USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 728 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 25 GLN : amide:sc= 0.574 K(o=0.44,f=-0.92) USER MOD Set 1.2: A 88 GLN : amide:sc= -0.136 K(o=0.44,f=-0.92) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 1.11 (180deg=1.02) USER MOD Single : A 5 LYS NZ :NH3+ 133:sc= -0.127 (180deg=-0.69) USER MOD Single : A 7 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0563) USER MOD Single : A 11 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0468) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -2.37! C(o=-2.4!,f=-8.3!) USER MOD Single : A 17 HIS : no HD1:sc= -0.426 X(o=-0.43,f=-0.36) USER MOD Single : A 19 ASN : amide:sc= -1.56 K(o=-1.6,f=-5.2!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 67:sc= 1.26 USER MOD Single : A 31 GLN : amide:sc= -1.65! K(o=-1.7!,f=-0.71) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.0375 X(o=-0.038,f=-0.038) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.298 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0537 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -141:sc= -0.134 (180deg=-3.63!) USER MOD Single : A 45 LYS NZ :NH3+ 159:sc= -2.02! (180deg=-2.99!) USER MOD Single : A 47 TYR OH : rot 1:sc= 0.514 USER MOD Single : A 48 CYS SG : rot 162:sc= -3.32! USER MOD Single : A 51 GLN : amide:sc= -3.44! C(o=-3.4!,f=-6.8!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -135:sc= -1.77 (180deg=-7.03!) USER MOD Single : A 57 GLN : amide:sc= -1.16 X(o=-1.2,f=-1.4) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 68 ASN : amide:sc= -0.299 K(o=-0.3,f=-1) USER MOD Single : A 70 THR OG1 : rot -37:sc= 0.929 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0141 USER MOD Single : A 75 GLN : amide:sc= -1.04 K(o=-1,f=-0.0033) USER MOD Single : A 78 MET CE :methyl -172:sc= -0.263 (180deg=-0.395) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -4.08! K(o=-4.1!,f=-0.09) USER MOD Single : A 90 GLN : amide:sc= -0.207 K(o=-0.21,f=-2.8!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.520 7.456 15.205 1.00 0.00 N ATOM 2 CA MET A 1 1.561 7.477 16.334 1.00 0.00 C ATOM 3 C MET A 1 1.739 8.714 17.203 1.00 0.00 C ATOM 4 O MET A 1 0.768 9.278 17.709 1.00 0.00 O ATOM 5 CB MET A 1 1.654 6.193 17.175 1.00 0.00 C ATOM 6 CG MET A 1 3.023 5.928 17.778 1.00 0.00 C ATOM 7 SD MET A 1 3.089 4.376 18.687 1.00 0.00 S ATOM 8 CE MET A 1 4.813 4.349 19.174 1.00 0.00 C ATOM 0 H1 MET A 1 2.345 6.616 14.617 1.00 0.00 H new ATOM 0 H2 MET A 1 2.397 8.313 14.629 1.00 0.00 H new ATOM 0 H3 MET A 1 3.491 7.424 15.575 1.00 0.00 H new ATOM 0 HA MET A 1 0.561 7.521 15.903 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.922 6.248 17.980 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.377 5.344 16.550 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.769 5.912 16.984 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.287 6.748 18.446 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.015 3.445 19.748 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.443 4.362 18.284 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.032 5.224 19.786 1.00 0.00 H new ATOM 18 N ALA A 2 2.974 9.156 17.368 1.00 0.00 N ATOM 19 CA ALA A 2 3.266 10.351 18.157 1.00 0.00 C ATOM 20 C ALA A 2 2.887 11.609 17.385 1.00 0.00 C ATOM 21 O ALA A 2 2.969 12.722 17.892 1.00 0.00 O ATOM 22 CB ALA A 2 4.731 10.378 18.531 1.00 0.00 C ATOM 0 H ALA A 2 3.797 8.706 16.966 1.00 0.00 H new ATOM 0 HA ALA A 2 2.672 10.322 19.070 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.940 11.272 19.119 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.973 9.492 19.119 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.338 10.389 17.625 1.00 0.00 H new ATOM 28 N ASP A 3 2.480 11.418 16.148 1.00 0.00 N ATOM 29 CA ASP A 3 2.033 12.497 15.282 1.00 0.00 C ATOM 30 C ASP A 3 0.596 12.860 15.606 1.00 0.00 C ATOM 31 O ASP A 3 0.130 13.959 15.305 1.00 0.00 O ATOM 32 CB ASP A 3 2.136 12.055 13.821 1.00 0.00 C ATOM 33 CG ASP A 3 1.329 10.791 13.545 1.00 0.00 C ATOM 34 OD1 ASP A 3 1.682 9.719 14.104 1.00 0.00 O ATOM 35 OD2 ASP A 3 0.343 10.857 12.774 1.00 0.00 O ATOM 0 H ASP A 3 2.449 10.499 15.707 1.00 0.00 H new ATOM 0 HA ASP A 3 2.665 13.371 15.443 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.783 12.858 13.174 1.00 0.00 H new ATOM 0 HB3 ASP A 3 3.182 11.879 13.569 1.00 0.00 H new ATOM 40 N GLU A 4 -0.112 11.930 16.227 1.00 0.00 N ATOM 41 CA GLU A 4 -1.487 12.159 16.614 1.00 0.00 C ATOM 42 C GLU A 4 -1.522 12.993 17.886 1.00 0.00 C ATOM 43 O GLU A 4 -2.383 13.855 18.066 1.00 0.00 O ATOM 44 CB GLU A 4 -2.211 10.821 16.813 1.00 0.00 C ATOM 45 CG GLU A 4 -3.696 10.951 17.125 1.00 0.00 C ATOM 46 CD GLU A 4 -4.383 9.608 17.233 1.00 0.00 C ATOM 47 OE1 GLU A 4 -4.387 9.021 18.335 1.00 0.00 O ATOM 48 OE2 GLU A 4 -4.918 9.121 16.207 1.00 0.00 O ATOM 0 H GLU A 4 0.248 11.008 16.473 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.003 12.705 15.824 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.093 10.220 15.912 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.728 10.277 17.625 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.821 11.496 18.060 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.178 11.541 16.345 1.00 0.00 H new ATOM 55 N LYS A 5 -0.568 12.739 18.772 1.00 0.00 N ATOM 56 CA LYS A 5 -0.466 13.491 20.007 1.00 0.00 C ATOM 57 C LYS A 5 0.980 13.561 20.519 1.00 0.00 C ATOM 58 O LYS A 5 1.445 12.694 21.262 1.00 0.00 O ATOM 59 CB LYS A 5 -1.422 12.953 21.097 1.00 0.00 C ATOM 60 CG LYS A 5 -1.166 11.521 21.550 1.00 0.00 C ATOM 61 CD LYS A 5 -1.596 10.498 20.512 1.00 0.00 C ATOM 62 CE LYS A 5 -1.620 9.098 21.094 1.00 0.00 C ATOM 63 NZ LYS A 5 -2.602 8.985 22.202 1.00 0.00 N ATOM 0 H LYS A 5 0.144 12.018 18.655 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.780 14.509 19.776 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.357 13.607 21.967 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.444 13.020 20.724 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.104 11.395 21.762 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -1.702 11.336 22.481 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.586 10.754 20.135 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.913 10.529 19.663 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.870 8.382 20.311 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.627 8.838 21.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.177 8.128 22.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.097 8.927 23.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.221 9.821 22.204 1.00 0.00 H new ATOM 77 N PRO A 6 1.723 14.563 20.062 1.00 0.00 N ATOM 78 CA PRO A 6 3.074 14.815 20.539 1.00 0.00 C ATOM 79 C PRO A 6 3.064 15.512 21.905 1.00 0.00 C ATOM 80 O PRO A 6 2.001 15.751 22.493 1.00 0.00 O ATOM 81 CB PRO A 6 3.667 15.731 19.467 1.00 0.00 C ATOM 82 CG PRO A 6 2.494 16.419 18.850 1.00 0.00 C ATOM 83 CD PRO A 6 1.313 15.496 19.009 1.00 0.00 C ATOM 0 HA PRO A 6 3.645 13.898 20.683 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.361 16.450 19.903 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.224 15.160 18.725 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.306 17.375 19.339 1.00 0.00 H new ATOM 0 HG3 PRO A 6 2.680 16.631 17.797 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.414 16.045 19.291 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.089 14.973 18.079 1.00 0.00 H new ATOM 91 N LYS A 7 4.239 15.847 22.412 1.00 0.00 N ATOM 92 CA LYS A 7 4.341 16.503 23.707 1.00 0.00 C ATOM 93 C LYS A 7 4.098 18.000 23.588 1.00 0.00 C ATOM 94 O LYS A 7 3.532 18.622 24.484 1.00 0.00 O ATOM 95 CB LYS A 7 5.705 16.246 24.349 1.00 0.00 C ATOM 96 CG LYS A 7 5.959 14.794 24.735 1.00 0.00 C ATOM 97 CD LYS A 7 4.959 14.295 25.780 1.00 0.00 C ATOM 98 CE LYS A 7 4.981 15.142 27.053 1.00 0.00 C ATOM 99 NZ LYS A 7 6.329 15.194 27.680 1.00 0.00 N ATOM 0 H LYS A 7 5.132 15.677 21.950 1.00 0.00 H new ATOM 0 HA LYS A 7 3.568 16.077 24.347 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.484 16.566 23.657 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.795 16.867 25.240 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.898 14.167 23.846 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.972 14.695 25.126 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.955 14.308 25.355 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.186 13.259 26.031 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.654 16.155 26.817 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.267 14.735 27.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.269 15.694 28.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.676 14.226 27.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.985 15.698 27.051 1.00 0.00 H new ATOM 113 N GLU A 8 4.521 18.583 22.481 1.00 0.00 N ATOM 114 CA GLU A 8 4.338 20.008 22.263 1.00 0.00 C ATOM 115 C GLU A 8 2.908 20.304 21.836 1.00 0.00 C ATOM 116 O GLU A 8 2.372 19.666 20.925 1.00 0.00 O ATOM 117 CB GLU A 8 5.326 20.550 21.214 1.00 0.00 C ATOM 118 CG GLU A 8 6.777 20.641 21.688 1.00 0.00 C ATOM 119 CD GLU A 8 7.509 19.314 21.667 1.00 0.00 C ATOM 120 OE1 GLU A 8 7.361 18.525 22.621 1.00 0.00 O ATOM 121 OE2 GLU A 8 8.245 19.056 20.698 1.00 0.00 O ATOM 0 H GLU A 8 4.993 18.094 21.720 1.00 0.00 H new ATOM 0 HA GLU A 8 4.538 20.513 23.208 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.286 19.910 20.332 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.997 21.542 20.903 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.312 21.351 21.057 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.794 21.039 22.702 1.00 0.00 H new ATOM 128 N GLY A 9 2.281 21.266 22.499 1.00 0.00 N ATOM 129 CA GLY A 9 0.924 21.630 22.167 1.00 0.00 C ATOM 130 C GLY A 9 0.871 22.569 20.997 1.00 0.00 C ATOM 131 O GLY A 9 -0.092 22.578 20.226 1.00 0.00 O ATOM 0 H GLY A 9 2.693 21.801 23.264 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.352 20.731 21.938 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.451 22.098 23.031 1.00 0.00 H new ATOM 135 N VAL A 10 1.910 23.371 20.868 1.00 0.00 N ATOM 136 CA VAL A 10 2.029 24.318 19.777 1.00 0.00 C ATOM 137 C VAL A 10 2.102 23.580 18.433 1.00 0.00 C ATOM 138 O VAL A 10 2.998 22.769 18.191 1.00 0.00 O ATOM 139 CB VAL A 10 3.267 25.242 19.971 1.00 0.00 C ATOM 140 CG1 VAL A 10 4.545 24.429 20.146 1.00 0.00 C ATOM 141 CG2 VAL A 10 3.402 26.220 18.817 1.00 0.00 C ATOM 0 H VAL A 10 2.696 23.384 21.518 1.00 0.00 H new ATOM 0 HA VAL A 10 1.141 24.949 19.775 1.00 0.00 H new ATOM 0 HB VAL A 10 3.110 25.815 20.885 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.390 25.104 20.279 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.451 23.788 21.022 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.708 23.813 19.262 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.274 26.854 18.977 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.521 25.668 17.884 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.508 26.841 18.760 1.00 0.00 H new ATOM 151 N LYS A 11 1.145 23.842 17.566 1.00 0.00 N ATOM 152 CA LYS A 11 1.087 23.165 16.287 1.00 0.00 C ATOM 153 C LYS A 11 1.609 24.052 15.176 1.00 0.00 C ATOM 154 O LYS A 11 0.867 24.823 14.563 1.00 0.00 O ATOM 155 CB LYS A 11 -0.339 22.698 15.990 1.00 0.00 C ATOM 156 CG LYS A 11 -0.912 21.791 17.069 1.00 0.00 C ATOM 157 CD LYS A 11 -0.182 20.453 17.131 1.00 0.00 C ATOM 158 CE LYS A 11 -0.478 19.711 18.432 1.00 0.00 C ATOM 159 NZ LYS A 11 -1.932 19.486 18.644 1.00 0.00 N ATOM 0 H LYS A 11 0.398 24.518 17.724 1.00 0.00 H new ATOM 0 HA LYS A 11 1.730 22.287 16.339 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.984 23.570 15.878 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.350 22.169 15.037 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.842 22.288 18.036 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.971 21.619 16.875 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.480 19.836 16.284 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.892 20.619 17.042 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.037 18.750 18.423 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.076 20.280 19.