USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=11 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 Set 1.1: A 32 ASN : amide:sc= 0.824 K(o=1.8,f=-2.7) USER MOD Set 1.2: A 35 LYS NZ :NH3+ -167:sc= 0.957 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 161:sc= 1.13 (180deg=0.857) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 162:sc= 1.24 (180deg=0.942) 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 -94:sc= 1.28 USER MOD Single : A 28 GLN : amide:sc= 0.675 K(o=0.67,f=-0.019) 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= 0.00324 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 -153:sc= -0.023 (180deg=-0.431) USER MOD Single : A 57 SER OG : rot 180:sc= 0.29 USER MOD Single : A 58 SER OG : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 -10.095 12.054 -5.317 1.00 0.00 N ATOM 35 CA LEU A 3 -9.059 12.523 -6.238 1.00 0.00 C ATOM 36 C LEU A 3 -9.361 12.221 -7.713 1.00 0.00 C ATOM 37 O LEU A 3 -10.377 11.612 -8.065 1.00 0.00 O ATOM 38 CB LEU A 3 -7.715 11.915 -5.776 1.00 0.00 C ATOM 39 CG LEU A 3 -7.214 12.455 -4.425 1.00 0.00 C ATOM 40 CD1 LEU A 3 -5.804 11.938 -4.147 1.00 0.00 C ATOM 41 CD2 LEU A 3 -7.156 13.981 -4.426 1.00 0.00 C ATOM 0 HA LEU A 3 -9.017 13.612 -6.199 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.823 10.833 -5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.959 12.111 -6.537 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.912 12.115 -3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.457 12.325 -3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.816 10.849 -4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.132 12.271 -4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.798 14.332 -3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.476 14.319 -5.208 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.152 14.383 -4.612 1.00 0.00 H new ATOM 52 N THR A 4 -8.465 12.701 -8.577 1.00 0.00 N ATOM 53 CA THR A 4 -8.505 12.537 -10.044 1.00 0.00 C ATOM 54 C THR A 4 -8.124 11.116 -10.487 1.00 0.00 C ATOM 55 O THR A 4 -8.037 10.194 -9.669 1.00 0.00 O ATOM 56 CB THR A 4 -7.624 13.589 -10.747 1.00 0.00 C ATOM 57 OG1 THR A 4 -6.268 13.386 -10.424 1.00 0.00 O ATOM 58 CG2 THR A 4 -8.011 15.020 -10.378 1.00 0.00 C ATOM 0 H THR A 4 -7.655 13.238 -8.268 1.00 0.00 H new ATOM 0 HA THR A 4 -9.539 12.698 -10.348 1.00 0.00 H new ATOM 0 HB THR A 4 -7.783 13.462 -11.818 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.719 14.059 -10.878 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.359 15.720 -10.901 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.046 15.203 -10.667 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.905 15.160 -9.302 1.00 0.00 H new ATOM 66 N GLN A 5 -7.888 10.919 -11.790 1.00 0.00 N ATOM 67 CA GLN A 5 -7.377 9.675 -12.379 1.00 0.00 C ATOM 68 C GLN A 5 -6.136 9.100 -11.672 1.00 0.00 C ATOM 69 O GLN A 5 -5.923 7.886 -11.715 1.00 0.00 O ATOM 70 CB GLN A 5 -7.111 9.892 -13.878 1.00 0.00 C ATOM 71 CG GLN A 5 -5.965 10.868 -14.202 1.00 0.00 C ATOM 72 CD GLN A 5 -5.776 11.037 -15.709 1.00 0.00 C ATOM 73 OE1 GLN A 5 -4.887 10.456 -16.321 1.00 0.00 O ATOM 74 NE2 GLN A 5 -6.586 11.840 -16.368 1.00 0.00 N ATOM 0 H GLN A 5 -8.053 11.646 -12.487 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.151 8.921 -12.239 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.887 8.928 -14.335 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.025 10.261 -14.344 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.174 11.838 -13.750 