USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 600 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 Single : A 1 MET CE :methyl 165:sc= -0.0316 (180deg=-0.307) USER MOD Single : A 1 MET N :NH3+ 157:sc= 2.4 (180deg=1.52) USER MOD Single : A 3 LYS NZ :NH3+ -158:sc= 2.04 (180deg=0.433) USER MOD Single : A 4 GLN : amide:sc= 1.21 K(o=1.2,f=-0.2) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 29:sc= 0.339 USER MOD Single : A 19 ASN : amide:sc=-0.00797 K(o=-0.008,f=-1.6!) USER MOD Single : A 21 MET CE :methyl 160:sc= -0.265 (180deg=-0.749) USER MOD Single : A 23 LYS NZ :NH3+ -176:sc= 0.681 (180deg=0.517!) USER MOD Single : A 28 ASN : amide:sc= 0.832 K(o=0.83,f=-0.26) USER MOD Single : A 30 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-2.6!) USER MOD Single : A 35 HIS : no HE2:sc= 0.385 K(o=0.39,f=-2.3!) USER MOD Single : A 37 SER OG : rot -150:sc= -1.72! USER MOD Single : A 39 LYS NZ :NH3+ 171:sc= 1.28 (180deg=0.957) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 44 TYR OH : rot 180:sc= 1 USER MOD Single : A 52 LYS NZ :NH3+ 144:sc= 1.52 (180deg=0.0692!) USER MOD Single : A 54 THR OG1 : rot -69:sc= 1.27 USER MOD Single : A 57 MET CE :methyl 164:sc= -0.989 (180deg=-1.67) USER MOD Single : A 58 SER OG : rot 106:sc= 0.741 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -138:sc= 1.28 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 179:sc= 0.514 (180deg=0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.262 -9.299 -2.475 1.00 0.00 N ATOM 2 CA MET A 1 10.766 -10.636 -2.162 1.00 0.00 C ATOM 3 C MET A 1 10.625 -10.764 -0.672 1.00 0.00 C ATOM 4 O MET A 1 11.544 -11.186 0.005 1.00 0.00 O ATOM 5 CB MET A 1 11.676 -11.757 -2.717 1.00 0.00 C ATOM 6 CG MET A 1 11.824 -11.774 -4.239 1.00 0.00 C ATOM 7 SD MET A 1 12.705 -10.331 -4.893 1.00 0.00 S ATOM 8 CE MET A 1 14.365 -10.599 -4.248 1.00 0.00 C ATOM 0 H1 MET A 1 11.725 -9.310 -3.406 1.00 0.00 H new ATOM 0 H2 MET A 1 10.467 -8.629 -2.491 1.00 0.00 H new ATOM 0 H3 MET A 1 11.948 -9.005 -1.751 1.00 0.00 H new ATOM 0 HA MET A 1 9.798 -10.759 -2.648 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.666 -11.655 -2.272 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.279 -12.720 -2.395 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.354 -12.679 -4.535 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.834 -11.822 -4.692 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.068 -9.954 -4.775 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.384 -10.364 -3.184 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.648 -11.641 -4.395 1.00 0.00 H new ATOM 20 N ALA A 2 9.518 -10.308 -0.169 1.00 0.00 N ATOM 21 CA ALA A 2 9.228 -10.343 1.225 1.00 0.00 C ATOM 22 C ALA A 2 7.879 -11.002 1.415 1.00 0.00 C ATOM 23 O ALA A 2 6.827 -10.442 1.056 1.00 0.00 O ATOM 24 CB ALA A 2 9.246 -8.929 1.789 1.00 0.00 C ATOM 0 H ALA A 2 8.777 -9.892 -0.733 1.00 0.00 H new ATOM 0 HA ALA A 2 9.981 -10.920 1.763 1.00 0.00 H new ATOM 0 HB1 ALA A 2 9.024 -8.960 2.856 1.00 0.00 H new ATOM 0 HB2 ALA A 2 10.231 -8.489 1.636 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.496 -8.324 1.279 1.00 0.00 H new ATOM 30 N LYS A 3 7.913 -12.213 1.892 1.00 0.00 N ATOM 31 CA LYS A 3 6.723 -13.015 2.101 1.00 0.00 C ATOM 32 C LYS A 3 6.860 -13.782 3.401 1.00 0.00 C ATOM 33 O LYS A 3 6.332 -14.869 3.556 1.00 0.00 O ATOM 34 CB LYS A 3 6.505 -13.964 0.897 1.00 0.00 C ATOM 35 CG LYS A 3 6.062 -13.241 -0.382 1.00 0.00 C ATOM 36 CD LYS A 3 4.625 -12.733 -0.257 1.00 0.00 C ATOM 37 CE LYS A 3 4.259 -11.725 -1.342 1.00 0.00 C ATOM 38 NZ LYS A 3 4.965 -10.436 -1.156 1.00 0.00 N ATOM 0 H LYS A 3 8.778 -12.686 2.153 1.00 0.00 H new ATOM 0 HA LYS A 3 5.847 -12.371 2.174 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.431 -14.503 0.698 1.00 0.00 H new ATOM 0 HB3 LYS A 3 5.754 -14.708 1.163 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.731 -12.404 -0.581 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.139 -13.919 -1.232 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.940 -13.579 -0.307 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.491 -12.272 0.721 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.507 -12.137 -2.320 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.182 -11.555 -1.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.445 -9.681 -1.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.021 -10.214 -0.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.925 -10.506 -1.549 1.00 0.00 H new ATOM 52 N GLN A 4 7.521 -13.153 4.348 1.00 0.00 N ATOM 53 CA GLN A 4 7.791 -13.752 5.641 1.00 0.00 C ATOM 54 C GLN A 4 7.600 -12.746 6.783 1.00 0.00 C ATOM 55 O GLN A 4 6.524 -12.664 7.368 1.00 0.00 O ATOM 56 CB GLN A 4 9.187 -14.426 5.661 1.00 0.00 C ATOM 57 CG GLN A 4 10.264 -13.690 4.847 1.00 0.00 C ATOM 58 CD GLN A 4 11.632 -14.323 4.971 1.00 0.00 C ATOM 59 OE1 GLN A 4 11.976 -15.233 4.227 1.00 0.00 O ATOM 60 NE2 GLN A 4 12.440 -13.803 5.852 1.00 0.00 N ATOM 0 H GLN A 4 7.889 -12.207 4.244 1.00 0.00 H new ATOM 0 HA GLN A 4 7.057 -14.541 5.808 1.00 0.00 H new ATOM 0 HB2 GLN A 4 9.523 -14.506 6.695 1.00 0.00 H new ATOM 0 HB3 GLN A 4 9.091 -15.442 5.278 1.00 0.00 H new ATOM 0 HG2 GLN A 4 9.971 -13.674 3.797 1.00 0.00 H new ATOM 0 HG3 GLN A 4 10.318 -12.653 5.179 1.00 0.00 H new ATOM 0 HE21 GLN A 4 12.118 -13.046 6.455 1.00 0.00 H new ATOM 0 HE22 GLN A 4 13.394 -14.153 5.938 1.00 0.00 H new ATOM 69 N ASP A 5 8.625 -11.982 7.063 1.00 0.00 N ATOM 70 CA ASP A 5 8.603 -10.945 8.090 1.00 0.00 C ATOM 71 C ASP A 5 7.854 -9.729 7.605 1.00 0.00 C ATOM 72 O ASP A 5 6.886 -9.289 8.217 1.00 0.00 O ATOM 73 CB ASP A 5 10.039 -10.610 8.536 1.00 0.00 C ATOM 74 CG ASP A 5 10.997 -10.563 7.365 1.00 0.00 C ATOM 75 OD1 ASP A 5 11.023 -9.563 6.647 1.00 0.00 O ATOM 76 OD2 ASP A 5 11.653 -11.594 7.110 1.00 0.00 O ATOM 0 H ASP A 5 9.520 -12.056 6.580 1.00 0.00 H new ATOM 0 HA ASP A 5 8.068 -11.317 8.964 1.00 0.00 H new ATOM 0 HB2 ASP A 5 10.045 -9.648 9.049 1.00 0.00 H new ATOM 0 HB3 ASP A 5 10.380 -11.356 9.254 1.00 0.00 H new ATOM 81 N VAL A 6 8.307 -9.197 6.542 1.00 0.00 N ATOM 82 CA VAL A 6 7.639 -8.125 5.858 1.00 0.00 C ATOM 83 C VAL A 6 7.005 -8.732 4.606 1.00 0.00 C ATOM 84 O VAL A 6 7.421 -9.811 4.159 1.00 0.00 O ATOM 85 CB VAL A 6 8.645 -6.982 5.465 1.00 0.00 C ATOM 86 CG1 VAL A 6 7.935 -5.785 4.830 1.00 0.00 C ATOM 87 CG2 VAL A 6 9.451 -6.528 6.676 1.00 0.00 C ATOM 0 H VAL A 6 9.176 -9.491 6.096 1.00 0.00 H new ATOM 0 HA VAL A 6 6.887 -7.671 6.504 1.00 0.00 H new ATOM 0 HB VAL A 6 9.324 -7.400 4.722 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.669 -5.020 4.575 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.417 -6.107 3.927 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.213 -5.374 5.536 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.140 -5.737 6.379 1.00 0.00 H new ATOM 0 HG22 VAL A 6 8.774 -6.151 7.443 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.016 -7.371 7.074 1.00 0.00 H new ATOM 97 N ILE A 7 5.972 -8.111 4.098 1.00 0.00 N ATOM 98 CA ILE A 7 5.301 -8.550 2.899 1.00 0.00 C ATOM 99 C ILE A 7 5.229 -7.362 1.937 1.00 0.00 C ATOM 100 O ILE A 7 4.804 -6.281 2.353 1.00 0.00 O ATOM 101 CB ILE A 7 3.819 -8.970 3.210 1.00 0.00 C ATOM 102 CG1 ILE A 7 3.715 -9.985 4.372 1.00 0.00 C ATOM 103 CG2 ILE A 7 3.133 -9.522 1.966 1.00 0.00 C ATOM 104 CD1 ILE A 7 4.365 -11.324 4.115 1.00 0.00 C ATOM 0 H ILE A 7 5.566 -7.272 4.512 1.00 0.00 H new ATOM 0 HA ILE A 7 5.847 -9.396 2.482 1.00 0.00 H new ATOM 0 HB ILE A 7 3.305 -8.063 3.527 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.167 -9.544 5.260 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.661 -10.148 4.598 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.109 -9.805 2.210 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.123 -8.759 1.187 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.676 -10.397 1.609 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.238 -11.964 4.988 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.899 -11.794 3.249 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.428 -11.181 3.922 1.00 0.00 H new ATOM 116 N GLU A 8 5.654 -7.515 0.683 1.00 0.00 N ATOM 117 CA GLU A 8 5.418 -6.437 -0.254 1.00 0.00 C ATOM 118 C GLU A 8 4.237 -6.814 -1.137 1.00 0.00 C ATOM 119 O GLU A 8 4.137 -7.965 -1.597 1.00 0.00 O ATOM 120 CB GLU A 8 6.647 -6.050 -1.127 1.00 0.00 C ATOM 121 CG GLU A 8 7.030 -7.027 -2.250 1.00 0.00 C ATOM 122 CD GLU A 8 7.838 -8.207 -1.818 1.00 0.00 C ATOM 123 OE1 GLU A 8 9.071 -8.111 -1.803 1.00 0.00 O ATOM 124 OE2 GLU A 8 7.270 -9.282 -1.516 1.00 0.00 O ATOM 0 H GLU A 8 6.138 -8.333 0.313 1.00 0.00 H new ATOM 0 HA GLU A 8 5.206 -5.546 0.337 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.453 -5.075 -1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.508 -5.933 -0.469 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.117 -7.386 -2.725 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.590 -6.481 -3.009 1.00 0.00 H new