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.073 18.906 19.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.411 20.401 18.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.331 18.993 17.820 1.00 0.00 H new ATOM 173 N THR A 12 2.894 23.963 14.936 1.00 0.00 N ATOM 174 CA THR A 12 3.543 24.730 13.892 1.00 0.00 C ATOM 175 C THR A 12 3.823 23.821 12.690 1.00 0.00 C ATOM 176 O THR A 12 4.887 23.870 12.060 1.00 0.00 O ATOM 177 CB THR A 12 4.854 25.335 14.418 1.00 0.00 C ATOM 178 OG1 THR A 12 4.621 25.903 15.717 1.00 0.00 O ATOM 179 CG2 THR A 12 5.372 26.427 13.487 1.00 0.00 C ATOM 0 H THR A 12 3.525 23.355 15.459 1.00 0.00 H new ATOM 0 HA THR A 12 2.887 25.543 13.581 1.00 0.00 H new ATOM 0 HB THR A 12 5.600 24.543 14.471 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.454 26.289 16.059 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.300 26.835 13.886 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.556 26.005 12.499 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.630 27.222 13.410 1.00 0.00 H new ATOM 187 N GLU A 13 2.851 22.994 12.376 1.00 0.00 N ATOM 188 CA GLU A 13 2.936 22.058 11.276 1.00 0.00 C ATOM 189 C GLU A 13 1.550 21.520 10.960 1.00 0.00 C ATOM 190 O GLU A 13 0.556 21.965 11.539 1.00 0.00 O ATOM 191 CB GLU A 13 3.886 20.904 11.605 1.00 0.00 C ATOM 192 CG GLU A 13 3.480 20.089 12.818 1.00 0.00 C ATOM 193 CD GLU A 13 4.265 18.805 12.924 1.00 0.00 C ATOM 194 OE1 GLU A 13 5.418 18.842 13.394 1.00 0.00 O ATOM 195 OE2 GLU A 13 3.740 17.751 12.514 1.00 0.00 O ATOM 0 H GLU A 13 1.967 22.952 12.884 1.00 0.00 H new ATOM 0 HA GLU A 13 3.333 22.581 10.406 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.948 20.242 10.741 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.885 21.307 11.770 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.631 20.682 13.720 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.416 19.860 12.761 1.00 0.00 H new ATOM 202 N ASN A 14 1.477 20.556 10.063 1.00 0.00 N ATOM 203 CA ASN A 14 0.203 19.967 9.680 1.00 0.00 C ATOM 204 C ASN A 14 0.321 18.468 9.538 1.00 0.00 C ATOM 205 O ASN A 14 1.248 17.957 8.897 1.00 0.00 O ATOM 206 CB ASN A 14 -0.328 20.575 8.375 1.00 0.00 C ATOM 207 CG ASN A 14 -0.845 21.989 8.553 1.00 0.00 C ATOM 208 OD1 ASN A 14 -0.111 22.960 8.374 1.00 0.00 O ATOM 209 ND2 ASN A 14 -2.108 22.113 8.904 1.00 0.00 N ATOM 0 H ASN A 14 2.286 20.161 9.583 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.507 20.191 10.476 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.467 20.575 7.630 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.129 19.946 7.986 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.512 23.040 9.037 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.683 21.282 9.042 1.00 0.00 H new ATOM 216 N ASN A 15 -0.603 17.750 10.142 1.00 0.00 N ATOM 217 CA ASN A 15 -0.620 16.314 10.045 1.00 0.00 C ATOM 218 C ASN A 15 -1.953 15.841 9.523 1.00 0.00 C ATOM 219 O ASN A 15 -3.012 16.278 9.978 1.00 0.00 O ATOM 220 CB ASN A 15 -0.327 15.647 11.397 1.00 0.00 C ATOM 221 CG ASN A 15 -0.285 14.122 11.288 1.00 0.00 C ATOM 222 OD1 ASN A 15 0.054 13.574 10.245 1.00 0.00 O ATOM 223 ND2 ASN A 15 -0.630 13.438 12.347 1.00 0.00 N ATOM 0 H ASN A 15 -1.354 18.145 10.708 1.00 0.00 H new ATOM 0 HA ASN A 15 0.168 16.025 9.349 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.627 16.009 11.780 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.091 15.938 12.118 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.622 12.418 12.320 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -0.907 13.924 13.200 1.00 0.00 H new ATOM 230 N ASP A 16 -1.904 14.956 8.566 1.00 0.00 N ATOM 231 CA ASP A 16 -3.099 14.379 8.015 1.00 0.00 C ATOM 232 C ASP A 16 -3.243 12.985 8.517 1.00 0.00 C ATOM 233 O ASP A 16 -3.895 12.724 9.527 1.00 0.00 O ATOM 234 CB ASP A 16 -3.085 14.370 6.473 1.00 0.00 C ATOM 235 CG ASP A 16 -3.324 15.728 5.853 1.00 0.00 C ATOM 236 OD1 ASP A 16 -2.376 16.542 5.804 1.00 0.00 O ATOM 237 OD2 ASP A 16 -4.453 15.975 5.381 1.00 0.00 O ATOM 0 H ASP A 16 -1.038 14.615 8.147 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.943 14.992 8.332 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.123 13.988 6.130 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.848 13.678 6.116 1.00 0.00 H new ATOM 242 N HIS A 17 -2.599 12.099 7.813 1.00 0.00 N ATOM 243 CA HIS A 17 -2.597 10.698 8.077 1.00 0.00 C ATOM 244 C HIS A 17 -3.955 10.105 7.690 1.00 0.00 C ATOM 245 O HIS A 17 -4.971 10.296 8.356 1.00 0.00 O ATOM 246 CB HIS A 17 -2.114 10.347 9.521 1.00 0.00 C ATOM 247 CG HIS A 17 -3.145 9.760 10.444 1.00 0.00 C ATOM 248 ND1 HIS A 17 -3.709 10.455 11.487 1.00 0.00 N ATOM 249 CD2 HIS A 17 -3.692 8.528 10.476 1.00 0.00 C ATOM 250 CE1 HIS A 17 -4.559 9.673 12.124 1.00 0.00 C ATOM 251 NE2 HIS A 17 -4.569 8.494 11.531 1.00 0.00 N ATOM 0 H HIS A 17 -2.035 12.351 7.001 1.00 0.00 H new ATOM 0 HA HIS A 17 -1.848 10.218 7.448 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.285 9.644 9.443 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.721 11.254 9.980 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.479 7.717 9.796 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.148 9.951 12.986 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.134 7.692 11.810 1.00 0.00 H new ATOM 260 N ILE A 18 -3.966 9.429 6.582 1.00 0.00 N ATOM 261 CA ILE A 18 -5.184 8.860 6.051 1.00 0.00 C ATOM 262 C ILE A 18 -5.113 7.355 6.018 1.00 0.00 C ATOM 263 O ILE A 18 -4.028 6.765 6.023 1.00 0.00 O ATOM 264 CB ILE A 18 -5.505 9.390 4.636 1.00 0.00 C ATOM 265 CG1 ILE A 18 -4.315 9.179 3.691 1.00 0.00 C ATOM 266 CG2 ILE A 18 -5.899 10.858 4.694 1.00 0.00 C ATOM 267 CD1 ILE A 18 -4.595 9.594 2.263 1.00 0.00 C ATOM 0 H ILE A 18 -3.137 9.252 6.015 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.986 9.168 6.722 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.350 8.825 4.242 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.461 9.744 4.064 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.032 8.126 3.706 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.122 11.215 3.688 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.781 10.973 5.324 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.077 11.439 5.111 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.710 9.417 1.652 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.429 9.011 1.871 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.849 10.654 2.235 1.00 0.00 H new ATOM 279 N ASN A 19 -6.263 6.726 5.990 1.00 0.00 N ATOM 280 CA ASN A 19 -6.333 5.285 5.953 1.00 0.00 C ATOM 281 C ASN A 19 -6.510 4.829 4.530 1.00 0.00 C ATOM 282 O ASN A 19 -7.514 5.112 3.904 1.00 0.00 O ATOM 283 CB ASN A 19 -7.494 4.751 6.803 1.00 0.00 C ATOM 284 CG ASN A 19 -7.988 5.736 7.834 1.00 0.00 C ATOM 285 OD1 ASN A 19 -7.479 5.800 8.946 1.00 0.00 O ATOM 286 ND2 ASN A 19 -8.990 6.497 7.470 1.00 0.00 N ATOM 0 H ASN A 19 -7.170 7.193 5.992 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.403 4.894 6.366 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.320 4.480 6.146 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.175 3.839 7.307 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.377 7.177 8.124 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.383 6.409 6.533 1.00 0.00 H new ATOM 293 N LEU A 20 -5.538 4.148 4.011 1.00 0.00 N ATOM 294 CA LEU A 20 -5.611 3.644 2.666 1.00 0.00 C ATOM 295 C LEU A 20 -5.719 2.142 2.708 1.00 0.00 C ATOM 296 O LEU A 20 -4.898 1.463 3.322 1.00 0.00 O ATOM 297 CB LEU A 20 -4.386 4.080 1.880 1.00 0.00 C ATOM 298 CG LEU A 20 -4.208 5.590 1.750 1.00 0.00 C ATOM 299 CD1 LEU A 20 -2.912 5.913 1.051 1.00 0.00 C ATOM 300 CD2 LEU A 20 -5.385 6.205 1.007 1.00 0.00 C ATOM 0 H LEU A 20 -4.672 3.923 4.501 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.492 4.047 2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.499 3.664 2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.441 3.648 0.881 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.173 6.019 2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.803 6.994 0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.078 5.507 1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.916 5.471 0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.240 7.282 0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.453 5.770 0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.306 6.004 1.554 1.00 0.00 H new ATOM 312 N LYS A 21 -6.735 1.612 2.085 1.00 0.00 N ATOM 313 CA LYS A 21 -6.959 0.192 2.107 1.00 0.00 C ATOM 314 C LYS A 21 -6.524 -0.448 0.814 1.00 0.00 C ATOM 315 O LYS A 21 -6.792 0.055 -0.262 1.00 0.00 O ATOM 316 CB LYS A 21 -8.422 -0.112 2.406 1.00 0.00 C ATOM 317 CG LYS A 21 -8.778 -1.579 2.303 1.00 0.00 C ATOM 318 CD LYS A 21 -10.018 -1.902 3.102 1.00 0.00 C ATOM 319 CE LYS A 21 -11.211 -1.075 2.645 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.447 -1.410 3.397 1.00 0.00 N ATOM 0 H LYS A 21 -7.424 2.144 1.553 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.352 -0.236 2.905 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.658 0.239 3.411 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.049 0.453 1.716 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.938 -1.844 1.258 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.945 -2.183 2.661 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.250 -2.962 3.002 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.829 -1.716 4.159 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.987 -0.016 2.772 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.379 -1.240 1.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.233 -0.823 3.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.678 -2.414 3.