 13.064 -10.268 1.00 0.00 H new ATOM 712 N ARG A 45 -2.061 9.413 -9.471 1.00 0.00 N ATOM 713 CA ARG A 45 -1.116 8.405 -9.006 1.00 0.00 C ATOM 714 C ARG A 45 0.117 9.088 -8.422 1.00 0.00 C ATOM 715 O ARG A 45 0.563 10.113 -8.936 1.00 0.00 O ATOM 716 CB ARG A 45 -0.715 7.467 -10.152 1.00 0.00 C ATOM 717 CG ARG A 45 -0.207 6.124 -9.607 1.00 0.00 C ATOM 718 CD ARG A 45 0.612 5.348 -10.641 1.00 0.00 C ATOM 719 NE ARG A 45 1.980 5.882 -10.747 1.00 0.00 N ATOM 720 CZ ARG A 45 2.480 6.649 -11.731 1.00 0.00 C ATOM 721 NH1 ARG A 45 1.726 7.039 -12.769 1.00 0.00 N ATOM 722 NH2 ARG A 45 3.762 7.031 -11.669 1.00 0.00 N ATOM 0 H ARG A 45 -2.107 9.504 -10.486 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.594 7.806 -8.231 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.571 7.299 -10.806 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.061 7.936 -10.757 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.404 6.302 -8.722 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.056 5.518 -9.291 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.651 4.295 -10.362 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.121 5.403 -11.613 1.00 0.00 H new ATOM 0 HE ARG A 45 2.620 5.643 -9.989 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.748 6.754 -12.825 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.130 7.621 -13.503 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.343 6.740 -10.883 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.157 7.613 -12.408 1.00 0.00 H new ATOM 736 N ILE A 46 0.688 8.504 -7.365 1.00 0.00 N ATOM 737 CA ILE A 46 1.930 8.938 -6.794 1.00 0.00 C ATOM 738 C ILE A 46 3.031 8.594 -7.795 1.00 0.00 C ATOM 739 O ILE A 46 3.123 7.456 -8.257 1.00 0.00 O ATOM 740 CB ILE A 46 2.100 8.181 -5.473 1.00 0.00 C ATOM 741 CG1 ILE A 46 0.918 8.355 -4.500 1.00 0.00 C ATOM 742 CG2 ILE A 46 3.394 8.604 -4.801 1.00 0.00 C ATOM 743 CD1 ILE A 46 0.763 9.744 -3.900 1.00 0.00 C ATOM 0 H ILE A 46 0.278 7.702 -6.886 1.00 0.00 H new ATOM 0 HA ILE A 46 1.966 10.009 -6.594 1.00 0.00 H new ATOM 0 HB ILE A 46 2.131 7.121 -5.726 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.003 8.100 -5.025 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.030 7.638 -3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.510 8.063 -3.862 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.235 8.378 -5.456 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.367 9.675 -4.601 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.097 9.757 -3.231 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.662 10.001 -3.340 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.613 10.471 -4.699 1.00 0.00 H new ATOM 755 N GLU A 47 3.853 9.588 -8.137 1.00 0.00 N ATOM 756 CA GLU A 47 5.004 9.403 -9.007 1.00 0.00 C ATOM 757 C GLU A 47 6.216 8.943 -8.197 1.00 0.00 C ATOM 758 O GLU A 47 6.860 7.966 -8.575 1.00 0.00 O ATOM 759 CB GLU A 47 5.296 10.677 -9.805 1.00 0.00 C ATOM 760 CG GLU A 47 4.144 10.994 -10.767 1.00 0.00 C ATOM 761 CD GLU A 47 4.543 12.091 -11.748 1.00 0.00 C ATOM 762 OE1 GLU A 47 4.743 13.230 -11.274 1.00 0.00 O ATOM 763 OE2 GLU A 47 4.657 11.765 -12.950 1.00 0.00 O ATOM 0 H GLU A 47 3.733 10.548 -7.813 1.00 0.00 H new ATOM 0 HA GLU A 47 4.775 8.620 -9.729 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.446 11.513 -9.122 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.222 10.555 -10.367 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.864 10.094 -11.315 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.267 11.308 -10.200 1.00 0.00 H new ATOM 770 N LYS A 48 6.524 9.627 -7.084 1.00 0.00 N ATOM 771 CA LYS A 48 7.695 9.337 -6.262 1.00 0.00 C ATOM 772 C LYS A 48 7.381 8.216 -5.260 1.00 0.00 C ATOM 773 O LYS A 48 7.504 8.389 -4.047 1.00 0.00 O ATOM 774 CB LYS A 48 8.210 10.641 -5.614 1.00 0.00 C ATOM 775 CG LYS A 48 9.743 10.767 -5.628 1.00 0.00 C ATOM 776 CD LYS A 48 10.465 9.676 -4.825 1.00 0.00 C ATOM 777 CE LYS A 48 11.992 9.782 -4.964 1.00 0.00 C ATOM 778 NZ LYS A 48 12.529 11.029 -4.388 1.00 0.00 N ATOM 0 H LYS A 48 5.960 10.401 -6.732 1.00 0.00 H new ATOM 0 HA LYS A 48 8.510 8.958 -6.878 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.778 11.493 -6.138 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.858 10.689 -4.583 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.091 10.734 -6.660 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.021 11.742 -5.229 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.189 9.756 -3.773 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.136 8.695 -5.167 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.458 8.929 -4.471 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.262 9.728 -6.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.567 11.020 -4.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.159 11.844 -4.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.240 11.104 -3.392 1.00 0.00 H new ATOM 792 N VAL A 49 6.998 7.047 -5.787 1.00 0.00 N ATOM 793 CA VAL A 49 6.855 5.819 -5.016 1.00 0.00 C ATOM 794 C VAL A 49 8.237 5.188 -4.886 1.00 0.00 C ATOM 795 O VAL A 49 8.968 5.102 -5.872 1.00 0.00 O ATOM 796 CB VAL A 49 5.882 4.838 -5.701 1.00 0.00 C ATOM 797 CG1 VAL A 49 5.777 3.524 -4.909 1.00 0.00 C ATOM 798 CG2 VAL A 49 4.487 5.449 -5.834 1.00 0.00 C ATOM 0 H VAL A 49 6.777 6.932 -6.776 1.00 0.00 H new ATOM 0 HA VAL A 49 6.442 6.048 -4.034 1.00 0.00 H new ATOM 0 HB VAL A 49 6.280 4.631 -6.694 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.085 2.850 -5.413 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.760 3.056 -4.848 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.412 3.733 -3.904 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.822 4.735 -6.320 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.099 5.690 -4.844 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.544 6.358 -6.432 1.00 0.00 H new ATOM 808 N GLU A 50 8.572 4.719 -3.681 1.00 0.00 N ATOM 809 CA GLU A 50 9.718 3.871 -3.428 1.00 0.00 C ATOM 810 C GLU A 50 9.202 2.612 -2.733 1.00 0.00 C ATOM 811 O GLU A 50 8.070 2.584 -2.250 1.00 0.00 O ATOM 812 CB GLU A 50 10.736 4.650 -2.587 1.00 0.00 C ATOM 813 CG GLU A 50 12.150 4.084 -2.711 1.00 0.00 C ATOM 814 CD GLU A 50 13.152 4.975 -1.984 1.00 0.00 C ATOM 815 OE1 GLU A 50 13.622 5.940 -2.625 1.00 0.00 O ATOM 816 OE2 GLU A 50 13.418 4.680 -0.798 1.00 0.00 O ATOM 0 H GLU A 50 8.034 4.929 -2.840 1.00 0.00 H new ATOM 0 HA GLU A 50 10.231 3.573 -4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.737 5.694 -2.899 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.430 4.630 -1.541 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.182 3.077 -2.295 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.424 4.003 -3.763 1.00 0.00 H new ATOM 823 N HIS A 51 10.013 1.557 -2.689 1.00 0.00 N ATOM 824 CA HIS A 51 9.624 0.314 -2.049 1.00 0.00 C ATOM 825 C HIS A 51 10.861 -0.454 -1.607 1.00 0.00 C ATOM 826 O HIS A 51 11.975 -0.159 -2.037 1.00 0.00 O ATOM 827 CB HIS A 51 8.741 -0.515 -2.996 1.00 