USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 435 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 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0391) USER MOD Single : A 13 LYS NZ :NH3+ 176:sc= 1.28 (180deg=1.12) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -161:sc= 1.05 (180deg=0.776) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 8:sc= 1.3 USER MOD Single : A 28 GLN : amide:sc= 0.741 K(o=0.74,f=-0.031) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0122 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0.184 USER MOD Single : A 58 SER OG : rot 180:sc= 0.361 USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 -10.126 12.105 -4.916 1.00 0.00 N ATOM 35 CA LEU A 3 -9.159 12.625 -5.885 1.00 0.00 C ATOM 36 C LEU A 3 -9.481 12.317 -7.360 1.00 0.00 C ATOM 37 O LEU A 3 -10.461 11.639 -7.691 1.00 0.00 O ATOM 38 CB LEU A 3 -7.774 12.076 -5.481 1.00 0.00 C ATOM 39 CG LEU A 3 -7.232 12.648 -4.158 1.00 0.00 C ATOM 40 CD1 LEU A 3 -5.803 12.163 -3.933 1.00 0.00 C ATOM 41 CD2 LEU A 3 -7.197 14.172 -4.168 1.00 0.00 C ATOM 0 HA LEU A 3 -9.192 13.714 -5.845 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.836 10.991 -5.397 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.062 12.294 -6.277 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.901 12.306 -3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.424 12.570 -2.996 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.791 11.074 -3.886 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.171 12.498 -4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.808 14.533 -3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.553 14.516 -4.977 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.205 14.558 -4.318 1.00 0.00 H new ATOM 52 N THR A 4 -8.639 12.852 -8.253 1.00 0.00 N ATOM 53 CA THR A 4 -8.722 12.662 -9.718 1.00 0.00 C ATOM 54 C THR A 4 -8.365 11.229 -10.149 1.00 0.00 C ATOM 55 O THR A 4 -8.218 10.324 -9.320 1.00 0.00 O ATOM 56 CB THR A 4 -7.852 13.687 -10.474 1.00 0.00 C ATOM 57 OG1 THR A 4 -6.490 13.484 -10.175 1.00 0.00 O ATOM 58 CG2 THR A 4 -8.226 15.135 -10.168 1.00 0.00 C ATOM 0 H THR A 4 -7.858 13.446 -7.975 1.00 0.00 H new ATOM 0 HA THR A 4 -9.765 12.831 -9.987 1.00 0.00 H new ATOM 0 HB THR A 4 -8.037 13.522 -11.535 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.947 14.139 -10.662 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.577 15.805 -10.731 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.263 15.311 -10.453 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.105 15.324 -9.101 1.00 0.00 H new ATOM 66 N GLN A 5 -8.199 11.009 -11.460 1.00 0.00 N ATOM 67 CA GLN A 5 -7.707 9.761 -12.063 1.00 0.00 C ATOM 68 C GLN A 5 -6.428 9.196 -11.416 1.00 0.00 C ATOM 69 O GLN A 5 -6.198 7.984 -11.478 1.00 0.00 O ATOM 70 CB GLN A 5 -7.511 9.974 -13.572 1.00 0.00 C ATOM 71 CG GLN A 5 -6.380 10.951 -13.945 1.00 0.00 C ATOM 72 CD GLN A 5 -6.264 11.122 -15.458 1.00 0.00 C ATOM 73 OE1 GLN A 5 -5.483 10.457 -16.129 1.00 0.00 O ATOM 74 NE2 GLN A 5 -7.025 12.013 -16.059 1.00 0.00 N ATOM 0 H GLN A 5 -8.412 11.722 -12.157 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.468 9.003 -11.877 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.307 9.010 -14.037 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.445 10.342 -13.997 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.567 11.920 -13.482 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.434 10.584 -13.546 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.680 12.574 -15.515 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.959 12.142 -17.069 1.00 0.00 H new ATOM 81 N GLY A 6 -5.613 10.040 -10.770 1.00 0.00 N ATOM 82 CA GLY A 6 -4.466 9.587 -9.997 1.00 0.00 C ATOM 83 C GLY A 6 -3.713 10.664 -9.219 1.00 0.00 C ATOM 84 O GLY A 6 -2.488 10.599 -9.202 1.00 0.00 O ATOM 0 H GLY A 6 -5.736 11.053 -10.773 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.805 8.828 -9.292 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.765 9.101 -10.676 1.00 0.00 H new ATOM 88 N GLU A 7 -4.364 11.626 -8.547 1.00 0.00 N ATOM 89 CA GLU A 7 -3.694 12.699 -7.804 1.00 0.00 C ATOM 90 C GLU A 7 -2.824 12.194 -6.636 1.00 0.00 C ATOM 91 O GLU A 7 -1.987 12.932 -6.130 1.00 0.00 O ATOM 92 CB GLU A 7 -4.736 13.725 -7.313 1.00 0.00 C ATOM 93 CG GLU A 7 -4.479 15.101 -7.936 1.00 0.00 C ATOM 94 CD GLU A 7 -5.321 16.227 -7.303 1.00 0.00 C ATOM 95 OE1 GLU A 7 -6.563 16.087 -7.192 1.00 0.00 O ATOM 96 OE2 GLU A 7 -4.744 17.282 -6.941 1.00 0.00 O ATOM 0 H GLU A 7 -5.382 11.679 -8.505 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.003 13.178 -8.497 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.739 13.385 -7.572 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.696 13.799 -6.226 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.422 15.346 -7.833 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.693 15.054 -9.004 1.00 0.00 H new ATOM 101 N LEU A 8 -2.959 10.923 -6.248 1.00 0.00 N ATOM 102 CA LEU A 8 -2.056 10.226 -5.322 1.00 0.00 C ATOM 103 C LEU A 8 -1.235 9.108 -5.998 1.00 0.00 C ATOM 104 O LEU A 8 -0.205 8.697 -5.472 1.00 0.00 O ATOM 105 CB LEU A 8 -2.881 9.776 -4.102 1.00 0.00 C ATOM 106 CG LEU A 8 -3.790 8.553 -4.347 1.00 0.00 C ATOM 107 CD1 LEU A 8 -3.145 7.303 -3.739 1.00 0.00 C ATOM 108 CD2 LEU A 8 -5.174 8.707 -3.718 1.00 0.00 C ATOM 0 H LEU A 8 -3.721 10.331 -6.578 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.279 10.907 -4.975 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.198 9.544 -3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.500 10.610 -3.773 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.906 8.466 -5.427 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.788 6.440 -3.913 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.174 7.132 -4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.013 7.447 -2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.768 7.817 -3.923 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.072 8.834 -2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.671 9.580 -4.141 1.00 0.00 H new ATOM 119 N MET A 9 -1.628 8.653 -7.194 1.00 0.00 N ATOM 120 CA MET A 9 -0.938 7.616 -7.975 1.00 0.00 C ATOM 121 C MET A 9 0.396 8.145 -8.488 1.00 0.00 C ATOM 122 O MET A 9 1.463 7.702 -8.070 1.00 0.00 O ATOM 123 CB MET A 9 -1.860 7.116 -9.116 1.00 0.00 C ATOM 124 CG MET A 9 -1.160 6.610 -10.383 1.00 0.00 C ATOM 125 SD MET A 9 -2.198 5.588 -11.462 1.00 0.00 S ATOM 126 CE MET A 9 -0.986 5.204 -12.758 1.00 0.00 C ATOM 0 H MET A 9 -2.463 9.008 -7.661 1.00 0.00 H new ATOM 0 HA MET A 9 -0.716 6.759 -7.339 1.00 0.00 H new ATOM 0 HB2 MET A 9 -2.483 6.312 -8.725 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.529 7.929 -9.397 1.00 0.00 H new ATOM 0 HG2 MET A 9 -0.802 7.468 -10.952 1.00 0.00 H new ATOM 0 HG3 MET A 9 -0.283 6.032 -10.092 1.00 0.00 H new ATOM 0 HE1 MET A 9 -1.452 4.576 -13.517 1.00 0.00 H new ATOM 0 HE2 MET A 9 -0.638 6.130 -13.217 1.00 0.00 H new ATOM 0 HE3 MET A 9 -0.139 4.676 -12.319 1.00 0.00 H new ATOM 134 N LYS A 10 0.338 9.134 -9.377 1.00 0.00 N ATOM 135 CA LYS A 10 1.488 9.702 -10.106 1.00 0.00 C ATOM 136 C LYS A 10 2.393 10.599 -9.235 1.00 0.00 C ATOM 137 O LYS A 10 3.175 11.395 -9.754 1.00 0.00 O ATOM 138 CB LYS A 10 0.944 10.358 -11.396 1.00 0.00 C ATOM 139 CG LYS A 10 -0.044 11.516 -11.157 1.00 0.00 C ATOM 140 CD LYS A 10 -1.251 11.513 -12.110 1.00 0.00 C ATOM 141 CE LYS A 10 -2.119 12.768 -11.943 1.00 0.00 C ATOM 142 NZ LYS A 10 -1.455 13.991 -12.465 1.00 0.00 N ATOM 0 H LYS A 10 -0.543 9.585 -9.625 1.00 0.00 H new ATOM 0 HA LYS A 10 2.182 8.912 -10.391 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.785 10.730 -11.982 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.450 9.594 -11.996 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.405 11.466 -10.130 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.488 12.462 -11.263 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.900 11.450 -13.140 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.857 10.626 -11.925 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.066 12.623 -12.462 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.352 12.907 -10.