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.297 -1.228 4.410 1.00 0.00 H new ATOM 334 N VAL A 22 -5.862 -1.567 0.920 1.00 0.00 N ATOM 335 CA VAL A 22 -5.347 -2.253 -0.238 1.00 0.00 C ATOM 336 C VAL A 22 -6.077 -3.561 -0.438 1.00 0.00 C ATOM 337 O VAL A 22 -6.134 -4.395 0.463 1.00 0.00 O ATOM 338 CB VAL A 22 -3.837 -2.530 -0.109 1.00 0.00 C ATOM 339 CG1 VAL A 22 -3.312 -3.187 -1.364 1.00 0.00 C ATOM 340 CG2 VAL A 22 -3.076 -1.246 0.178 1.00 0.00 C ATOM 0 H VAL A 22 -5.664 -2.030 1.807 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.506 -1.604 -1.099 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.685 -3.211 0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.244 -3.376 -1.256 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.833 -4.131 -1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.480 -2.529 -2.217 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.012 -1.465 0.265 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.235 -0.539 -0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.434 -0.811 1.111 1.00 0.00 H new ATOM 350 N ALA A 23 -6.618 -3.749 -1.620 1.00 0.00 N ATOM 351 CA ALA A 23 -7.373 -4.936 -1.930 1.00 0.00 C ATOM 352 C ALA A 23 -6.846 -5.588 -3.183 1.00 0.00 C ATOM 353 O ALA A 23 -6.725 -4.957 -4.233 1.00 0.00 O ATOM 354 CB ALA A 23 -8.851 -4.614 -2.076 1.00 0.00 C ATOM 0 H ALA A 23 -6.546 -3.084 -2.390 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.258 -5.637 -1.103 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.401 -5.526 -2.310 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.226 -4.194 -1.143 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.988 -3.891 -2.880 1.00 0.00 H new ATOM 360 N GLY A 24 -6.520 -6.844 -3.081 1.00 0.00 N ATOM 361 CA GLY A 24 -6.018 -7.556 -4.225 1.00 0.00 C ATOM 362 C GLY A 24 -7.116 -8.307 -4.915 1.00 0.00 C ATOM 363 O GLY A 24 -8.095 -8.688 -4.278 1.00 0.00 O ATOM 0 H GLY A 24 -6.591 -7.395 -2.225 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.559 -6.854 -4.922 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.238 -8.251 -3.912 1.00 0.00 H new ATOM 367 N GLN A 25 -6.978 -8.524 -6.222 1.00 0.00 N ATOM 368 CA GLN A 25 -7.980 -9.276 -6.974 1.00 0.00 C ATOM 369 C GLN A 25 -8.179 -10.694 -6.423 1.00 0.00 C ATOM 370 O GLN A 25 -9.200 -11.331 -6.674 1.00 0.00 O ATOM 371 CB GLN A 25 -7.694 -9.299 -8.495 1.00 0.00 C ATOM 372 CG GLN A 25 -6.218 -9.364 -8.918 1.00 0.00 C ATOM 373 CD GLN A 25 -5.423 -10.468 -8.250 1.00 0.00 C ATOM 374 OE1 GLN A 25 -5.438 -11.611 -8.687 1.00 0.00 O ATOM 375 NE2 GLN A 25 -4.668 -10.115 -7.227 1.00 0.00 N ATOM 0 H GLN A 25 -6.189 -8.193 -6.778 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.918 -8.738 -6.836 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.210 -10.158 -8.925 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.136 -8.407 -8.938 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.168 -9.500 -9.998 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.746 -8.407 -8.695 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.682 -9.152 -6.891 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.070 -10.805 -6.772 1.00 0.00 H new ATOM 384 N ASP A 26 -7.204 -11.182 -5.661 1.00 0.00 N ATOM 385 CA ASP A 26 -7.310 -12.493 -5.018 1.00 0.00 C ATOM 386 C ASP A 26 -8.367 -12.444 -3.919 1.00 0.00 C ATOM 387 O ASP A 26 -8.946 -13.453 -3.530 1.00 0.00 O ATOM 388 CB ASP A 26 -5.954 -12.880 -4.412 1.00 0.00 C ATOM 389 CG ASP A 26 -6.044 -14.064 -3.468 1.00 0.00 C ATOM 390 OD1 ASP A 26 -5.972 -15.217 -3.940 1.00 0.00 O ATOM 391 OD2 ASP A 26 -6.193 -13.840 -2.247 1.00 0.00 O ATOM 0 H ASP A 26 -6.330 -10.691 -5.472 1.00 0.00 H new ATOM 0 HA ASP A 26 -7.599 -13.236 -5.761 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -5.257 -13.115 -5.216 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.544 -12.024 -3.875 1.00 0.00 H new ATOM 396 N GLY A 27 -8.617 -11.251 -3.438 1.00 0.00 N ATOM 397 CA GLY A 27 -9.593 -11.047 -2.401 1.00 0.00 C ATOM 398 C GLY A 27 -8.921 -10.733 -1.094 1.00 0.00 C ATOM 399 O GLY A 27 -9.569 -10.364 -0.120 1.00 0.00 O ATOM 0 H GLY A 27 -8.152 -10.400 -3.753 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.260 -10.231 -2.678 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.209 -11.940 -2.294 1.00 0.00 H new ATOM 403 N SER A 28 -7.605 -10.885 -1.067 1.00 0.00 N ATOM 404 CA SER A 28 -6.820 -10.518 0.091 1.00 0.00 C ATOM 405 C SER A 28 -6.830 -9.004 0.231 1.00 0.00 C ATOM 406 O SER A 28 -6.495 -8.278 -0.717 1.00 0.00 O ATOM 407 CB SER A 28 -5.389 -11.029 -0.059 1.00 0.00 C ATOM 408 OG SER A 28 -5.354 -12.451 -0.110 1.00 0.00 O ATOM 0 H SER A 28 -7.060 -11.263 -1.842 1.00 0.00 H new ATOM 0 HA SER A 28 -7.250 -10.969 0.985 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.947 -10.619 -0.967 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.785 -10.677 0.777 1.00 0.00 H new ATOM 0 HG SER A 28 -5.792 -12.760 -0.931 1.00 0.00 H new ATOM 414 N VAL A 29 -7.224 -8.515 1.383 1.00 0.00 N ATOM 415 CA VAL A 29 -7.341 -7.093 1.579 1.00 0.00 C ATOM 416 C VAL A 29 -6.994 -6.692 3.017 1.00 0.00 C ATOM 417 O VAL A 29 -7.267 -7.427 3.970 1.00 0.00 O ATOM 418 CB VAL A 29 -8.768 -6.605 1.188 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.838 -7.348 1.953 1.00 0.00 C ATOM 420 CG2 VAL A 29 -8.918 -5.111 1.373 1.00 0.00 C ATOM 0 H VAL A 29 -7.468 -9.081 2.196 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.619 -6.604 0.925 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.899 -6.825 0.128 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.820 -6.981 1.654 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.767 -8.414 1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.700 -7.186 3.022 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.926 -4.809 1.090 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.742 -4.854 2.418 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.194 -4.592 0.745 1.00 0.00 H new ATOM 430 N VAL A 30 -6.385 -5.518 3.160 1.00 0.00 N ATOM 431 CA VAL A 30 -5.948 -4.988 4.455 1.00 0.00 C ATOM 432 C VAL A 30 -6.078 -3.465 4.435 1.00 0.00 C ATOM 433 O VAL A 30 -5.984 -2.846 3.374 1.00 0.00 O ATOM 434 CB VAL A 30 -4.463 -5.358 4.778 1.00 0.00 C ATOM 435 CG1 VAL A 30 -4.084 -4.903 6.181 1.00 0.00 C ATOM 436 CG2 VAL A 30 -4.214 -6.852 4.626 1.00 0.00 C ATOM 0 H VAL A 30 -6.178 -4.900 2.375 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.580 -5.432 5.224 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.834 -4.835 4.058 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.047 -5.171 6.383 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.200 -3.822 6.257 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.733 -5.390 6.909 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.172 -7.073 4.858 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.862 -7.400 5.310 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.429 -7.154 3.601 1.00 0.00 H new ATOM 446 N GLN A 31 -6.298 -2.857 5.586 1.00 0.00 N ATOM 447 CA GLN A 31 -6.432 -1.421 5.659 1.00 0.00 C ATOM 448 C GLN A 31 -5.231 -0.824 6.388 1.00 0.00 C ATOM 449 O GLN A 31 -4.835 -1.292 7.457 1.00 0.00 O ATOM 450 CB GLN A 31 -7.735 -1.043 6.345 1.00 0.00 C ATOM 451 CG GLN A 31 -8.092 0.418 6.234 1.00 0.00 C ATOM 452 CD GLN A 31 -8.003 1.107 7.558 1.00 0.00 C ATOM 453 OE1 GLN A 31 -8.972 1.153 8.309 1.00 0.00 O ATOM 454 NE2 GLN A 31 -6.855 1.640 7.862 1.00 0.00 N ATOM 0 H GLN A 31 -6.387 -3.338 6.481 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.458 -1.013 4.649 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.543 -1.636 5.917 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.668 -1.310 7.400 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.423 0.904 5.524 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.103 0.517 5.838 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.075 1.578 7.208 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.736 2.119 8.755 1.00 0.00 H new ATOM 463 N PHE A 32 -4.656 0.209 5.809 1.00 0.00 N ATOM 464 CA PHE A 32 -3.437 0.828 6.334 1.00 0.00 C ATOM 465 C PHE A 32 -3.664 2.293 6.630 1.00 0.00 C ATOM 466 O PHE A 32 -4.678 2.857 6.251 1.00 0.00 O ATOM 467 CB PHE A 32 -2.298 0.693 5.318 1.00 0.00 C ATOM 468 CG PHE A 32 -2.065 -0.710 4.857 1.00 0.00 C ATOM 469 CD1 PHE A 32 -2.891 -1.276 3.905 1.00 0.00 C ATOM 470 CD2 PHE A 32 -1.033 -1.465 5.377 1.00 0.00 C ATOM 471 CE1 PHE A 32 -2.696 -2.562 3.482 1.00 0.00 C ATOM 472 CE2 PHE A 32 -0.831 -2.758 4.952 1.00 0.00 C ATOM 473 CZ PHE A 32 -1.667 -3.307 4.005 1.00 0.00 C ATOM 0 H PHE A 32 -5.013 0.650 4.961 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.169 0.315 7.258 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.519 1.318 4.453 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.380 1.077 5.762 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.701 -0.695 3.489 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.379 -1.038 6.123 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.350 -2.991 2.738 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.019 -3.341 5.360 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.514 -4.323 3.674 1.00 0.00 H new ATOM 483 N LYS A 33 -2.729 2.903 7.326 1.00 0.00 N ATOM 484 CA LYS A 33 -2.790 4.322 7.643 1.00 0.00 C ATOM 485 C LYS A 33 -1.423 4.956 7.458 1.00 0.00 C ATOM 486 O LYS A 33 -0.453 4.565 8.109 1.00 0.00 O ATOM 487 CB LYS A 33 -3.262 4.535 9.082 1.00 0.00 C ATOM 488 CG LYS A 33 -4.754 4.330 9.292 1.00 0.00 C ATOM 489 CD LYS A 33 -5.110 4.230 10.770 1.00 0.00 C ATOM 490 CE LYS A 33 -4.406 3.056 11.440 1.00 0.00 C ATOM 491 NZ LYS A 33 -4.815 2.897 12.857 1.00 0.00 N ATOM 0 H LYS A 33 -1.901 2.432 7.691 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.503 4.793 6.966 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.719 3.851 9.734 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.000 5.547 9.391 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.301 5.158 8.842 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.072 3.422 8.780 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.834 5.156 11.274 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.189 4.117 10.878 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.629 2.140 10.893 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.327 3.203 11.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.313 2.088 13.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.579 3.761 13.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.840 2.731 12.906 1.00 0.00 H new ATOM 505 N ILE A 34 -1.336 5.928 6.571 1.00 0.00 N ATOM 506 CA ILE A 34 -0.088 6.635 6.321 1.00 0.00 C ATOM 507 C ILE A 34 -0.369 8.115 6.171 1.00 0.00 C ATOM 508 O ILE A 34 -1.511 8.520 5.969 1.00 0.00 O ATOM 509 CB ILE A 34 0.648 6.135 5.047 1.00 0.00 C ATOM 510 CG1 ILE A 34 -0.207 6.363 3.799 1.00 0.00 C ATOM 511 CG2 ILE A 34 1.033 4.665 5.178 1.00 0.00 C ATOM 512 CD1 ILE A 34 0.540 6.126 2.508 1.00 0.00 C ATOM 0 H ILE A 34 -2.121 6.251 6.005 1.00 0.00 H new ATOM 0 HA ILE A 34 0.562 6.441 7.174 1.00 0.00 H new ATOM 0 HB ILE A 34 1.565 6.715 4.941 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.073 5.702 3.835 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.585 7.385 3.809 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.546 4.341 4.273 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.694 4.537 6.035 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.134 4.065 5.320 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.126 6.306 1.664 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.391 6.805 2.450 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.895 5.096 2.477 1.00 0.00 H new ATOM 524 N LYS A 35 0.649 8.927 6.271 1.00 0.00 N ATOM 525 CA LYS A 35 0.478 10.344 6.154 1.00 0.00 C ATOM 526 C LYS A 35 0.285 10.773 4.704 1.00 0.00 C ATOM 527 O LYS A 35 0.566 10.025 3.777 1.00 0.00 O ATOM 528 CB LYS A 35 1.635 11.065 6.769 1.00 0.00 C ATOM 529 CG LYS A 35 1.239 12.348 7.436 1.00 0.00 C ATOM 530 CD LYS A 35 2.445 13.162 7.713 1.00 0.00 C ATOM 531 CE LYS A 35 2.112 14.490 8.374 1.00 0.00 C ATOM 532 NZ LYS A 35 3.318 15.327 8.586 1.00 0.00 N ATOM 0 H LYS A 35 1.610 8.626 6.434 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.429 10.611 6.696 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.114 10.414 7.501 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.376 11.277 5.998 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.553 12.904 6.797 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.710 12.137 8.365 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.120 12.598 8.357 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.976 13.348 6.780 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.399 15.034 7.755 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.627 14.306 9.