0.00 C ATOM 828 CG HIS A 51 9.275 -0.622 -4.401 1.00 0.00 C ATOM 829 ND1 HIS A 51 8.547 -0.136 -5.486 1.00 0.00 N ATOM 830 CD2 HIS A 51 10.460 -1.137 -4.857 1.00 0.00 C ATOM 831 CE1 HIS A 51 9.310 -0.390 -6.552 1.00 0.00 C ATOM 832 NE2 HIS A 51 10.464 -0.996 -6.229 1.00 0.00 N ATOM 0 H HIS A 51 10.949 1.544 -3.094 1.00 0.00 H new ATOM 0 HA HIS A 51 9.035 0.532 -1.158 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.628 -1.518 -2.585 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.746 -0.070 -3.030 1.00 0.00 H new ATOM 0 HD2 HIS A 51 11.244 -1.572 -4.255 1.00 0.00 H new ATOM 0 HE1 HIS A 51 9.030 -0.136 -7.564 1.00 0.00 H new ATOM 0 HE2 HIS A 51 11.198 -1.293 -6.871 1.00 0.00 H new ATOM 840 N SER A 52 10.645 -1.451 -0.745 1.00 0.00 N ATOM 841 CA SER A 52 11.674 -2.400 -0.360 1.00 0.00 C ATOM 842 C SER A 52 11.858 -3.446 -1.463 1.00 0.00 C ATOM 843 O SER A 52 11.072 -3.510 -2.408 1.00 0.00 O ATOM 844 CB SER A 52 11.286 -3.059 0.969 1.00 0.00 C ATOM 845 OG SER A 52 10.136 -3.868 0.814 1.00 0.00 O ATOM 0 H SER A 52 9.744 -1.617 -0.296 1.00 0.00 H new ATOM 0 HA SER A 52 12.624 -1.882 -0.226 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.115 -3.665 1.335 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.097 -2.291 1.719 1.00 0.00 H new ATOM 0 HG SER A 52 10.385 -4.711 0.382 1.00 0.00 H new ATOM 851 N ASP A 53 12.864 -4.312 -1.303 1.00 0.00 N ATOM 852 CA ASP A 53 12.990 -5.539 -2.080 1.00 0.00 C ATOM 853 C ASP A 53 11.780 -6.444 -1.810 1.00 0.00 C ATOM 854 O ASP A 53 11.090 -6.272 -0.802 1.00 0.00 O ATOM 855 CB ASP A 53 14.305 -6.232 -1.685 1.00 0.00 C ATOM 856 CG ASP A 53 14.555 -7.545 -2.429 1.00 0.00 C ATOM 857 OD1 ASP A 53 14.192 -7.609 -3.625 1.00 0.00 O ATOM 858 OD2 ASP A 53 15.106 -8.463 -1.785 1.00 0.00 O ATOM 0 H ASP A 53 13.615 -4.176 -0.626 1.00 0.00 H new ATOM 0 HA ASP A 53 13.012 -5.320 -3.147 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.135 -5.552 -1.876 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.294 -6.428 -0.613 1.00 0.00 H new ATOM 863 N LEU A 54 11.534 -7.421 -2.695 1.00 0.00 N ATOM 864 CA LEU A 54 10.601 -8.496 -2.400 1.00 0.00 C ATOM 865 C LEU A 54 11.239 -9.334 -1.297 1.00 0.00 C ATOM 866 O LEU A 54 12.186 -10.083 -1.528 1.00 0.00 O ATOM 867 CB LEU A 54 10.262 -9.329 -3.643 1.00 0.00 C ATOM 868 CG LEU A 54 9.063 -10.281 -3.454 1.00 0.00 C ATOM 869 CD1 LEU A 54 9.165 -11.225 -2.255 1.00 0.00 C ATOM 870 CD2 LEU A 54 7.714 -9.557 -3.412 1.00 0.00 C ATOM 0 H LEU A 54 11.971 -7.481 -3.615 1.00 0.00 H new ATOM 0 HA LEU A 54 9.644 -8.093 -2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.050 -8.655 -4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 54 11.137 -9.915 -3.924 1.00 0.00 H new ATOM 0 HG LEU A 54 9.111 -10.897 -4.352 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.275 -11.852 -2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.048 -11.855 -2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.245 -10.641 -1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.914 -10.285 -3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.706 -8.851 -2.582 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.561 -9.019 -4.347 1.00 0.00 H new ATOM 882 N SER A 55 10.698 -9.179 -0.092 1.00 0.00 N ATOM 883 CA SER A 55 11.216 -9.762 1.128 1.00 0.00 C ATOM 884 C SER A 55 10.329 -10.942 1.510 1.00 0.00 C ATOM 885 O SER A 55 9.670 -10.920 2.545 1.00 0.00 O ATOM 886 CB SER A 55 11.262 -8.676 2.210 1.00 0.00 C ATOM 887 OG SER A 55 11.845 -9.182 3.393 1.00 0.00 O ATOM 0 H SER A 55 9.857 -8.623 0.060 1.00 0.00 H new ATOM 0 HA SER A 55 12.231 -10.138 1.001 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.835 -7.821 1.852 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.254 -8.319 2.418 1.00 0.00 H new ATOM 0 HG SER A 55 11.297 -9.917 3.739 1.00 0.00 H new ATOM 893 N PHE A 56 10.300 -11.984 0.671 1.00 0.00 N ATOM 894 CA PHE A 56 9.543 -13.179 1.000 1.00 0.00 C ATOM 895 C PHE A 56 10.177 -13.810 2.236 1.00 0.00 C ATOM 896 O PHE A 56 11.366 -14.131 2.223 1.00 0.00 O ATOM 897 CB PHE A 56 9.465 -14.153 -0.185 1.00 0.00 C ATOM 898 CG PHE A 56 10.718 -14.943 -0.489 1.00 0.00 C ATOM 899 CD1 PHE A 56 11.776 -14.351 -1.201 1.00 0.00 C ATOM 900 CD2 PHE A 56 10.855 -16.246 0.024 1.00 0.00 C ATOM 901 CE1 PHE A 56 12.984 -15.051 -1.374 1.00 0.00 C ATOM 902 CE2 PHE A 56 12.063 -16.944 -0.145 1.00 0.00 C ATOM 903 CZ PHE A 56 13.128 -16.346 -0.843 1.00 0.00 C ATOM 0 H PHE A 56 10.786 -12.017 -0.225 1.00 0.00 H new ATOM 0 HA PHE A 56 8.508 -12.916 1.220 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.655 -14.857 0.004 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.194 -13.586 -1.076 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.661 -13.360 -1.615 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.032 -16.710 0.548 1.00 0.00 H new ATOM 0 HE1 PHE A 56 13.800 -14.595 -1.914 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.174 -17.939 0.261 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.057 -16.881 -0.971 1.00 0.00 H new ATOM 913 N SER A 57 9.413 -13.944 3.325 1.00 0.00 N ATOM 914 CA SER A 57 9.966 -14.560 4.515 1.00 0.00 C ATOM 915 C SER A 57 10.220 -16.037 4.233 1.00 0.00 C ATOM 916 O SER A 57 9.439 -16.694 3.544 1.00 0.00 O ATOM 917 CB SER A 57 9.061 -14.395 5.734 1.00 0.00 C ATOM 918 OG SER A 57 9.690 -14.995 6.846 1.00 0.00 O ATOM 0 H SER A 57 8.442 -13.642 3.399 1.00 0.00 H new ATOM 0 HA SER A 57 10.902 -14.055 4.756 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.877 -13.338 5.928 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.092 -14.859 5.551 1.00 0.00 H new ATOM 0 HG SER A 57 9.203 -14.760 7.663 1.00 0.00 H new ATOM 924 N LYS A 58 11.300 -16.553 4.821 1.00 0.00 N ATOM 925 CA LYS A 58 11.583 -17.976 4.883 1.00 0.00 C ATOM 926 C LYS A 58 10.555 -18.691 5.760 1.00 0.00 C ATOM 927 O LYS A 58 10.383 -19.901 5.623 1.00 0.00 O ATOM 928 CB LYS A 58 13.031 -18.170 5.352 1.00 0.00 C ATOM 929 CG LYS A 58 14.000 -17.704 4.253 1.00 0.00 C ATOM 930 CD LYS A 58 15.418 -17.513 4.804 1.00 0.00 C ATOM 931 CE LYS A 58 16.386 -17.013 3.723 1.00 0.00 C ATOM 932 NZ LYS A 58 16.054 -15.651 3.265 1.00 0.00 N ATOM 0 H LYS A 58 12.011 -15.979 5.274 1.00 0.00 H new ATOM 0 HA LYS A 58 11.493 -18.431 3.897 1.00 0.00 H new ATOM 0 HB2 LYS A 58 13.205 -17.605 6.267 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.210 -19.219 5.586 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.017 -18.436 3.446 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.644 -16.767 3.825 1.00 0.00 H new ATOM 0 HD2 LYS A 58 15.395 -16.801 5.629 1.00 0.00 H new ATOM 0 HD3 LYS A 58 15.781 -18.458 5.209 1.00 0.00 H new ATOM 0 HE2 LYS A 58 17.403 -17.025 4.115 1.00 0.00 H new ATOM 0 HE3 LYS A 58 16.364 -17.696 2.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 16.807 -15.302 2.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 15.153 -15.669 2.