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.124 14.787 -12.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.627 14.214 -11.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.149 13.828 -13.446 1.00 0.00 H new ATOM 152 N LEU A 11 2.264 10.476 -7.907 1.00 0.00 N ATOM 153 CA LEU A 11 2.869 11.274 -6.842 1.00 0.00 C ATOM 154 C LEU A 11 3.567 10.398 -5.807 1.00 0.00 C ATOM 155 O LEU A 11 4.642 10.785 -5.343 1.00 0.00 O ATOM 156 CB LEU A 11 1.812 12.130 -6.110 1.00 0.00 C ATOM 157 CG LEU A 11 1.184 13.299 -6.883 1.00 0.00 C ATOM 158 CD1 LEU A 11 2.243 14.256 -7.423 1.00 0.00 C ATOM 159 CD2 LEU A 11 0.331 12.827 -8.053 1.00 0.00 C ATOM 0 H LEU A 11 1.674 9.741 -7.518 1.00 0.00 H new ATOM 0 HA LEU A 11 3.601 11.921 -7.326 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.007 11.468 -5.790 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.272 12.533 -5.208 1.00 0.00 H new ATOM 0 HG LEU A 11 0.551 13.817 -6.162 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.757 15.069 -7.963 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.820 14.665 -6.594 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.909 13.718 -8.098 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.091 13.690 -8.567 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.949 12.257 -8.747 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.476 12.195 -7.683 1.00 0.00 H new ATOM 170 N ILE A 12 3.023 9.219 -5.458 1.00 0.00 N ATOM 171 CA ILE A 12 3.684 8.383 -4.437 1.00 0.00 C ATOM 172 C ILE A 12 5.074 7.931 -4.895 1.00 0.00 C ATOM 173 O ILE A 12 6.000 7.857 -4.091 1.00 0.00 O ATOM 174 CB ILE A 12 2.853 7.154 -4.030 1.00 0.00 C ATOM 175 CG1 ILE A 12 2.324 6.337 -5.233 1.00 0.00 C ATOM 176 CG2 ILE A 12 1.722 7.561 -3.082 1.00 0.00 C ATOM 177 CD1 ILE A 12 2.645 4.851 -5.055 1.00 0.00 C ATOM 0 H ILE A 12 2.163 8.834 -5.848 1.00 0.00 H new ATOM 0 HA ILE A 12 3.781 9.021 -3.559 1.00 0.00 H new ATOM 0 HB ILE A 12 3.529 6.482 -3.501 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.247 6.474 -5.327 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.774 6.704 -6.155 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.145 6.679 -2.805 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.144 8.015 -2.186 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.071 8.279 -3.580 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.266 4.292 -5.910 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.725 4.718 -4.984 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.174 4.484 -4.143 1.00 0.00 H new ATOM 188 N LYS A 13 5.249 7.707 -6.199 1.00 0.00 N ATOM 189 CA LYS A 13 6.539 7.285 -6.779 1.00 0.00 C ATOM 190 C LYS A 13 7.418 8.456 -7.224 1.00 0.00 C ATOM 191 O LYS A 13 8.604 8.291 -7.477 1.00 0.00 O ATOM 192 CB LYS A 13 6.292 6.232 -7.872 1.00 0.00 C ATOM 193 CG LYS A 13 5.288 6.601 -8.980 1.00 0.00 C ATOM 194 CD LYS A 13 5.746 7.638 -10.020 1.00 0.00 C ATOM 195 CE LYS A 13 7.064 7.258 -10.708 1.00 0.00 C ATOM 196 NZ LYS A 13 7.412 8.226 -11.779 1.00 0.00 N ATOM 0 H LYS A 13 4.504 7.811 -6.888 1.00 0.00 H new ATOM 0 HA LYS A 13 7.132 6.813 -5.995 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.248 6.001 -8.343 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.945 5.318 -7.390 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.017 5.688 -9.509 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.381 6.975 -8.505 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.969 7.754 -10.775 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.863 8.606 -9.532 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.866 7.225 -9.970 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.980 6.258 -11.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.340 7.982 -12.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.691 8.189 -12.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.449 9.186 -11.381 1.00 0.00 H new ATOM 206 N GLU A 14 6.855 9.656 -7.259 1.00 0.00 N ATOM 207 CA GLU A 14 7.470 10.892 -7.757 1.00 0.00 C ATOM 208 C GLU A 14 8.067 11.734 -6.618 1.00 0.00 C ATOM 209 O GLU A 14 8.879 12.625 -6.872 1.00 0.00 O ATOM 210 CB GLU A 14 6.410 11.679 -8.549 1.00 0.00 C ATOM 211 CG GLU A 14 6.976 12.705 -9.544 1.00 0.00 C ATOM 212 CD GLU A 14 7.875 12.083 -10.634 1.00 0.00 C ATOM 213 OE1 GLU A 14 7.651 10.913 -11.041 1.00 0.00 O ATOM 214 OE2 GLU A 14 8.811 12.771 -11.108 1.00 0.00 O ATOM 0 H GLU A 14 5.904 9.808 -6.923 1.00 0.00 H new ATOM 0 HA GLU A 14 8.304 10.641 -8.413 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.786 10.972 -9.095 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.761 12.198 -7.843 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.148 13.228 -10.023 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.550 13.452 -8.995 1.00 0.00 H new ATOM 219 N ILE A 15 7.727 11.410 -5.363 1.00 0.00 N ATOM 220 CA ILE A 15 8.391 11.909 -4.162 1.00 0.00 C ATOM 221 C ILE A 15 9.304 10.820 -3.594 1.00 0.00 C ATOM 222 O ILE A 15 10.472 11.095 -3.332 1.00 0.00 O ATOM 223 CB ILE A 15 7.378 12.456 -3.130 1.00 0.00 C ATOM 224 CG1 ILE A 15 6.487 11.362 -2.495 1.00 0.00 C ATOM 225 CG2 ILE A 15 6.512 13.563 -3.757 1.00 0.00 C ATOM 226 CD1 ILE A 15 6.977 10.992 -1.091 1.00 0.00 C ATOM 0 H ILE A 15 6.958 10.773 -5.155 1.00 0.00 H new ATOM 0 HA ILE A 15 9.017 12.762 -4.426 1.00 0.00 H new ATOM 0 HB ILE A 15 7.970 12.874 -2.316 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.457 11.714 -2.442 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.489 10.475 -3.129 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.805 13.936 -3.016 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.152 14.380 -4.091 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.965 13.159 -4.609 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.331 10.221 -0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.999 10.617 -1.149 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.951 11.875 -0.452 1.00 0.00 H new ATOM 237 N VAL A 16 8.844 9.567 -3.459 1.00 0.00 N ATOM 238 CA VAL A 16 9.650 8.528 -2.803 1.00 0.00 C ATOM 239 C VAL A 16 10.901 8.204 -3.623 1.00 0.00 C ATOM 240 O VAL A 16 11.976 8.018 -3.048 1.00 0.00 O ATOM 241 CB VAL A 16 8.849 7.246 -2.509 1.00 0.00 C ATOM 242 CG1 VAL A 16 9.754 6.184 -1.880 1.00 0.00 C ATOM 243 CG2 VAL A 16 7.713 7.503 -1.512 1.00 0.00 C ATOM 0 H VAL A 16 7.932 9.252 -3.790 1.00 0.00 H new ATOM 0 HA VAL A 16 9.956 8.938 -1.840 1.00 0.00 H new ATOM 0 HB VAL A 16 8.443 6.910 -3.463 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.173 5.284 -1.678 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.566 5.945 -2.567 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.168 6.565 -0.947 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.171 6.575 -1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.129 7.870 -0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.030 8.247 -1.922 1.00 0.00 H new ATOM 253 N GLU A 17 10.808 8.213 -4.961 1.00 0.00 N ATOM 254 CA GLU A 17 12.003 7.972 -5.796 1.00 0.00 C ATOM 255 C GLU A 17 12.912 9.211 -5.907 1.00 0.00 C ATOM 256 O GLU A 17 13.974 9.150 -6.532 1.00 0.00 O ATOM 257 CB GLU A 17 11.634 7.448 -7.195 1.00 0.00 C ATOM 258 CG GLU A 17 10.871 6.114 -7.186 1.00 0.00 C ATOM 259 CD GLU A 17 11.741 4.965 -6.654 1.00 0.00 C ATOM 260 OE1 GLU A 17 12.572 4.415 -7.416 1.00 0.00 O ATOM 261 OE2 GLU A 17 11.597 4.580 -5.473 1.00 0.00 O ATOM 0 H GLU A 17 9.946 8.379 -5.480 1.00 0.00 H new ATOM 0 HA GLU A 17 12.570 7.197 -5.281 