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.044 16.222 9.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.989 14.820 9.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.768 15.526 7.670 1.00 0.00 H new ATOM 546 N ARG A 36 -0.181 12.001 4.518 1.00 0.00 N ATOM 547 CA ARG A 36 -0.477 12.534 3.194 1.00 0.00 C ATOM 548 C ARG A 36 0.803 12.816 2.407 1.00 0.00 C ATOM 549 O ARG A 36 0.787 12.908 1.181 1.00 0.00 O ATOM 550 CB ARG A 36 -1.298 13.813 3.332 1.00 0.00 C ATOM 551 CG ARG A 36 -1.822 14.373 2.015 1.00 0.00 C ATOM 552 CD ARG A 36 -3.204 13.842 1.699 1.00 0.00 C ATOM 553 NE ARG A 36 -4.182 14.288 2.689 1.00 0.00 N ATOM 554 CZ ARG A 36 -5.450 13.887 2.739 1.00 0.00 C ATOM 555 NH1 ARG A 36 -5.934 13.050 1.822 1.00 0.00 N ATOM 556 NH2 ARG A 36 -6.236 14.333 3.703 1.00 0.00 N ATOM 0 H ARG A 36 -0.364 12.655 5.279 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.048 11.787 2.643 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.144 13.617 3.991 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.685 14.573 3.817 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.852 15.461 2.067 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.137 14.111 1.209 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.507 14.178 0.708 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.180 12.753 1.673 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.870 14.956 3.394 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.331 12.710 1.073 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.907 12.749 1.870 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.870 14.980 4.402 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.209 14.031 3.749 1.00 0.00 H new ATOM 570 N HIS A 37 1.921 12.932 3.105 1.00 0.00 N ATOM 571 CA HIS A 37 3.189 13.222 2.461 1.00 0.00 C ATOM 572 C HIS A 37 4.031 11.952 2.436 1.00 0.00 C ATOM 573 O HIS A 37 5.098 11.892 1.829 1.00 0.00 O ATOM 574 CB HIS A 37 3.915 14.347 3.226 1.00 0.00 C ATOM 575 CG HIS A 37 5.189 14.813 2.589 1.00 0.00 C ATOM 576 ND1 HIS A 37 5.229 15.736 1.574 1.00 0.00 N ATOM 577 CD2 HIS A 37 6.475 14.476 2.832 1.00 0.00 C ATOM 578 CE1 HIS A 37 6.477 15.946 1.220 1.00 0.00 C ATOM 579 NE2 HIS A 37 7.256 15.193 1.970 1.00 0.00 N ATOM 0 H HIS A 37 1.975 12.829 4.118 1.00 0.00 H new ATOM 0 HA HIS A 37 3.023 13.558 1.438 1.00 0.00 H new ATOM 0 HB2 HIS A 37 3.240 15.197 3.322 1.00 0.00 H new ATOM 0 HB3 HIS A 37 4.135 13.999 4.235 1.00 0.00 H new ATOM 0 HD2 HIS A 37 6.822 13.770 3.572 1.00 0.00 H new ATOM 0 HE1 HIS A 37 6.808 16.622 0.445 1.00 0.00 H new ATOM 0 HE2 HIS A 37 8.274 15.152 1.916 1.00 0.00 H new ATOM 588 N THR A 38 3.527 10.933 3.100 1.00 0.00 N ATOM 589 CA THR A 38 4.185 9.660 3.182 1.00 0.00 C ATOM 590 C THR A 38 3.980 8.866 1.894 1.00 0.00 C ATOM 591 O THR A 38 2.864 8.757 1.408 1.00 0.00 O ATOM 592 CB THR A 38 3.629 8.854 4.370 1.00 0.00 C ATOM 593 OG1 THR A 38 3.954 9.509 5.595 1.00 0.00 O ATOM 594 CG2 THR A 38 4.187 7.448 4.375 1.00 0.00 C ATOM 0 H THR A 38 2.639 10.973 3.601 1.00 0.00 H new ATOM 0 HA THR A 38 5.251 9.835 3.326 1.00 0.00 H new ATOM 0 HB THR A 38 2.545 8.794 4.268 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.596 8.993 6.347 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.780 6.898 5.223 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.911 6.944 3.449 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.273 7.488 4.456 1.00 0.00 H new ATOM 602 N PRO A 39 5.059 8.305 1.327 1.00 0.00 N ATOM 603 CA PRO A 39 4.977 7.510 0.101 1.00 0.00 C ATOM 604 C PRO A 39 4.185 6.218 0.316 1.00 0.00 C ATOM 605 O PRO A 39 4.198 5.634 1.409 1.00 0.00 O ATOM 606 CB PRO A 39 6.443 7.200 -0.229 1.00 0.00 C ATOM 607 CG PRO A 39 7.163 7.336 1.071 1.00 0.00 C ATOM 608 CD PRO A 39 6.438 8.401 1.838 1.00 0.00 C ATOM 0 HA PRO A 39 4.459 8.038 -0.700 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.552 6.196 -0.639 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.836 7.893 -0.973 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.162 6.393 1.618 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.206 7.611 0.912 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.482 8.224 2.913 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.866 9.388 1.659 1.00 0.00 H new ATOM 616 N LEU A 40 3.503 5.760 -0.730 1.00 0.00 N ATOM 617 CA LEU A 40 2.672 4.562 -0.654 1.00 0.00 C ATOM 618 C LEU A 40 3.503 3.316 -0.394 1.00 0.00 C ATOM 619 O LEU A 40 2.972 2.278 0.003 1.00 0.00 O ATOM 620 CB LEU A 40 1.849 4.380 -1.929 1.00 0.00 C ATOM 621 CG LEU A 40 0.912 5.539 -2.297 1.00 0.00 C ATOM 622 CD1 LEU A 40 -0.029 5.129 -3.409 1.00 0.00 C ATOM 623 CD2 LEU A 40 0.126 6.008 -1.087 1.00 0.00 C ATOM 0 H LEU A 40 3.510 6.205 -1.648 1.00 0.00 H new ATOM 0 HA LEU A 40 1.993 4.701 0.187 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.535 4.216 -2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.251 3.475 -1.826 1.00 0.00 H new ATOM 0 HG LEU A 40 1.525 6.369 -2.647 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.685 5.963 -3.656 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.549 4.849 -4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.629 4.279 -3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.530 6.829 -1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.473 5.184 -0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.816 6.348 -0.315 1.00 0.00 H new ATOM 635 N SER A 41 4.807 3.420 -0.611 1.00 0.00 N ATOM 636 CA SER A 41 5.730 2.309 -0.422 1.00 0.00 C ATOM 637 C SER A 41 5.560 1.648 0.941 1.00 0.00 C ATOM 638 O SER A 41 5.655 0.427 1.060 1.00 0.00 O ATOM 639 CB SER A 41 7.161 2.800 -0.590 1.00 0.00 C ATOM 640 OG SER A 41 7.382 3.981 0.162 1.00 0.00 O ATOM 0 H SER A 41 5.256 4.281 -0.924 1.00 0.00 H new ATOM 0 HA SER A 41 5.505 1.556 -1.178 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.856 2.024 -0.269 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.362 2.992 -1.644 1.00 0.00 H new ATOM 0 HG SER A 41 8.308 4.278 0.040 1.00 0.00 H new ATOM 646 N LYS A 42 5.293 2.452 1.969 1.00 0.00 N ATOM 647 CA LYS A 42 5.117 1.935 3.325 1.00 0.00 C ATOM 648 C LYS A 42 4.032 0.864 3.363 1.00 0.00 C ATOM 649 O LYS A 42 4.263 -0.252 3.820 1.00 0.00 O ATOM 650 CB LYS A 42 4.741 3.076 4.277 1.00 0.00 C ATOM 651 CG LYS A 42 5.696 4.271 4.266 1.00 0.00 C ATOM 652 CD LYS A 42 6.911 4.080 5.181 1.00 0.00 C ATOM 653 CE LYS A 42 7.936 3.113 4.602 1.00 0.00 C ATOM 654 NZ LYS A 42 9.198 3.122 5.382 1.00 0.00 N ATOM 0 H LYS A 42 5.194 3.464 1.889 1.00 0.00 H new ATOM 0 HA LYS A 42 6.060 1.489 3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.741 3.427 4.021 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.690 2.680 5.291 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.040 4.443 3.246 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.153 5.165 4.575 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.386 5.046 5.354 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.576 3.711 6.150 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.521 2.105 4.592 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.146 3.381 3.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.872 2.452 4.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.607 4.078 5.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.001 2.842 6.364 1.00 0.00 H new ATOM 668 N LEU A 43 2.851 1.194 2.863 1.00 0.00 N ATOM 669 CA LEU A 43 1.758 0.236 2.844 1.00 0.00 C ATOM 670 C LEU A 43 1.951 -0.798 1.755 1.00 0.00 C ATOM 671 O LEU A 43 1.555 -1.951 1.906 1.00 0.00 O ATOM 672 CB LEU A 43 0.379 0.927 2.727 1.00 0.00 C ATOM 673 CG LEU A 43 0.109 1.810 1.489 1.00 0.00 C ATOM 674 CD1 LEU A 43 -0.131 0.976 0.234 1.00 0.00 C ATOM 675 CD2 LEU A 43 -1.085 2.687 1.750 1.00 0.00 C ATOM 0 H LEU A 43 2.627 2.108 2.469 1.00 0.00 H new ATOM 0 HA LEU A 43 1.773 -0.282 3.803 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.386 0.151 2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.240 1.545 3.614 1.00 0.00 H new ATOM 0 HG LEU A 43 0.995 2.421 1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.317 1.637 -0.612 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.748 0.364 0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.996 0.330 0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.276 3.311 0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.957 2.064 1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.888 3.322 2.613 1.00 0.00 H new ATOM 687 N MET A 44 2.566 -0.383 0.653 1.00 0.00 N ATOM 688 CA MET A 44 2.781 -1.257 -0.485 1.00 0.00 C ATOM 689 C MET A 44 3.608 -2.468 -0.077 1.00 0.00 C ATOM 690 O MET A 44 3.240 -3.607 -0.348 1.00 0.00 O ATOM 691 CB MET A 44 3.462 -0.490 -1.621 1.00 0.00 C ATOM 692 CG MET A 44 3.358 -1.169 -2.972 1.00 0.00 C ATOM 693 SD MET A 44 4.153 -0.236 -4.297 1.00 0.00 S ATOM 694 CE MET A 44 3.086 1.205 -4.388 1.00 0.00 C ATOM 0 H MET A 44 2.926 0.563 0.528 1.00 0.00 H new ATOM 0 HA MET A 44 1.814 -1.611 -0.842 1.00 0.00 H new ATOM 0 HB2 MET A 44 3.020 0.504 -1.690 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.515 -0.354 -1.374 1.00 0.00 H new ATOM 0 HG2 MET A 44 3.811 -2.159 -2.910 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.306 -1.315 -3.219 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.949 1.491 -5.431 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.118 0.969 -3.946 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.542 2.031 -3.842 1.00 0.00 H new ATOM 704 N LYS A 45 4.726 -2.222 0.586 1.00 0.00 N ATOM 705 CA LYS A 45 5.570 -3.286 1.065 1.00 0.00 C ATOM 706 C LYS A 45 4.902 -4.040 2.212 1.00 0.00 C ATOM 707 O LYS A 45 4.895 -5.270 2.237 1.00 0.00 O ATOM 708 CB LYS A 45 6.892 -2.710 1.538 1.00 0.00 C ATOM 709 CG LYS A 45 7.628 -1.908 0.484 1.00 0.00 C ATOM 710 CD LYS A 45 8.347 -2.806 -0.500 1.00 0.00 C ATOM 711 CE LYS A 45 9.703 -3.246 0.030 1.00 0.00 C ATOM 712 NZ LYS A 45 9.607 -4.108 1.239 1.00 0.00 N ATOM 0 H LYS A 45 5.066 -1.285 0.802 1.00 0.00 H new ATOM 0 HA LYS A 45 5.741 -3.986 0.247 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.710 -2.073 2.403 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.533 -3.526 1.872 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.921 -1.274 -0.051 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.348 -1.246 0.966 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.735 -3.684 -0.707 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.479 -2.279 -1.445 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.234 -3.787 -0.753 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.297 -2.364 0.