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.968 -15.020 4.087 1.00 0.00 H new ATOM 946 N ASP A 59 9.803 -17.941 6.580 1.00 0.00 N ATOM 947 CA ASP A 59 8.657 -18.450 7.312 1.00 0.00 C ATOM 948 C ASP A 59 7.408 -18.496 6.420 1.00 0.00 C ATOM 949 O ASP A 59 6.330 -18.087 6.849 1.00 0.00 O ATOM 950 CB ASP A 59 8.415 -17.578 8.555 1.00 0.00 C ATOM 951 CG ASP A 59 9.666 -17.436 9.417 1.00 0.00 C ATOM 952 OD1 ASP A 59 10.034 -18.443 10.058 1.00 0.00 O ATOM 953 OD2 ASP A 59 10.234 -16.322 9.415 1.00 0.00 O ATOM 0 H ASP A 59 9.985 -16.952 6.748 1.00 0.00 H new ATOM 0 HA ASP A 59 8.866 -19.471 7.630 1.00 0.00 H new ATOM 0 HB2 ASP A 59 8.078 -16.590 8.242 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.614 -18.014 9.151 1.00 0.00 H new ATOM 958 N TRP A 60 7.561 -19.002 5.188 1.00 0.00 N ATOM 959 CA TRP A 60 6.512 -19.187 4.195 1.00 0.00 C ATOM 960 C TRP A 60 5.620 -17.958 4.067 1.00 0.00 C ATOM 961 O TRP A 60 4.528 -17.931 4.626 1.00 0.00 O ATOM 962 CB TRP A 60 5.714 -20.460 4.494 1.00 0.00 C ATOM 963 CG TRP A 60 6.553 -21.697 4.484 1.00 0.00 C ATOM 964 CD1 TRP A 60 7.205 -22.207 5.551 1.00 0.00 C ATOM 965 CD2 TRP A 60 6.922 -22.536 3.350 1.00 0.00 C ATOM 966 NE1 TRP A 60 7.946 -23.304 5.168 1.00 0.00 N ATOM 967 CE2 TRP A 60 7.813 -23.548 3.815 1.00 0.00 C ATOM 968 CE3 TRP A 60 6.610 -22.538 1.972 1.00 0.00 C ATOM 969 CZ2 TRP A 60 8.364 -24.511 2.958 1.00 0.00 C ATOM 970 CZ3 TRP A 60 7.150 -23.507 1.106 1.00 0.00 C ATOM 971 CH2 TRP A 60 8.028 -24.489 1.595 1.00 0.00 C ATOM 0 H TRP A 60 8.472 -19.307 4.846 1.00 0.00 H new ATOM 0 HA TRP A 60 6.986 -19.313 3.221 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.236 -20.361 5.469 1.00 0.00 H new ATOM 0 HB3 TRP A 60 4.917 -20.563 3.757 1.00 0.00 H new ATOM 0 HD1 TRP A 60 7.153 -21.814 6.555 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.518 -23.863 5.801 1.00 0.00 H new ATOM 0 HE3 TRP A 60 5.946 -21.783 1.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 9.039 -25.261 3.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 6.888 -23.496 0.058 1.00 0.00 H new ATOM 0 HH2 TRP A 60 8.444 -25.226 0.923 1.00 0.00 H new ATOM 982 N SER A 61 6.073 -16.953 3.314 1.00 0.00 N ATOM 983 CA SER A 61 5.280 -15.782 2.975 1.00 0.00 C ATOM 984 C SER A 61 5.817 -15.184 1.674 1.00 0.00 C ATOM 985 O SER A 61 6.653 -15.793 1.010 1.00 0.00 O ATOM 986 CB SER A 61 5.316 -14.779 4.137 1.00 0.00 C ATOM 987 OG SER A 61 4.311 -13.801 3.966 1.00 0.00 O ATOM 0 H SER A 61 7.014 -16.935 2.920 1.00 0.00 H new ATOM 0 HA SER A 61 4.236 -16.053 2.817 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.169 -15.301 5.083 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.295 -14.301 4.185 1.00 0.00 H new ATOM 0 HG SER A 61 4.341 -13.167 4.713 1.00 0.00 H new ATOM 993 N PHE A 62 5.331 -13.992 1.319 1.00 0.00 N ATOM 994 CA PHE A 62 5.723 -13.232 0.144 1.00 0.00 C ATOM 995 C PHE A 62 5.248 -11.805 0.406 1.00 0.00 C ATOM 996 O PHE A 62 4.056 -11.621 0.656 1.00 0.00 O ATOM 997 CB PHE A 62 5.057 -13.816 -1.114 1.00 0.00 C ATOM 998 CG PHE A 62 5.975 -13.882 -2.305 1.00 0.00 C ATOM 999 CD1 PHE A 62 6.907 -14.928 -2.395 1.00 0.00 C ATOM 1000 CD2 PHE A 62 5.982 -12.851 -3.259 1.00 0.00 C ATOM 1001 CE1 PHE A 62 7.853 -14.947 -3.427 1.00 0.00 C ATOM 1002 CE2 PHE A 62 6.956 -12.851 -4.268 1.00 0.00 C ATOM 1003 CZ PHE A 62 7.899 -13.891 -4.351 1.00 0.00 C ATOM 0 H PHE A 62 4.621 -13.514 1.873 1.00 0.00 H new ATOM 0 HA PHE A 62 6.799 -13.266 -0.028 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.693 -14.819 -0.890 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.187 -13.211 -1.369 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.894 -15.723 -1.664 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.243 -12.064 -3.216 1.00 0.00 H new ATOM 0 HE1 PHE A 62 8.545 -15.772 -3.512 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.982 -12.046 -4.987 1.00 0.00 H new ATOM 0 HZ PHE A 62 8.655 -13.877 -5.122 1.00 0.00 H new ATOM 1013 N TYR A 63 6.144 -10.805 0.421 1.00 0.00 N ATOM 1014 CA TYR A 63 5.712 -9.458 0.778 1.00 0.00 C ATOM 1015 C TYR A 63 6.738 -8.407 0.377 1.00 0.00 C ATOM 1016 O TYR A 63 7.849 -8.728 -0.041 1.00 0.00 O ATOM 1017 CB TYR A 63 5.493 -9.339 2.282 1.00 0.00 C ATOM 1018 CG TYR A 63 6.621 -9.772 3.172 1.00 0.00 C ATOM 1019 CD1 TYR A 63 7.605 -8.825 3.497 1.00 0.00 C ATOM 1020 CD2 TYR A 63 6.505 -10.952 3.920 1.00 0.00 C ATOM 1021 CE1 TYR A 63 8.518 -9.084 4.524 1.00 0.00 C ATOM 1022 CE2 TYR A 63 7.391 -11.192 4.978 1.00 0.00 C ATOM 1023 CZ TYR A 63 8.430 -10.283 5.255 1.00 0.00 C ATOM 1024 OH TYR A 63 9.347 -10.553 6.229 1.00 0.00 O ATOM 0 H TYR A 63 7.135 -10.903 0.198 1.00 0.00 H new ATOM 0 HA TYR A 63 4.781 -9.283 0.239 1.00 0.00 H new ATOM 0 HB2 TYR A 63 5.263 -8.298 2.509 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.612 -9.925 2.543 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.657 -7.894 2.952 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.736 -11.672 3.682 1.00 0.00 H new ATOM 0 HE1 TYR A 63 9.290 -8.365 4.756 1.00 0.00 H new ATOM 0 HE2 TYR A 63 7.277 -12.078 5.584 1.00 0.00 H new ATOM 0 HH TYR A 63 9.019 -11.284 6.794 1.00 0.00 H new ATOM 1034 N LEU A 64 6.344 -7.140 0.551 1.00 0.00 N ATOM 1035 CA LEU A 64 7.094 -5.964 0.140 1.00 0.00 C ATOM 1036 C LEU A 64 6.400 -4.728 0.712 1.00 0.00 C ATOM 1037 O LEU A 64 5.177 -4.704 0.831 1.00 0.00 O ATOM 1038 CB LEU A 64 7.259 -5.894 -1.394 1.00 0.00 C ATOM 1039 CG LEU A 64 5.967 -5.680 -2.205 1.00 0.00 C ATOM 1040 CD1 LEU A 64 6.196 -5.853 -3.713 1.00 0.00 C ATOM 1041 CD2 LEU A 64 4.860 -6.678 -1.859 1.00 0.00 C ATOM 0 H LEU A 64 5.459 -6.905 1.000 1.00 0.00 H new ATOM 0 HA LEU A 64 8.108 -6.017 0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.949 -5.084 -1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.727 -6.819 -1.731 1.00 0.00 H new ATOM 0 HG LEU A 64 5.670 -4.664 -1.947 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.258 -5.693 -4.244 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.935 -5.128 -4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.558 -6.861 -3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.979 -6.470 -2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.208 -7.691 -2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.603 -6.585 -0.804 1.00 0.00 H new ATOM 1053 N LEU A 65 7.193 -3.726 1.099 1.00 0.00 N ATOM 1054 CA LEU A 65 6.749 -2.480 1.700 1.00 0.00 C ATOM 1055 C LEU A 65 6.815 -1.405 0.615 1.00 0.00 C ATOM 1056 O LEU A 65 7.809 -1.354 -0.105 1.00 0.00 O ATOM 1057 CB LEU A 65 7.691 -2.186 2.875 1.00 0.00 C ATOM 1058 CG LEU A 65 7.048 -1.386 4.014 1.00 0.00 C ATOM 1059 CD1 LEU A 65 8.113 -1.134 5.081 1.00 0.00 C ATOM 1060 CD2 LEU A 65 6.453 -0.063 3.530 1.00 0.00 C ATOM 0 H LEU A 65 8.207 -3.770 0.994 1.00 0.00 H new ATOM 0 HA LEU A 65 5.728 -2.519 2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.061 -3.130 3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.556 -1.636 2.503 1.00 0.00 H new ATOM 0 HG LEU A 65 6.221 -1.964 4.425 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.677 -0.565 5.903 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.485 -2.087 5.456 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.938 -0.569 4.646 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.010 0.467 4.373 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.239 0.550 3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.685 -0.261 2.782 1.00 0.00 H new ATOM 1072 N TYR A 66 5.764 -0.587 0.463 1.00 0.00 N ATOM 1073 CA TYR A 66 5.593 0.327 -0.658 1.00 0.00 C ATOM 1074 C TYR A 66 5.238 1.726 -0.134 1.00 0.00 C ATOM 1075 O TYR A 66 4.074 2.008 0.152 1.00 0.00 O ATOM 1076 CB TYR A 66 4.491 -0.194 -1.609 1.00 0.00 C ATOM 1077 CG TYR A 66 4.376 -1.692 -1.878 1.00 0.00 C ATOM 1078 CD1 TYR A 66 3.794 -2.529 -0.900 1.00 0.00 C ATOM 1079 CD2 TYR A 66 4.445 -2.156 -3.209 1.00 0.00 C ATOM 1080 CE1 TYR A 66 3.189 -3.741 -1.264 1.00 0.00 C ATOM 1081 CE2 TYR A 66 3.802 -3.351 -3.577 1.00 0.00 C ATOM 1082 CZ TYR A 66 3.096 -4.090 -2.618 1.00 0.00 C ATOM 1083 OH TYR A 66 2.326 -5.149 -2.995 1.00 0.00 O ATOM 0 H TYR A 66 4.997 -0.547 1.134 1.00 0.00 H new ATOM 0 HA TYR A 66 6.526 0.387 -1.218 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.533 0.141 -1.213 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.629 0.301 -2.570 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.815 -2.233 0.138 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.994 -1.591 -3.948 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.797 -4.402 -0.505 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.852 -3.699 -4.598 1.00 0.00 H new ATOM 0 HH TYR A 66 1.732 -5.401 -2.257 1.00 0.00 H new ATOM 1093 N TYR A 67 6.248 2.591 0.021 1.00 0.00 N ATOM 1094 CA TYR A 67 6.116 3.870 0.711 1.00 0.00 C ATOM 1095 C TYR A 67 6.368 5.083 -0.182 1.00 0.00 C ATOM 1096 O TYR A 67 6.980 4.991 -1.243 1.00 0.00 O ATOM 1097 CB TYR A 67 7.035 3.908 1.943 1.00 0.00 C ATOM 1098 CG TYR A 67 8.384 3.214 1.825 1.00 0.00 C ATOM 1099 CD1 TYR A 67 9.201 3.402 0.697 1.00 0.00 C ATOM 1100 CD2 TYR A 67 8.791 2.316 2.826 1.00 0.00 C ATOM 1101 CE1 TYR A 67 10.361 2.629 0.526 1.00 0.00 C ATOM 1102 CE2 TYR A 67 9.949 1.540 2.654 1.00 0.00 C ATOM 1103 CZ TYR A 67 10.725 1.679 1.494 1.00 0.00 C ATOM 1104 OH TYR A 67 11.825 0.890 1.315 1.00 0.00 O ATOM 0 H TYR A 67 7.188 2.416 -0.335 1.00 0.00 H new ATOM 0 HA TYR A 67 5.074 3.940 1.024 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.213 4.952 2.199 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.497 3.462 2.780 1.00 0.00 H new ATOM 0 HD1 TYR A 67 8.936 4.144 -0.041 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.211 2.222 3.732 1.00 0.00 H new ATOM 0 HE1 TYR A 67 10.975 2.766 -0.352 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.243 0.834 3.417 1.00 0.00 H new ATOM 0 HH TYR A 67 11.927 0.291 2.084 1.00 0.00 H new ATOM 1114 N THR A 68 5.881 6.233 0.287 1.00 0.00 N ATOM 1115 CA THR A 68 6.059 7.519 -0.380 1.00 0.00 C ATOM 1116 C THR A 68 6.069 8.665 0.640 1.00 0.00 C ATOM 1117 O THR A 68 5.534 8.522 1.739 1.00 0.00 O ATOM 1118 CB THR A 68 4.974 7.726 -1.449 1.00 0.00 C ATOM 1119 OG1 THR A 68 5.302 8.862 -2.227 1.00 0.00 O ATOM 1120 CG2 THR A 68 3.572 7.899 -0.864 1.00 0.00 C ATOM 0 H THR A 68 5.345 6.296 1.153 1.00 0.00 H new ATOM 0 HA THR A 68 7.026 7.518 -0.882 1.00 0.00 H new ATOM 0 HB THR A 68 4.950 6.823 -2.060 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.041 8.642 -2.832 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.855 8.041 -1.673 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.304 7.010 -0.293 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.556 8.770 -0.209 1.00 0.00 H new ATOM 1128 N GLU A 69 6.626 9.817 0.253 1.00 0.00 N ATOM 1129 CA GLU A 69 6.668 11.034 1.056 1.00 0.00 C ATOM 1130 C GLU A 69 5.460 11.920 0.722 1.00 0.00 C ATOM 1131 O GLU A 69 5.607 12.942 0.053 1.00 0.00 O ATOM 1132 CB GLU A 69 7.990 11.759 0.781 1.00 0.00 C ATOM 1133 CG GLU A 69 9.195 10.952 1.260 1.00 0.00 C ATOM 1134 CD GLU A 69 10.509 11.682 1.000 1.00 0.00 C ATOM 1135 OE1 GLU A 69 10.847 11.842 -0.195 1.00 0.00 O ATOM 1136 OE2 GLU A 69 11.156 12.064 1.999 1.00 0.00 O ATOM 0 H GLU A 69 7.073 9.927 -0.657 1.00 0.00 H new ATOM 0 HA GLU A 69 6.616 10.792 2.118 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.083 11.950 -0.288 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.982 12.729 1.279 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.096 10.751 2.327 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.210 9.987 0.754 1.00 0.00 H new ATOM 1143 N PHE A 70 4.261 11.523 1.170 1.00 0.00 N ATOM 1144 CA PHE A 70 3.019 12.185 0.785 1.00 0.00 C ATOM 1145 C PHE A 70 2.805 13.512 1.506 1.00 0.00 C ATOM 1146 O PHE A 70 3.112 13.646 2.687 1.00 0.00 O ATOM 1147 CB PHE A 70 1.799 11.293 1.035 1.00 0.00 C ATOM 1148 CG PHE A 70 1.242 11.336 2.443 1.00 0.00 C ATOM 1149 CD1 PHE A 70 1.998 10.794 3.490 1.00 0.00 C ATOM 1150 CD2 PHE A 70 0.044 12.016 2.736 1.00 0.00 C ATOM 1151 CE1 PHE A 70 1.466 10.729 4.783 1.00 0.00 C ATOM 1152 CE2 PHE A 70 -0.348 12.173 4.075 1.00 0.00 C ATOM 1153 CZ PHE A 70 0.344 11.504 5.098 1.00 0.00 C ATOM 0 H PHE A 70 4.131 10.737 1.807 1.00 0.00 H new ATOM 0 HA PHE A 70 3.120 12.382 -0.282 1.00 0.00 H new ATOM 0 HB2 PHE A 70 1.010 11.582 0.341 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.068 10.263 0.800 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.995 10.425 3.299 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.567 12.413 1.939 1.00 0.00 H new ATOM 0 HE1 PHE A 70 1.915 10.089 5.528 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.185 12.811 4.319 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.012 11.587 6.122 1.00 0.00 H new ATOM 1163 N THR A 71 2.202 14.458 0.787 1.00 0.00 N ATOM 1164 CA THR A 71 1.812 15.765 1.291 1.00 0.00 C ATOM 1165 C THR A 71 0.288 15.883 1.163 1.00 0.00 C ATOM 1166 O THR A 71 -0.205 16.001 0.042 1.00 0.00 O ATOM 1167 CB THR A 71 2.513 16.858 0.470 1.00 0.00 C ATOM 1168 OG1 THR A 71 3.903 16.619 0.415 1.00 0.00 O ATOM 1169 CG2 THR A 71 2.281 18.232 1.104 1.00 0.00 C ATOM 0 H THR A 71 1.965 14.326 -0.196 1.00 0.00 H new ATOM 0 HA THR A 71 2.103 15.885 2.335 1.00 0.00 H new ATOM 0 HB THR A 71 2.096 16.839 -0.537 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.335 17.323 -0.113 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.784 18.996 0.511 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.212 18.442 1.136 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.682 18.237 2.118 1.00 0.00 H new ATOM 1177 N PRO A 72 -0.476 15.857 2.265 1.00 0.00 N ATOM 1178 CA PRO A 72 -1.924 15.984 2.227 1.00 0.00 C ATOM 1179 C PRO A 72 -2.292 17.455 2.031 1.00 0.00 C ATOM 1180 O PRO A 72 -2.652 18.148 2.980 1.00 0.00 O ATOM 1181 CB PRO A 72 -2.412 15.416 3.559 1.00 0.00 C ATOM 1182 CG PRO A 72 -1.246 15.693 4.512 1.00 0.00 C ATOM 1183 CD PRO A 72 0.001 15.697 3.626 1.00 0.00 C ATOM 0 HA PRO A 72 -2.391 15.445 1.403 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.328 15.904 3.892 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.627 14.350 3.486 