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.027 8.197 -7.703 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.547 7.328 -7.778 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.978 6.210 -6.569 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.536 5.879 -8.197 1.00 0.00 H new ATOM 266 N ASN A 18 12.517 10.329 -5.290 1.00 0.00 N ATOM 267 CA ASN A 18 13.212 11.605 -5.323 1.00 0.00 C ATOM 268 C ASN A 18 13.920 11.939 -3.999 1.00 0.00 C ATOM 269 O ASN A 18 14.792 12.809 -3.975 1.00 0.00 O ATOM 270 CB ASN A 18 12.173 12.677 -5.693 1.00 0.00 C ATOM 271 CG ASN A 18 12.789 13.776 -6.525 1.00 0.00 C ATOM 272 OD1 ASN A 18 12.965 14.913 -6.107 1.00 0.00 O ATOM 273 ND2 ASN A 18 13.136 13.450 -7.749 1.00 0.00 N ATOM 0 H ASN A 18 11.665 10.363 -4.731 1.00 0.00 H new ATOM 0 HA ASN A 18 14.011 11.563 -6.064 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.353 12.217 -6.245 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.747 13.102 -4.784 1.00 0.00 H new ATOM 0 HD21 ASN A 18 13.557 14.148 -8.363 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.984 12.499 -8.086 1.00 0.00 H new ATOM 279 N GLU A 19 13.565 11.257 -2.901 1.00 0.00 N ATOM 280 CA GLU A 19 14.034 11.581 -1.551 1.00 0.00 C ATOM 281 C GLU A 19 15.239 10.730 -1.133 1.00 0.00 C ATOM 282 O GLU A 19 16.385 11.120 -1.359 1.00 0.00 O ATOM 283 CB GLU A 19 12.860 11.462 -0.565 1.00 0.00 C ATOM 284 CG GLU A 19 11.797 12.553 -0.733 1.00 0.00 C ATOM 285 CD GLU A 19 12.299 13.932 -0.269 1.00 0.00 C ATOM 286 OE1 GLU A 19 12.382 14.161 0.963 1.00 0.00 O ATOM 287 OE2 GLU A 19 12.615 14.796 -1.123 1.00 0.00 O ATOM 0 H GLU A 19 12.936 10.455 -2.928 1.00 0.00 H new ATOM 0 HA GLU A 19 14.393 12.610 -1.542 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.389 10.487 -0.691 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.248 11.499 0.453 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.500 12.610 -1.780 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.908 12.282 -0.164 1.00 0.00 H new ATOM 292 N ASP A 20 14.992 9.563 -0.535 1.00 0.00 N ATOM 293 CA ASP A 20 16.016 8.626 -0.087 1.00 0.00 C ATOM 294 C ASP A 20 15.600 7.189 -0.408 1.00 0.00 C ATOM 295 O ASP A 20 15.002 6.484 0.406 1.00 0.00 O ATOM 296 CB ASP A 20 16.333 8.815 1.407 1.00 0.00 C ATOM 297 CG ASP A 20 17.294 9.981 1.654 1.00 0.00 C ATOM 298 OD1 ASP A 20 18.495 9.828 1.322 1.00 0.00 O ATOM 299 OD2 ASP A 20 16.875 11.022 2.217 1.00 0.00 O ATOM 0 H ASP A 20 14.044 9.237 -0.345 1.00 0.00 H new ATOM 0 HA ASP A 20 16.937 8.835 -0.631 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.406 8.989 1.954 1.00 0.00 H new ATOM 0 HB3 ASP A 20 16.769 7.898 1.803 1.00 0.00 H new ATOM 303 N LYS A 21 15.994 6.716 -1.591 1.00 0.00 N ATOM 304 CA LYS A 21 15.983 5.284 -1.945 1.00 0.00 C ATOM 305 C LYS A 21 16.817 4.418 -0.981 1.00 0.00 C ATOM 306 O LYS A 21 16.589 3.213 -0.871 1.00 0.00 O ATOM 307 CB LYS A 21 16.464 5.091 -3.392 1.00 0.00 C ATOM 308 CG LYS A 21 15.664 5.904 -4.424 1.00 0.00 C ATOM 309 CD LYS A 21 15.851 5.315 -5.829 1.00 0.00 C ATOM 310 CE LYS A 21 15.299 6.277 -6.887 1.00 0.00 C ATOM 311 NZ LYS A 21 15.038 5.583 -8.171 1.00 0.00 N ATOM 0 H LYS A 21 16.334 7.317 -2.342 1.00 0.00 H new ATOM 0 HA LYS A 21 14.951 4.945 -1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 21 17.515 5.373 -3.457 1.00 0.00 H new ATOM 0 HB3 LYS A 21 16.401 4.033 -3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 21 14.607 5.901 -4.159 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.992 6.943 -4.412 1.00 0.00 H new ATOM 0 HD2 LYS A 21 16.909 5.128 -6.014 1.00 0.00 H new ATOM 0 HD3 LYS A 21 15.340 4.355 -5.899 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.376 6.729 -6.523 1.00 0.00 H new ATOM 0 HE3 LYS A 21 16.009 7.088 -7.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.980 6.283 -8.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.811 4.916 -8.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.140 5.063 -8.108 1.00 0.00 H new ATOM 321 N ARG A 22 17.753 5.041 -0.248 1.00 0.00 N ATOM 322 CA ARG A 22 18.560 4.482 0.855 1.00 0.00 C ATOM 323 C ARG A 22 17.783 4.317 2.171 1.00 0.00 C ATOM 324 O ARG A 22 18.199 3.530 3.024 1.00 0.00 O ATOM 325 CB ARG A 22 19.782 5.384 1.133 1.00 0.00 C ATOM 326 CG ARG A 22 20.727 5.627 -0.061 1.00 0.00 C ATOM 327 CD ARG A 22 20.370 6.832 -0.950 1.00 0.00 C ATOM 328 NE ARG A 22 20.383 8.111 -0.206 1.00 0.00 N ATOM 329 CZ ARG A 22 21.400 8.925 0.006 1.00 0.00 C ATOM 330 NH1 ARG A 22 22.604 8.691 -0.441 1.00 0.00 N ATOM 331 NH2 ARG A 22 21.209 10.010 0.692 1.00 0.00 N ATOM 0 H ARG A 22 17.985 6.019 -0.421 1.00 0.00 H new ATOM 0 HA ARG A 22 18.862 3.490 0.520 1.00 0.00 H new ATOM 0 HB2 ARG A 22 19.423 6.350 1.489 1.00 0.00 H new ATOM 0 HB3 ARG A 22 20.360 4.940 1.944 1.00 0.00 H new ATOM 0 HG2 ARG A 22 21.739 5.765 0.320 1.00 0.00 H new ATOM 0 HG3 ARG A 22 20.740 4.731 -0.681 1.00 0.00 H new ATOM 0 HD2 ARG A 22 21.077 6.890 -1.778 1.00 0.00 H new ATOM 0 HD3 ARG A 22 19.382 6.678 -1.384 1.00 0.00 H new ATOM 0 HE ARG A 22 19.491 8.401 0.195 1.00 0.00 H new ATOM 0 HH11 ARG A 22 22.792 7.847 -0.982 1.00 0.00 H new ATOM 0 HH12 ARG A 22 23.357 9.352 -0.250 1.00 0.00 H new ATOM 0 HH21 ARG A 22 20.282 10.224 1.060 1.00 0.00 H new ATOM 0 HH22 ARG A 22 21.986 10.648 0.864 1.00 0.00 H new ATOM 342 N LYS A 23 16.678 5.055 2.350 1.00 0.00 N ATOM 343 CA LYS A 23 15.841 5.136 3.569 1.00 0.00 C ATOM 344 C LYS A 23 14.361 5.378 3.186 1.00 0.00 C ATOM 345 O LYS A 23 13.878 6.512 3.296 1.00 0.00 O ATOM 346 CB LYS A 23 16.363 6.254 4.504 1.00 0.00 C ATOM 347 CG LYS A 23 17.792 6.033 5.034 1.00 0.00 C ATOM 348 CD LYS A 23 18.218 7.108 6.045 1.00 0.00 C ATOM 349 CE LYS A 23 18.355 8.488 5.390 1.00 0.00 C ATOM 350 NZ LYS A 23 18.814 9.509 6.369 1.00 0.00 N ATOM 0 H LYS A 23 16.317 5.651 1.605 1.00 0.00 H new ATOM 0 HA LYS A 23 15.903 4.189 4.105 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.331 7.202 3.967 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.685 6.345 5.353 1.00 0.00 H new ATOM 0 HG2 LYS A 23 17.854 5.052 5.505 1.00 0.00 H new ATOM 0 HG3 LYS A 23 18.490 6.029 4.197 1.00 0.00 H new ATOM 0 HD2 LYS A 23 17.485 7.160 6.850 1.00 0.00 H new ATOM 0 HD3 LYS A 23 19.169 6.825 6.497 1.00 0.00 H new ATOM 0 HE2 LYS A 23 19.062 8.431 4.562 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.396 8.790 4.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.897 10.431 5.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 18.126 9.579 7.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 19.741 9.232 6.751 1.00 0.00 H new ATOM 360 N PRO A 24 13.635 4.351 2.700 1.00 0.00 N ATOM 361 CA PRO A 24 12.299 4.518 2.118 1.00 0.00 C ATOM 362 C PRO A 24 11.226 4.880 3.162 1.00 0.00 C ATOM 363 O PRO A 24 11.394 4.655 4.365 1.00 0.00 O ATOM 364 CB PRO A 24 11.998 3.177 1.438 1.00 0.00 C ATOM 365 CG PRO A 24 12.764 2.178 2.301 1.00 0.00 C ATOM 366 CD PRO A 24 14.025 2.946 2.670 1.00 0.00 C ATOM 0 HA PRO A 24 12.279 5.353 1.418 1.00 0.00 H new ATOM 0 HB2 PRO A 24 10.929 2.962 1.423 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.340 3.163 0.403 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.195 1.887 3.184 1.00 0.00 H new ATOM 0 HG3 PRO A 24 12.993 1.264 1.754 1.00 0.00 H new ATOM 0 HD2 PRO A 24 14.410 2.625 3.638 1.00 0.00 H new ATOM 0 HD3 PRO A 24 14.816 2.774 1.940 1.00 0.00 H new ATOM 371 N TYR A 25 10.093 5.402 2.679 1.00 0.00 N ATOM 372 CA TYR A 25 8.857 5.610 3.448 1.00 0.00 C ATOM 373 C TYR A 25 8.077 4.280 3.614 1.00 0.00 C ATOM 374 O TYR A 25 8.605 3.185 3.392 1.00 0.00 O ATOM 375 CB TYR A 25 8.010 6.716 2.782 1.00 0.00 C ATOM 376 CG TYR A 25 8.676 8.079 2.667 1.00 0.00 C ATOM 377 CD1 TYR A 25 9.579 8.361 1.618 1.00 0.00 C ATOM 378 CD2 TYR A 25 8.368 9.086 3.602 1.00 0.00 C ATOM 379 CE1 TYR A 25 10.163 9.638 1.494 1.00 0.00 C ATOM 380 CE2 TYR A 25 8.981 10.349 3.512 1.00 0.00 C ATOM 381 CZ TYR