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.039 10.503 -13.758 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.331 12.331 -15.874 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.468 11.971 -17.373 1.00 0.00 H new ATOM 81 N GLY A 6 -5.336 9.939 -11.000 1.00 0.00 N ATOM 82 CA GLY A 6 -4.228 9.481 -10.178 1.00 0.00 C ATOM 83 C GLY A 6 -3.501 10.577 -9.407 1.00 0.00 C ATOM 84 O GLY A 6 -2.274 10.555 -9.390 1.00 0.00 O ATOM 0 H GLY A 6 -5.446 10.953 -11.017 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.603 8.745 -9.467 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.509 8.969 -10.817 1.00 0.00 H new ATOM 88 N GLU A 7 -4.192 11.511 -8.737 1.00 0.00 N ATOM 89 CA GLU A 7 -3.563 12.612 -7.997 1.00 0.00 C ATOM 90 C GLU A 7 -2.685 12.138 -6.829 1.00 0.00 C ATOM 91 O GLU A 7 -1.829 12.882 -6.365 1.00 0.00 O ATOM 92 CB GLU A 7 -4.629 13.622 -7.520 1.00 0.00 C ATOM 93 CG GLU A 7 -4.336 14.998 -8.130 1.00 0.00 C ATOM 94 CD GLU A 7 -5.261 16.126 -7.636 1.00 0.00 C ATOM 95 OE1 GLU A 7 -5.332 16.378 -6.410 1.00 0.00 O ATOM 96 OE2 GLU A 7 -5.878 16.817 -8.484 1.00 0.00 O ATOM 0 H GLU A 7 -5.211 11.522 -8.694 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.889 13.110 -8.693 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.623 13.285 -7.815 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.624 13.686 -6.432 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.304 15.268 -7.907 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.419 14.926 -9.214 1.00 0.00 H new ATOM 101 N LEU A 8 -2.827 10.881 -6.405 1.00 0.00 N ATOM 102 CA LEU A 8 -1.914 10.222 -5.468 1.00 0.00 C ATOM 103 C LEU A 8 -1.034 9.148 -6.144 1.00 0.00 C ATOM 104 O LEU A 8 0.018 8.807 -5.612 1.00 0.00 O ATOM 105 CB LEU A 8 -2.739 9.725 -4.263 1.00 0.00 C ATOM 106 CG LEU A 8 -3.562 8.444 -4.519 1.00 0.00 C ATOM 107 CD1 LEU A 8 -2.837 7.245 -3.898 1.00 0.00 C ATOM 108 CD2 LEU A 8 -4.966 8.475 -3.916 1.00 0.00 C ATOM 0 H LEU A 8 -3.594 10.281 -6.709 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.177 10.934 -5.097 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.062 9.543 -3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.418 10.520 -3.955 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.660 8.368 -5.602 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.415 6.338 -4.076 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.851 7.142 -4.351 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.729 7.401 -2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.479 7.540 -4.140 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.895 8.600 -2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.527 9.307 -4.342 1.00 0.00 H new ATOM 119 N MET A 9 -1.397 8.658 -7.337 1.00 0.00 N ATOM 120 CA MET A 9 -0.684 7.603 -8.080 1.00 0.00 C ATOM 121 C MET A 9 0.648 8.119 -8.604 1.00 0.00 C ATOM 122 O MET A 9 1.715 7.619 -8.251 1.00 0.00 O ATOM 123 CB MET A 9 -1.583 7.026 -9.207 1.00 0.00 C ATOM 124 CG MET A 9 -0.872 6.651 -10.518 1.00 0.00 C ATOM 125 SD MET A 9 -1.655 5.359 -11.522 1.00 0.00 S ATOM 126 CE MET A 9 -3.252 6.137 -11.885 1.00 0.00 C ATOM 0 H MET A 9 -2.223 8.995 -7.831 1.00 0.00 H new ATOM 0 HA MET A 9 -0.459 6.782 -7.399 1.00 0.00 H new ATOM 0 HB2 MET A 9 -2.085 6.138 -8.824 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.358 7.757 -9.435 1.00 0.00 H new ATOM 0 HG2 MET A 9 -0.784 7.550 -11.128 1.00 0.00 H new ATOM 0 HG3 MET A 9 0.141 6.329 -10.277 1.00 0.00 H new ATOM 0 HE1 MET A 9 -3.853 5.465 -12.498 1.00 0.00 H new ATOM 0 HE2 MET A 9 -3.776 6.344 -10.952 