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -1.371 16.649 5.021 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.178 14.927 5.285 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.673 16.510 3.902 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.561 14.769 3.737 1.00 0.00 H new ATOM 1191 N THR A 73 -2.176 17.932 0.789 1.00 0.00 N ATOM 1192 CA THR A 73 -2.461 19.311 0.421 1.00 0.00 C ATOM 1193 C THR A 73 -3.943 19.611 0.673 1.00 0.00 C ATOM 1194 O THR A 73 -4.807 19.148 -0.066 1.00 0.00 O ATOM 1195 CB THR A 73 -2.038 19.581 -1.033 1.00 0.00 C ATOM 1196 OG1 THR A 73 -2.626 18.658 -1.925 1.00 0.00 O ATOM 1197 CG2 THR A 73 -0.516 19.515 -1.202 1.00 0.00 C ATOM 0 H THR A 73 -1.876 17.357 0.002 1.00 0.00 H new ATOM 0 HA THR A 73 -1.877 19.990 1.043 1.00 0.00 H new ATOM 0 HB THR A 73 -2.386 20.587 -1.267 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.338 18.858 -2.840 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.257 19.711 -2.242 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.046 20.263 -0.564 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.161 18.524 -0.920 1.00 0.00 H new ATOM 1205 N GLU A 74 -4.228 20.361 1.745 1.00 0.00 N ATOM 1206 CA GLU A 74 -5.568 20.658 2.234 1.00 0.00 C ATOM 1207 C GLU A 74 -6.316 19.374 2.620 1.00 0.00 C ATOM 1208 O GLU A 74 -6.134 18.878 3.730 1.00 0.00 O ATOM 1209 CB GLU A 74 -6.318 21.575 1.252 1.00 0.00 C ATOM 1210 CG GLU A 74 -7.627 22.097 1.856 1.00 0.00 C ATOM 1211 CD GLU A 74 -8.367 22.994 0.869 1.00 0.00 C ATOM 1212 OE1 GLU A 74 -9.098 22.427 0.028 1.00 0.00 O ATOM 1213 OE2 GLU A 74 -8.182 24.226 0.969 1.00 0.00 O ATOM 0 H GLU A 74 -3.498 20.791 2.313 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.498 21.228 3.161 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.681 22.417 0.980 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.533 21.028 0.334 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.263 21.257 2.136 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.414 22.653 2.769 1.00 0.00 H new ATOM 1220 N LYS A 75 -7.145 18.843 1.712 1.00 0.00 N ATOM 1221 CA LYS A 75 -7.892 17.601 1.874 1.00 0.00 C ATOM 1222 C LYS A 75 -7.661 16.708 0.645 1.00 0.00 C ATOM 1223 O LYS A 75 -8.533 15.933 0.251 1.00 0.00 O ATOM 1224 CB LYS A 75 -9.370 17.946 2.146 1.00 0.00 C ATOM 1225 CG LYS A 75 -10.290 16.729 2.364 1.00 0.00 C ATOM 1226 CD LYS A 75 -11.325 16.613 1.232 1.00 0.00 C ATOM 1227 CE LYS A 75 -11.947 15.216 1.122 1.00 0.00 C ATOM 1228 NZ LYS A 75 -10.958 14.200 0.718 1.00 0.00 N ATOM 0 H LYS A 75 -7.316 19.289 0.811 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.546 17.024 2.732 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.423 18.586 3.027 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.753 18.527 1.307 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.691 15.819 2.409 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.802 16.822 3.322 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.117 17.344 1.396 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.848 16.867 0.285 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.382 14.937 2.082 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.761 15.238 0.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.327 13.657 -0.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.071 14.669 0.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.777 13.556 1.514 1.00 0.00 H new ATOM 1242 N ASP A 76 -6.460 16.777 0.054 1.00 0.00 N ATOM 1243 CA ASP A 76 -6.048 15.816 -0.958 1.00 0.00 C ATOM 1244 C ASP A 76 -5.866 14.464 -0.265 1.00 0.00 C ATOM 1245 O ASP A 76 -4.976 14.315 0.570 1.00 0.00 O ATOM 1246 CB ASP A 76 -4.783 16.300 -1.671 1.00 0.00 C ATOM 1247 CG ASP A 76 -4.449 15.512 -2.937 1.00 0.00 C ATOM 1248 OD1 ASP A 76 -5.088 14.462 -3.170 1.00 0.00 O ATOM 1249 OD2 ASP A 76 -3.548 15.988 -3.664 1.00 0.00 O ATOM 0 H ASP A 76 -5.763 17.491 0.265 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.803 15.710 -1.737 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.903 17.352 -1.930 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.941 16.236 -0.981 1.00 0.00 H new ATOM 1254 N GLU A 77 -6.762 13.517 -0.564 1.00 0.00 N ATOM 1255 CA GLU A 77 -6.838 12.212 0.080 1.00 0.00 C ATOM 1256 C GLU A 77 -5.808 11.277 -0.557 1.00 0.00 C ATOM 1257 O GLU A 77 -5.514 11.425 -1.740 1.00 0.00 O ATOM 1258 CB GLU A 77 -8.263 11.661 -0.095 1.00 0.00 C ATOM 1259 CG GLU A 77 -8.675 10.685 1.016 1.00 0.00 C ATOM 1260 CD GLU A 77 -8.946 11.398 2.341 1.00 0.00 C ATOM 1261 OE1 GLU A 77 -9.864 12.250 2.356 1.00 0.00 O ATOM 1262 OE2 GLU A 77 -8.245 11.078 3.325 1.00 0.00 O ATOM 0 H GLU A 77 -7.473 13.647 -1.283 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.618 12.293 1.144 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.967 12.493 -0.118 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.335 11.156 -1.058 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.569 10.143 0.708 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.887 9.945 1.158 1.00 0.00 H new ATOM 1269 N TYR A 78 -5.256 10.334 0.219 1.00 0.00 N ATOM 1270 CA TYR A 78 -4.262 9.366 -0.237 1.00 0.00 C ATOM 1271 C TYR A 78 -4.729 7.950 0.111 1.00 0.00 C ATOM 1272 O TYR A 78 -5.309 7.726 1.175 1.00 0.00 O ATOM 1273 CB TYR A 78 -2.879 9.689 0.345 1.00 0.00 C ATOM 1274 CG TYR A 78 -2.159 10.854 -0.311 1.00 0.00 C ATOM 1275 CD1 TYR A 78 -2.653 12.158 -0.139 1.00 0.00 C ATOM 1276 CD2 TYR A 78 -0.989 10.654 -1.065 1.00 0.00 C ATOM 1277 CE1 TYR A 78 -2.047 13.247 -0.786 1.00 0.00 C ATOM 1278 CE2 TYR A 78 -0.340 11.759 -1.652 1.00 0.00 C ATOM 1279 CZ TYR A 78 -0.874 13.050 -1.528 1.00 0.00 C ATOM 1280 OH TYR A 78 -0.253 14.100 -2.140 1.00 0.00 O ATOM 0 H TYR A 78 -5.497 10.225 1.204 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.162 9.427 -1.321 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.991 9.903 1.408 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.251 8.802 0.263 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.509 12.325 0.498 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.590 9.659 -1.194 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.483 14.232 -0.712 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.577 11.610 -2.202 1.00 0.00 H new ATOM 0 HH TYR A 78 -0.164 14.842 -1.506 1.00 0.00 H new ATOM 1290 N ALA A 79 -4.498 7.005 -0.811 1.00 0.00 N ATOM 1291 CA ALA A 79 -4.964 5.627 -0.727 1.00 0.00 C ATOM 1292 C ALA A 79 -3.962 4.685 -1.395 1.00 0.00 C ATOM 1293 O ALA A 79 -3.007 5.136 -2.029 1.00 0.00 O ATOM 1294 CB ALA A 79 -6.342 5.511 -1.393 1.00 0.00 C ATOM 0 H ALA A 79 -3.964 7.192 -1.660 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.051 5.340 0.321 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.691 4.480 -1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.049 6.165 -0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.266 5.805 -2.440 1.00 0.00 H new ATOM 1300 N CYS A 80 -4.196 3.375 -1.247 1.00 0.00 N ATOM 1301 CA CYS A 80 -3.387 2.315 -1.835 1.00 