A 25 9.876 10.630 2.461 1.00 0.00 C ATOM 382 OH TYR A 25 10.444 11.864 2.397 1.00 0.00 O ATOM 0 H TYR A 25 10.007 5.702 1.708 1.00 0.00 H new ATOM 0 HA TYR A 25 9.108 5.946 4.454 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.732 6.383 1.782 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.086 6.831 3.348 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.825 7.590 0.903 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.658 8.888 4.391 1.00 0.00 H new ATOM 0 HE1 TYR A 25 10.824 9.857 0.668 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.765 11.106 4.251 1.00 0.00 H new ATOM 0 HH TYR A 25 10.126 12.410 3.146 1.00 0.00 H new ATOM 391 N SER A 26 6.814 4.340 4.041 1.00 0.00 N ATOM 392 CA SER A 26 5.872 3.210 4.135 1.00 0.00 C ATOM 393 C SER A 26 4.441 3.715 3.927 1.00 0.00 C ATOM 394 O SER A 26 4.246 4.926 3.823 1.00 0.00 O ATOM 395 CB SER A 26 6.046 2.505 5.484 1.00 0.00 C ATOM 396 OG SER A 26 7.324 1.892 5.497 1.00 0.00 O ATOM 0 H SER A 26 6.395 5.218 4.347 1.00 0.00 H new ATOM 0 HA SER A 26 6.081 2.480 3.353 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.958 3.220 6.302 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.264 1.759 5.628 1.00 0.00 H new ATOM 0 HG SER A 26 7.826 2.165 4.701 1.00 0.00 H new ATOM 401 N ASP A 27 3.438 2.840 3.820 1.00 0.00 N ATOM 402 CA ASP A 27 2.082 3.256 3.432 1.00 0.00 C ATOM 403 C ASP A 27 1.405 4.235 4.419 1.00 0.00 C ATOM 404 O ASP A 27 0.706 5.150 3.987 1.00 0.00 O ATOM 405 CB ASP A 27 1.200 2.065 3.020 1.00 0.00 C ATOM 406 CG ASP A 27 0.964 0.962 4.062 1.00 0.00 C ATOM 407 OD1 ASP A 27 0.945 1.240 5.282 1.00 0.00 O ATOM 408 OD2 ASP A 27 0.635 -0.176 3.642 1.00 0.00 O ATOM 0 H ASP A 27 3.536 1.840 3.996 1.00 0.00 H new ATOM 0 HA ASP A 27 2.208 3.858 2.532 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.228 2.455 2.718 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.647 1.605 2.139 1.00 0.00 H new ATOM 412 N GLN A 28 1.687 4.166 5.724 1.00 0.00 N ATOM 413 CA GLN A 28 1.326 5.234 6.658 1.00 0.00 C ATOM 414 C GLN A 28 2.095 6.525 6.330 1.00 0.00 C ATOM 415 O GLN A 28 1.507 7.602 6.230 1.00 0.00 O ATOM 416 CB GLN A 28 1.568 4.752 8.099 1.00 0.00 C ATOM 417 CG GLN A 28 1.474 5.862 9.160 1.00 0.00 C ATOM 418 CD GLN A 28 0.120 6.574 9.205 1.00 0.00 C ATOM 419 OE1 GLN A 28 -0.803 6.168 9.899 1.00 0.00 O ATOM 420 NE2 GLN A 28 -0.054 7.669 8.491 1.00 0.00 N ATOM 0 H GLN A 28 2.167 3.377 6.158 1.00 0.00 H new ATOM 0 HA GLN A 28 0.267 5.472 6.558 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.841 3.975 8.337 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.555 4.293 8.156 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.678 5.431 10.140 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.253 6.599 8.968 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.704 8.023 7.907 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.946 8.162 8.523 1.00 0.00 H new ATOM 427 N GLU A 29 3.416 6.457 6.187 1.00 0.00 N ATOM 428 CA GLU A 29 4.250 7.638 6.023 1.00 0.00 C ATOM 429 C GLU A 29 3.908 8.427 4.754 1.00 0.00 C ATOM 430 O GLU A 29 3.621 9.620 4.860 1.00 0.00 O ATOM 431 CB GLU A 29 5.721 7.226 6.091 1.00 0.00 C ATOM 432 CG GLU A 29 6.112 6.615 7.445 1.00 0.00 C ATOM 433 CD GLU A 29 7.634 6.404 7.533 1.00 0.00 C ATOM 434 OE1 GLU A 29 8.148 5.425 6.941 1.00 0.00 O ATOM 435 OE2 GLU A 29 8.325 7.220 8.194 1.00 0.00 O ATOM 0 H GLU A 29 3.936 5.580 6.182 1.00 0.00 H new ATOM 0 HA GLU A 29 4.048 8.329 6.841 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.927 6.505 5.300 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.346 8.098 5.898 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.784 7.270 8.252 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.600 5.662 7.580 1.00 0.00 H new ATOM 440 N ILE A 30 3.840 7.786 3.581 1.00 0.00 N ATOM 441 CA ILE A 30 3.403 8.442 2.339 1.00 0.00 C ATOM 442 C ILE A 30 1.984 9.008 2.447 1.00 0.00 C ATOM 443 O ILE A 30 1.758 10.122 1.977 1.00 0.00 O ATOM 444 CB ILE A 30 3.606 7.566 1.083 1.00 0.00 C ATOM 445 CG1 ILE A 30 2.693 6.328 1.052 1.00 0.00 C ATOM 446 CG2 ILE A 30 5.088 7.189 0.968 1.00 0.00 C ATOM 447 CD1 ILE A 30 2.984 5.322 -0.073 1.00 0.00 C ATOM 0 H ILE A 30 4.085 6.803 3.464 1.00 0.00 H new ATOM 0 HA ILE A 30 4.065 9.297 2.204 1.00 0.00 H new ATOM 0 HB ILE A 30 3.313 8.152 0.212 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.777 5.812 2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.660 6.662 0.959 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.238 6.570 0.083 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.688 8.095 0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.392 6.633 1.855 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.285 4.488 -0.005 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.869 5.813 -1.039 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.004 4.950 0.026 1.00 0.00 H new ATOM 458 N ALA A 31 1.057 8.331 3.136 1.00 0.00 N ATOM 459 CA ALA A 31 -0.298 8.875 3.319 1.00 0.00 C ATOM 460 C ALA A 31 -0.287 10.195 4.116 1.00 0.00 C ATOM 461 O ALA A 31 -1.064 11.113 3.841 1.00 0.00 O ATOM 462 CB ALA A 31 -1.166 7.836 4.038 1.00 0.00 C ATOM 0 H ALA A 31 1.214 7.421 3.570 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.711 9.094 2.334 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.171 8.234 4.176 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.215 6.926 3.440 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.730 7.608 5.010 1.00 0.00 H new ATOM 468 N ASN A 32 0.617 10.307 5.092 1.00 0.00 N ATOM 469 CA ASN A 32 0.747 11.471 5.958 1.00 0.00 C ATOM 470 C ASN A 32 1.234 12.718 5.207 1.00 0.00 C ATOM 471 O ASN A 32 0.586 13.758 5.268 1.00 0.00 O ATOM 472 CB ASN A 32 1.668 11.105 7.125 1.00 0.00 C ATOM 473 CG ASN A 32 1.766 12.228 8.147 1.00 0.00 C ATOM 474 OD1 ASN A 32 0.800 12.580 8.811 1.00 0.00 O ATOM 475 ND2 ASN A 32 2.928 12.820 8.309 1.00 0.00 N ATOM 0 H ASN A 32 1.292 9.572 5.303 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.238 11.739 6.340 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.296 10.203 7.612 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.663 10.874 6.743 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.026 13.574 8.989 1.00 0.00 H new ATOM 0 HD22 ASN A 32 3.732 12.525 7.755 1.00 0.00 H new ATOM 481 N ILE A 33 2.351 12.636 4.482 1.00 0.00 N ATOM 482 CA ILE A 33 2.932 13.800 3.774 1.00 0.00 C ATOM 483 C ILE A 33 1.987 14.321 2.679 1.00 0.00 C ATOM 484 O ILE A 33 1.904 15.523 2.428 1.00 0.00 O ATOM 485 CB ILE A 33 4.294 13.444 3.150 1.00 0.00 C ATOM 486 CG1 ILE A 33 5.249 12.787 4.174 1.00 0.00 C ATOM 487 CG2 ILE A 33 4.990 14.657 2.521 1.00 0.00 C ATOM 488 CD1 ILE A 33 5.702 11.442 3.622 1.00 0.00 C ATOM 0 H ILE A 33 2.882 11.773 4.364 1.00 0.00 H new ATOM 0 HA ILE A 33 3.074 14.586 4.515 1.00 0.00 H new ATOM 0 HB ILE A 33 4.070 12.726 2.361 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.110 13.431 4.356 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.744 12.653 5.130 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.945 14.349 2.096 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.360 15.070 1.734 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.161 15.415 3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.377 10.965 4.333 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.833 10.803 3.462 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.221 11.593 2.675 1.00 0.00 H new ATOM 499 N LEU A 34 1.221 13.421 2.061 1.00 0.00 N ATOM 500 CA LEU A 34 0.198 13.733 1.060 1.00 0.00 C ATOM 501 C LEU A 34 -0.950 14.573 1.635 1.00 0.00 C ATOM 502 O LEU A 34 -1.612 15.309 0.896 1.00 0.00 O ATOM 503 CB LEU A 34 -0.293 12.405 0.450 1.00 0.00 C ATOM 504 CG LEU A 34 0.493 11.920 -0.791 1.00 0.00 C ATOM 505 CD1 LEU A 34 2.007 12.159 -0.733 1.00 0.00 C ATOM 506 CD2 LEU A 34 0.237 