ATOM 131 N LEU A 9 3.341 -5.903 -1.313 1.00 0.00 N ATOM 132 CA LEU A 9 2.166 -6.111 -2.137 1.00 0.00 C ATOM 133 C LEU A 9 2.054 -4.970 -3.128 1.00 0.00 C ATOM 134 O LEU A 9 2.668 -3.904 -2.924 1.00 0.00 O ATOM 135 CB LEU A 9 0.875 -6.224 -1.288 1.00 0.00 C ATOM 136 CG LEU A 9 0.784 -7.401 -0.287 1.00 0.00 C ATOM 137 CD1 LEU A 9 -0.577 -7.421 0.384 1.00 0.00 C ATOM 138 CD2 LEU A 9 1.036 -8.733 -0.979 1.00 0.00 C ATOM 0 H LEU A 9 3.391 -4.976 -0.890 1.00 0.00 H new ATOM 0 HA LEU A 9 2.277 -7.056 -2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.757 -5.296 -0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.028 -6.295 -1.970 1.00 0.00 H new ATOM 0 HG LEU A 9 1.555 -7.254 0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.625 -8.254 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.731 -6.485 0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.354 -7.537 -0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.965 -9.541 -0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.291 -8.883 -1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.032 -8.730 -1.422 1.00 0.00 H new ATOM 150 N GLU A 10 1.301 -5.172 -4.167 1.00 0.00 N ATOM 151 CA GLU A 10 1.130 -4.182 -5.202 1.00 0.00 C ATOM 152 C GLU A 10 -0.257 -3.592 -5.126 1.00 0.00 C ATOM 153 O GLU A 10 -1.253 -4.281 -5.260 1.00 0.00 O ATOM 154 CB GLU A 10 1.344 -4.822 -6.572 1.00 0.00 C ATOM 155 CG GLU A 10 2.798 -5.006 -6.962 1.00 0.00 C ATOM 156 CD GLU A 10 3.441 -3.688 -7.317 1.00 0.00 C ATOM 157 OE1 GLU A 10 3.096 -3.145 -8.390 1.00 0.00 O ATOM 158 OE2 GLU A 10 4.266 -3.175 -6.544 1.00 0.00 O ATOM 0 H GLU A 10 0.781 -6.035 -4.327 1.00 0.00 H new ATOM 0 HA GLU A 10 1.863 -3.388 -5.059 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.852 -5.795 -6.585 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.854 -4.207 -7.327 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.342 -5.468 -6.138 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.866 -5.687 -7.811 1.00 0.00 H new ATOM 165 N GLY A 11 -0.328 -2.319 -4.950 1.00 0.00 N ATOM 166 CA GLY A 11 -1.601 -1.708 -4.830 1.00 0.00 C ATOM 167 C GLY A 11 -1.787 -0.609 -5.805 1.00 0.00 C ATOM 168 O GLY A 11 -0.842 -0.159 -6.439 1.00 0.00 O ATOM 0 H GLY A 11 0.471 -1.688 -4.887 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.378 -2.458 -4.978 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.722 -1.319 -3.819 1.00 0.00 H new ATOM 172 N THR A 12 -2.985 -0.189 -5.935 1.00 0.00 N ATOM 173 CA THR A 12 -3.328 0.900 -6.789 1.00 0.00 C ATOM 174 C THR A 12 -3.965 1.965 -5.923 1.00 0.00 C ATOM 175 O THR A 12 -4.876 1.676 -5.158 1.00 0.00 O ATOM 176 CB THR A 12 -4.317 0.430 -7.856 1.00 0.00 C ATOM 177 OG1 THR A 12 -3.780 -0.752 -8.471 1.00 0.00 O ATOM 178 CG2 THR A 12 -4.512 1.504 -8.917 1.00 0.00 C ATOM 0 H THR A 12 -3.780 -0.596 -5.443 1.00 0.00 H new ATOM 0 HA THR A 12 -2.445 1.292 -7.294 1.00 0.00 H new ATOM 0 HB THR A 12 -5.283 0.224 -7.394 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.400 -1.073 -9.159 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.219 1.150 -9.667 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.900 2.410 -8.451 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.556 1.722 -9.394 1.00 0.00 H new ATOM 186 N VAL A 13 -3.472 3.161 -5.998 1.00 0.00 N ATOM 187 CA VAL A 13 -3.978 4.213 -5.149 1.00 0.00 C ATOM 188 C VAL A 13 -5.141 4.928 -5.779 1.00 0.00 C ATOM 189 O VAL A 13 -5.082 5.298 -6.932 1.00 0.00 O ATOM 190 CB VAL A 13 -2.868 5.188 -4.661 1.00 0.00 C ATOM 191 CG1 VAL A 13 -2.032 5.687 -5.787 1.00 0.00 C ATOM 192 CG2 VAL A 13 -3.435 6.339 -3.839 1.00 0.00 C ATOM 0 H VAL A 13 -2.724 3.441 -6.632 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.355 3.728 -4.249 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.218 4.612 -4.002 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.270 6.364 -5.402 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.551 4.845 -6.284 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.662 6.218 -6.501 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.623 6.993 -3.520 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.141 6.906 -4.446 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.947 5.942 -2.962 1.00 0.00 H new ATOM 202 N LEU A 14 -6.205 5.074 -5.039 1.00 0.00 N ATOM 203 CA LEU A 14 -7.381 5.735 -5.552 1.00 0.00 C ATOM 204 C LEU A 14 -7.545 7.133 -5.002 1.00 0.00 C ATOM 205 O LEU A 14 -7.979 8.024 -5.714 1.00 0.00 O ATOM 206 CB LEU A 14 -8.677 4.916 -5.364 1.00 0.00 C ATOM 207 CG LEU A 14 -8.879 3.691 -6.286 1.00 0.00 C ATOM 208 CD1 LEU A 14 -7.922 2.556 -5.967 1.00 0.00 C ATOM 209 CD2 LEU A 14 -10.323 3.215 -6.239 1.00 0.00 C ATOM 0 H LEU A 14 -6.286 4.745 -4.077 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.212 5.816 -6.626 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.711 4.570 -4.331 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.524 5.587 -5.504 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.651 4.016 -7.301 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.108 1.722 -6.644 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.895 2.901 -6.089 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.075 2.229 -4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.443 2.353 -6.895 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.580 2.933 -5.218 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.982 4.018 -6.571 1.00 0.00 H new ATOM 221 N ASP A 15 -7.167 7.347 -3.758 1.00 0.00 N ATOM 222 CA ASP A 15 -7.428 8.640 -3.134 1.00 0.00 C ATOM 223 C ASP A 15 -6.186 9.156 -2.448 1.00 0.00 C ATOM 224 O ASP A 15 -5.334 8.373 -1.987 1.00 0.00 O ATOM 225 CB ASP A 15 -8.545 8.545 -2.086 1.00 0.00 C ATOM 226 CG ASP A 15 -9.854 7.941 -2.584 1.00 0.00 C ATOM 227 OD1 ASP A 15 -9.943 6.676 -2.658 1.00 0.00 O ATOM 228 OD2 ASP A 15 -10.788 8.691 -2.866 1.00 0.00 O ATOM 0 H ASP A 15 -6.690 6.666 -3.167 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.735 9.319 -3.929 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.185 7.949 -1.247 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.748 9.545 -1.703 1.00 0.00 H new ATOM 233 N THR A 16 -6.095 10.451 -2.344 1.00 0.00 N ATOM 234 CA THR A 16 -4.986 11.116 -1.713 1.00 0.00 C ATOM 235 C THR A 16 -5.386 11.528 -0.296 1.00 0.00 C ATOM 236 O THR A 16 -6.397 12.215 -0.115 1.00 0.00 O ATOM 237 CB THR A 16 -4.616 12.367 -2.532 1.00 0.00 C ATOM 238 OG1 THR A 16 -5.814 13.126 -2.783 1.00 0.00 O ATOM 239 CG2 THR A 16 -3.984 11.983 -3.861 1.00 0.00 C ATOM 0 H THR A 16 -6.804 11.090 -2.703 1.00 0.00 H new ATOM 0 HA THR A 16 -4.128 10.445 -1.666 1.00 0.00 H new ATOM 0 HB THR A 16 -3.896 12.957 -1.965 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.454 12.977 -2.056 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.733 12.885 -4.419 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.078 11.405 -3.679 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.688 11.384 -4.439 1.00 0.00 H new ATOM 247 N LEU A 17 -4.618 11.125 0.692 1.00 0.00 N ATOM 248 CA LEU A 17 -4.960 11.410 2.070 1.00 0.00 C ATOM 249 C LEU A 17 -3.991 12.443 2.678 1.00 0.00 C ATOM 250 O LEU A 17 -2.840 12.564 2.247 1.00 0.00 O ATOM 251 CB LEU A 17 -4.958 10.124 2.924 1.00 0.00 C ATOM 252 CG LEU A 17 -5.901 8.974 2.521 1.00 0.00 C ATOM 253 CD1 LEU A 17 -5.856 7.885 3.574 1.00 0.00 C ATOM 254 CD2 LEU A 17 -7.327 9.466 2.312 1.00 0.00 C ATOM 0 H LEU A 17 -3.753 10.599 0.568 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.967 11.828 2.075 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.941 9.732 2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.198 10.406 3.949 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.559 8.567 1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.524 7.073 3.286 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.838 7.504 3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.173 8.293 4.533 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.963 8.628 2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.699 9.908 3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.341 10.216 1.521 1.00 0.00 H new ATOM 266 N PRO A 18 -4.463 13.242 3.642 1.00 0.00 N ATOM 267 CA PRO A 18 -3.625 14.209 4.354 1.00 0.00 C ATOM 268 C PRO A 18 -2.526 13.527 5.201 1.00 0.00 C ATOM 269 O PRO A 18 -2.655 12.354 5.583 1.00 0.00 O ATOM 270 CB PRO A 18 -4.613 14.950 5.268 1.00 0.00 C ATOM 271 CG PRO A 18 -5.767 14.023 5.414 1.00 0.00 C ATOM 272 CD PRO A 18 -5.866 13.290 4.111 1.00 0.00 C ATOM 0 HA PRO A 18 -3.093 14.862 3.662 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.163 15.177 6.235 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.921 15.899 4.830 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.611 13.331 6.242 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.685 14.571 5.626 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.281 12.291 4.242 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.509 13.812 3.403 