0.00 C ATOM 1302 C CYS A 80 -4.290 1.474 -2.742 1.00 0.00 C ATOM 1303 O CYS A 80 -5.351 1.035 -2.296 1.00 0.00 O ATOM 1304 CB CYS A 80 -2.795 1.429 -0.724 1.00 0.00 C ATOM 1305 SG CYS A 80 -2.030 2.265 0.698 1.00 0.00 S ATOM 0 H CYS A 80 -4.978 3.019 -0.697 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.566 2.744 -2.410 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.590 0.785 -0.348 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.045 0.779 -1.176 1.00 0.00 H new ATOM 1310 N ARG A 81 -3.869 1.194 -3.984 1.00 0.00 N ATOM 1311 CA ARG A 81 -4.442 0.080 -4.733 1.00 0.00 C ATOM 1312 C ARG A 81 -4.053 -1.194 -3.986 1.00 0.00 C ATOM 1313 O ARG A 81 -2.922 -1.290 -3.523 1.00 0.00 O ATOM 1314 CB ARG A 81 -3.874 0.038 -6.161 1.00 0.00 C ATOM 1315 CG ARG A 81 -4.404 -1.155 -6.980 1.00 0.00 C ATOM 1316 CD ARG A 81 -3.646 -1.382 -8.291 1.00 0.00 C ATOM 1317 NE ARG A 81 -3.686 -0.211 -9.174 1.00 0.00 N ATOM 1318 CZ ARG A 81 -3.439 -0.224 -10.497 1.00 0.00 C ATOM 1319 NH1 ARG A 81 -3.299 -1.371 -11.177 1.00 0.00 N ATOM 1320 NH2 ARG A 81 -3.322 0.938 -11.154 1.00 0.00 N ATOM 0 H ARG A 81 -3.146 1.717 -4.479 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.524 0.185 -4.811 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.126 0.966 -6.675 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.786 -0.015 -6.113 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.342 -2.058 -6.373 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.459 -0.992 -7.203 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.608 -1.630 -8.068 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.074 -2.239 -8.810 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.920 0.687 -8.750 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -3.379 -2.265 -10.692 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.112 -1.350 -12.180 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.420 1.820 -10.651 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.135 0.940 -12.157 1.00 0.00 H new ATOM 1334 N VAL A 82 -4.949 -2.178 -3.876 1.00 0.00 N ATOM 1335 CA VAL A 82 -4.571 -3.503 -3.432 1.00 0.00 C ATOM 1336 C VAL A 82 -5.220 -4.504 -4.381 1.00 0.00 C ATOM 1337 O VAL A 82 -6.407 -4.797 -4.254 1.00 0.00 O ATOM 1338 CB VAL A 82 -4.980 -3.725 -1.969 1.00 0.00 C ATOM 1339 CG1 VAL A 82 -4.429 -5.080 -1.526 1.00 0.00 C ATOM 1340 CG2 VAL A 82 -4.438 -2.630 -1.038 1.00 0.00 C ATOM 0 H VAL A 82 -5.940 -2.072 -4.091 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.489 -3.632 -3.459 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.068 -3.693 -1.906 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.706 -5.263 -0.488 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.845 -5.866 -2.157 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.343 -5.079 -1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.755 -2.833 -0.015 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.349 -2.618 -1.085 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.825 -1.661 -1.352 1.00 0.00 H new ATOM 1350 N ASN A 83 -4.431 -5.030 -5.324 1.00 0.00 N ATOM 1351 CA ASN A 83 -4.841 -6.126 -6.183 1.00 0.00 C ATOM 1352 C ASN A 83 -3.705 -7.140 -6.260 1.00 0.00 C ATOM 1353 O ASN A 83 -2.857 -7.052 -7.143 1.00 0.00 O ATOM 1354 CB ASN A 83 -5.226 -5.608 -7.573 1.00 0.00 C ATOM 1355 CG ASN A 83 -5.777 -6.738 -8.443 1.00 0.00 C ATOM 1356 OD1 ASN A 83 -5.183 -7.092 -9.458 1.00 0.00 O ATOM 1357 ND2 ASN A 83 -6.906 -7.320 -8.035 1.00 0.00 N ATOM 0 H ASN A 83 -3.484 -4.698 -5.507 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.723 -6.612 -5.767 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.973 -4.820 -7.478 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.354 -5.165 -8.055 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.306 -8.089 -8.572 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.369 -6.996 -7.186 1.00 0.00 H new ATOM 1364 N HIS A 84 -3.701 -8.124 -5.353 1.00 0.00 N ATOM 1365 CA HIS A 84 -2.909 -9.331 -5.544 1.00 0.00 C ATOM 1366 C HIS A 84 -3.605 -10.123 -6.658 1.00 0.00 C ATOM 1367 O HIS A 84 -4.804 -9.940 -6.871 1.00 0.00 O ATOM 1368 CB HIS A 84 -2.867 -10.119 -4.235 1.00 0.00 C ATOM 1369 CG HIS A 84 -2.143 -11.429 -4.362 1.00 0.00 C ATOM 1370 ND1 HIS A 84 -2.846 -12.624 -4.471 1.00 0.00 N ATOM 1371 CD2 HIS A 84 -0.802 -11.689 -4.456 1.00 0.00 C ATOM 1372 CE1 HIS A 84 -1.908 -13.564 -4.589 1.00 0.00 C ATOM 1373 NE2 HIS A 84 -0.665 -13.054 -4.600 1.00 0.00 N ATOM 0 H HIS A 84 -4.237 -8.103 -4.485 1.00 0.00 H new ATOM 0 HA HIS A 84 -1.877 -9.115 -5.822 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.382 -9.515 -3.469 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -3.886 -10.305 -3.896 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -0.003 -10.963 -4.424 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.124 -14.619 -4.667 1.00 0.00 H new ATOM 0 HE2 HIS A 84 0.208 -13.574 -4.696 1.00 0.00 H new ATOM 1381 N VAL A 85 -2.884 -10.993 -7.372 1.00 0.00 N ATOM 1382 CA VAL A 85 -3.452 -11.738 -8.494 1.00 0.00 C ATOM 1383 C VAL A 85 -4.750 -12.465 -8.121 1.00 0.00 C ATOM 1384 O VAL A 85 -5.665 -12.533 -8.941 1.00 0.00 O ATOM 1385 CB VAL A 85 -2.405 -12.673 -9.124 1.00 0.00 C ATOM 1386 CG1 VAL A 85 -1.910 -13.776 -8.182 1.00 0.00 C ATOM 1387 CG2 VAL A 85 -2.926 -13.313 -10.416 1.00 0.00 C ATOM 0 H VAL A 85 -1.901 -11.197 -7.190 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.735 -11.012 -9.257 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.555 -12.028 -9.345 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.175 -14.393 -8.699 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.451 -13.324 -7.303 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.752 -14.396 -7.874 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.160 -13.967 -10.833 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.821 -13.896 -10.198 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.168 -12.532 -11.137 1.00 0.00 H new ATOM 1397 N THR A 86 -4.850 -12.982 -6.888 1.00 0.00 N ATOM 1398 CA THR A 86 -6.018 -13.739 -6.457 1.00 0.00 C ATOM 1399 C THR A 86 -7.207 -12.852 -6.050 1.00 0.00 C ATOM 1400 O THR A 86 -8.328 -13.356 -5.982 1.00 0.00 O ATOM 1401 CB THR A 86 -5.624 -14.803 -5.422 1.00 0.00 C ATOM 1402 OG1 THR A 86 -6.484 -15.914 -5.544 1.00 0.00 O ATOM 1403 CG2 THR A 86 -5.687 -14.314 -3.978 1.00 0.00 C ATOM 0 H THR A 86 -4.128 -12.885 -6.174 1.00 0.00 H new ATOM 0 HA THR A 86 -6.401 -14.281 -7.321 1.00 0.00 H new ATOM 0 HB THR A 86 -4.586 -15.061 -5.635 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.396 -15.604 -5.725 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.395 -15.122 -3.307 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.007 -13.472 -3.849 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.704 -13.999 -3.745 1.00 0.00 H new ATOM 1411 N LEU A 87 -7.008 -11.541 -5.825 1.00 0.00 N ATOM 1412 CA LEU A 87 -8.127 -10.614 -5.688 1.00 0.00 C ATOM 1413 C LEU A 87 -8.802 -10.455 -7.051 1.00 0.00 C