10.429 -1.015 1.00 0.00 C ATOM 0 H LEU A 34 1.298 12.421 2.249 1.00 0.00 H new ATOM 0 HA LEU A 34 0.633 14.355 0.278 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.244 11.632 1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.342 12.516 0.175 1.00 0.00 H new ATOM 0 HG LEU A 34 0.121 12.524 -1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.470 11.786 -1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.203 13.227 -0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.426 11.634 0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.793 10.092 -1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.564 9.868 -0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.828 10.263 -1.175 1.00 0.00 H new ATOM 517 N LYS A 35 -1.144 14.548 2.956 1.00 0.00 N ATOM 518 CA LYS A 35 -2.139 15.389 3.639 1.00 0.00 C ATOM 519 C LYS A 35 -1.647 16.821 3.878 1.00 0.00 C ATOM 520 O LYS A 35 -2.453 17.708 4.160 1.00 0.00 O ATOM 521 CB LYS A 35 -2.607 14.673 4.927 1.00 0.00 C ATOM 522 CG LYS A 35 -2.007 15.235 6.229 1.00 0.00 C ATOM 523 CD LYS A 35 -2.095 14.248 7.399 1.00 0.00 C ATOM 524 CE LYS A 35 -3.546 13.978 7.814 1.00 0.00 C ATOM 525 NZ LYS A 35 -3.613 13.076 8.994 1.00 0.00 N ATOM 0 H LYS A 35 -0.616 13.944 3.586 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.003 15.514 2.986 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.694 14.735 4.987 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.352 13.616 4.852 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.963 15.497 6.059 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.527 16.155 6.496 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.617 13.309 7.118 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.542 14.645 8.250 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.041 14.921 8.046 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.087 13.530 6.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.608 12.913 9.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.161 12.168 8.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.117 13.515 9.795 1.00 0.00 H new ATOM 535 N GLU A 36 -0.340 17.058 3.753 1.00 0.00 N ATOM 536 CA GLU A 36 0.281 18.360 4.010 1.00 0.00 C ATOM 537 C GLU A 36 0.295 19.253 2.764 1.00 0.00 C ATOM 538 O GLU A 36 0.558 20.455 2.884 1.00 0.00 O ATOM 539 CB GLU A 36 1.713 18.188 4.548 1.00 0.00 C ATOM 540 CG GLU A 36 1.777 17.339 5.824 1.00 0.00 C ATOM 541 CD GLU A 36 3.171 17.420 6.475 1.00 0.00 C ATOM 542 OE1 GLU A 36 4.096 16.690 6.044 1.00 0.00 O ATOM 543 OE2 GLU A 36 3.353 18.217 7.429 1.00 0.00 O ATOM 0 H GLU A 36 0.327 16.341 3.466 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.329 18.854 4.766 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.331 17.725 3.779 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.139 19.170 4.750 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.022 17.682 6.531 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.543 16.301 5.586 1.00 0.00 H new ATOM 548 N LYS A 37 0.000 18.696 1.574 1.00 0.00 N ATOM 549 CA LYS A 37 0.122 19.418 0.296 1.00 0.00 C ATOM 550 C LYS A 37 -1.134 19.414 -0.581 1.00 0.00 C ATOM 551 O LYS A 37 -1.318 20.371 -1.337 1.00 0.00 O ATOM 552 CB LYS A 37 1.390 18.955 -0.428 1.00 0.00 C ATOM 553 CG LYS A 37 1.371 17.456 -0.756 1.00 0.00 C ATOM 554 CD LYS A 37 2.717 17.020 -1.352 1.00 0.00 C ATOM 555 CE LYS A 37 3.725 16.839 -0.219 1.00 0.00 C ATOM 556 NZ LYS A 37 5.118 16.742 -0.725 1.00 0.00 N ATOM 0 H LYS A 37 -0.329 17.736 1.473 1.00 0.00 H new ATOM 0 HA LYS A 37 0.222 20.477 0.532 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.504 19.523 -1.351 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.259 19.176 0.192 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.164 16.882 0.147 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.568 17.242 -1.461 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.600 16.088 -1.905 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.076 17.767 -2.060 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.648 17.678 0.473 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.480 15.938 0.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.770 16.620 0.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.199 15.926 -1.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.361 17.612 -1.240 1.00 0.00 H new ATOM 566 N GLY A 38 -2.055 18.453 -0.418 1.00 0.00 N ATOM 567 CA GLY A 38 -3.464 18.699 -0.755 1.00 0.00 C ATOM 568 C GLY A 38 -4.326 17.462 -0.981 1.00 0.00 C ATOM 569 O GLY A 38 -5.501 17.598 -1.327 1.00 0.00 O ATOM 0 H GLY A 38 -1.856 17.518 -0.063 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.911 19.287 0.047 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.499 19.311 -1.656 1.00 0.00 H new ATOM 573 N PHE A 39 -3.765 16.259 -0.824 1.00 0.00 N ATOM 574 CA PHE A 39 -4.427 15.028 -1.245 1.00 0.00 C ATOM 575 C PHE A 39 -5.307 14.447 -0.144 1.00 0.00 C ATOM 576 O PHE A 39 -6.362 13.868 -0.424 1.00 0.00 O ATOM 577 CB PHE A 39 -3.366 14.023 -1.704 1.00 0.00 C ATOM 578 CG PHE A 39 -2.420 14.615 -2.727 1.00 0.00 C ATOM 579 CD1 PHE A 39 -2.899 14.937 -4.011 1.00 0.00 C ATOM 580 CD2 PHE A 39 -1.091 14.925 -2.376 1.00 0.00 C ATOM 581 CE1 PHE A 39 -2.057 15.562 -4.944 1.00 0.00 C ATOM 582 CE2 PHE A 39 -0.248 15.536 -3.322 1.00 0.00 C ATOM 583 CZ PHE A 39 -0.727 15.861 -4.603 1.00 0.00 C ATOM 0 H PHE A 39 -2.846 16.115 -0.405 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.093 15.255 -2.077 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.796 13.680 -0.841 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.857 13.148 -2.130 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.918 14.702 -4.279 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.722 14.695 -1.387 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.432 15.813 -5.925 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.777 15.757 -3.062 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.076 16.338 -5.321 1.00 0.00 H new ATOM 592 N LYS A 40 -4.849 14.614 1.109 1.00 0.00 N ATOM 593 CA LYS A 40 -5.346 14.029 2.367 1.00 0.00 C ATOM 594 C LYS A 40 -6.047 12.684 2.151 1.00 0.00 C ATOM 595 O LYS A 40 -7.201 12.475 2.527 1.00 0.00 O ATOM 596 CB LYS A 40 -6.125 15.074 3.188 1.00 0.00 C ATOM 597 CG LYS A 40 -7.157 15.870 2.374 1.00 0.00 C ATOM 598 CD LYS A 40 -8.302 16.390 3.252 1.00 0.00 C ATOM 599 CE LYS A 40 -9.232 15.238 3.651 1.00 0.00 C ATOM 600 NZ LYS A 40 -10.216 15.657 4.680 1.00 0.00 N ATOM 0 H LYS A 40 -4.046 15.219 1.283 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.496 13.761 2.994 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.636 14.569 4.007 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.416 15.770 3.636 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.664 16.710 1.886 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.563 15.237 1.585 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.897 16.866 4.145 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.866 17.151 2.713 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.760 14.875 2.769 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.639 14.407 4.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.827 14.852 4.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.712 15.980 5.