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.485 -4.656 1.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.467 -3.512 2.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.803 -4.759 1.138 1.00 0.00 H new ATOM 726 N ALA A 46 4.310 -3.291 3.147 1.00 0.00 N ATOM 727 CA ALA A 46 3.694 -3.868 4.350 1.00 0.00 C ATOM 728 C ALA A 46 2.582 -4.846 4.000 1.00 0.00 C ATOM 729 O ALA A 46 2.472 -5.914 4.601 1.00 0.00 O ATOM 730 CB ALA A 46 3.165 -2.769 5.255 1.00 0.00 C ATOM 0 H ALA A 46 4.243 -2.275 3.094 1.00 0.00 H new ATOM 0 HA ALA A 46 4.468 -4.423 4.881 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.712 -3.214 6.141 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.986 -2.118 5.555 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.417 -2.185 4.719 1.00 0.00 H new ATOM 736 N TYR A 47 1.752 -4.476 3.034 1.00 0.00 N ATOM 737 CA TYR A 47 0.668 -5.327 2.569 1.00 0.00 C ATOM 738 C TYR A 47 1.195 -6.688 2.162 1.00 0.00 C ATOM 739 O TYR A 47 0.711 -7.714 2.625 1.00 0.00 O ATOM 740 CB TYR A 47 -0.070 -4.654 1.393 1.00 0.00 C ATOM 741 CG TYR A 47 -1.023 -5.566 0.637 1.00 0.00 C ATOM 742 CD1 TYR A 47 -2.356 -5.678 1.016 1.00 0.00 C ATOM 743 CD2 TYR A 47 -0.589 -6.306 -0.462 1.00 0.00 C ATOM 744 CE1 TYR A 47 -3.229 -6.497 0.326 1.00 0.00 C ATOM 745 CE2 TYR A 47 -1.456 -7.128 -1.154 1.00 0.00 C ATOM 746 CZ TYR A 47 -2.775 -7.221 -0.757 1.00 0.00 C ATOM 747 OH TYR A 47 -3.645 -8.038 -1.448 1.00 0.00 O ATOM 0 H TYR A 47 1.812 -3.579 2.552 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.039 -5.468 3.387 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.631 -3.801 1.774 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.669 -4.263 0.694 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.715 -5.115 1.865 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.442 -6.235 -0.777 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.262 -6.570 0.633 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.104 -7.696 -2.002 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.538 -7.977 -1.049 1.00 0.00 H new ATOM 757 N CYS A 48 2.206 -6.696 1.332 1.00 0.00 N ATOM 758 CA CYS A 48 2.789 -7.930 0.849 1.00 0.00 C ATOM 759 C CYS A 48 3.405 -8.735 1.996 1.00 0.00 C ATOM 760 O CYS A 48 3.361 -9.960 2.003 1.00 0.00 O ATOM 761 CB CYS A 48 3.836 -7.606 -0.192 1.00 0.00 C ATOM 762 SG CYS A 48 3.262 -6.452 -1.440 1.00 0.00 S ATOM 0 H CYS A 48 2.650 -5.852 0.970 1.00 0.00 H new ATOM 0 HA CYS A 48 2.005 -8.542 0.403 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.713 -7.189 0.303 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.153 -8.529 -0.678 1.00 0.00 H new ATOM 0 HG CYS A 48 4.284 -5.928 -2.049 1.00 0.00 H new ATOM 768 N GLU A 49 3.959 -8.035 2.975 1.00 0.00 N ATOM 769 CA GLU A 49 4.579 -8.662 4.126 1.00 0.00 C ATOM 770 C GLU A 49 3.567 -9.450 4.954 1.00 0.00 C ATOM 771 O GLU A 49 3.860 -10.537 5.447 1.00 0.00 O ATOM 772 CB GLU A 49 5.242 -7.596 4.987 1.00 0.00 C ATOM 773 CG GLU A 49 6.364 -6.874 4.282 1.00 0.00 C ATOM 774 CD GLU A 49 7.441 -7.810 3.803 1.00 0.00 C ATOM 775 OE1 GLU A 49 8.167 -8.365 4.641 1.00 0.00 O ATOM 776 OE2 GLU A 49 7.561 -8.009 2.580 1.00 0.00 O ATOM 0 H GLU A 49 3.990 -7.016 2.991 1.00 0.00 H new ATOM 0 HA GLU A 49 5.328 -9.367 3.767 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.490 -6.870 5.298 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.631 -8.060 5.893 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.960 -6.324 3.432 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.800 -6.139 4.958 1.00 0.00 H new ATOM 783 N ARG A 50 2.377 -8.909 5.103 1.00 0.00 N ATOM 784 CA ARG A 50 1.338 -9.572 5.879 1.00 0.00 C ATOM 785 C ARG A 50 0.477 -10.479 5.014 1.00 0.00 C ATOM 786 O ARG A 50 -0.182 -11.380 5.514 1.00 0.00 O ATOM 787 CB ARG A 50 0.469 -8.548 6.619 1.00 0.00 C ATOM 788 CG ARG A 50 0.116 -7.324 5.794 1.00 0.00 C ATOM 789 CD ARG A 50 -0.794 -6.372 6.551 1.00 0.00 C ATOM 790 NE ARG A 50 -0.418 -6.238 7.967 1.00 0.00 N ATOM 791 CZ ARG A 50 -0.093 -5.086 8.572 1.00 0.00 C ATOM 792 NH1 ARG A 50 -0.066 -3.947 7.888 1.00 0.00 N ATOM 793 NH2 ARG A 50 0.198 -5.081 9.864 1.00 0.00 N ATOM 0 H ARG A 50 2.100 -8.014 4.700 1.00 0.00 H new ATOM 0 HA ARG A 50 1.838 -10.199 6.617 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.452 -9.034 6.941 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.992 -8.227 7.520 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.030 -6.803 5.509 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.373 -7.637 4.872 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.764 -5.391 6.076 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.822 -6.727 6.484 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.403 -7.087 8.532 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.294 -3.944 6.894 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.182 -3.076 8.357 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.175 -5.951 10.395 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.446 -4.207 10.328 1.00 0.00 H new ATOM 807 N GLN A 51 0.472 -10.242 3.709 1.00 0.00 N ATOM 808 CA GLN A 51 -0.329 -11.055 2.804 1.00 0.00 C ATOM 809 C GLN A 51 0.475 -12.184 2.189 1.00 0.00 C ATOM 810 O GLN A 51 -0.067 -13.021 1.473 1.00 0.00 O ATOM 811 CB GLN A 51 -0.977 -10.196 1.711 1.00 0.00 C ATOM 812 CG GLN A 51 -2.003 -9.218 2.250 1.00 0.00 C ATOM 813 CD GLN A 51 -3.017 -9.888 3.148 1.00 0.00 C ATOM 814 OE1 GLN A 51 -4.074 -10.325 2.702 1.00 0.00 O ATOM 815 NE2 GLN A 51 -2.687 -9.986 4.421 1.00 0.00 N ATOM 0 H GLN A 51 1.008 -9.501 3.257 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.121 -11.505 3.402 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.200 -9.643 1.184 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.455 -10.849 0.981 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.494 -8.430 2.805 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.518 -8.740 1.417 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.798 -9.608 4.748 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.321 -10.440 5.079 1.00 0.00 H new ATOM 824 N GLY A 52 1.772 -12.226 2.467 1.00 0.00 N ATOM 825 CA GLY A 52 2.613 -13.283 1.919 1.00 0.00 C ATOM 826 C GLY A 52 2.940 -13.072 0.452 1.00 0.00 C ATOM 827 O GLY A 52 3.492 -13.957 -0.212 1.00 0.00 O ATOM 0 H GLY A 52 2.258 -11.553 3.059 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.540 -13.336 2.489 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.109 -14.242 2.040 1.00 0.00 H new ATOM 831 N LEU A 53 2.607 -11.905 -0.058 1.00 0.00 N ATOM 832 CA LEU A 53 2.837 -11.574 -1.453 1.00 0.00 C ATOM 833 C LEU A 53 4.219 -10.997 -1.679 1.00 0.00 C ATOM 834 O LEU A 53 4.897 -10.560 -0.745 1.00 0.00 O ATOM 835 CB LEU A 53 1.773 -10.589 -1.948 1.00 0.00 C ATOM 836 CG LEU A 53 0.557 -11.201 -2.652 1.00 0.00 C ATOM 837 CD1 LEU A 53 0.009 -12.376 -1.871 1.00 0.00 C ATOM 838 CD2 LEU A 53 -0.518 -10.151 -2.843 1.00 0.00 C ATOM 0 H LEU A 53 2.169 -11.158 0.481 1.00 0.00 H new ATOM 0 HA LEU A 53 2.768 -12.501 -2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.419 -10.010 -1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.248 -9.888 -2.634 1.00 0.00 H new ATOM 0 HG LEU A 53 0.877 -11.565 -3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.853 -12.790 -2.394 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.779 -13.142 -1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.294 -12.043 -0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.377 -10.597 -3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.825 -9.764 -1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.126 -9.336 -3.451 1.00 0.00 H new ATOM 850 N SER A 54 4.638 -11.007 -2.924 1.00 0.00 N ATOM 851 CA SER A 54 5.920 -10.468 -3.311 1.00 0.00 C ATOM 852 C SER A 54 5.748 -9.247 -4.201 1.00 0.00 C ATOM 853 O SER A 54 4.936 -9.251 -5.124 1.00 0.00 O ATOM 854 CB SER A 54 6.727 -11.531 -4.028 1.00 0.00 C ATOM 855 OG SER A 54 7.315 -12.431 -3.108 1.00 0.00 O ATOM 0 H SER A 54 4.097 -11.391 -3.699 1.00 0.00 H new ATOM 0 HA SER A 54 6.453 -10.159 -2.412 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.083 -12.079 -4.716 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.505 -11.059 -4.627 1.00 0.00 H new ATOM 0 HG SER A 54 7.829 -13.108 -3.596 1.00 0.00 H new ATOM 861 N MET A 55 6.543 -8.219 -3.941 1.00 0.00 N ATOM 862 CA MET A 55 6.469 -6.949 -4.675 1.00 0.00 C ATOM 863 C MET A 55 6.731 -7.142 -6.174 1.00 0.00 C ATOM 864 O MET A 55 6.237 -6.388 -7.000 1.00 0.00 O ATOM 865 CB MET A 55 7.490 -5.949 -4.104 1.00 0.00 C ATOM 866 CG MET A 55 7.391 -5.724 -2.605 1.00 0.00 C ATOM 867 SD MET A 55 5.902 -4.837 -2.118 1.00 0.00 S ATOM 868 CE MET A 55 6.052 -3.349 -3.102 1.00 0.00 C ATOM 0 H MET A 55 7.260 -8.235 -3.216 1.00 0.00 H new ATOM 0 HA MET A 55 5.458 -6.560 -4.553 1.00 0.00 H new ATOM 0 HB2 MET A 55 8.494 -6.302 -4.339 1.00 0.00 H new ATOM 0 HB3 MET A 55 7.362 -4.992 -4.610 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.414 -6.688 -2.097 1.00 0.00 H new ATOM 0 HG3 MET A 55 8.265 -5.166 -2.269 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.825 -2.480 -2.484 1.00 0.00 H new ATOM 0 HE2 MET A 55 7.069 -3.267 -3.485 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.353 -3.393 -3.937 1.00 0.00 H new ATOM 878 N ARG A 56 7.512 -8.160 -6.522 1.00 0.00 N ATOM 879 CA ARG A 56 7.852 -8.416 -7.926 1.00 0.00 C ATOM 880 C ARG A 56 6.749 -9.213 -8.617 1.00 0.00 C ATOM 881 O ARG A 56 6.486 -9.045 -9.804 1.00 0.00 O ATOM 882 CB ARG A 56 9.188 -9.171 -8.052 1.00 0.00 C ATOM 883 CG ARG A 56 10.348 -8.551 -7.280 1.00 0.00 C ATOM 884 CD ARG A 56 10.485 -9.162 -5.888 1.00 0.00 C ATOM 885 NE ARG A 56 10.964 -10.548 -5.940 1.00 0.00 N ATOM 886 CZ ARG A 56 11.123 -11.340 -4.871 1.00 0.00 C ATOM 887 NH1 ARG A 56 10.826 -10.897 -3.658 1.00 0.00 N ATOM 888 NH2 ARG A 56 11.582 -12.570 -5.020 1.00 0.00 N ATOM 0 H ARG A 56 7.921 -8.819 -5.860 1.00 0.00 H new ATOM 0 HA ARG A 56 7.952 -7.447 -8.415 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.045 -10.194 -7.705 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.460 -9.227 -9.106 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.275 -8.697 -7.835 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.194 -7.475 -7.193 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.175 -8.562 -5.295 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.520 -9.131 -5.382 1.00 0.00 H new ATOM 0 HE ARG A 56 11.192 -10.936 -6.855 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.474 -9.948 -3.534 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.949 -11.505 -2.849 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.816 -12.918 -5.950 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.702 -13.172 -4.205 1.00 0.00 H new ATOM 902 N GLN A 57 6.100 -10.085 -7.864 1.00 0.00 N ATOM 903 CA GLN A 57 5.038 -10.931 -8.397 1.00 0.00 C ATOM 904 C GLN A 57 3.731 -10.166 -8.509 1.00 0.00 C ATOM 905 O GLN A 57 2.833 -10.541 -9.256 1.00 0.00 O ATOM 906 CB GLN A 57 4.851 -12.171 -7.512 1.00 0.00 C ATOM 907 CG GLN A 57 5.814 -13.296 -7.819 1.00 0.00 C ATOM 908 CD GLN A 57 7.105 -13.165 -7.072 1.00 0.00 C ATOM 909 OE1 GLN A 57 7.281 -13.733 -6.008 1.00 0.00 O ATOM 910 NE2 GLN A 57 8.005 -12.396 -7.609 1.00 0.00 N ATOM 0 H GLN A 57 6.290 -10.228 -6.872 1.00 0.00 H new ATOM 0 HA GLN A 57 5.331 -11.249 -9.398 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.968 -11.881 -6.468 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.831 -12.537 -7.628 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.347 -14.248 -7.567 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.018 -13.314 -8.890 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.818 -11.939 -8.501 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.898 -12.250 -7.138 1.00 0.00 H new ATOM 919 N ILE A 58 3.620 -9.093 -7.763 1.00 0.00 N ATOM 920 CA ILE A 58 2.400 -8.310 -7.763 1.00 0.00 C ATOM 921 C ILE A 58 2.637 -6.889 -8.254 1.00 0.00 C ATOM 922 O ILE A 58 3.755 -6.515 -8.602 1.00 0.00 O ATOM 923 CB ILE A 58 1.757 -8.271 -6.363 1.00 0.00 C ATOM 924 CG1 ILE A 58 2.493 -7.294 -5.451 1.00 0.00 C ATOM 925 CG2 ILE A 58 1.775 -9.666 -5.752 1.00 0.00 C ATOM 926 CD1 ILE A 58 1.764 -7.022 -4.164 1.00 0.00 C ATOM 0 H ILE A 58 4.354 -8.740 -7.149 1.00 0.00 H new ATOM 0 HA ILE A 58 1.716 -8.804 -8.454 1.00 0.00 H new ATOM 0 HB ILE A 58 0.727 -7.931 -6.465 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.482 -7.693 -5.224 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.643 -6.354 -5.982 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.320 -9.636 -4.762 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.213 -10.349 -6.389 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.805 -10.013 -5.667 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.340 -6.320 -3.561 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.786 -6.594 -4.383 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.637 -7.954 -3.614 1.00 0.00 H new ATOM 938 N ARG A 59 1.571 -6.100 -8.293 1.00 0.00 N ATOM 939 CA ARG A 59 1.653 -4.711 -8.698 1.00 0.00 C ATOM 940 C ARG A 59 0.455 -3.943 -8.156 1.00 0.00 C ATOM 941 O ARG A 59 -0.662 -4.471 -8.095 1.00 0.00 O ATOM 942 CB ARG A 59 1.724 -4.582 -10.230 1.00 0.00 C ATOM 943 CG ARG A 59 2.049 -3.173 -10.722 1.00 0.00 C ATOM 944 CD ARG A 59 3.429 -2.724 -10.250 1.00 0.00 C ATOM 945 NE ARG A 59 3.739 -1.353 -10.662 1.00 0.00 N ATOM 946 CZ ARG A 59 4.910 -0.742 -10.429 1.00 0.00 C ATOM 947 NH1 ARG A 59 5.879 -1.375 -9.773 1.00 0.00 N ATOM 948 NH2 ARG A 59 5.103 0.508 -10.841 1.00 0.00 N ATOM 0 H ARG A 59 0.631 -6.407 -8.045 1.00 0.00 H new ATOM 0 HA ARG A 59 2.568 -4.286 -8.285 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.480 -5.271 -10.607 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.769 -4.893 -10.655 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.009 -3.148 -11.811 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.294 -2.476 -10.359 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.480 -2.795 -9.163 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.185 -3.401 -10.649 1.00 0.00 H new ATOM 0 HE ARG A 59 3.018 -0.829 -11.158 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.733 -2.330 -9.445 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.768 -0.906 -9.599 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.360 1.003 -11.335 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.994 0.972 -10.663 1.00 0.00 H new ATOM 962 N PHE A 60 0.689 -2.710 -7.743 1.00 0.00 N ATOM 963 CA PHE A 60 -0.354 -1.855 -7.201 1.00 0.00 C ATOM 964 C PHE A 60 -0.916 -0.924 -8.279 1.00 0.00 C ATOM 965 O PHE A 60 -0.179 -0.422 -9.137 1.00 0.00 O ATOM 966 CB PHE A 60 0.198 -1.030 -6.033 1.00 0.00 C ATOM 967 CG PHE A 60 0.243 -1.753 -4.712 1.00 0.00 C ATOM 968 CD1 PHE A 60 0.912 -2.963 -4.578 1.00 0.00 C ATOM 969 CD2 PHE A 60 -0.382 -1.215 -3.599 1.00 0.00 C ATOM 970 CE1 PHE A 60 0.948 -3.616 -3.360 1.00 0.00 C ATOM 971 CE2 PHE A 60 -0.347 -1.862 -2.385 1.00 0.00 C ATOM 972 CZ PHE A 60 0.316 -3.063 -2.262 1.00 0.00 C ATOM 0 H PHE A 60 1.610 -2.272 -7.774 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.164 -2.491 -6.842 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.206 -0.700 -6.285 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.412 -0.134 -5.920 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.408 -3.398 -5.433 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.905 -0.274 -3.685 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.469 -4.557 -3.266 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.840 -1.428 -1.528 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.342 -3.572 -1.310 1.00 0.00 H new ATOM 982 N ARG A 61 -2.217 -0.697 -8.236 1.00 0.00 N ATOM 983 CA ARG A 61 -2.881 0.179 -9.195 1.00 0.00 C ATOM 984 C ARG A 61 -4.015 0.959 -8.524 1.00 0.00 C ATOM 985 O ARG A 61 -4.706 0.445 -7.644 1.00 0.00 O ATOM 986 CB ARG A 61 -3.419 -0.642 -10.379 1.00 0.00 C ATOM 987 CG ARG A 61 -4.139 0.181 -11.438 1.00 0.00 C ATOM 988 CD ARG A 61 -4.663 -0.693 -12.568 1.00 0.00 C ATOM 989 NE ARG A 61 -3.586 -1.272 -13.381 1.00 0.00 N ATOM 990 CZ ARG A 61 -3.754 -2.296 -14.228 1.00 0.00 C ATOM 991 NH1 ARG A 61 -4.946 -2.877 -14.349 1.00 0.00 N ATOM 992 NH2 ARG A 61 -2.735 -2.743 -14.946 1.00 0.00 N ATOM 0 H ARG A 61 -2.842 -1.109 -7.543 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.151 0.897 -9.569 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.588 -1.168 -10.848 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.103 -1.401 -9.999 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.968 0.719 -10.979 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.458 0.930 -11.843 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.269 -1.496 -12.150 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.317 -0.100 -13.207 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.653 -0.870 -13.296 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.735 -2.543 -13.796 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.070 -3.657 -14.995 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.817 -2.307 -14.855 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.868 -3.523 -15.590 1.00 0.00 H new ATOM 1006 N PHE A 62 -4.193 2.208 -8.928 1.00 0.00 N ATOM 1007 CA PHE A 62 -5.241 3.057 -8.383 1.00 0.00 C ATOM 1008 C PHE A 62 -5.645 4.095 -9.419 1.00 0.00 C ATOM 1009 O PHE A 62 -4.797 4.630 -10.117 1.00 0.00 O ATOM 1010 CB PHE A 62 -4.746 3.751 -7.106 1.00 0.00 C ATOM 1011 CG PHE A 62 -5.794 4.578 -6.405 1.00 0.00 C ATOM 1012 CD1 PHE A 62 -6.616 4.009 -5.451 1.00 0.00 C ATOM 1013 CD2 PHE A 62 -5.945 5.924 -6.695 1.00 0.00 C ATOM 1014 CE1 PHE A 62 -7.570 4.765 -4.800 1.00 0.00 C ATOM 1015 CE2 PHE A 62 -6.897 6.685 -6.049 1.00 0.00 C ATOM 1016 CZ PHE A 62 -7.710 6.105 -5.101 1.00 0.00 C ATOM 0 H PHE A 62 -3.618 2.659 -9.639 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.107 2.444 -8.134 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.375 2.994 -6.415 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.902 4.393 -7.359 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.511 2.961 -5.212 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.309 6.384 -7.437 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.206 4.309 -4.056 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.004 7.733 -6.286 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.456 6.698 -4.593 1.00 0.00 H new ATOM 1026 N ASP A 63 -6.948 4.362 -9.530 1.00 0.00 N ATOM 1027 CA ASP A 63 -7.484 5.354 -10.493 1.00 0.00 C ATOM 1028 C ASP A 63 -7.237 4.884 -11.919 1.00 0.00 C ATOM 1029 O ASP A 63 -7.185 5.673 -12.863 1.00 0.00 O ATOM 1030 CB ASP A 63 -6.807 6.719 -10.274 1.00 0.00 C ATOM 1031 CG ASP A 63 -7.513 7.868 -10.968 1.00 0.00 C ATOM 1032 OD1 ASP A 63 -8.704 8.105 -10.682 1.00 0.00 O ATOM 1033 OD2 ASP A 63 -6.877 8.548 -11.798 1.00 0.00 O ATOM 0 H ASP A 63 -7.664 3.906 -8.965 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.557 5.455 -10.331 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.762 6.925 -9.205 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.779 6.666 -10.632 1.00 0.00 H new ATOM 1038 N GLY A 64 -7.087 3.585 -12.077 1.00 0.00 N ATOM 1039 CA GLY A 64 -6.829 3.026 -13.380 1.00 0.00 C ATOM 1040 C GLY A 64 -5.357 3.046 -13.720 1.00 0.00 C ATOM 1041 O GLY A 64 -4.883 2.254 -14.538 1.00 0.00 O ATOM 0 H GLY A 64 -7.140 2.903 -11.321 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.196 2.000 -13.414 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.383 3.588 -14.132 1.00 0.00 H new ATOM 1045 N GLN A 65 -4.616 3.940 -13.087 1.00 0.00 N ATOM 1046 CA GLN A 65 -3.189 4.057 -13.342 1.00 0.00 C ATOM 1047 C GLN A 65 -2.383 3.241 -12.330 1.00 0.00 C ATOM 1048 O GLN A 65 -2.733 3.175 -11.150 1.00 0.00 O ATOM 1049 CB GLN A 65 -2.751 5.526 -13.299 1.00 0.00 C ATOM 1050 CG GLN A 65 -3.054 6.207 -11.981 1.00 0.00 C ATOM 1051 CD GLN A 65 -2.368 7.543 -11.824 1.00 0.00 C ATOM 1052 OE1 GLN A 65 -2.141 8.264 -12.793 1.00 0.00 O ATOM 1053 NE2 GLN A 65 -2.021 7.873 -10.601 1.00 0.00 N ATOM 0 H GLN A 65 -4.978 4.595 -12.394 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.995 3.661 -14.339 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.680 5.583 -13.491 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.248 6.069 -14.103 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.131 6.348 -11.893 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.750 5.553 -11.164 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.229 7.245 -9.825 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.544 8.758 -10.427 1.00 0.00 H new ATOM 1062 N PRO A 66 -1.320 2.573 -12.779 1.00 0.00 N ATOM 1063 CA PRO A 66 -0.441 1.838 -11.884 1.00 0.00 C ATOM 1064 C PRO A 66 0.367 2.797 -11.018 1.00 0.00 C ATOM 1065 O PRO A 66 0.889 3.806 -11.505 1.00 0.00 O ATOM 1066 CB PRO A 66 0.475 1.059 -12.828 1.00 0.00 C ATOM 1067 CG PRO A 66 0.463 1.836 -14.098 1.00 0.00 C ATOM 1068 CD PRO A 66 -0.895 2.475 -14.188 1.00 0.00 C ATOM 0 HA PRO A 66 -0.984 1.191 -11.196 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.484 0.979 -12.423 1.00 0.00 H new ATOM 0 HB3 PRO A 66 0.112 0.043 -12.983 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.249 2.591 -14.099 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.644 1.186 -14.954 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.847 3.455 -14.663 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.586 1.870 -14.775 1.00 0.00 H new ATOM 1076 N ILE A 67 0.473 2.498 -9.743 1.00 0.00 N ATOM 1077 CA ILE A 67 1.194 3.366 -8.834 1.00 0.00 C ATOM 1078 C ILE A 67 2.562 2.794 -8.517 1.00 0.00 C ATOM 1079 O ILE A 67 2.912 1.702 -8.981 1.00 0.00 O ATOM 1080 CB ILE A 67 0.404 3.650 -7.540 1.00 0.00 C ATOM 1081 CG1 ILE A 67 -0.080 2.346 -6.897 1.00 0.00 C ATOM 1082 CG2 ILE A 67 -0.766 4.583 -7.836 1.00 0.00 C ATOM 1083 CD1 ILE A 67 -0.944 2.547 -5.668 1.00 0.00 C ATOM 0 H ILE A 67 0.072 1.665 -9.312 1.00 0.00 H new ATOM 0 HA ILE A 67 1.324 4.322 -9.342 1.00 0.00 H new ATOM 0 HB ILE A 67 1.067 4.142 -6.828 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.644 1.776 -7.636 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.787 1.744 -6.624 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.318 4.778 -6.916 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.389 5.523 -8.239 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.429 4.116 -8.565 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.245 1.577 -5.273 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.378 3.088 -4.910 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.831 3.121 -5.937 1.00 0.00 H new ATOM 1095 N ASN A 68 3.343 3.515 -7.734 1.00 0.00 N ATOM 1096 