ATOM 1414 O LEU A 87 -8.235 -9.853 -7.962 1.00 0.00 O ATOM 1415 CB LEU A 87 -7.670 -9.244 -5.154 1.00 0.00 C ATOM 1416 CG LEU A 87 -7.776 -9.105 -3.629 1.00 0.00 C ATOM 1417 CD1 LEU A 87 -6.973 -10.175 -2.890 1.00 0.00 C ATOM 1418 CD2 LEU A 87 -7.284 -7.713 -3.217 1.00 0.00 C ATOM 0 H LEU A 87 -6.088 -11.110 -5.736 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.833 -11.021 -4.964 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.636 -9.075 -5.454 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.269 -8.464 -5.623 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.822 -9.239 -3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.081 -10.033 -1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.344 -11.163 -3.165 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.921 -10.094 -3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.356 -7.607 -2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.246 -7.588 -3.525 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.899 -6.953 -3.698 1.00 0.00 H new ATOM 1430 N SER A 88 -10.036 -10.960 -7.168 1.00 0.00 N ATOM 1431 CA SER A 88 -10.875 -10.787 -8.348 1.00 0.00 C ATOM 1432 C SER A 88 -11.554 -9.405 -8.374 1.00 0.00 C ATOM 1433 O SER A 88 -12.400 -9.161 -9.232 1.00 0.00 O ATOM 1434 CB SER A 88 -11.905 -11.922 -8.396 1.00 0.00 C ATOM 1435 OG SER A 88 -11.254 -13.178 -8.412 1.00 0.00 O ATOM 0 H SER A 88 -10.481 -11.508 -6.432 1.00 0.00 H new ATOM 0 HA SER A 88 -10.247 -10.832 -9.238 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.566 -11.859 -7.532 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.530 -11.818 -9.283 1.00 0.00 H new ATOM 0 HG SER A 88 -11.923 -13.893 -8.441 1.00 0.00 H new ATOM 1441 N GLN A 89 -11.186 -8.503 -7.450 1.00 0.00 N ATOM 1442 CA GLN A 89 -11.640 -7.124 -7.382 1.00 0.00 C ATOM 1443 C GLN A 89 -10.490 -6.275 -6.811 1.00 0.00 C ATOM 1444 O GLN A 89 -10.012 -6.573 -5.718 1.00 0.00 O ATOM 1445 CB GLN A 89 -12.920 -7.022 -6.535 1.00 0.00 C ATOM 1446 CG GLN A 89 -12.847 -7.754 -5.187 1.00 0.00 C ATOM 1447 CD GLN A 89 -14.030 -7.409 -4.287 1.00 0.00 C ATOM 1448 OE1 GLN A 89 -13.843 -6.814 -3.227 1.00 0.00 O ATOM 1449 NE2 GLN A 89 -15.243 -7.787 -4.694 1.00 0.00 N ATOM 0 H GLN A 89 -10.534 -8.736 -6.701 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.897 -6.749 -8.373 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -13.138 -5.970 -6.352 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -13.754 -7.425 -7.109 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.824 -8.830 -5.359 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.918 -7.492 -4.681 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -15.353 -8.279 -5.581 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -16.060 -7.584 -4.118 1.00 0.00 H new ATOM 1458 N PRO A 90 -9.997 -5.244 -7.519 1.00 0.00 N ATOM 1459 CA PRO A 90 -8.896 -4.422 -7.040 1.00 0.00 C ATOM 1460 C PRO A 90 -9.416 -3.456 -5.968 1.00 0.00 C ATOM 1461 O PRO A 90 -10.188 -2.546 -6.265 1.00 0.00 O ATOM 1462 CB PRO A 90 -8.374 -3.700 -8.285 1.00 0.00 C ATOM 1463 CG PRO A 90 -9.616 -3.552 -9.160 1.00 0.00 C ATOM 1464 CD PRO A 90 -10.411 -4.823 -8.850 1.00 0.00 C ATOM 0 HA PRO A 90 -8.095 -4.992 -6.569 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -7.942 -2.731 -8.035 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.596 -4.276 -8.786 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.180 -2.653 -8.911 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.359 -3.485 -10.217 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -11.483 -4.629 -8.882 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -10.206 -5.600 -9.586 1.00 0.00 H new ATOM 1472 N LYS A 91 -9.012 -3.676 -4.712 1.00 0.00 N ATOM 1473 CA LYS A 91 -9.490 -2.928 -3.559 1.00 0.00 C ATOM 1474 C LYS A 91 -8.701 -1.626 -3.427 1.00 0.00 C ATOM 1475 O LYS A 91 -7.621 -1.625 -2.837 1.00 0.00 O ATOM 1476 CB LYS A 91 -9.325 -3.782 -2.293 1.00 0.00 C ATOM 1477 CG LYS A 91 -10.345 -4.921 -2.217 1.00 0.00 C ATOM 1478 CD LYS A 91 -10.168 -5.667 -0.887 1.00 0.00 C ATOM 1479 CE LYS A 91 -11.222 -6.762 -0.689 1.00 0.00 C ATOM 1480 NZ LYS A 91 -11.214 -7.748 -1.783 1.00 0.00 N ATOM 0 H LYS A 91 -8.330 -4.395 -4.471 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.545 -2.687 -3.690 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.318 -4.198 -2.268 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.429 -3.146 -1.414 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.357 -4.525 -2.294 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.207 -5.606 -3.054 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.174 -6.112 -0.852 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.227 -4.956 -0.063 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.041 -7.271 0.258 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -12.209 -6.305 -0.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.266 -8.708 -1.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.033 -7.585 -2.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.337 -7.649 -2.333 1.00 0.00 H new ATOM 1494 N ILE A 92 -9.239 -0.515 -3.948 1.00 0.00 N ATOM 1495 CA ILE A 92 -8.600 0.789 -3.841 1.00 0.00 C ATOM 1496 C ILE A 92 -8.971 1.421 -2.492 1.00 0.00 C ATOM 1497 O ILE A 92 -9.673 2.429 -2.436 1.00 0.00 O ATOM 1498 CB ILE A 92 -8.971 1.689 -5.038 1.00 0.00 C ATOM 1499 CG1 ILE A 92 -9.016 0.965 -6.396 1.00 0.00 C ATOM 1500 CG2 ILE A 92 -7.976 2.856 -5.098 1.00 0.00 C ATOM 1501 CD1 ILE A 92 -7.727 0.223 -6.752 1.00 0.00 C ATOM 0 H ILE A 92 -10.126 -0.502 -4.452 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.517 0.672 -3.876 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.990 2.036 -4.866 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.842 0.254 -6.389 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -9.230 1.694 -7.177 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.224 3.503 -5.940 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.030 3.428 -4.172 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -6.966 2.467 -5.225 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -7.841 -0.260 -7.723 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -6.899 0.931 -6.794 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.520 -0.532 -5.993 1.00 0.00 H new ATOM 1513 N VAL A 93 -8.523 0.801 -1.396 1.00 0.00 N ATOM 1514 CA VAL A 93 -8.900 1.184 -0.041 1.00 0.00 C ATOM 1515 C VAL A 93 -7.964 2.280 0.473 1.00 0.00 C ATOM 1516 O VAL A 93 -6.764 2.269 0.198 1.00 0.00 O ATOM 1517 CB VAL A 93 -8.928 -0.072 0.849 1.00 0.00 C ATOM 1518 CG1 VAL A 93 -9.049 0.257 2.342 1.00 0.00 C ATOM 1519 CG2 VAL A 93 -10.127 -0.945 0.454 1.00 0.00 C ATOM 0 H VAL A 93 -7.880 0.010 -1.430 1.00 0.00 H new ATOM 0 HA VAL A 93 -9.903 1.610 -0.023 1.00 0.00 H new ATOM 0 HB VAL A 93 -7.982 -0.591 0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -9.064 -0.668 2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.198 0.864 2.651 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.972 