1.00 0.00 H new ATOM 280 N ASN A 19 -1.425 14.259 5.422 1.00 0.00 N ATOM 281 CA ASN A 19 -0.306 13.826 6.298 1.00 0.00 C ATOM 282 C ASN A 19 0.545 12.733 5.673 1.00 0.00 C ATOM 283 O ASN A 19 1.109 11.878 6.387 1.00 0.00 O ATOM 284 CB ASN A 19 -0.793 13.406 7.715 1.00 0.00 C ATOM 285 CG ASN A 19 -1.334 14.566 8.543 1.00 0.00 C ATOM 286 OD1 ASN A 19 -1.858 15.537 8.016 1.00 0.00 O ATOM 287 ND2 ASN A 19 -1.217 14.466 9.846 1.00 0.00 N ATOM 0 H ASN A 19 -1.276 15.175 4.999 1.00 0.00 H new ATOM 0 HA ASN A 19 0.331 14.703 6.412 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.571 12.649 7.613 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.035 12.942 8.252 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.568 15.211 10.448 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.775 13.644 10.257 1.00 0.00 H new ATOM 294 N ALA A 20 0.673 12.788 4.337 1.00 0.00 N ATOM 295 CA ALA A 20 1.517 11.863 3.558 1.00 0.00 C ATOM 296 C ALA A 20 0.968 10.441 3.641 1.00 0.00 C ATOM 297 O ALA A 20 1.716 9.441 3.599 1.00 0.00 O ATOM 298 CB ALA A 20 2.981 11.937 4.024 1.00 0.00 C ATOM 0 H ALA A 20 0.191 13.479 3.762 1.00 0.00 H new ATOM 0 HA ALA A 20 1.494 12.166 2.511 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.585 11.247 3.436 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.355 12.952 3.889 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.042 11.665 5.078 1.00 0.00 H new ATOM 304 N MET A 21 -0.333 10.355 3.758 1.00 0.00 N ATOM 305 CA MET A 21 -1.026 9.099 3.791 1.00 0.00 C ATOM 306 C MET A 21 -1.724 8.950 2.460 1.00 0.00 C ATOM 307 O MET A 21 -2.004 9.937 1.801 1.00 0.00 O ATOM 308 CB MET A 21 -2.084 9.089 4.898 1.00 0.00 C ATOM 309 CG MET A 21 -2.027 7.894 5.830 1.00 0.00 C ATOM 310 SD MET A 21 -0.561 7.888 6.907 1.00 0.00 S ATOM 311 CE MET A 21 -0.838 9.405 7.847 1.00 0.00 C ATOM 0 H MET A 21 -0.945 11.167 3.834 1.00 0.00 H new ATOM 0 HA MET A 21 -0.322 8.289 3.982 1.00 0.00 H new ATOM 0 HB2 MET A 21 -1.977 9.998 5.490 1.00 0.00 H new ATOM 0 HB3 MET A 21 -3.071 9.124 4.437 1.00 0.00 H new ATOM 0 HG2 MET A 21 -2.924 7.882 6.449 1.00 0.00 H new ATOM 0 HG3 MET A 21 -2.037 6.979 5.237 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.253 9.375 8.767 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.532 10.264 7.250 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.896 9.493 8.093 1.00 0.00 H new ATOM 321 N PHE A 22 -1.981 7.760 2.055 1.00 0.00 N ATOM 322 CA PHE A 22 -2.697 7.520 0.825 1.00 0.00 C ATOM 323 C PHE A 22 -3.639 6.371 1.006 1.00 0.00 C ATOM 324 O PHE A 22 -3.374 5.463 1.814 1.00 0.00 O ATOM 325 CB PHE A 22 -1.745 7.262 -0.368 1.00 0.00 C ATOM 326 CG PHE A 22 -0.992 8.485 -0.836 1.00 0.00 C ATOM 327 CD1 PHE A 22 0.234 8.819 -0.291 1.00 0.00 C ATOM 328 CD2 PHE A 22 -1.525 9.306 -1.817 1.00 0.00 C ATOM 329 CE1 PHE A 22 0.915 9.945 -0.711 1.00 0.00 C ATOM 330 CE2 PHE A 22 -0.847 10.433 -2.239 1.00 0.00 C ATOM 331 CZ PHE A 22 0.374 10.751 -1.686 1.00 0.00 C ATOM 0 H PHE A 22 -1.707 6.915 2.556 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.262 8.421 0.587 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.026 6.493 -0.085 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.325 6.865 -1.201 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.665 8.191 0.474 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.481 9.062 -2.256 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.871 10.192 -0.274 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.274 11.065 -3.003 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.905 11.631 -2.017 1.00 0.00 H new ATOM 341 N LYS A 23 -4.742 6.420 0.304 1.00 0.00 N ATOM 342 CA LYS A 23 -5.698 5.355 0.337 1.00 0.00 C ATOM 343 C LYS A 23 -5.472 4.521 -0.876 1.00 0.00 C ATOM 344 O LYS A 23 -5.753 4.940 -2.021 1.00 0.00 O ATOM 345 CB LYS A 23 -7.133 5.863 0.387 1.00 0.00 C ATOM 346 CG LYS A 23 -8.163 4.762 0.191 1.00 0.00 C ATOM 347 CD LYS A 23 -9.576 5.295 0.173 1.00 0.00 C ATOM 348 CE LYS A 23 -10.501 4.325 -0.547 1.00 0.00 C ATOM 349 NZ LYS A 23 -10.078 4.147 -1.950 1.00 0.00 N ATOM 0 H LYS A 23 -4.998 7.199 -0.303 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.559 4.770 1.246 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.307 6.348 1.347 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.270 6.622 -0.383 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.961 4.242 -0.745 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.064 4.028 0.991 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.925 5.451 1.194 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.599 6.265 -0.323 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.497 3.363 -0.035 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.525 4.698 -0.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.760 3.536 -2.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.040 5.073 -2.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.136 3.707 -1.975 1.00 0.00 H new ATOM 363 N VAL A 24 -4.918 3.399 -0.650 1.00 0.00 N ATOM 364 CA VAL A 24 -4.543 2.528 -1.722 1.00 0.00 C ATOM 365 C VAL A 24 -5.352 1.239 -1.628 1.00 0.00 C ATOM 366 O VAL A 24 -5.739 0.840 -0.546 1.00 0.00 O ATOM 367 CB VAL A 24 -2.994 2.238 -1.677 1.00 0.00 C ATOM 368 CG1 VAL A 24 -2.497 1.454 -2.864 1.00 0.00 C ATOM 369 CG2 VAL A 24 -2.181 3.516 -1.483 1.00 0.00 C ATOM 0 H VAL A 24 -4.704 3.043 0.282 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.759 3.007 -2.677 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.842 1.604 -0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.424 1.290 -2.768 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.009 0.492 -2.905 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.699 2.012 -3.779 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.119 3.271 -1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.376 4.200 -2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.467 3.990 -0.544 1.00 0.00 H new ATOM 379 N GLU A 25 -5.667 0.648 -2.744 1.00 0.00 N ATOM 380 CA GLU A 25 -6.318 -0.629 -2.749 1.00 0.00 C ATOM 381 C GLU A 25 -5.373 -1.712 -3.232 1.00 0.00 C ATOM 382 O GLU A 25 -4.663 -1.536 -4.225 1.00 0.00 O ATOM 383 CB GLU A 25 -7.640 -0.658 -3.545 1.00 0.00 C ATOM 384 CG GLU A 25 -8.886 -0.198 -2.768 1.00 0.00 C ATOM 385 CD GLU A 25 -9.087 1.317 -2.643 1.00 0.00 C ATOM 386 OE1 GLU A 25 -8.343 2.009 -1.911 1.00 0.00 O ATOM 387 OE2 GLU A 25 -10.051 1.842 -3.241 1.00 0.00 O ATOM 0 H GLU A 25 -5.481 1.034 -3.670 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.593 -0.826 -1.713 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.528 -0.026 -4.426 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.809 -1.675 -3.901 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.766 -0.621 -3.251 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.839 -0.621 -1.765 1.00 0.00 H new ATOM 394 N LEU A 26 -5.334 -2.797 -2.488 1.00 0.00 N ATOM 395 CA LEU A 26 -4.506 -3.981 -2.808 1.00 0.00 C ATOM 396 C LEU A 26 -5.034 -4.743 -4.023 1.00 0.00 C ATOM 397 O LEU A 26 -6.117 -4.444 -4.537 1.00 0.00 O ATOM 398 CB LEU A 26 -4.485 -4.953 -1.623 1.00 0.00 C ATOM 399 CG LEU A 26 -3.729 -4.521 -0.383 1.00 0.00 C ATOM 400 CD1 LEU A 26 -3.897 -5.563 0.712 1.00 0.00 C ATOM 401 CD2 LEU A 26 -2.258 -4.335 -0.708 1.00 0.00 C ATOM 0 H LEU A 26 -5.876 -2.901 -1.630 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.505 -3.608 -3.026 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.516 -5.156 -1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.058 -5.895 -1.967 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.132 -3.571 -0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.351 -5.247 1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.955 -5.669 0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.506 -6.520 0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.723 -4.025 0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.844 -5.276 -1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.149 -3.571 -1.478 1.00 0.00 H new ATOM 413 N GLU A 27 -4.303 -5.793 -4.402 1.00 0.00 N ATOM 414 CA GLU A 27 -4.640 -6.673 -5.523 1.00 0.00 C ATOM 415 C GLU A 27 -5.949 -7.386 -5.215 1.00 0.00 C ATOM 416 O GLU A 27 -6.711 -7.753 -6.101 1.00 0.00 O ATOM 417 CB GLU A 27 -3.549 -7.768 -5.739 1.00 0.00 C ATOM 418 CG GLU A 27 -2.088 -7.293 -5.749 1.00 0.00 C ATOM 419 CD GLU A 27 -1.455 -7.191 -4.351 1.00 0.00 C ATOM 420 OE1 GLU A 27 -2.177 -6.863 -3.374 1.00 0.00 O ATOM 421 OE2 GLU A 27 -0.241 -7.466 -4.226 1.00 0.00 O ATOM 0 H GLU A 27 -3.441 -6.061 -3.928 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.715 -6.058 -6.420 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.658 -8.517 -4.954 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.751 -8.268 -6.687 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.497 -7.980 -6.355 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.037 -6.317 -6.232 1.00 0.00 H new ATOM 428 N ASN A 28 -6.194 -7.558 -3.927 