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.799 16.433 4.307 1.00 0.00 H new ATOM 610 N VAL A 41 -5.305 11.800 1.486 1.00 0.00 N ATOM 611 CA VAL A 41 -5.595 10.364 1.320 1.00 0.00 C ATOM 612 C VAL A 41 -4.986 9.591 2.510 1.00 0.00 C ATOM 613 O VAL A 41 -3.912 9.926 3.014 1.00 0.00 O ATOM 614 CB VAL A 41 -5.108 9.846 -0.058 1.00 0.00 C ATOM 615 CG1 VAL A 41 -3.625 10.185 -0.288 1.00 0.00 C ATOM 616 CG2 VAL A 41 -5.217 8.328 -0.227 1.00 0.00 C ATOM 0 H VAL A 41 -4.439 12.073 1.022 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.672 10.198 1.327 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.765 10.342 -0.772 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.313 9.809 -1.262 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.490 11.266 -0.256 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.021 9.720 0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.857 8.045 -1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.614 7.833 0.534 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.258 8.024 -0.119 1.00 0.00 H new ATOM 626 N ALA A 42 -5.684 8.565 2.975 1.00 0.00 N ATOM 627 CA ALA A 42 -5.340 7.612 4.018 1.00 0.00 C ATOM 628 C ALA A 42 -4.545 6.404 3.499 1.00 0.00 C ATOM 629 O ALA A 42 -4.410 6.121 2.304 1.00 0.00 O ATOM 630 CB ALA A 42 -6.633 7.132 4.691 1.00 0.00 C ATOM 0 H ALA A 42 -6.605 8.359 2.588 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.692 8.124 4.729 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.390 6.416 5.476 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.155 7.984 5.126 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.273 6.654 3.950 1.00 0.00 H new ATOM 636 N ARG A 43 -4.042 5.637 4.459 1.00 0.00 N ATOM 637 CA ARG A 43 -3.115 4.529 4.264 1.00 0.00 C ATOM 638 C ARG A 43 -3.685 3.365 3.460 1.00 0.00 C ATOM 639 O ARG A 43 -2.927 2.696 2.765 1.00 0.00 O ATOM 640 CB ARG A 43 -2.572 4.136 5.647 1.00 0.00 C ATOM 641 CG ARG A 43 -1.696 2.877 5.644 1.00 0.00 C ATOM 642 CD ARG A 43 -2.504 1.611 5.964 1.00 0.00 C ATOM 643 NE ARG A 43 -1.773 0.413 5.537 1.00 0.00 N ATOM 644 CZ ARG A 43 -2.243 -0.804 5.380 1.00 0.00 C ATOM 645 NH1 ARG A 43 -3.426 -1.135 5.804 1.00 0.00 N ATOM 646 NH2 ARG A 43 -1.515 -1.697 4.784 1.00 0.00 N ATOM 0 H ARG A 43 -4.281 5.777 5.441 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.291 4.854 3.628 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.992 4.968 6.047 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.412 3.979 6.324 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.223 2.768 4.668 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.896 2.991 6.376 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.703 1.560 7.034 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.470 1.653 5.462 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.781 0.540 5.338 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.012 -0.443 6.271 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.768 -2.087 5.670 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.586 -1.452 4.442 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.872 -2.644 4.658 1.00 0.00 H new ATOM 657 N ARG A 44 -4.997 3.118 3.489 1.00 0.00 N ATOM 658 CA ARG A 44 -5.579 1.939 2.809 1.00 0.00 C ATOM 659 C ARG A 44 -5.554 2.110 1.296 1.00 0.00 C ATOM 660 O ARG A 44 -5.334 1.157 0.547 1.00 0.00 O ATOM 661 CB ARG A 44 -7.012 1.678 3.310 1.00 0.00 C ATOM 662 CG ARG A 44 -7.231 0.232 3.798 1.00 0.00 C ATOM 663 CD ARG A 44 -7.388 -0.813 2.677 1.00 0.00 C ATOM 664 NE ARG A 44 -6.127 -1.102 1.968 1.00 0.00 N ATOM 665 CZ ARG A 44 -5.177 -1.965 2.279 1.00 0.00 C ATOM 666 NH1 ARG A 44 -5.242 -2.757 3.302 1.00 0.00 N ATOM 667 NH2 ARG A 44 -4.105 -2.048 1.549 1.00 0.00 N ATOM 0 H ARG A 44 -5.678 3.707 3.969 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.967 1.071 3.054 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.237 2.367 4.124 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.716 1.894 2.506 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.389 -0.055 4.427 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.122 0.207 4.426 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.777 -1.738 3.104 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.127 -0.457 1.959 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.966 -0.560 1.119 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.057 -2.733 3.914 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.478 -3.405 3.495 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.996 -1.446 0.733 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.373 -2.716 1.792 1.00 0.00 H new ATOM 678 N THR A 45 -5.747 3.340 0.849 1.00 0.00 N ATOM 679 CA THR A 45 -5.816 3.735 -0.543 1.00 0.00 C ATOM 680 C THR A 45 -4.417 3.784 -1.098 1.00 0.00 C ATOM 681 O THR A 45 -4.115 3.196 -2.136 1.00 0.00 O ATOM 682 CB THR A 45 -6.413 5.140 -0.598 1.00 0.00 C ATOM 683 OG1 THR A 45 -7.483 5.223 0.309 1.00 0.00 O ATOM 684 CG2 THR A 45 -6.880 5.474 -2.002 1.00 0.00 C ATOM 0 H THR A 45 -5.866 4.130 1.484 1.00 0.00 H new ATOM 0 HA THR A 45 -6.421 3.033 -1.117 1.00 0.00 H new ATOM 0 HB THR A 45 -5.646 5.864 -0.322 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.868 6.124 0.279 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.301 6.479 -2.016 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.034 5.425 -2.688 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.641 4.758 -2.313 1.00 0.00 H new ATOM 692 N VAL A 46 -3.540 4.454 -0.348 1.00 0.00 N ATOM 693 CA VAL A 46 -2.174 4.682 -0.765 1.00 0.00 C ATOM 694 C VAL A 46 -1.401 3.352 -0.860 1.00 0.00 C ATOM 695 O VAL A 46 -0.528 3.188 -1.715 1.00 0.00 O ATOM 696 CB VAL A 46 -1.522 5.722 0.163 1.00 0.00 C ATOM 697 CG1 VAL A 46 -0.686 5.097 1.271 1.00 0.00 C ATOM 698 CG2 VAL A 46 -0.628 6.678 -0.620 1.00 0.00 C ATOM 0 H VAL A 46 -3.767 4.850 0.564 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.151 5.100 -1.771 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.354 6.260 0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.254 5.884 1.889 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.318 4.457 1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.114 4.501 0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.182 7.401 0.063 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.161 6.114 -1.117 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.223 7.204 -1.366 1.00 0.00 H new ATOM 708 N ALA A 47 -1.771 2.376 -0.015 1.00 0.00 N ATOM 709 CA ALA A 47 -1.205 1.037 0.056 1.00 0.00 C ATOM 710 C ALA A 47 -1.576 0.202 -1.174 1.00 0.00 C ATOM 711 O ALA A 47 -0.734 -0.481 -1.757 1.00 0.00 O ATOM 712 CB ALA A 47 -1.726 0.344 1.321 1.00 0.00 C ATOM 0 H ALA A 47 -2.514 2.517 0.670 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.119 1.123 0.086 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.308 -0.661 1.384 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.428 0.917 2.199 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.814 0.282 1.280 1.00 0.00 H new ATOM 718 N LYS A 48 -2.847 0.280 -1.588 1.00 0.00 N ATOM 719 CA LYS A 48 -3.329 -0.350 -2.819 1.00 0.00 C ATOM 720 C LYS A 48 -2.733 0.284 -4.079 1.00 0.00 C ATOM 721 O LYS A 48 -2.601 -0.391 -5.099 1.00 0.00 O ATOM 722 CB LYS A 48 -4.867 -0.332 -2.837 1.00 0.00 C ATOM 723 CG LYS A 48 -5.426 -1.482 -1.982 1.00 0.00 C ATOM 724 CD LYS A 48 -6.914 -1.767 -2.229 1.00 0.00 C ATOM 725 CE LYS A 48 -7.830 -0.687 -1.653 1.00 0.00 C ATOM 726 NZ LYS A 48 -9.254 -1.025 -1.903 1.00 0.00 N ATOM 0 H LYS A 48 -3.571 0.784 -1.075 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.988 -1.385 -2.826 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.230 0.623 -2.457 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.226 -0.424 -3.862 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.853 -2.387 -2.186 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.281 -1.244 -0.928 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.090 -1.851 -3.301 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.173 -2.729 -1.787 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.656 -0.588 -0.581 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.594 0.277 -2.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.862 -0.281 -1.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.419 -1.097 -2.