CA ASN A 68 4.712 3.109 -7.475 1.00 0.00 C ATOM 1097 C ASN A 68 5.068 3.305 -6.034 1.00 0.00 C ATOM 1098 O ASN A 68 4.360 3.943 -5.280 1.00 0.00 O ATOM 1099 CB ASN A 68 5.693 3.925 -8.323 1.00 0.00 C ATOM 1100 CG ASN A 68 5.146 4.305 -9.673 1.00 0.00 C ATOM 1101 OD1 ASN A 68 5.288 3.573 -10.653 1.00 0.00 O ATOM 1102 ND2 ASN A 68 4.523 5.460 -9.732 1.00 0.00 N ATOM 0 H ASN A 68 3.057 4.377 -7.270 1.00 0.00 H new ATOM 0 HA ASN A 68 4.785 2.053 -7.733 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.963 4.831 -7.781 1.00 0.00 H new ATOM 0 HB3 ASN A 68 6.609 3.350 -8.459 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.132 5.784 -10.617 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.430 6.033 -8.893 1.00 0.00 H new ATOM 1109 N GLU A 69 6.203 2.786 -5.652 1.00 0.00 N ATOM 1110 CA GLU A 69 6.682 2.938 -4.297 1.00 0.00 C ATOM 1111 C GLU A 69 7.171 4.373 -4.080 1.00 0.00 C ATOM 1112 O GLU A 69 7.443 4.796 -2.960 1.00 0.00 O ATOM 1113 CB GLU A 69 7.814 1.939 -4.025 1.00 0.00 C ATOM 1114 CG GLU A 69 9.020 2.123 -4.920 1.00 0.00 C ATOM 1115 CD GLU A 69 10.141 1.165 -4.587 1.00 0.00 C ATOM 1116 OE1 GLU A 69 10.966 1.489 -3.709 1.00 0.00 O ATOM 1117 OE2 GLU A 69 10.214 0.091 -5.207 1.00 0.00 O ATOM 0 H GLU A 69 6.820 2.250 -6.262 1.00 0.00 H new ATOM 0 HA GLU A 69 5.867 2.735 -3.602 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.127 2.034 -2.985 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.431 0.927 -4.152 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.722 1.981 -5.959 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.383 3.147 -4.829 1.00 0.00 H new ATOM 1124 N THR A 70 7.265 5.127 -5.170 1.00 0.00 N ATOM 1125 CA THR A 70 7.749 6.484 -5.114 1.00 0.00 C ATOM 1126 C THR A 70 6.623 7.513 -5.327 1.00 0.00 C ATOM 1127 O THR A 70 6.889 8.707 -5.494 1.00 0.00 O ATOM 1128 CB THR A 70 8.884 6.716 -6.152 1.00 0.00 C ATOM 1129 OG1 THR A 70 9.443 8.032 -6.000 1.00 0.00 O ATOM 1130 CG2 THR A 70 8.369 6.545 -7.578 1.00 0.00 C ATOM 0 H THR A 70 7.008 4.810 -6.105 1.00 0.00 H new ATOM 0 HA THR A 70 8.149 6.631 -4.111 1.00 0.00 H new ATOM 0 HB THR A 70 9.657 5.970 -5.968 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.730 8.667 -5.780 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.184 6.713 -8.282 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.982 5.534 -7.706 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.573 7.265 -7.766 1.00 0.00 H new ATOM 1138 N ASP A 71 5.366 7.075 -5.307 1.00 0.00 N ATOM 1139 CA ASP A 71 4.266 8.016 -5.474 1.00 0.00 C ATOM 1140 C ASP A 71 3.668 8.362 -4.115 1.00 0.00 C ATOM 1141 O ASP A 71 3.809 7.600 -3.143 1.00 0.00 O ATOM 1142 CB ASP A 71 3.189 7.493 -6.455 1.00 0.00 C ATOM 1143 CG ASP A 71 2.109 6.668 -5.813 1.00 0.00 C ATOM 1144 OD1 ASP A 71 1.154 7.258 -5.283 1.00 0.00 O ATOM 1145 OD2 ASP A 71 2.204 5.430 -5.884 1.00 0.00 O ATOM 0 H ASP A 71 5.090 6.101 -5.180 1.00 0.00 H new ATOM 0 HA ASP A 71 4.667 8.926 -5.921 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.729 8.344 -6.957 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.677 6.895 -7.225 1.00 0.00 H new ATOM 1150 N THR A 72 3.041 9.521 -4.023 1.00 0.00 N ATOM 1151 CA THR A 72 2.474 9.978 -2.776 1.00 0.00 C ATOM 1152 C THR A 72 0.963 10.160 -2.887 1.00 0.00 C ATOM 1153 O THR A 72 0.453 10.539 -3.948 1.00 0.00 O ATOM 1154 CB THR A 72 3.114 11.315 -2.334 1.00 0.00 C ATOM 1155 OG1 THR A 72 2.961 12.301 -3.372 1.00 0.00 O ATOM 1156 CG2 THR A 72 4.590 11.131 -2.034 1.00 0.00 C ATOM 0 H THR A 72 2.913 10.163 -4.805 1.00 0.00 H new ATOM 0 HA THR A 72 2.685 9.212 -2.029 1.00 0.00 H new ATOM 0 HB THR A 72 2.608 11.651 -1.429 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.367 13.145 -3.084 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.020 12.084 -1.725 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.710 10.402 -1.233 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.101 10.775 -2.928 1.00 0.00 H new ATOM 1164 N PRO A 73 0.225 9.926 -1.776 1.00 0.00 N ATOM 1165 CA PRO A 73 -1.237 10.056 -1.745 1.00 0.00 C ATOM 1166 C PRO A 73 -1.695 11.481 -2.042 1.00 0.00 C ATOM 1167 O PRO A 73 -2.846 11.720 -2.399 1.00 0.00 O ATOM 1168 CB PRO A 73 -1.608 9.665 -0.306 1.00 0.00 C ATOM 1169 CG PRO A 73 -0.355 9.844 0.473 1.00 0.00 C ATOM 1170 CD PRO A 73 0.761 9.513 -0.470 1.00 0.00 C ATOM 0 HA PRO A 73 -1.715 9.435 -2.503 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.408 10.296 0.081 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.962 8.635 -0.255 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.266 10.866 0.841 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.339 9.189 1.344 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.674 10.053 -0.220 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.003 8.450 -0.451 1.00 0.00 H new ATOM 1178 N ALA A 74 -0.791 12.430 -1.899 1.00 0.00 N ATOM 1179 CA ALA A 74 -1.100 13.822 -2.171 1.00 0.00 C ATOM 1180 C ALA A 74 -1.060 14.094 -3.665 1.00 0.00 C ATOM 1181 O ALA A 74 -1.781 14.952 -4.178 1.00 0.00 O ATOM 1182 CB ALA A 74 -0.122 14.733 -1.447 1.00 0.00 C ATOM 0 H ALA A 74 0.168 12.262 -1.595 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.106 14.028 -1.806 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.367 15.773 -1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.189 14.558 -0.373 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.892 14.522 -1.787 1.00 0.00 H new ATOM 1188 N GLN A 75 -0.228 13.343 -4.371 1.00 0.00 N ATOM 1189 CA GLN A 75 -0.059 13.520 -5.799 1.00 0.00 C ATOM 1190 C GLN A 75 -1.321 13.121 -6.546 1.00 0.00 C ATOM 1191 O GLN A 75 -1.892 13.908 -7.296 1.00 0.00 O ATOM 1192 CB GLN A 75 1.103 12.672 -6.291 1.00 0.00 C ATOM 1193 CG GLN A 75 1.514 12.970 -7.720 1.00 0.00 C ATOM 1194 CD GLN A 75 2.677 12.118 -8.187 1.00 0.00 C ATOM 1195 OE1 GLN A 75 2.782 11.788 -9.368 1.00 0.00 O ATOM 1196 NE2 GLN A 75 3.565 11.769 -7.271 1.00 0.00 N ATOM 0 H GLN A 75 0.344 12.600 -3.970 1.00 0.00 H new ATOM 0 HA GLN A 75 0.145 14.574 -5.990 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.960 12.830 -5.636 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.832 11.619 -6.213 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.662 12.806 -8.380 1.00 0.00 H new ATOM 0 HG3 GLN A 75 1.784 14.023 -7.803 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.441 12.063 -6.302 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.374 11.206 -7.533 1.00 0.00 H new ATOM 1205 N LEU A 76 -1.770 11.902 -6.321 1.00 0.00 N ATOM 1206 CA LEU A 76 -2.945 11.397 -7.012 1.00 0.00 C ATOM 1207 C LEU A 76 -4.237 11.730 -6.254 1.00 0.00 C ATOM 1208 O LEU A 76 -5.305 11.202 -6.564 1.00 0.00 O ATOM 1209 CB LEU A 76 -2.828 9.879 -7.290 1.00 0.00 C ATOM 1210 CG LEU A 76 -3.083 8.911 -6.119 1.00 0.00 C ATOM 1211 CD1 LEU A 76 -2.904 7.480 -6.582 1.00 0.00 C ATOM 1212 CD2 LEU A 76 -2.161 9.192 -4.949 1.00 0.00 C ATOM 0 H LEU A 76 -1.343 11.244 -5.669 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.996 11.905 -7.975 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.527 9.630 -8.088 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.826 9.685 -7.672 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.108 9.062 -5.781 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.086 6.802 -5.748 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.610 7.266 -7.384 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.887 7.340 -6.947 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.371 8.489 -4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.125 9.080 -5.267 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.323 10.210 -4.594 1.00 0.00 H new ATOM 1224 N GLU A 77 -4.126 12.624 -5.258 1.00 0.00 N ATOM 1225 CA GLU A 77 -5.272 13.083 -4.458 1.00 0.00 C ATOM 1226 C GLU A 77 -6.071 11.917 -3.877 1.00 0.00 C ATOM 1227 O GLU A 77 -7.245 11.710 -4.199 1.00 0.00 O ATOM 1228 CB GLU A 77 -6.168 14.012 -5.279 1.00 0.00 C ATOM 1229 CG GLU A 77 -5.455 15.269 -5.749 1.00 0.00 C ATOM 1230 CD GLU A 77 -6.334 16.158 -6.590 1.00 0.00 C ATOM 1231 OE1 GLU A 77 -7.050 17.000 -6.019 1.00 0.00 O ATOM 1232 OE2 GLU A 77 -6.306 16.021 -7.834 1.00 0.00 O ATOM 0 H GLU A 77 -3.239 13.048 -4.985 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.875 13.647 -3.614 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.545 13.470 -6.146 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.033 14.295 -4.680 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.104 15.828 -4.882 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.573 14.988 -6.325 1.00 0.00 H new ATOM 1239 N MET A 78 -5.420 11.148 -3.034 1.00 0.00 N ATOM 1240 CA MET A 78 -6.023 9.986 -2.410 1.00 0.00 C ATOM 1241 C MET A 78 -6.860 10.390 -1.206 1.00 0.00 C ATOM 1242 O MET A 78 -6.386 11.099 -0.310 1.00 0.00 O ATOM 1243 CB MET A 78 -4.923 9.028 -1.973 1.00 0.00 C ATOM 1244 CG MET A 78 -5.071 7.618 -2.502 1.00 0.00 C ATOM 1245 SD MET A 78 -3.547 6.684 -2.333 1.00 0.00 S ATOM 1246 CE MET A 78 -3.947 5.219 -3.264 1.00 0.00 C ATOM 0 H MET A 78 -4.451 11.310 -2.759 1.00 0.00 H new ATOM 0 HA MET A 78 -6.678 9.498 -3.132 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.962 9.426 -2.299 1.00 0.00 H new ATOM 0 HB3 MET A 78 -4.901 8.993 -0.884 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.871 7.109 -1.964 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.363 7.652 -3.552 1.00 0.00 H new ATOM 0 HE1 MET A 78 -3.157 4.479 -3.136 1.00 0.00 H new ATOM 0 HE2 MET A 78 -4.891 4.807 -2.906 1.00 0.00 H new ATOM 0 HE3 MET A 78 -4.039 5.473 -4.320 1.00 0.00 H new ATOM 1256 N GLU A 79 -8.105 9.958 -1.192 1.00 0.00 N ATOM 1257 CA GLU A 79 -9.002 10.211 -0.108 1.00 0.00 C ATOM 1258 C GLU A 79 -8.843 9.097 0.934 1.00 0.00 C ATOM 1259 O GLU A 79 -8.373 8.002 0.611 1.00 0.00 O ATOM 1260 CB GLU A 79 -10.416 10.223 -0.673 1.00 0.00 C ATOM 1261 CG GLU A 79 -11.499 10.508 0.324 1.00 0.00 C ATOM 1262 CD GLU A 79 -11.493 11.940 0.819 1.00 0.00 C ATOM 1263 OE1 GLU A 79 -12.006 12.824 0.106 1.00 0.00 O ATOM 1264 OE2 GLU A 79 -10.991 12.184 1.932 1.00 0.00 O ATOM 0 H GLU A 79 -8.518 9.414 -1.950 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.791 11.167 0.372 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.467 10.970 -1.465 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.614 9.255 -1.134 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.467 10.291 -0.128 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.387 9.836 1.175 1.00 0.00 H new ATOM 1271 N ASP A 80 -9.207 9.359 2.181 1.00 0.00 N ATOM 1272 CA ASP A 80 -9.100 8.334 3.211 1.00 0.00 C ATOM 1273 C ASP A 80 -10.190 7.303 3.044 1.00 0.00 C ATOM 1274 O ASP A 80 -11.255 7.585 2.483 1.00 0.00 O ATOM 1275 CB ASP A 80 -9.140 8.920 4.632 1.00 0.00 C ATOM 1276 CG ASP A 80 -10.380 9.726 4.919 1.00 0.00 C ATOM 1277 OD1 ASP A 80 -10.437 10.894 4.503 1.00 0.00 O ATOM 1278 OD2 ASP A 80 -11.295 9.201 5.579 1.00 0.00 O ATOM 0 H ASP A 80 -9.573 10.256 2.501 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.127 7.858 3.085 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -9.071 8.106 5.353 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.264 9.552 4.780 1.00 0.00 H new ATOM 1283 N GLU A 81 -9.905 6.090 3.512 1.00 0.00 N ATOM 1284 CA GLU A 81 -10.822 4.965 3.439 1.00 0.00 C ATOM 1285 C GLU A 81 -10.995 4.491 2.003 1.00 0.00 C ATOM 1286 O GLU A 81 -11.900 