1.00 0.00 N ATOM 429 CA ASN A 28 -7.381 -8.238 -3.419 1.00 0.00 C ATOM 430 C ASN A 28 -8.601 -7.289 -3.498 1.00 0.00 C ATOM 431 O ASN A 28 -9.732 -7.695 -3.256 1.00 0.00 O ATOM 432 CB ASN A 28 -7.114 -8.648 -1.941 1.00 0.00 C ATOM 433 CG ASN A 28 -8.050 -9.729 -1.332 1.00 0.00 C ATOM 434 OD1 ASN A 28 -7.633 -10.467 -0.461 1.00 0.00 O ATOM 435 ND2 ASN A 28 -9.287 -9.815 -1.747 1.00 0.00 N ATOM 0 H ASN A 28 -5.568 -7.226 -3.193 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.595 -9.124 -4.017 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -6.088 -9.008 -1.869 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -7.182 -7.753 -1.323 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.915 -10.508 -1.339 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.624 -9.189 -2.479 1.00 0.00 H new ATOM 442 N GLY A 29 -8.368 -6.030 -3.844 1.00 0.00 N ATOM 443 CA GLY A 29 -9.466 -5.083 -3.922 1.00 0.00 C ATOM 444 C GLY A 29 -9.819 -4.507 -2.568 1.00 0.00 C ATOM 445 O GLY A 29 -10.859 -3.901 -2.400 1.00 0.00 O ATOM 0 H GLY A 29 -7.449 -5.649 -4.070 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.198 -4.274 -4.601 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.341 -5.577 -4.344 1.00 0.00 H new ATOM 449 N HIS A 30 -8.972 -4.751 -1.587 1.00 0.00 N ATOM 450 CA HIS A 30 -9.213 -4.268 -0.254 1.00 0.00 C ATOM 451 C HIS A 30 -8.511 -2.950 -0.105 1.00 0.00 C ATOM 452 O HIS A 30 -7.495 -2.718 -0.756 1.00 0.00 O ATOM 453 CB HIS A 30 -8.658 -5.247 0.773 1.00 0.00 C ATOM 454 CG HIS A 30 -9.277 -5.115 2.143 1.00 0.00 C ATOM 455 ND1 HIS A 30 -10.538 -5.570 2.445 1.00 0.00 N ATOM 456 CD2 HIS A 30 -8.818 -4.524 3.268 1.00 0.00 C ATOM 457 CE1 HIS A 30 -10.824 -5.256 3.692 1.00 0.00 C ATOM 458 NE2 HIS A 30 -9.802 -4.615 4.214 1.00 0.00 N ATOM 0 H HIS A 30 -8.109 -5.284 -1.695 1.00 0.00 H new ATOM 0 HA HIS A 30 -10.285 -4.161 -0.089 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.813 -6.264 0.412 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.581 -5.099 0.856 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -7.850 -4.063 3.397 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -11.747 -5.487 4.202 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -9.751 -4.247 5.164 1.00 0.00 H new ATOM 467 N GLU A 31 -8.965 -2.181 0.802 1.00 0.00 N ATOM 468 CA GLU A 31 -8.493 -0.876 1.031 1.00 0.00 C ATOM 469 C GLU A 31 -7.440 -0.923 2.107 1.00 0.00 C ATOM 470 O GLU A 31 -7.520 -1.716 3.062 1.00 0.00 O ATOM 471 CB GLU A 31 -9.679 0.013 1.485 1.00 0.00 C ATOM 472 CG GLU A 31 -10.244 -0.268 2.915 1.00 0.00 C ATOM 473 CD GLU A 31 -10.754 -1.688 3.186 1.00 0.00 C ATOM 474 OE1 GLU A 31 -11.172 -2.396 2.244 1.00 0.00 O ATOM 475 OE2 GLU A 31 -10.649 -2.153 4.346 1.00 0.00 O ATOM 0 H GLU A 31 -9.714 -2.458 1.437 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.060 -0.460 0.121 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.363 1.055 1.440 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.490 -0.105 0.767 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.462 -0.043 3.640 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.061 0.429 3.101 1.00 0.00 H new ATOM 482 N ILE A 32 -6.425 -0.172 1.909 1.00 0.00 N ATOM 483 CA ILE A 32 -5.358 -0.075 2.835 1.00 0.00 C ATOM 484 C ILE A 32 -4.973 1.370 2.986 1.00 0.00 C ATOM 485 O ILE A 32 -5.025 2.161 2.028 1.00 0.00 O ATOM 486 CB ILE A 32 -4.107 -0.900 2.395 1.00 0.00 C ATOM 487 CG1 ILE A 32 -3.675 -0.501 1.002 1.00 0.00 C ATOM 488 CG2 ILE A 32 -4.414 -2.373 2.424 1.00 0.00 C ATOM 489 CD1 ILE A 32 -2.334 -1.042 0.574 1.00 0.00 C ATOM 0 H ILE A 32 -6.307 0.408 1.078 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.703 -0.489 3.783 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.297 -0.690 3.093 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.430 -0.839 0.292 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.647 0.587 0.944 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.532 -2.935 2.115 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.695 -2.666 3.436 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.238 -2.587 1.743 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.111 -0.703 -0.437 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.563 -0.683 1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.358 -2.132 0.594 1.00 0.00 H new ATOM 501 N LEU A 33 -4.616 1.735 4.158 1.00 0.00 N ATOM 502 CA LEU A 33 -4.172 3.063 4.375 1.00 0.00 C ATOM 503 C LEU A 33 -2.692 2.997 4.456 1.00 0.00 C ATOM 504 O LEU A 33 -2.123 2.316 5.326 1.00 0.00 O ATOM 505 CB LEU A 33 -4.769 3.604 5.669 1.00 0.00 C ATOM 506 CG LEU A 33 -6.299 3.617 5.718 1.00 0.00 C ATOM 507 CD1 LEU A 33 -6.788 4.038 7.091 1.00 0.00 C ATOM 508 CD2 LEU A 33 -6.868 4.543 4.652 1.00 0.00 C ATOM 0 H LEU A 33 -4.621 1.136 4.984 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.484 3.732 3.574 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.399 3.005 6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.407 4.621 5.822 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.649 2.604 5.519 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.878 4.041 7.104 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.418 3.338 7.840 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.420 5.039 7.317 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.957 4.535 4.707 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.503 5.557 4.818 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.552 4.201 3.667 1.00 0.00 H new ATOM 520 N ALA A 34 -2.059 3.723 3.629 1.00 0.00 N ATOM 521 CA ALA A 34 -0.648 3.631 3.521 1.00 0.00 C ATOM 522 C ALA A 34 0.008 4.950 3.763 1.00 0.00 C ATOM 523 O ALA A 34 -0.636 5.984 3.704 1.00 0.00 O ATOM 524 CB ALA A 34 -0.285 3.080 2.176 1.00 0.00 C ATOM 0 H ALA A 34 -2.495 4.401 3.003 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.282 2.953 4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.799 3.009 2.092 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.724 2.089 2.058 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.666 3.740 1.397 1.00 0.00 H new ATOM 530 N HIS A 35 1.258 4.906 4.100 1.00 0.00 N ATOM 531 CA HIS A 35 2.036 6.095 4.329 1.00 0.00 C ATOM 532 C HIS A 35 3.236 6.048 3.417 1.00 0.00 C ATOM 533 O HIS A 35 3.816 4.989 3.225 1.00 0.00 O ATOM 534 CB HIS A 35 2.493 6.146 5.803 1.00 0.00 C ATOM 535 CG HIS A 35 3.183 7.425 6.219 1.00 0.00 C ATOM 536 ND1 HIS A 35 2.527 8.626 6.378 1.00 0.00 N ATOM 537 CD2 HIS A 35 4.476 7.670 6.528 1.00 0.00 C ATOM 538 CE1 HIS A 35 3.381 9.548 6.764 1.00 0.00 C ATOM 539 NE2 HIS A 35 4.573 8.997 6.864 1.00 0.00 N ATOM 0 H HIS A 35 1.778 4.038 4.227 1.00 0.00 H new ATOM 0 HA HIS A 35 1.441 6.985 4.123 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.623 5.997 6.442 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.169 5.311 5.986 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.531 8.777 6.220 1.00 0.00 H new ATOM 0 HD2 HIS A 35 5.284 6.953 6.513 1.00 0.00 H new ATOM 0 HE1 HIS A 35 3.145 10.583 6.965 1.00 0.00 H new ATOM 548 N VAL A 36 3.600 7.153 2.854 1.00 0.00 N ATOM 549 CA VAL A 36 4.778 7.199 2.013 1.00 0.00 C ATOM 550 C VAL A 36 6.026 7.362 2.853 1.00 0.00 C ATOM 551 O VAL A 36 5.983 7.953 3.942 1.00 0.00 O ATOM 552 CB VAL A 36 4.722 8.274 0.903 1.00 0.00 C ATOM 553 CG1 VAL A 36 3.683 7.904 -0.133 1.00 0.00 C ATOM 554 CG2 VAL A 36 4.443 9.656 1.477 1.00 0.00 C ATOM 0 H VAL A 36 3.108 8.041 2.953 1.00 0.00 H new ATOM 0 HA VAL A 36 4.809 6.241 1.494 1.00 0.00 H new ATOM 0 HB VAL A 36 5.699 8.311 0.422 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.654 8.669 -0.909 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.941 6.944 -0.580 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.705 7.832 0.342 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.411 10.386 0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.485 9.647 1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.233 9.925 2.178 1.00 0.00 H new ATOM 564 N SER A 37 7.113 6.784 2.388 1.00 0.00 N ATOM 565 CA SER A 37 8.373 6.812 3.102 1.00 0.00 C ATOM 566 C SER A 37 8.875 8.246 3.234 1.00 0.00 C ATOM 567 O SER A 37 8.479 9.127 2.448 1.00 0.00 O ATOM 568 CB SER A 37 9.413 6.033 2.315 1.00 0.00 C ATOM 569 OG SER A 37 9.705 6.722 1.100 1.00 0.00 O ATOM 0 H SER A 37 7.149 6.280 1.502 1.00 0.00 H new ATOM 0 HA SER A 37 8.219 6.376 4.089 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.321 5.917 2.907 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.044 5.031 2.097 1.00 0.00 H new ATOM 0 HG SER A 37 9.960 6.075 0.410 1.00 0.00 H new ATOM 575 N GLY A 38 9.772 8.454 4.187 1.00 0.00 N ATOM 576 CA GLY A 38 10.345 9.757 4.447 1.00 0.00 C ATOM 577 C GLY A 38 10.964 10.422 3.225 1.00 0.00 C ATOM 578 O GLY A 38 11.026 11.641 3.171 1.00 0.00 O ATOM 0 H GLY A 38 10.121 7.718 4.801 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.569 10.409 4.848 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.108 9.658 5.219 1.00 0.00 H new ATOM 582 N LYS A 39 11.343 9.634 2.201 1.00 0.00 N ATOM 583 CA LYS A 39 11.981 10.228 1.031 1.00 0.00 C ATOM 584 C LYS A 39 10.959 10.955 0.170 1.00 0.00 C ATOM 585 O LYS A 39 11.280 11.900 -0.505 1.00 0.00 O ATOM 586 CB LYS A 39 12.832 9.217 0.224 1.00 0.00 C ATOM 587 CG LYS A 39 12.086 8.018 -0.329 1.00 0.00 C ATOM 588 CD LYS A 39 13.036 7.060 -1.039 1.00 0.00 C ATOM 589 CE LYS A 39 12.318 5.804 -1.521 1.00 0.00 C ATOM 590 NZ LYS A 39 11.265 6.101 -2.524 1.00 0.00 N ATOM 0 H LYS A 39 11.221 8.622 2.166 1.00 0.00 H new ATOM 0 HA LYS A 39 12.693 10.969 1.394 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.298 9.746 -0.607 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.637 8.856 0.864 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.578 7.496 0.482 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.316 8.354 -1.024 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.494 7.566 -1.889 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.843 6.780 -0.362 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.045 5.118 -1.955 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.869 5.296 -0.