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.479 -1.934 -1.452 1.00 0.00 H new ATOM 736 N TYR A 49 -2.326 1.552 -4.008 1.00 0.00 N ATOM 737 CA TYR A 49 -1.775 2.292 -5.144 1.00 0.00 C ATOM 738 C TYR A 49 -0.314 1.954 -5.412 1.00 0.00 C ATOM 739 O TYR A 49 0.012 1.622 -6.552 1.00 0.00 O ATOM 740 CB TYR A 49 -2.005 3.797 -4.983 1.00 0.00 C ATOM 741 CG TYR A 49 -3.354 4.232 -5.529 1.00 0.00 C ATOM 742 CD1 TYR A 49 -4.520 3.480 -5.273 1.00 0.00 C ATOM 743 CD2 TYR A 49 -3.430 5.377 -6.341 1.00 0.00 C ATOM 744 CE1 TYR A 49 -5.753 3.871 -5.824 1.00 0.00 C ATOM 745 CE2 TYR A 49 -4.656 5.764 -6.914 1.00 0.00 C ATOM 746 CZ TYR A 49 -5.819 5.007 -6.659 1.00 0.00 C ATOM 747 OH TYR A 49 -7.009 5.372 -7.197 1.00 0.00 O ATOM 0 H TYR A 49 -2.370 2.101 -3.149 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.319 1.970 -6.032 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.939 4.062 -3.928 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.214 4.341 -5.498 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.465 2.599 -4.650 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.542 5.963 -6.526 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.647 3.304 -5.609 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.706 6.638 -7.547 1.00 0.00 H new ATOM 0 HH TYR A 49 -6.887 6.174 -7.746 1.00 0.00 H new ATOM 756 N ARG A 50 0.558 1.913 -4.393 1.00 0.00 N ATOM 757 CA ARG A 50 1.925 1.383 -4.592 1.00 0.00 C ATOM 758 C ARG A 50 1.909 -0.007 -5.248 1.00 0.00 C ATOM 759 O ARG A 50 2.763 -0.291 -6.085 1.00 0.00 O ATOM 760 CB ARG A 50 2.764 1.428 -3.298 1.00 0.00 C ATOM 761 CG ARG A 50 2.146 0.691 -2.109 1.00 0.00 C ATOM 762 CD ARG A 50 3.147 0.465 -0.965 1.00 0.00 C ATOM 763 NE ARG A 50 2.483 -0.121 0.216 1.00 0.00 N ATOM 764 CZ ARG A 50 1.892 -1.299 0.282 1.00 0.00 C ATOM 765 NH1 ARG A 50 2.060 -2.231 -0.603 1.00 0.00 N ATOM 766 NH2 ARG A 50 1.086 -1.601 1.251 1.00 0.00 N ATOM 0 H ARG A 50 0.354 2.230 -3.445 1.00 0.00 H new ATOM 0 HA ARG A 50 2.427 2.048 -5.295 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.746 1.000 -3.503 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.922 2.470 -3.020 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.296 1.262 -1.735 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.760 -0.272 -2.444 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.946 -0.196 -1.302 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.611 1.413 -0.692 1.00 0.00 H new ATOM 0 HE ARG A 50 2.481 0.441 1.067 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.675 -2.072 -1.401 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.577 -3.124 -0.501 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.895 -0.921 1.987 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.642 -2.519 1.278 1.00 0.00 H new ATOM 777 N GLU A 51 0.875 -0.807 -4.976 1.00 0.00 N ATOM 778 CA GLU A 51 0.683 -2.151 -5.542 1.00 0.00 C ATOM 779 C GLU A 51 0.154 -2.167 -6.992 1.00 0.00 C ATOM 780 O GLU A 51 0.393 -3.146 -7.703 1.00 0.00 O ATOM 781 CB GLU A 51 -0.253 -2.965 -4.627 1.00 0.00 C ATOM 782 CG GLU A 51 0.513 -3.801 -3.593 1.00 0.00 C ATOM 783 CD GLU A 51 1.156 -5.044 -4.242 1.00 0.00 C ATOM 784 OE1 GLU A 51 0.440 -6.055 -4.461 1.00 0.00 O ATOM 785 OE2 GLU A 51 2.370 -5.020 -4.559 1.00 0.00 O ATOM 0 H GLU A 51 0.126 -0.534 -4.339 1.00 0.00 H new ATOM 0 HA GLU A 51 1.673 -2.604 -5.589 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.930 -2.286 -4.110 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.869 -3.625 -5.238 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.287 -3.189 -3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.166 -4.113 -2.799 1.00 0.00 H new ATOM 790 N MET A 52 -0.524 -1.109 -7.461 1.00 0.00 N ATOM 791 CA MET A 52 -1.014 -1.003 -8.849 1.00 0.00 C ATOM 792 C MET A 52 -0.022 -0.281 -9.779 1.00 0.00 C ATOM 793 O MET A 52 -0.004 -0.554 -10.983 1.00 0.00 O ATOM 794 CB MET A 52 -2.424 -0.379 -8.898 1.00 0.00 C ATOM 795 CG MET A 52 -2.456 1.154 -8.912 1.00 0.00 C ATOM 796 SD MET A 52 -4.099 1.898 -8.710 1.00 0.00 S ATOM 797 CE MET A 52 -4.864 1.461 -10.297 1.00 0.00 C ATOM 0 H MET A 52 -0.751 -0.297 -6.887 1.00 0.00 H new ATOM 0 HA MET A 52 -1.093 -2.019 -9.235 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.936 -0.746 -9.787 1.00 0.00 H new ATOM 0 HB3 MET A 52 -2.991 -0.731 -8.036 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.809 1.522 -8.116 1.00 0.00 H new ATOM 0 HG3 MET A 52 -2.032 1.501 -9.854 1.00 0.00 H new ATOM 0 HE1 MET A 52 -5.882 1.849 -10.329 1.00 0.00 H new ATOM 0 HE2 MET A 52 -4.285 1.895 -11.112 1.00 0.00 H new ATOM 0 HE3 MET A 52 -4.885 0.376 -10.404 1.00 0.00 H new ATOM 805 N LEU A 53 0.818 0.610 -9.235 1.00 0.00 N ATOM 806 CA LEU A 53 1.924 1.257 -9.938 1.00 0.00 C ATOM 807 C LEU A 53 3.095 0.278 -10.163 1.00 0.00 C ATOM 808 O LEU A 53 3.294 -0.186 -11.291 1.00 0.00 O ATOM 809 CB LEU A 53 2.352 2.526 -9.177 1.00 0.00 C ATOM 810 CG LEU A 53 1.442 3.748 -9.453 1.00 0.00 C ATOM 811 CD1 LEU A 53 0.392 3.980 -8.362 1.00 0.00 C ATOM 812 CD2 LEU A 53 2.312 4.995 -9.575 1.00 0.00 C ATOM 0 H LEU A 53 0.740 0.907 -8.262 1.00 0.00 H new ATOM 0 HA LEU A 53 1.589 1.560 -10.930 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.351 2.316 -8.107 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.377 2.777 -9.452 1.00 0.00 H new ATOM 0 HG LEU A 53 0.903 3.543 -10.378 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.212 4.851 -8.617 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.251 3.103 -8.283 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.890 4.151 -7.408 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.680 5.862 -9.770 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.861 5.148 -8.646 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.017 4.868 -10.397 1.00 0.00 H new ATOM 823 N GLY A 54 3.871 -0.044 -9.119 1.00 0.00 N ATOM 824 CA GLY A 54 4.994 -0.991 -9.236 1.00 0.00 C ATOM 825 C GLY A 54 5.880 -1.225 -8.002 1.00 0.00 C ATOM 826 O GLY A 54 6.976 -1.772 -8.149 1.00 0.00 O ATOM 0 H GLY A 54 3.743 0.337 -8.181 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.586 -1.955 -9.540 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.636 -0.647 -10.046 1.00 0.00 H new ATOM 830 N ILE A 55 5.460 -0.814 -6.801 1.00 0.00 N ATOM 831 CA ILE A 55 6.247 -0.851 -5.556 1.00 0.00 C ATOM 832 C ILE A 55 5.672 -1.869 -4.544 1.00 0.00 C ATOM 833 O ILE A 55 4.493 -1.777 -4.187 1.00 0.00 O ATOM 834 CB ILE A 55 6.334 0.573 -4.972 1.00 0.00 C ATOM 835 CG1 ILE A 55 7.275 1.439 -5.840 1.00 0.00 C ATOM 836 CG2 ILE A 55 6.834 0.573 -3.518 1.00 0.00 C ATOM 837 CD1 ILE A 55 6.853 2.910 -5.828 1.00 0.00 C ATOM 0 H ILE A 55 4.525 -0.430 -6.660 1.00 0.00 H new ATOM 0 HA ILE A 55 7.256 -1.196 -5.780 1.00 0.00 H new ATOM 0 HB ILE A 55 5.327 0.990 -4.978 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.297 1.349 -5.471 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.272 1.067 -6.864 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.879 1.598 -3.149 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.150 -0.006 -2.898 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.828 0.128 -3.475 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.536 3.490 -6.448 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.840 3.001 -6.221 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.881 3.288 -4.806 1.00 0.00 H new ATOM 848 N PRO A 56 6.493 -2.812 -4.034 1.00 0.00 N ATOM 849 CA PRO A 56 6.111 -3.749 -2.976 1.00 0.00 C ATOM 850 C PRO A 56 5.935 -3.005 -1.640 1.00 0.00 C ATOM 851 O PRO A 56 4.816 -2.807 -1.170 1.00 0.00 O ATOM 852 CB PRO A 56 7.208 -4.819 -2.967 1.00 0.00 C ATOM 853 CG PRO A 56 8.447 -4.107 -3.514 1.00 0.00 C ATOM 854 CD PRO A 56 7.895 -2.989 -4.391 1.00 0.00 C ATOM 0 HA PRO A 56 5.145 -4.225 -3.145 1.00 0.00 H new ATOM 0 HB2 PRO A 56 7.382 -5.200 -1.961 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.935 -5.672 -3.588 