0.810 2.519 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -10.151 -1.836 1.082 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.049 -0.380 0.591 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.034 -1.240 -0.591 1.00 0.00 H new ATOM 1529 N LYS A 94 -8.537 3.240 1.212 1.00 0.00 N ATOM 1530 CA LYS A 94 -7.815 4.377 1.759 1.00 0.00 C ATOM 1531 C LYS A 94 -6.793 3.946 2.810 1.00 0.00 C ATOM 1532 O LYS A 94 -6.873 2.851 3.362 1.00 0.00 O ATOM 1533 CB LYS A 94 -8.790 5.424 2.319 1.00 0.00 C ATOM 1534 CG LYS A 94 -9.513 4.948 3.586 1.00 0.00 C ATOM 1535 CD LYS A 94 -10.423 6.058 4.121 1.00 0.00 C ATOM 1536 CE LYS A 94 -11.051 5.629 5.451 1.00 0.00 C ATOM 1537 NZ LYS A 94 -11.847 6.714 6.048 1.00 0.00 N ATOM 0 H LYS A 94 -9.530 3.240 1.445 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.257 4.838 0.944 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.243 6.340 2.541 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.528 5.670 1.556 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.103 4.058 3.365 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.784 4.667 4.346 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.849 6.974 4.260 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.205 6.279 3.395 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.685 4.757 5.290 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -10.266 5.328 6.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.257 6.389 6.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.236 7.537 6.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.611 6.983 5.396 1.00 0.00 H new ATOM 1551 N TRP A 95 -5.855 4.847 3.105 1.00 0.00 N ATOM 1552 CA TRP A 95 -4.912 4.699 4.200 1.00 0.00 C ATOM 1553 C TRP A 95 -5.663 4.969 5.509 1.00 0.00 C ATOM 1554 O TRP A 95 -6.196 4.037 6.107 1.00 0.00 O ATOM 1555 CB TRP A 95 -3.681 5.585 3.899 1.00 0.00 C ATOM 1556 CG TRP A 95 -3.037 6.392 4.988 1.00 0.00 C ATOM 1557 CD1 TRP A 95 -2.604 5.952 6.192 1.00 0.00 C ATOM 1558 CD2 TRP A 95 -2.867 7.836 5.010 1.00 0.00 C ATOM 1559 NE1 TRP A 95 -2.203 7.026 6.964 1.00 0.00 N ATOM 1560 CE2 TRP A 95 -2.411 8.218 6.302 1.00 0.00 C ATOM 1561 CE3 TRP A 95 -3.056 8.866 4.063 1.00 0.00 C ATOM 1562 CZ2 TRP A 95 -2.233 9.561 6.663 1.00 0.00 C ATOM 1563 CZ3 TRP A 95 -2.852 10.212 4.406 1.00 0.00 C ATOM 1564 CH2 TRP A 95 -2.519 10.562 5.724 1.00 0.00 C ATOM 0 H TRP A 95 -5.732 5.712 2.578 1.00 0.00 H new ATOM 0 HA TRP A 95 -4.507 3.693 4.312 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -2.911 4.935 3.483 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -3.971 6.281 3.112 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.576 4.918 6.503 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -1.806 6.947 7.900 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.362 8.614 3.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -1.881 9.821 7.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.952 10.980 3.654 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.483 11.602 6.014 1.00 0.00 H new ATOM 1575 N ASP A 96 -5.718 6.235 5.926 1.00 0.00 N ATOM 1576 CA ASP A 96 -6.242 6.742 7.185 1.00 0.00 C ATOM 1577 C ASP A 96 -5.914 8.239 7.200 1.00 0.00 C ATOM 1578 O ASP A 96 -5.574 8.807 6.162 1.00 0.00 O ATOM 1579 CB ASP A 96 -5.606 6.015 8.392 1.00 0.00 C ATOM 1580 CG ASP A 96 -6.476 6.140 9.639 1.00 0.00 C ATOM 1581 OD1 ASP A 96 -7.506 5.432 9.686 1.00 0.00 O ATOM 1582 OD2 ASP A 96 -6.111 6.962 10.506 1.00 0.00 O ATOM 0 H ASP A 96 -5.366 6.991 5.339 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.315 6.570 7.266 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.463 4.962 8.150 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.619 6.433 8.592 1.00 0.00 H new ATOM 1587 N ARG A 97 -5.960 8.866 8.376 1.00 0.00 N ATOM 1588 CA ARG A 97 -5.323 10.132 8.642 1.00 0.00 C ATOM 1589 C ARG A 97 -5.208 10.319 10.155 1.00 0.00 C ATOM 1590 O ARG A 97 -6.213 10.292 10.863 1.00 0.00 O ATOM 1591 CB ARG A 97 -6.048 11.285 7.943 1.00 0.00 C ATOM 1592 CG ARG A 97 -7.575 11.309 8.099 1.00 0.00 C ATOM 1593 CD ARG A 97 -8.115 12.596 7.466 1.00 0.00 C ATOM 1594 NE ARG A 97 -9.580 12.673 7.552 1.00 0.00 N ATOM 1595 CZ ARG A 97 -10.452 12.546 6.534 1.00 0.00 C ATOM 1596 NH1 ARG A 97 -10.059 12.186 5.304 1.00 0.00 N ATOM 1597 NH2 ARG A 97 -11.751 12.790 6.758 1.00 0.00 N ATOM 0 H ARG A 97 -6.457 8.488 9.183 1.00 0.00 H new ATOM 0 HA ARG A 97 -4.316 10.135 8.224 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.648 12.225 8.325 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.811 11.246 6.880 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -8.017 10.437 7.618 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.848 11.264 9.153 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -7.676 13.459 7.966 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -7.809 12.643 6.421 1.00 0.00 H new ATOM 0 HE ARG A 97 -9.977 12.840 8.477 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -9.074 11.999 5.118 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -10.745 12.099 4.554 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -12.065 13.067 7.688 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -12.425 12.699 5.998 1.00 0.00 H new ATOM 1611 N ASP A 98 -3.970 10.503 10.636 1.00 0.00 N ATOM 1612 CA ASP A 98 -3.643 10.800 12.027 1.00 0.00 C ATOM 1613 C ASP A 98 -4.474 11.974 12.556 1.00 0.00 C ATOM 1614 O ASP A 98 -4.890 11.962 13.713 1.00 0.00 O ATOM 1615 CB ASP A 98 -2.141 11.100 12.122 1.00 0.00 C ATOM 1616 CG ASP A 98 -1.698 11.439 13.542 1.00 0.00 C ATOM 1617 OD1 ASP A 98 -1.661 10.500 14.367 1.00 0.00 O ATOM 1618 OD2 ASP A 98 -1.384 12.628 13.771 1.00 0.00 O ATOM 0 H ASP A 98 -3.143 10.446 10.041 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.885 9.938 12.648 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -1.579 10.236 11.767 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -1.898 11.932 11.461 1.00 0.00 H new ATOM 1623 N MET A 99 -4.725 12.973 11.699 1.00 0.00 N ATOM 1624 CA MET A 99 -5.545 14.131 12.010 1.00 0.00 C ATOM 1625 C MET A 99 -6.283 14.580 10.745 1.00 0.00 C ATOM 1626 O MET A 99 -7.451 15.004 10.884 1.00 0.00 O ATOM 1627 CB MET A 99 -4.640 15.235 12.576 1.00 0.00 C ATOM 1628 CG MET A 99 -5.421 16.466 13.049 1.00 0.00 C ATOM 1629 SD MET A 99 -6.655 16.189 14.356 1.00 0.00 S ATOM 1630 CE MET A 99 -5.575 15.742 15.742 1.00 0.00 C ATOM 1631 OXT MET A 99 -5.671 14.485 9.658 1.00 0.00 O ATOM 0 H MET A 99 -4.350 12.990 10.750 1.00 0.00 H new ATOM 0 HA MET A 99 -6.297 13.891 12.761 1.00 0.00 H new ATOM 0 HB2 MET A 99 -4.065 14.834 13.411 1.00 0.00 H new ATOM 0 HB3 MET A 99 -3.924 15.537 11.812 1.00 0.00 H new ATOM 0 HG2 MET A 99 -4.706 17.207 13.406 1.00 0.00 H new ATOM 0 HG3 MET A 99 -5.928 16.901 12.187 1.00 0.00 H new ATOM 0 HE1 MET A 99 -6.170 15.644 16.650 1.00 0.00 H new ATOM 0 HE2 MET A 99 -5.082 14.794 15.528 1.00 0.00 H new ATOM 0 HE3 MET A 99 -4.823 16.519 15.883 1.00 0.00 H new TER 1641 MET A 99