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.913 5.211 -2.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.480 6.606 -2.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.663 6.694 -3.280 1.00 0.00 H new ATOM 604 N ILE A 40 9.717 10.503 0.235 1.00 0.00 N ATOM 605 CA ILE A 40 8.628 11.107 -0.528 1.00 0.00 C ATOM 606 C ILE A 40 8.014 12.254 0.306 1.00 0.00 C ATOM 607 O ILE A 40 7.316 13.129 -0.196 1.00 0.00 O ATOM 608 CB ILE A 40 7.553 10.030 -0.887 1.00 0.00 C ATOM 609 CG1 ILE A 40 8.211 8.883 -1.683 1.00 0.00 C ATOM 610 CG2 ILE A 40 6.389 10.638 -1.683 1.00 0.00 C ATOM 611 CD1 ILE A 40 7.284 7.728 -2.018 1.00 0.00 C ATOM 0 H ILE A 40 9.433 9.712 0.813 1.00 0.00 H new ATOM 0 HA ILE A 40 9.010 11.512 -1.465 1.00 0.00 H new ATOM 0 HB ILE A 40 7.142 9.635 0.042 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.614 9.288 -2.611 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.055 8.499 -1.110 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.661 9.860 -1.915 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.911 11.417 -1.090 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.768 11.068 -2.610 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.834 6.971 -2.577 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.900 7.291 -1.096 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.452 8.092 -2.621 1.00 0.00 H new ATOM 623 N ARG A 41 8.315 12.240 1.586 1.00 0.00 N ATOM 624 CA ARG A 41 7.854 13.270 2.486 1.00 0.00 C ATOM 625 C ARG A 41 8.806 14.468 2.327 1.00 0.00 C ATOM 626 O ARG A 41 8.383 15.619 2.397 1.00 0.00 O ATOM 627 CB ARG A 41 7.878 12.711 3.929 1.00 0.00 C ATOM 628 CG ARG A 41 6.951 13.368 4.997 1.00 0.00 C ATOM 629 CD ARG A 41 7.368 14.766 5.499 1.00 0.00 C ATOM 630 NE ARG A 41 6.941 15.887 4.634 1.00 0.00 N ATOM 631 CZ ARG A 41 6.197 16.946 5.050 1.00 0.00 C ATOM 632 NH1 ARG A 41 5.698 16.972 6.298 1.00 0.00 N ATOM 633 NH2 ARG A 41 5.958 17.972 4.230 1.00 0.00 N ATOM 0 H ARG A 41 8.883 11.518 2.029 1.00 0.00 H new ATOM 0 HA ARG A 41 6.834 13.587 2.266 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.626 11.652 3.878 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.903 12.778 4.293 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.947 13.440 4.580 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.892 12.700 5.856 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.955 14.917 6.496 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.453 14.793 5.596 1.00 0.00 H new ATOM 0 HE ARG A 41 7.225 15.864 3.655 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.877 16.196 6.935 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.140 17.768 6.608 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.335 17.966 3.282 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.399 18.762 4.551 1.00 0.00 H new ATOM 647 N MET A 42 10.098 14.184 2.185 1.00 0.00 N ATOM 648 CA MET A 42 11.089 15.233 1.928 1.00 0.00 C ATOM 649 C MET A 42 11.042 15.693 0.469 1.00 0.00 C ATOM 650 O MET A 42 10.964 16.887 0.188 1.00 0.00 O ATOM 651 CB MET A 42 12.501 14.756 2.288 1.00 0.00 C ATOM 652 CG MET A 42 12.692 14.462 3.766 1.00 0.00 C ATOM 653 SD MET A 42 14.337 13.835 4.153 1.00 0.00 S ATOM 654 CE MET A 42 14.213 13.634 5.928 1.00 0.00 C ATOM 0 H MET A 42 10.485 13.242 2.243 1.00 0.00 H new ATOM 0 HA MET A 42 10.839 16.083 2.563 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.727 13.856 1.716 1.00 0.00 H new ATOM 0 HB3 MET A 42 13.220 15.516 1.983 1.00 0.00 H new ATOM 0 HG2 MET A 42 12.512 15.372 4.338 1.00 0.00 H new ATOM 0 HG3 MET A 42 11.947 13.733 4.085 1.00 0.00 H new ATOM 0 HE1 MET A 42 15.156 13.251 6.318 1.00 0.00 H new ATOM 0 HE2 MET A 42 13.994 14.597 6.389 1.00 0.00 H new ATOM 0 HE3 MET A 42 13.413 12.931 6.160 1.00 0.00 H new ATOM 664 N ASN A 43 11.018 14.737 -0.447 1.00 0.00 N ATOM 665 CA ASN A 43 10.963 15.037 -1.868 1.00 0.00 C ATOM 666 C ASN A 43 9.645 14.605 -2.390 1.00 0.00 C ATOM 667 O ASN A 43 9.331 13.416 -2.414 1.00 0.00 O ATOM 668 CB ASN A 43 12.070 14.353 -2.682 1.00 0.00 C ATOM 669 CG ASN A 43 13.486 14.851 -2.393 1.00 0.00 C ATOM 670 OD1 ASN A 43 13.813 15.269 -1.297 1.00 0.00 O ATOM 671 ND2 ASN A 43 14.339 14.806 -3.392 1.00 0.00 N ATOM 0 H ASN A 43 11.036 13.741 -0.229 1.00 0.00 H new ATOM 0 HA ASN A 43 11.111 16.111 -1.976 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.032 13.281 -2.490 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.861 14.494 -3.742 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.298 15.125 -3.258 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.042 14.452 -4.301 1.00 0.00 H new ATOM 678 N TYR A 44 8.891 15.549 -2.830 1.00 0.00 N ATOM 679 CA TYR A 44 7.534 15.319 -3.218 1.00 0.00 C ATOM 680 C TYR A 44 7.406 14.666 -4.572 1.00 0.00 C ATOM 681 O TYR A 44 7.383 15.332 -5.619 1.00 0.00 O ATOM 682 CB TYR A 44 6.753 16.615 -3.131 1.00 0.00 C ATOM 683 CG TYR A 44 6.881 17.215 -1.761 1.00 0.00 C ATOM 684 CD1 TYR A 44 6.312 16.590 -0.667 1.00 0.00 C ATOM 685 CD2 TYR A 44 7.631 18.366 -1.550 1.00 0.00 C ATOM 686 CE1 TYR A 44 6.489 17.083 0.595 1.00 0.00 C ATOM 687 CE2 TYR A 44 7.799 18.876 -0.284 1.00 0.00 C ATOM 688 CZ TYR A 44 7.232 18.222 0.784 1.00 0.00 C ATOM 689 OH TYR A 44 7.429 18.692 2.057 1.00 0.00 O ATOM 0 H TYR A 44 9.197 16.516 -2.934 1.00 0.00 H new ATOM 0 HA TYR A 44 7.105 14.602 -2.518 1.00 0.00 H new ATOM 0 HB2 TYR A 44 7.120 17.319 -3.878 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.703 16.429 -3.357 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.719 15.699 -0.812 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.088 18.866 -2.391 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.046 16.578 1.441 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.370 19.780 -0.131 1.00 0.00 H new ATOM 0 HH TYR A 44 7.976 19.505 2.025 1.00 0.00 H new ATOM 699 N ILE A 45 7.368 13.364 -4.547 1.00 0.00 N ATOM 700 CA ILE A 45 7.155 12.593 -5.647 1.00 0.00 C ATOM 701 C ILE A 45 5.644 12.526 -5.815 1.00 0.00 C ATOM 702 O ILE A 45 4.930 12.024 -4.949 1.00 0.00 O ATOM 703 CB ILE A 45 7.788 11.212 -5.385 1.00 0.00 C ATOM 704 CG1 ILE A 45 9.331 11.247 -5.479 1.00 0.00 C ATOM 705 CG2 ILE A 45 7.182 10.157 -6.207 1.00 0.00 C ATOM 706 CD1 ILE A 45 9.878 11.692 -6.828 1.00 0.00 C ATOM 0 H ILE A 45 7.497 12.823 -3.692 1.00 0.00 H new ATOM 0 HA ILE A 45 7.603 12.985 -6.560 1.00 0.00 H new ATOM 0 HB ILE A 45 7.560 10.951 -4.352 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.713 11.917 -4.709 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.717 10.252 -5.256 1.00 0.00 H new ATOM 0 HG21 ILE A 45 7.661 9.203 -5.986 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.117 10.088 -5.984 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.317 10.395 -7.262 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.968 11.685 -6.799 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.532 11.010 -7.604 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.527 12.700 -7.048 1.00 0.00 H new ATOM 718 N ARG A 46 5.172 13.086 -6.900 1.00 0.00 N ATOM 719 CA ARG A 46 3.749 13.229 -7.138 1.00 0.00 C ATOM 720 C ARG A 46 3.067 11.888 -7.367 1.00 0.00 C ATOM 721 O ARG A 46 3.182 11.289 -8.445 1.00 0.00 O ATOM 722 CB ARG A 46 3.487 14.173 -8.320 1.00 0.00 C ATOM 723 CG ARG A 46 4.032 15.586 -8.128 1.00 0.00 C ATOM 724 CD ARG A 46 3.748 16.461 -9.343 1.00 0.00 C ATOM 725 NE ARG A 46 4.289 17.831 -9.189 1.00 0.00 N ATOM 726 CZ ARG A 46 4.171 18.822 -10.103 1.00 0.00 C ATOM 727 NH1 ARG A 46 3.522 18.601 -11.257 1.00 0.00 N ATOM 728 NH2 ARG A 46 4.704 20.028 -9.858 1.00 0.00 N ATOM 0 H ARG A 46 5.760 13.457 -7.646 1.00 0.00 H new ATOM 0 HA ARG A 46 3.317 13.664 -6.237 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.931 13.744 -9.218 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.412 14.231 -8.492 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.582 16.034 -7.242 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.107 15.542 -7.952 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.182 15.999 -10.230 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.672 16.514 -9.506 1.00 0.00 H new ATOM 0 HE ARG A 46 4.790 18.044 -8.326 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.116 17.685 -11.447 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.434 19.350 -11.944 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.199 20.199 -8.982 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.615 20.775 -10.547 1.00 0.00 H new ATOM 742 N ILE A 47 2.436 11.394 -6.332 1.00 0.00 N ATOM 743 CA ILE A 47 1.641 10.191 -6.403 1.00 0.00 C ATOM 744 C ILE A 47 0.267 10.596 -6.899 1.00 0.00 C ATOM 745 O ILE A 47 -0.303 11.572 -6.420 1.00 0.00 O ATOM 746 CB ILE A 47 1.503 9.494 -5.016 1.00 0.00 C ATOM 747 CG1 ILE A 47 2.886 9.113 -4.433 1.00 0.00 C ATOM 748 CG2 ILE A 47 0.594 8.265 -5.110 1.00 0.00 C ATOM 749 CD1 ILE A 47 3.684 8.125 -5.272 1.00 0.00 C ATOM 0 H ILE A 47 2.459 11.819 -5.405 1.00 0.00 H new ATOM 0 HA ILE A 47 2.126 9.479 -7.071 1.00 0.00 H new ATOM 0 HB ILE A 47 1.042 10.208 -4.333 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.475 10.022 -4.310 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.741 8.690 -3.439 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.514 7.796 -4.129 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.396 8.570 -5.449 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.017 7.553 -5.819 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.637 7.919 -4.784 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.121 7.197 -5.375 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.867 8.550 -6.259 1.00 0.00 H new ATOM 761 N LEU A 48 -0.236 9.881 -7.854 1.00 0.00 N ATOM 762 CA LEU A 48 -1.481 10.226 -8.462 1.00 0.00 C ATOM 763 C LEU A 48 -2.428 9.041 -8.376 1.00 0.00 C ATOM 764 O LEU A 48 -1.995 7.902 -8.583 1.00 0.00 O ATOM 765 CB LEU A 48 -1.236 10.578 -9.935 1.00 0.00 C ATOM 766 CG LEU A 48 -2.450 11.049 -10.728 1.00 0.00 C ATOM 767 CD1 LEU A 48 -2.881 12.447 -10.297 1.00 0.00 C ATOM 768 CD2 LEU A 48 -2.182 10.992 -12.222 1.00 0.00 C ATOM 0 H LEU A 48 0.204 9.043 -8.234 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.921 11.080 -7.947 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.475 11.358 -9.978 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.822 9.701 -10.432 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.274 10.368 -10.512 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.749 12.756 -10.880 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.140 12.438 -9.238 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.063 13.148 -10.465 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.064 11.333 -12.763 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.336 11.635 -12.465 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.953 9.966 -12.512 1.00 0.00 H new ATOM 780 N PRO A 49 -3.696 9.272 -7.972 1.00 0.00 N ATOM 781 CA PRO A 49 -4.743 8.254 -8.030 1.00 0.00 C ATOM 782 C PRO A 49 -4.784 7.564 -9.398 1.00 0.00 C ATOM 783 O PRO A 49 -4.775 8.219 -10.445 1.00 0.00 O ATOM 784 CB PRO A 49 -6.011 9.069 -7.821 1.00 0.00 C ATOM 785 CG PRO A 49 -5.589 10.147 -6.900 1.00 0.00 C ATOM 786 CD PRO A 49 -4.200 10.521 -7.349 1.00 0.00 C ATOM 0 HA PRO A 49 -4.597 7.457 -7.301 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.388 9.471 -8.761 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.809 8.464 -7.390 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.265 11.000 -6.955 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.591 9.805 -5.865 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.216 11.347 -8.060 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.576 10.833 -6.511 1.00 0.00 H new ATOM 794 N GLY A 50 -4.816 6.263 -9.367 1.00 0.00 N ATOM 795 CA GLY A 50 -4.811 5.471 -10.554 1.00 0.00 C ATOM 796 C GLY A 50 -3.479 4.796 -10.761 1.00 0.00 C ATOM 797 O GLY A 50 -3.375 3.843 -11.529 1.00 0.00 O ATOM 0 H GLY A 50 -4.847 5.720 -8.504 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.597 4.718 -10.494 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.039 6.101 -11.414 1.00 0.00 H new ATOM 801 N ASP A 51 -2.451 5.289 -10.083 1.00 0.00 N ATOM 802 CA ASP A 51 -1.129 4.711 -10.233 1.00 0.00 C ATOM 803 C ASP A 51 -0.961 3.529 -9.297 1.00 0.00 C ATOM 804 O ASP A 51 -1.677 3.401 -8.279 1.00 0.00 O ATOM 805 CB ASP A 51 0.003 5.716 -10.010 1.00 0.00 C ATOM 806 CG ASP A 51 1.210 5.431 -10.900 1.00 0.00 C ATOM 807 OD1 ASP A 51 1.577 4.259 -11.117 1.00 0.00 O ATOM 808 OD2 ASP A 51 1.820 6.391 -11.443 1.00 0.00 O ATOM 0 H ASP A 51 -2.507 6.075 -9.435 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.056 4.381 -11.269 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.363 6.723 -10.209 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.310 5.689 -8.964 1.00 0.00 H new ATOM 813 N LYS A 52 -0.027 2.699 -9.616 1.00 0.00 N ATOM 814 CA LYS A 52 0.270 1.531 -8.847 1.00 0.00 C ATOM 815 C LYS A 52 1.499 1.780 -8.010 1.00 0.00 C ATOM 816 O LYS A 52 2.446 2.443 -8.451 1.00 0.00 O ATOM 817 CB LYS A 52 0.499 0.321 -9.732 1.00 0.00 C ATOM 818 CG LYS A 52 -0.730 -0.264 -10.389 1.00 0.00 C ATOM 819 CD LYS A 52 -0.400 -1.495 -11.266 1.00 0.00 C ATOM 820 CE LYS A 52 0.403 -2.586 -10.514 1.00 0.00 C ATOM 821 NZ LYS A 52 1.866 -2.323 -10.497 1.00 0.00 N ATOM 0 H LYS A 52 0.567 2.813 -10.437 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.587 1.323 -8.207 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.207 0.596 -10.513 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.972 -0.458 -9.133 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.448 -0.551 -9.621 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.208 0.499 -11.003 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.329 -1.928 -11.636 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.169 -1.170 -12.137 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.040 -2.654 -9.489 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.219 -3.553 -10.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.264 -2.633 -9.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.322 -2.847 -11.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.037 -1.305 -10.621 1.00 0.00 H new ATOM 835 N VAL A 53 1.486 1.263 -6.819 1.00 0.00 N ATOM 836 CA VAL A 53 2.570 1.437 -5.896 1.00 0.00 C ATOM 837 C VAL A 53 2.872 0.153 -5.160 1.00 0.00 C ATOM 838 O VAL A 53 1.987 -0.698 -4.976 1.00 0.00 O ATOM 839 CB VAL A 53 2.310 2.567 -4.864 1.00 0.00 C ATOM 840 CG1 VAL A 53 2.346 3.939 -5.524 1.00 0.00 C ATOM 841 CG2 VAL A 53 0.971 2.355 -4.162 1.00 0.00 C ATOM 0 H VAL A 53 0.715 0.702 -6.455 1.00 0.00 H new ATOM 0 HA VAL A 53 3.430 1.726 -6.500 1.00 0.00 H new ATOM 0 HB VAL A 53 3.107 2.527 -4.122 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.160 4.708 -4.774 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.325 4.100 -5.975 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.578 3.992 -6.296 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.806 3.157 -3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.169 2.359 -4.900 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.981 1.397 -3.642 1.00 0.00 H new ATOM 851 N THR A 54 4.092 0.039 -4.729 1.00 0.00 N ATOM 852 CA THR A 54 4.552 -1.101 -4.005 1.00 0.00 C ATOM 853 C THR A 54 4.469 -0.786 -2.510 1.00 0.00 C ATOM 854 O THR A 54 5.095 0.203 -2.010 1.00 0.00 O ATOM 855 CB THR A 54 6.003 -1.405 -4.402 1.00 0.00 C ATOM 856 OG1 THR A 54 6.093 -1.424 -5.838 1.00 0.00 O ATOM 857 CG2 THR A 54 6.447 -2.758 -3.852 1.00 0.00 C ATOM 0 H THR A 54 4.807 0.751 -4.875 1.00 0.00 H new ATOM 0 HA THR A 54 3.938 -1.972 -4.233 1.00 0.00 H new ATOM 0 HB THR A 54 6.653 -0.635 -3.986 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.612 -2.204 -6.186 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.479 -2.950 -4.147 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.376 -2.750 -2.764 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.804 -3.542 -4.251 1.00 0.00 H new ATOM 865 N VAL A 55 3.692 -1.582 -1.807 1.00 0.00 N ATOM 866 CA VAL A 55 3.447 -1.366 -0.415 1.00 0.00 C ATOM 867 C VAL A 55 4.135 -2.426 0.448 1.00 0.00 C ATOM 868 O VAL A 55 4.010 -3.629 0.206 1.00 0.00 O ATOM 869 CB VAL A 55 1.900 -1.292 -0.095 1.00 0.00 C ATOM 870 CG1 VAL A 55 1.159 -2.607 -0.360 1.00 0.00 C ATOM 871 CG2 VAL A 55 1.656 -0.829 1.323 1.00 0.00 C ATOM 0 H VAL A 55 3.216 -2.396 -2.195 1.00 0.00 H new ATOM 0 HA VAL A 55 3.881 -0.398 -0.163 1.00 0.00 H new ATOM 0 HB VAL A 55 1.490 -0.556 -0.787 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.103 -2.484 -0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.263 -2.878 -1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.584 -3.396 0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.583 -0.788 1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.121 -1.527 2.019 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.087 0.163 1.461 1.00 0.00 H new ATOM 881 N GLU A 56 4.877 -1.965 1.416 1.00 0.00 N ATOM 882 CA GLU A 56 5.498 -2.816 2.392 1.00 0.00 C ATOM 883 C GLU A 56 4.594 -2.864 3.589 1.00 0.00 C ATOM 884 O GLU A 56 4.186 -1.817 4.106 1.00 0.00 O ATOM 885 CB GLU A 56 6.855 -2.270 2.812 1.00 0.00 C ATOM 886 CG GLU A 56 7.932 -2.369 1.757 1.00 0.00 C ATOM 887 CD GLU A 56 9.199 -1.691 2.198 1.00 0.00 C ATOM 888 OE1 GLU A 56 9.692 -1.967 3.328 1.00 0.00 O ATOM 889 OE2 GLU A 56 9.652 -0.772 1.498 1.00 0.00 O ATOM 0 H GLU A 56 5.070 -0.973 1.551 1.00 0.00 H new ATOM 0 HA GLU A 56 5.652 -3.808 1.967 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.738 -1.224 3.095 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.187 -2.806 3.701 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.136 -3.418 1.541 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.579 -1.915 0.831 1.00 0.00 H new ATOM 896 N MET A 57 4.245 -4.037 3.994 1.00 0.00 N ATOM 897 CA MET A 57 3.353 -4.230 5.105 1.00 0.00 C ATOM 898 C MET A 57 3.720 -5.451 5.880 1.00 0.00 C ATOM 899 O MET A 57 4.343 -6.360 5.353 1.00 0.00 O ATOM 900 CB MET A 57 1.899 -4.316 4.645 1.00 0.00 C ATOM 901 CG MET A 57 1.650 -5.244 3.480 1.00 0.00 C ATOM 902 SD MET A 57 -0.099 -5.412 3.111 1.00 0.00 S ATOM 903 CE MET A 57 -0.558 -3.717 2.769 1.00 0.00 C ATOM 0 H MET A 57 4.570 -4.903 3.564 1.00 0.00 H new ATOM 0 HA MET A 57 3.453 -3.361 5.756 1.00 0.00 H new ATOM 0 HB2 MET A 57 1.287 -4.641 5.486 1.00 0.00 H new ATOM 0 HB3 MET A 57 1.561 -3.316 4.372 1.00 0.00 H new ATOM 0 HG2 MET A 57 2.171 -4.868 2.600 1.00 0.00 H new ATOM 0 HG3 MET A 57 2.069 -6.225 3.703 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.520 -3.697 2.257 1.00 0.00 H new ATOM 0 HE2 MET A 57 -0.634 -3.164 3.706 1.00 0.00 H new ATOM 0 HE3 MET A 57 0.200 -3.256 2.136 1.00 0.00 H new ATOM 913 N SER A 58 3.370 -5.455 7.115 1.00 0.00 N ATOM 914 CA SER A 58 3.632 -6.563 7.982 1.00 0.00 C ATOM 915 C SER A 58 2.413 -7.491 7.929 1.00 0.00 C ATOM 916 O SER A 58 1.306 -7.019 7.667 1.00 0.00 O ATOM 917 CB SER A 58 3.807 -6.043 9.399 1.00 0.00 C ATOM 918 OG SER A 58 4.547 -4.837 9.404 1.00 0.00 O ATOM 0 H SER A 58 2.885 -4.679 7.566 1.00 0.00 H new ATOM 0 HA SER A 58 4.532 -7.096 7.677 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.830 -5.877 9.854 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.318 -6.791 10.005 1.00 0.00 H new ATOM 0 HG SER A 58 3.944 -4.084 9.575 1.00 0.00 H new ATOM 924 N PRO A 59 2.579 -8.820 8.128 1.00 0.00 N ATOM 925 CA PRO A 59 1.441 -9.769 8.172 1.00 0.00 C ATOM 926 C PRO A 59 0.469 -9.436 9.320 1.00 0.00 C ATOM 927 O PRO A 59 -0.653 -9.912 9.357 1.00 0.00 O ATOM 928 CB PRO A 59 2.111 -11.126 8.432 1.00 0.00 C ATOM 929 CG PRO A 59 3.526 -10.947 8.016 1.00 0.00 C ATOM 930 CD PRO A 59 3.867 -9.515 8.297 1.00 0.00 C ATOM 0 HA PRO A 59 0.849 -9.741 7.257 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.042 -11.404 9.484 1.00 0.00 H new ATOM 0 HB3 PRO A 59 1.630 -11.919 7.860 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.182 -11.619 8.569 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.653 -11.177 6.958 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.264 -9.386 9.304 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.621 -9.138 7.606 1.00 0.00 H new ATOM 938 N TYR A 60 0.940 -8.616 10.250 1.00 0.00 N ATOM 939 CA TYR A 60 0.147 -8.154 11.375 1.00 0.00 C ATOM 940 C TYR A 60 -0.673 -6.920 10.965 1.00 0.00 C ATOM 941 O TYR A 60 -1.654 -6.569 11.612 1.00 0.00 O ATOM 942 CB TYR A 60 1.094 -7.823 12.554 1.00 0.00 C ATOM 943 CG TYR A 60 0.419 -7.241 13.785 1.00 0.00 C ATOM 944 CD1 TYR A 60 -0.279 -8.050 14.673 1.00 0.00 C ATOM 945 CD2 TYR A 60 0.488 -5.877 14.055 1.00 0.00 C ATOM 946 CE1 TYR A 60 -0.893 -7.515 15.792 1.00 0.00 C ATOM 947 CE2 TYR A 60 -0.121 -5.339 15.168 1.00 0.00 C ATOM 948 CZ TYR A 60 -0.809 -6.158 16.032 1.00 0.00 C ATOM 949 OH TYR A 60 -1.419 -5.620 17.142 1.00 0.00 O ATOM 0 H TYR A 60 1.892 -8.251 10.242 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.549 -8.932 11.687 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.619 -8.733 12.844 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.848 -7.117 12.206 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.343 -9.112 14.487 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.028 -5.229 13.380 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.434 -8.155 16.473 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.058 -4.278 15.361 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.263 -4.653 17.164 1.00 0.00 H new ATOM 959 N ASP A 61 -0.283 -6.307 9.866 1.00 0.00 N ATOM 960 CA ASP A 61 -0.958 -5.125 9.375 1.00 0.00 C ATOM 961 C ASP A 61 -1.910 -5.504 8.266 1.00 0.00 C ATOM 962 O ASP A 61 -3.078 -5.787 8.496 1.00 0.00 O ATOM 963 CB ASP A 61 0.024 -4.049 8.827 1.00 0.00 C ATOM 964 CG ASP A 61 0.880 -3.352 9.850 1.00 0.00 C ATOM 965 OD1 ASP A 61 0.371 -2.454 10.537 1.00 0.00 O ATOM 966 OD2 ASP A 61 2.092 -3.666 9.913 1.00 0.00 O ATOM 0 H ASP A 61 0.504 -6.611 9.293 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.489 -4.697 10.225 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.680 -4.523 8.097 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.555 -3.295 8.294 1.00 0.00 H new ATOM 971 N LEU A 62 -1.387 -5.464 7.038 1.00 0.00 N ATOM 972 CA LEU A 62 -2.062 -5.776 5.771 1.00 0.00 C ATOM 973 C LEU A 62 -3.136 -4.742 5.421 1.00 0.00 C ATOM 974 O LEU A 62 -3.436 -4.521 4.277 1.00 0.00 O ATOM 975 CB LEU A 62 -2.538 -7.254 5.690 1.00 0.00 C ATOM 976 CG LEU A 62 -3.033 -7.760 4.307 1.00 0.00 C ATOM 977 CD1 LEU A 62 -2.842 -9.264 4.217 1.00 0.00 C ATOM 978 CD2 LEU A 62 -4.517 -7.453 4.105 1.00 0.00 C ATOM 0 H LEU A 62 -0.414 -5.195 6.890 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.317 -5.690 4.980 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.715 -7.893 6.010 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.345 -7.390 6.409 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.454 -7.249 3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.190 -9.617 3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.785 -9.504 4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.414 -9.751 5.007 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.835 -7.819 3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.100 -7.945 4.884 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.676 -6.376 4.158 1.00 0.00 H new ATOM 990 N THR A 63 -3.663 -4.104 6.415 1.00 0.00 N ATOM 991 CA THR A 63 -4.614 -3.031 6.242 1.00 0.00 C ATOM 992 C THR A 63 -3.848 -1.696 6.319 1.00 0.00 C ATOM 993 O THR A 63 -4.356 -0.614 5.979 1.00 0.00 O ATOM 994 CB THR A 63 -5.742 -3.103 7.332 1.00 0.00 C ATOM 995 OG1 THR A 63 -6.739 -2.094 7.115 1.00 0.00 O ATOM 996 CG2 THR A 63 -5.171 -2.958 8.743 1.00 0.00 C ATOM 0 H THR A 63 -3.447 -4.310 7.390 1.00 0.00 H new ATOM 0 HA THR A 63 -5.105 -3.118 5.273 1.00 0.00 H new ATOM 0 HB THR A 63 -6.204 -4.086 7.242 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.430 -2.163 7.807 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.981 -3.013 9.471 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.459 -3.761 8.932 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.666 -1.996 8.834 1.00 0.00 H new ATOM 1004 N ARG A 64 -2.599 -1.808 6.708 1.00 0.00 N ATOM 1005 CA ARG A 64 -1.728 -0.696 6.885 1.00 0.00 C ATOM 1006 C ARG A 64 -0.457 -1.022 6.135 1.00 0.00 C ATOM 1007 O ARG A 64 -0.065 -2.184 6.087 1.00 0.00 O ATOM 1008 CB ARG A 64 -1.448 -0.518 8.391 1.00 0.00 C ATOM 1009 CG ARG A 64 -0.600 0.687 8.767 1.00 0.00 C ATOM 1010 CD ARG A 64 -1.281 1.976 8.357 1.00 0.00 C ATOM 1011 NE ARG A 64 -0.545 3.169 8.803 1.00 0.00 N ATOM 1012 CZ ARG A 64 -0.607 4.365 8.204 1.00 0.00 C ATOM 1013 NH1 ARG A 64 -1.202 4.487 7.015 1.00 0.00 N ATOM 1014 NH2 ARG A 64 -0.036 5.433 8.774 1.00 0.00 N ATOM 0 H ARG A 64 -2.160 -2.706 6.913 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.160 0.232 6.510 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.402 -0.445 8.913 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.952 -1.417 8.758 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.423 0.691 9.843 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.374 0.616 8.284 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.382 2.000 7.272 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.289 1.999 8.772 1.00 0.00 H new ATOM 0 HE ARG A 64 0.053 3.079 9.624 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.610 3.669 6.562 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.249 5.398 6.559 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.448 5.337 9.667 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.085 6.343 8.316 1.00 0.00 H new ATOM 1028 N GLY A 65 0.139 -0.045 5.503 1.00 0.00 N ATOM 1029 CA GLY A 65 1.356 -0.299 4.790 