3.717 1.687 1.00 0.00 O ATOM 1287 CB GLU A 81 -12.149 5.327 4.087 1.00 0.00 C ATOM 1288 CG GLU A 81 -12.009 5.576 5.572 1.00 0.00 C ATOM 1289 CD GLU A 81 -11.972 4.290 6.360 1.00 0.00 C ATOM 1290 OE1 GLU A 81 -10.912 3.630 6.386 1.00 0.00 O ATOM 1291 OE2 GLU A 81 -13.007 3.924 6.952 1.00 0.00 O ATOM 0 H GLU A 81 -9.017 5.862 3.958 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.398 4.129 3.996 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -12.555 6.218 3.607 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.864 4.522 3.921 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.097 6.143 5.760 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -12.842 6.189 5.917 1.00 0.00 H new ATOM 1298 N ASP A 82 -10.097 4.937 1.133 1.00 0.00 N ATOM 1299 CA ASP A 82 -10.127 4.546 -0.271 1.00 0.00 C ATOM 1300 C ASP A 82 -9.467 3.176 -0.442 1.00 0.00 C ATOM 1301 O ASP A 82 -8.795 2.683 0.471 1.00 0.00 O ATOM 1302 CB ASP A 82 -9.415 5.585 -1.130 1.00 0.00 C ATOM 1303 CG ASP A 82 -10.064 5.756 -2.482 1.00 0.00 C ATOM 1304 OD1 ASP A 82 -10.458 4.738 -3.097 1.00 0.00 O ATOM 1305 OD2 ASP A 82 -10.191 6.910 -2.939 1.00 0.00 O ATOM 0 H ASP A 82 -9.337 5.572 1.376 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.165 4.484 -0.596 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.410 6.542 -0.609 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.374 5.290 -1.264 1.00 0.00 H new ATOM 1310 N THR A 83 -9.650 2.550 -1.594 1.00 0.00 N ATOM 1311 CA THR A 83 -9.112 1.216 -1.816 1.00 0.00 C ATOM 1312 C THR A 83 -8.215 1.132 -3.067 1.00 0.00 C ATOM 1313 O THR A 83 -8.531 1.676 -4.124 1.00 0.00 O ATOM 1314 CB THR A 83 -10.254 0.189 -1.925 1.00 0.00 C ATOM 1315 OG1 THR A 83 -11.157 0.368 -0.822 1.00 0.00 O ATOM 1316 CG2 THR A 83 -9.714 -1.230 -1.901 1.00 0.00 C ATOM 0 H THR A 83 -10.163 2.940 -2.385 1.00 0.00 H new ATOM 0 HA THR A 83 -8.486 0.985 -0.954 1.00 0.00 H new ATOM 0 HB THR A 83 -10.773 0.347 -2.870 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.887 -0.283 -0.888 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.541 -1.935 -1.979 1.00 0.00 H new ATOM 0 HG22 THR A 83 -9.033 -1.374 -2.740 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.179 -1.400 -0.966 1.00 0.00 H new ATOM 1324 N ILE A 84 -7.097 0.424 -2.923 1.00 0.00 N ATOM 1325 CA ILE A 84 -6.135 0.219 -4.004 1.00 0.00 C ATOM 1326 C ILE A 84 -6.329 -1.171 -4.608 1.00 0.00 C ATOM 1327 O ILE A 84 -6.570 -2.136 -3.886 1.00 0.00 O ATOM 1328 CB ILE A 84 -4.655 0.348 -3.507 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -4.337 1.771 -3.038 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -3.676 -0.072 -4.591 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -4.790 2.079 -1.626 1.00 0.00 C ATOM 0 H ILE A 84 -6.831 -0.027 -2.047 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.315 0.993 -4.750 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.546 -0.323 -2.655 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.261 1.931 -3.105 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.807 2.479 -3.720 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.656 0.028 -4.219 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.862 -1.110 -4.867 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.807 0.565 -5.466 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.526 3.106 -1.375 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.871 1.955 -1.555 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.300 1.398 -0.930 1.00 0.00 H new ATOM 1343 N ASP A 85 -6.219 -1.276 -5.925 1.00 0.00 N ATOM 1344 CA ASP A 85 -6.380 -2.555 -6.611 1.00 0.00 C ATOM 1345 C ASP A 85 -5.030 -3.219 -6.846 1.00 0.00 C ATOM 1346 O ASP A 85 -4.163 -2.673 -7.530 1.00 0.00 O ATOM 1347 CB ASP A 85 -7.105 -2.377 -7.953 1.00 0.00 C ATOM 1348 CG ASP A 85 -8.551 -1.958 -7.800 1.00 0.00 C ATOM 1349 OD1 ASP A 85 -9.386 -2.808 -7.406 1.00 0.00 O ATOM 1350 OD2 ASP A 85 -8.869 -0.778 -8.091 1.00 0.00 O ATOM 0 H ASP A 85 -6.018 -0.490 -6.543 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.984 -3.195 -5.968 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.578 -1.630 -8.547 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.062 -3.314 -8.509 1.00 0.00 H new ATOM 1355 N VAL A 86 -4.835 -4.385 -6.262 1.00 0.00 N ATOM 1356 CA VAL A 86 -3.601 -5.138 -6.436 1.00 0.00 C ATOM 1357 C VAL A 86 -3.809 -6.346 -7.344 1.00 0.00 C ATOM 1358 O VAL A 86 -4.796 -7.081 -7.216 1.00 0.00 O ATOM 1359 CB VAL A 86 -3.028 -5.596 -5.077 1.00 0.00 C ATOM 1360 CG1 VAL A 86 -1.942 -6.640 -5.263 1.00 0.00 C ATOM 1361 CG2 VAL A 86 -2.485 -4.409 -4.322 1.00 0.00 C ATOM 0 H VAL A 86 -5.520 -4.838 -5.657 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.883 -4.469 -6.910 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.835 -6.050 -4.502 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.558 -6.943 -4.289 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.356 -7.508 -5.776 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.131 -6.220 -5.858 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.083 -4.740 -3.365 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.694 -3.938 -4.905 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.286 -3.690 -4.150 1.00 0.00 H new ATOM 1371 N PHE A 87 -2.856 -6.579 -8.233 1.00 0.00 N ATOM 1372 CA PHE A 87 -2.945 -7.666 -9.197 1.00 0.00 C ATOM 1373 C PHE A 87 -1.669 -8.487 -9.169 1.00 0.00 C ATOM 1374 O PHE A 87 -0.614 -7.994 -8.758 1.00 0.00 O ATOM 1375 CB PHE A 87 -3.169 -7.107 -10.610 1.00 0.00 C ATOM 1376 CG PHE A 87 -4.364 -6.203 -10.724 1.00 0.00 C ATOM 1377 CD1 PHE A 87 -4.252 -4.853 -10.444 1.00 0.00 C ATOM 1378 CD2 PHE A 87 -5.597 -6.704 -11.102 1.00 0.00 C ATOM 1379 CE1 PHE A 87 -5.344 -4.021 -10.538 1.00 0.00 C ATOM 1380 CE2 PHE A 87 -6.695 -5.874 -11.199 1.00 0.00 C ATOM 1381 CZ PHE A 87 -6.567 -4.531 -10.916 1.00 0.00 C ATOM 0 H PHE A 87 -2.004 -6.024 -8.307 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.789 -8.302 -8.930 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.279 -6.558 -10.918 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.287 -7.939 -11.305 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.296 -4.447 -10.148 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.701 -7.756 -11.323 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.243 -2.969 -10.316 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.653 -6.276 -11.496 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.425 -3.879 -10.990 1.00 0.00 H new ATOM 1391 N GLN A 88 -1.752 -9.742 -9.581 1.00 0.00 N ATOM 1392 CA GLN A 88 -0.581 -10.600 -9.643 1.00 0.00 C ATOM 1393 C GLN A 88 -0.091 -10.722 -11.080 1.00 0.00 C ATOM 1394 O GLN A 88 -0.756 -11.310 -11.926 1.00 0.00 O ATOM 1395 CB GLN A 88 -0.889 -11.999 -9.079 1.00 0.00 C ATOM 1396 CG GLN A 88 -0.695 -12.146 -7.572 1.00 0.00 C ATOM 1397 CD GLN A 88 -1.715 -11.383 -6.741 1.00 0.00 C ATOM 1398 OE1 GLN A 88 -2.777 -11.899 -6.411 1.00 0.00 O ATOM 1399 NE2 GLN A 88 -1.394 -10.156 -6.387 1.00 0.00 N ATOM 0 H GLN A 88 -2.620 -10.189 -9.878 1.00 0.00 H new ATOM 0 HA GLN A 88 0.200 -10.145 -9.033 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.920 -12.254 -9.324 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.253 -12.726 -9.584 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.746 -13.203 -7.311 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.305 -11.800 -7.309 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.502 -9.758 -6.679 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.038 -9.604 -5.820 1.00 0.00 H new ATOM 1408 N GLN A 89 1.070 -10.159 -11.359 1.00 0.00 N ATOM 1409 CA GLN A 89 1.644 -10.231 -12.694 1.00 0.00 C ATOM 1410 C GLN A 89 2.884 -11.107 -12.710 1.00 0.00 C ATOM 1411 O GLN A 89 4.003 -10.638 -12.941 1.00 0.00 O ATOM 1412 CB GLN A 89 1.952 -8.837 -13.278 1.00 0.00 C ATOM 1413 CG GLN A 89 0.720 -8.058 -13.746 1.00 0.00 C ATOM 1414 CD GLN A 89 0.179 -7.083 -12.709 1.00 0.00 C ATOM 1415 OE1 GLN A 89 -0.417 -6.068 -13.052 1.00 0.00 O ATOM 1416 NE2 GLN A 89 0.390 -7.378 -11.449 1.00 0.00 N ATOM 0 H GLN A 89 1.635 -9.647 -10.682 1.00 0.00 H new ATOM 0 HA GLN A 89 0.890 -10.687 -13.335 1.00 0.00 H new ATOM 0 HB2 GLN A 89 2.473 -8.248 -12.523 1.00 0.00 H new ATOM 0 HB3 GLN A 89 2.635 -8.953 -14.120 1.00 0.00 H new ATOM 0 HG2 GLN A 89 0.973 -7.507 -14.652 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -0.066 -8.765 -14.011 1.00 0.00 H new ATOM 0 HE21 GLN A 89 0.890 -8.232 -11.202 1.00 0.00 H new ATOM 0 HE22 GLN A 89 0.054 -6.754 -10.716 1.00 0.00 H new ATOM 1425 N GLN A 90 2.689 -12.372 -12.411 1.00 0.00 N ATOM 1426 CA GLN A 90 3.724 -13.350 -12.449 1.00 0.00 C ATOM 1427 C GLN A 90 3.209 -14.558 -13.222 1.00 0.00 C ATOM 1428 O GLN A 90 2.691 -15.512 -12.645 1.00 0.00 O ATOM 1429 CB GLN A 90 4.115 -13.733 -11.027 1.00 0.00 C ATOM 1430 CG GLN A 90 5.198 -14.777 -10.938 1.00 0.00 C ATOM 1431 CD GLN A 90 6.506 -14.327 -11.561 1.00 0.00 C ATOM 1432 OE1 GLN A 90 7.343 -13.710 -10.901 1.00 0.00 O ATOM 1433 NE2 GLN A 90 6.696 -14.642 -12.829 1.00 0.00 N ATOM 0 H GLN A 90 1.782 -12.746 -12.130 1.00 0.00 H new ATOM 0 HA GLN A 90 4.611 -12.957 -12.946 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.446 -12.838 -10.501 1.00 0.00 H new ATOM 0 HB3 GLN A 90 3.230 -14.100 -10.506 1.00 0.00 H new ATOM 0 HG2 GLN A 90 5.368 -15.028 -9.891 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.860 -15.687 -11.434 1.00 0.00 H new ATOM 0 HE21 GLN A 90 5.977 -15.154 -13.340 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.562 -14.373 -13.297 1.00 0.00 H new ATOM 1442 N THR A 91 3.307 -14.490 -14.532 1.00 0.00 N ATOM 1443 CA THR A 91 2.779 -15.526 -15.397 1.00 0.00 C ATOM 1444 C THR A 91 3.630 -16.790 -15.368 1.00 0.00 C ATOM 1445 O THR A 91 4.775 -16.800 -15.824 1.00 0.00 O ATOM 1446 CB THR A 91 2.678 -15.021 -16.844 1.00 0.00 C ATOM 1447 OG1 THR A 91 2.028 -13.739 -16.856 1.00 0.00 O ATOM 1448 CG2 THR A 91 1.889 -15.999 -17.709 1.00 0.00 C ATOM 0 H THR A 91 3.753 -13.718 -15.028 1.00 0.00 H new ATOM 0 HA THR A 91 1.787 -15.774 -15.019 1.00 0.00 H new ATOM 0 HB THR A 91 3.685 -14.934 -17.253 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.964 -13.413 -17.778 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.832 -15.618 -18.729 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.388 -16.968 -17.711 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.882 -16.110 -17.306 1.00 0.00 H new ATOM 1456 N GLY A 92 3.083 -17.845 -14.795 1.00 0.00 N ATOM 1457 CA GLY A 92 3.750 -19.120 -14.807 1.00 0.00 C ATOM 1458 C GLY A 92 3.126 -20.052 -15.824 1.00 0.00 C ATOM 1459 O GLY A 92 3.047 -19.730 -17.011 1.00 0.00 O ATOM 0 H GLY A 92 2.181 -17.839 -14.318 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.806 -18.979 -15.038 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.698 -19.571 -13.816 1.00 0.00 H new ATOM 1463 N GLY A 93 2.674 -21.197 -15.374 1.00 0.00 N ATOM 1464 CA GLY A 93 2.045 -22.148 -16.257 1.00 0.00 C ATOM 1465 C GLY A 93 2.494 -23.553 -15.962 1.00 0.00 C ATOM 1466 O GLY A 93 2.498 -24.392 -16.883 1.00 0.00 O ATOM 1467 OXT GLY A 93 2.869 -23.824 -14.802 1.00 0.00 O ATOM 0 H GLY A 93 2.730 -21.493 -14.400 1.00 0.00 H new ATOM 0 HA2 GLY A 93 0.962 -22.081 -16.153 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.282 -21.898 -17.291 1.00 0.00 H new TER 1471 GLY A 93