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.064 -3.710 -2.708 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.074 -4.789 -4.089 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.452 -2.065 -4.232 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.994 -3.244 -5.446 1.00 0.00 H new ATOM 859 N SER A 57 7.048 -2.544 -1.065 1.00 0.00 N ATOM 860 CA SER A 57 7.151 -1.706 0.147 1.00 0.00 C ATOM 861 C SER A 57 8.250 -0.633 0.055 1.00 0.00 C ATOM 862 O SER A 57 8.414 0.198 0.950 1.00 0.00 O ATOM 863 CB SER A 57 7.457 -2.606 1.351 1.00 0.00 C ATOM 864 OG SER A 57 8.734 -3.208 1.201 1.00 0.00 O ATOM 0 H SER A 57 7.966 -2.757 -1.455 1.00 0.00 H new ATOM 0 HA SER A 57 6.197 -1.190 0.255 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.429 -2.019 2.269 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.692 -3.377 1.442 1.00 0.00 H new ATOM 0 HG SER A 57 8.920 -3.779 1.976 1.00 0.00 H new ATOM 869 N SER A 58 9.046 -0.692 -1.017 1.00 0.00 N ATOM 870 CA SER A 58 10.372 -0.080 -1.209 1.00 0.00 C ATOM 871 C SER A 58 11.447 -0.459 -0.178 1.00 0.00 C ATOM 872 O SER A 58 12.601 -0.067 -0.353 1.00 0.00 O ATOM 873 CB SER A 58 10.280 1.442 -1.394 1.00 0.00 C ATOM 874 OG SER A 58 9.740 1.739 -2.668 1.00 0.00 O ATOM 0 H SER A 58 8.758 -1.213 -1.845 1.00 0.00 H new ATOM 0 HA SER A 58 10.727 -0.528 -2.137 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.654 1.875 -0.614 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.269 1.890 -1.295 1.00 0.00 H new ATOM 0 HG SER A 58 9.682 2.711 -2.780 1.00 0.00 H new ATOM 879 N ARG A 59 11.148 -1.276 0.842 1.00 0.00 N ATOM 880 CA ARG A 59 12.119 -1.736 1.852 1.00 0.00 C ATOM 881 C ARG A 59 12.910 -2.921 1.324 1.00 0.00 C ATOM 882 O ARG A 59 14.129 -2.971 1.483 1.00 0.00 O ATOM 883 CB ARG A 59 11.403 -2.082 3.171 1.00 0.00 C ATOM 884 CG ARG A 59 10.830 -0.816 3.821 1.00 0.00 C ATOM 885 CD ARG A 59 10.073 -1.127 5.116 1.00 0.00 C ATOM 886 NE ARG A 59 9.658 0.121 5.780 1.00 0.00 N ATOM 887 CZ ARG A 59 10.372 0.904 6.570 1.00 0.00 C ATOM 888 NH1 ARG A 59 11.604 0.635 6.902 1.00 0.00 N ATOM 889 NH2 ARG A 59 9.846 1.991 7.049 1.00 0.00 N ATOM 0 H ARG A 59 10.209 -1.644 0.993 1.00 0.00 H new ATOM 0 HA ARG A 59 12.822 -0.928 2.057 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.601 -2.794 2.980 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.101 -2.564 3.855 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.641 -0.119 4.034 1.00 0.00 H new ATOM 0 HG3 ARG A 59 10.159 -0.320 3.119 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.197 -1.738 4.895 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.707 -1.709 5.785 1.00 0.00 H new ATOM 0 HE ARG A 59 8.698 0.419 5.608 1.00 0.00 H new ATOM 0 HH11 ARG A 59 12.055 -0.209 6.549 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.117 1.269 7.515 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.884 2.238 6.815 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.395 2.597 7.659 1.00 0.00 H new ATOM 900 N GLU A 60 12.229 -3.819 0.613 1.00 0.00 N ATOM 901 CA GLU A 60 12.856 -4.912 -0.134 1.00 0.00 C ATOM 902 C GLU A 60 13.571 -4.444 -1.419 1.00 0.00 C ATOM 903 O GLU A 60 14.483 -5.126 -1.896 1.00 0.00 O ATOM 904 CB GLU A 60 11.864 -6.060 -0.402 1.00 0.00 C ATOM 905 CG GLU A 60 10.450 -5.662 -0.847 1.00 0.00 C ATOM 906 CD GLU A 60 9.689 -6.896 -1.366 1.00 0.00 C ATOM 907 OE1 GLU A 60 9.847 -7.254 -2.560 1.00 0.00 O ATOM 908 OE2 GLU A 60 8.931 -7.523 -0.584 1.00 0.00 O ATOM 0 H GLU A 60 11.212 -3.809 0.538 1.00 0.00 H new ATOM 0 HA GLU A 60 13.643 -5.306 0.509 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.292 -6.707 -1.168 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.779 -6.655 0.507 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.910 -5.217 -0.011 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.507 -4.905 -1.629 1.00 0.00 H new ATOM 913 N ARG A 61 13.222 -3.260 -1.952 1.00 0.00 N ATOM 914 CA ARG A 61 13.978 -2.559 -3.008 1.00 0.00 C ATOM 915 C ARG A 61 15.257 -1.899 -2.473 1.00 0.00 C ATOM 916 O ARG A 61 16.301 -1.978 -3.127 1.00 0.00 O ATOM 917 CB ARG A 61 13.094 -1.504 -3.694 1.00 0.00 C ATOM 918 CG ARG A 61 11.898 -2.131 -4.432 1.00 0.00 C ATOM 919 CD ARG A 61 10.979 -1.083 -5.073 1.00 0.00 C ATOM 920 NE ARG A 61 11.677 -0.260 -6.082 1.00 0.00 N ATOM 921 CZ ARG A 61 11.824 1.054 -6.098 1.00 0.00 C ATOM 922 NH1 ARG A 61 11.352 1.833 -5.169 1.00 0.00 N ATOM 923 NH2 ARG A 61 12.465 1.626 -7.074 1.00 0.00 N ATOM 0 H ARG A 61 12.389 -2.752 -1.655 1.00 0.00 H new ATOM 0 HA ARG A 61 14.277 -3.314 -3.736 1.00 0.00 H new ATOM 0 HB2 ARG A 61 12.728 -0.800 -2.947 1.00 0.00 H new ATOM 0 HB3 ARG A 61 13.696 -0.934 -4.402 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.267 -2.805 -5.205 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.320 -2.734 -3.732 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.132 -1.585 -5.541 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.575 -0.434 -4.296 1.00 0.00 H new ATOM 0 HE ARG A 61 12.097 -0.767 -6.861 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.841 1.435 -4.381 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.493 2.841 -5.229 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.855 1.061 -7.828 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.578 2.640 -7.085 1.00 0.00 H new ATOM 934 N ARG A 62 15.187 -1.251 -1.300 1.00 0.00 N ATOM 935 CA ARG A 62 16.294 -0.563 -0.620 1.00 0.00 C ATOM 936 C ARG A 62 17.393 -1.525 -0.148 1.00 0.00 C ATOM 937 O ARG A 62 18.561 -1.332 -0.502 1.00 0.00 O ATOM 938 CB ARG A 62 15.683 0.247 0.536 1.00 0.00 C ATOM 939 CG ARG A 62 16.694 0.858 1.521 1.00 0.00 C ATOM 940 CD ARG A 62 16.402 0.355 2.937 1.00 0.00 C ATOM 941 NE ARG A 62 17.334 0.950 3.910 1.00 0.00 N ATOM 942 CZ ARG A 62 17.566 0.569 5.150 1.00 0.00 C ATOM 943 NH1 ARG A 62 16.977 -0.461 5.688 1.00 0.00 N ATOM 944 NH2 ARG A 62 18.406 1.238 5.886 1.00 0.00 N ATOM 0 H ARG A 62 14.315 -1.190 -0.775 1.00 0.00 H new ATOM 0 HA ARG A 62 16.802 0.102 -1.318 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.081 1.052 0.114 1.00 0.00 H new ATOM 0 HB3 ARG A 62 15.005 -0.401 1.092 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.709 0.587 1.230 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.634 1.946 1.491 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.377 0.603 3.211 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.485 -0.731 2.965 1.00 0.00 H new ATOM 0 HE ARG A 62 17.866 1.757 3.584 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.307 -1.007 5.145 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.185 -0.722 6.652 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.882 2.054 5.502 1.00 0.00 H new ATOM 0 HH22 ARG A 62 18.588 0.946 6.846 1.00 0.00 H new ATOM 955 N ILE A 63 17.032 -2.497 0.701 1.00 0.00 N ATOM 956 CA ILE A 63 17.961 -3.381 1.441 1.00 0.00 C ATOM 957 C ILE A 63 18.960 -4.147 0.549 1.00 0.00 C ATOM 958 O ILE A 63 18.579 -4.638 -0.540 1.00 0.00 O ATOM 959 CB ILE A 63 17.168 -4.286 2.416 1.00 0.00 C ATOM 960 CG1 ILE A 63 18.041 -4.900 3.534 1.00 0.00 C ATOM 961 CG2 ILE A 63 16.430 -5.414 1.678 1.00 0.00 C ATOM 962 CD1 ILE A 63 18.603 -3.858 4.510 1.00 0.00 C ATOM 963 OXT ILE A 63 20.147 -4.236 0.943 1.00 0.00 O ATOM 0 H ILE A 63 16.053 -2.701 0.903 1.00 0.00 H new ATOM 0 HA ILE A 63 18.613 -2.740 2.035 1.00 0.00 H new ATOM 0 HB ILE A 63 16.443 -3.621 2.886 1.00 0.00 H new ATOM 0 HG12 ILE A 63 17.448 -5.626 4.091 1.00 0.00 H new ATOM 0 HG13 ILE A 63 18.868 -5.446 3.080 1.00 0.00 H new ATOM 0 HG21 ILE A 63 15.886 -6.025 2.398 1.00 0.00 H new ATOM 0 HG22 ILE A 63 15.728 -4.983 0.964 1.00 0.00 H new ATOM 0 HG23 ILE A 63 17.152 -6.035 1.147 1.00 0.00 H new ATOM 0 HD11 ILE A 63 19.206 -4.358 5.268 1.00 0.00 H new ATOM 0 HD12 ILE A 63 19.223 -3.146 3.965 1.00 0.00 H new ATOM 0 HD13 ILE A 63 17.780 -3.329 4.991 1.00 0.00 H new