1.00 0.00 C ATOM 1030 C GLY A 65 2.122 0.965 4.517 1.00 0.00 C ATOM 1031 O GLY A 65 1.681 2.066 4.898 1.00 0.00 O ATOM 0 H GLY A 65 -0.194 0.918 5.469 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.978 -0.983 5.367 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.127 -0.795 3.847 1.00 0.00 H new ATOM 1035 N ARG A 66 3.247 0.828 3.865 1.00 0.00 N ATOM 1036 CA ARG A 66 4.101 1.944 3.555 1.00 0.00 C ATOM 1037 C ARG A 66 4.527 1.869 2.087 1.00 0.00 C ATOM 1038 O ARG A 66 4.835 0.794 1.595 1.00 0.00 O ATOM 1039 CB ARG A 66 5.346 1.857 4.410 1.00 0.00 C ATOM 1040 CG ARG A 66 6.161 3.132 4.460 1.00 0.00 C ATOM 1041 CD ARG A 66 7.630 2.820 4.514 1.00 0.00 C ATOM 1042 NE ARG A 66 7.961 1.780 5.513 1.00 0.00 N ATOM 1043 CZ ARG A 66 8.677 0.668 5.222 1.00 0.00 C ATOM 1044 NH1 ARG A 66 9.259 0.557 4.057 1.00 0.00 N ATOM 1045 NH2 ARG A 66 8.819 -0.313 6.110 1.00 0.00 N ATOM 0 H ARG A 66 3.599 -0.069 3.531 1.00 0.00 H new ATOM 0 HA ARG A 66 3.565 2.874 3.743 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.057 1.585 5.425 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.976 1.052 4.032 1.00 0.00 H new ATOM 0 HG2 ARG A 66 5.946 3.742 3.583 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.876 3.718 5.334 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.963 2.490 3.530 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.181 3.731 4.748 1.00 0.00 H new ATOM 0 HE ARG A 66 7.633 1.907 6.470 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.173 1.307 3.371 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.799 -0.279 3.834 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.384 -0.235 7.030 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.362 -1.142 5.871 1.00 0.00 H new ATOM 1059 N ILE A 67 4.528 2.995 1.407 1.00 0.00 N ATOM 1060 CA ILE A 67 4.955 3.061 0.011 1.00 0.00 C ATOM 1061 C ILE A 67 6.392 3.517 -0.102 1.00 0.00 C ATOM 1062 O ILE A 67 6.782 4.595 0.427 1.00 0.00 O ATOM 1063 CB ILE A 67 4.013 3.954 -0.889 1.00 0.00 C ATOM 1064 CG1 ILE A 67 2.795 3.168 -1.357 1.00 0.00 C ATOM 1065 CG2 ILE A 67 4.742 4.539 -2.105 1.00 0.00 C ATOM 1066 CD1 ILE A 67 1.920 2.648 -0.274 1.00 0.00 C ATOM 0 H ILE A 67 4.236 3.891 1.797 1.00 0.00 H new ATOM 0 HA ILE A 67 4.878 2.044 -0.374 1.00 0.00 H new ATOM 0 HB ILE A 67 3.690 4.784 -0.260 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.199 3.807 -2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.136 2.327 -1.961 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.048 5.144 -2.689 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.571 5.161 -1.768 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.126 3.728 -2.724 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.083 2.104 -0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.493 1.977 0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.541 3.480 0.319 1.00 0.00 H new ATOM 1078 N THR A 68 7.184 2.704 -0.733 1.00 0.00 N ATOM 1079 CA THR A 68 8.552 3.043 -0.985 1.00 0.00 C ATOM 1080 C THR A 68 8.858 3.136 -2.476 1.00 0.00 C ATOM 1081 O THR A 68 9.777 3.882 -2.891 1.00 0.00 O ATOM 1082 CB THR A 68 9.465 2.021 -0.323 1.00 0.00 C ATOM 1083 OG1 THR A 68 8.930 0.712 -0.555 1.00 0.00 O ATOM 1084 CG2 THR A 68 9.556 2.297 1.158 1.00 0.00 C ATOM 0 H THR A 68 6.902 1.790 -1.087 1.00 0.00 H new ATOM 0 HA THR A 68 8.732 4.030 -0.558 1.00 0.00 H new ATOM 0 HB THR A 68 10.468 2.086 -0.745 1.00 0.00 H new ATOM 0 HG1 THR A 68 8.993 0.183 0.267 1.00 0.00 H new ATOM 0 HG21 THR A 68 10.211 1.562 1.626 1.00 0.00 H new ATOM 0 HG22 THR A 68 9.960 3.297 1.318 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.563 2.232 1.602 1.00 0.00 H new ATOM 1092 N TYR A 69 8.060 2.470 -3.280 1.00 0.00 N ATOM 1093 CA TYR A 69 8.308 2.381 -4.697 1.00 0.00 C ATOM 1094 C TYR A 69 6.986 2.433 -5.442 1.00 0.00 C ATOM 1095 O TYR A 69 5.929 2.244 -4.840 1.00 0.00 O ATOM 1096 CB TYR A 69 9.018 1.048 -4.973 1.00 0.00 C ATOM 1097 CG TYR A 69 9.549 0.863 -6.385 1.00 0.00 C ATOM 1098 CD1 TYR A 69 10.629 1.606 -6.843 1.00 0.00 C ATOM 1099 CD2 TYR A 69 8.969 -0.052 -7.254 1.00 0.00 C ATOM 1100 CE1 TYR A 69 11.115 1.442 -8.126 1.00 0.00 C ATOM 1101 CE2 TYR A 69 9.450 -0.221 -8.537 1.00 0.00 C ATOM 1102 CZ TYR A 69 10.522 0.527 -8.968 1.00 0.00 C ATOM 1103 OH TYR A 69 11.003 0.361 -10.245 1.00 0.00 O ATOM 0 H TYR A 69 7.223 1.977 -2.969 1.00 0.00 H new ATOM 0 HA TYR A 69 8.931 3.210 -5.033 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.850 0.950 -4.276 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.324 0.236 -4.757 1.00 0.00 H new ATOM 0 HD1 TYR A 69 11.097 2.324 -6.186 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.128 -0.641 -6.921 1.00 0.00 H new ATOM 0 HE1 TYR A 69 11.956 2.028 -8.467 1.00 0.00 H new ATOM 0 HE2 TYR A 69 8.987 -0.937 -9.200 1.00 0.00 H new ATOM 0 HH TYR A 69 10.474 -0.323 -10.707 1.00 0.00 H new ATOM 1113 N ARG A 70 7.043 2.722 -6.723 1.00 0.00 N ATOM 1114 CA ARG A 70 5.873 2.718 -7.551 1.00 0.00 C ATOM 1115 C ARG A 70 6.139 1.913 -8.798 1.00 0.00 C ATOM 1116 O ARG A 70 6.910 2.317 -9.672 1.00 0.00 O ATOM 1117 CB ARG A 70 5.373 4.135 -7.856 1.00 0.00 C ATOM 1118 CG ARG A 70 6.386 5.055 -8.534 1.00 0.00 C ATOM 1119 CD ARG A 70 5.946 6.515 -8.515 1.00 0.00 C ATOM 1120 NE ARG A 70 4.678 6.785 -9.228 1.00 0.00 N ATOM 1121 CZ ARG A 70 4.081 7.995 -9.263 1.00 0.00 C ATOM 1122 NH1 ARG A 70 4.597 9.006 -8.576 1.00 0.00 N ATOM 1123 NH2 ARG A 70 2.978 8.193 -9.971 1.00 0.00 N ATOM 0 H ARG A 70 7.904 2.965 -7.213 1.00 0.00 H new ATOM 0 HA ARG A 70 5.061 2.239 -7.005 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.491 4.062 -8.492 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.055 4.599 -6.922 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.350 4.962 -8.033 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.530 4.735 -9.566 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.840 6.836 -7.479 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.734 7.124 -8.958 1.00 0.00 H new ATOM 0 HE ARG A 70 4.230 6.013 -9.721 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.443 8.868 -8.023 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.148 9.921 -8.601 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.567 7.424 -10.501 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.540 9.114 -9.986 1.00 0.00 H new ATOM 1137 N TYR A 71 5.570 0.763 -8.836 1.00 0.00 N ATOM 1138 CA TYR A 71 5.750 -0.144 -9.925 1.00 0.00 C ATOM 1139 C TYR A 71 4.510 -0.155 -10.787 1.00 0.00 C ATOM 1140 O TYR A 71 3.404 -0.029 -10.281 1.00 0.00 O ATOM 1141 CB TYR A 71 6.036 -1.531 -9.368 1.00 0.00 C ATOM 1142 CG TYR A 71 6.259 -2.604 -10.422 1.00 0.00 C ATOM 1143 CD1 TYR A 71 7.453 -2.676 -11.127 1.00 0.00 C ATOM 1144 CD2 TYR A 71 5.265 -3.527 -10.726 1.00 0.00 C ATOM 1145 CE1 TYR A 71 7.649 -3.637 -12.099 1.00 0.00 C ATOM 1146 CE2 TYR A 71 5.452 -4.486 -11.695 1.00 0.00 C ATOM 1147 CZ TYR A 71 6.644 -4.538 -12.379 1.00 0.00 C ATOM 1148 OH TYR A 71 6.833 -5.494 -13.349 1.00 0.00 O ATOM 0 H TYR A 71 4.954 0.414 -8.102 1.00 0.00 H new ATOM 0 HA TYR A 71 6.591 0.171 -10.543 1.00 0.00 H new ATOM 0 HB2 TYR A 71 6.919 -1.477 -8.731 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.203 -1.832 -8.733 1.00 0.00 H new ATOM 0 HD1 TYR A 71 8.241 -1.969 -10.912 1.00 0.00 H new ATOM 0 HD2 TYR A 71 4.327 -3.491 -10.191 1.00 0.00 H new ATOM 0 HE1 TYR A 71 8.584 -3.682 -12.637 1.00 0.00 H new ATOM 0 HE2 TYR A 71 4.667 -5.194 -11.917 1.00 0.00 H new ATOM 0 HH TYR A 71 6.029 -6.050 -13.422 1.00 0.00 H new ATOM 1158 N LYS A 72 4.682 -0.302 -12.066 1.00 0.00 N ATOM 1159 CA LYS A 72 3.577 -0.366 -12.972 1.00 0.00 C ATOM 1160 C LYS A 72 3.485 -1.767 -13.517 1.00 0.00 C ATOM 1161 O LYS A 72 4.221 -2.082 -14.441 1.00 0.00 O ATOM 1162 CB LYS A 72 3.714 0.668 -14.090 1.00 0.00 C ATOM 1163 CG LYS A 72 3.673 2.099 -13.586 1.00 0.00 C ATOM 1164 CD LYS A 72 3.801 3.101 -14.717 1.00 0.00 C ATOM 1165 CE LYS A 72 3.705 4.524 -14.193 1.00 0.00 C ATOM 1166 NZ LYS A 72 2.402 4.781 -13.543 1.00 0.00 N ATOM 1167 OXT LYS A 72 2.700 -2.558 -12.953 1.00 0.00 O ATOM 0 H LYS A 72 5.596 -0.381 -12.511 1.00 0.00 H new ATOM 0 HA LYS A 72 2.655 -0.125 -12.443 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.653 0.502 -14.617 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.912 0.521 -14.813 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.737 2.270 -13.054 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.480 2.255 -12.870 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.754 2.960 -15.227 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.017 2.927 -15.454 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.509 4.704 -13.480 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.846 5.225 -15.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.380 5.757 -13.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.637 4.650 -14.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.271 4.118 -12.753 1.00 0.00 H new TER 1181 LYS A 72