1.00 0.00 H new ATOM 0 HE3 MET A 9 -3.088 7.070 -12.424 1.00 0.00 H new ATOM 134 N LYS A 10 0.595 9.130 -9.464 1.00 0.00 N ATOM 135 CA LYS A 10 1.758 9.634 -10.216 1.00 0.00 C ATOM 136 C LYS A 10 2.709 10.504 -9.364 1.00 0.00 C ATOM 137 O LYS A 10 3.546 11.234 -9.897 1.00 0.00 O ATOM 138 CB LYS A 10 1.215 10.296 -11.504 1.00 0.00 C ATOM 139 CG LYS A 10 0.294 11.506 -11.250 1.00 0.00 C ATOM 140 CD LYS A 10 -0.847 11.661 -12.265 1.00 0.00 C ATOM 141 CE LYS A 10 -1.483 13.045 -12.095 1.00 0.00 C ATOM 142 NZ LYS A 10 -2.551 13.279 -13.100 1.00 0.00 N ATOM 0 H LYS A 10 -0.267 9.636 -9.668 1.00 0.00 H new ATOM 0 HA LYS A 10 2.419 8.816 -10.504 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.057 10.616 -12.118 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.667 9.550 -12.080 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.134 11.417 -10.252 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.897 12.414 -11.259 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.466 11.544 -13.280 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.594 10.882 -12.113 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.900 13.135 -11.092 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.716 13.814 -12.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.961 14.224 -12.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.147 13.217 -14.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.294 12.560 -12.991 1.00 0.00 H new ATOM 152 N LEU A 11 2.564 10.425 -8.035 1.00 0.00 N ATOM 153 CA LEU A 11 3.179 11.239 -6.985 1.00 0.00 C ATOM 154 C LEU A 11 3.906 10.357 -5.979 1.00 0.00 C ATOM 155 O LEU A 11 5.033 10.675 -5.608 1.00 0.00 O ATOM 156 CB LEU A 11 2.110 12.057 -6.222 1.00 0.00 C ATOM 157 CG LEU A 11 1.425 13.217 -6.959 1.00 0.00 C ATOM 158 CD1 LEU A 11 2.448 14.230 -7.465 1.00 0.00 C ATOM 159 CD2 LEU A 11 0.597 12.736 -8.144 1.00 0.00 C ATOM 0 H LEU A 11 1.951 9.717 -7.631 1.00 0.00 H new ATOM 0 HA LEU A 11 3.884 11.914 -7.471 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.334 11.366 -5.893 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.578 12.462 -5.325 1.00 0.00 H new ATOM 0 HG LEU A 11 0.763 13.688 -6.232 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.933 15.040 -7.982 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.006 14.636 -6.621 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.136 13.739 -8.153 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.132 13.591 -8.634 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.243 12.219 -8.853 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.177 12.053 -7.794 1.00 0.00 H new ATOM 170 N ILE A 12 3.307 9.234 -5.557 1.00 0.00 N ATOM 171 CA ILE A 12 3.917 8.363 -4.542 1.00 0.00 C ATOM 172 C ILE A 12 5.294 7.862 -4.985 1.00 0.00 C ATOM 173 O ILE A 12 6.225 7.819 -4.183 1.00 0.00 O ATOM 174 CB ILE A 12 3.011 7.173 -4.168 1.00 0.00 C ATOM 175 CG1 ILE A 12 2.414 6.424 -5.380 1.00 0.00 C ATOM 176 CG2 ILE A 12 1.883 7.633 -3.239 1.00 0.00 C ATOM 177 CD1 ILE A 12 2.374 4.918 -5.108 1.00 0.00 C ATOM 0 H ILE A 12 2.404 8.908 -5.901 1.00 0.00 H new ATOM 0 HA ILE A 12 4.042 8.976 -3.650 1.00 0.00 H new ATOM 0 HB ILE A 12 3.660 6.461 -3.658 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.408 6.790 -5.583 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.011 6.624 -6.270 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.252 6.782 -2.984 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.310 8.054 -2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.283 8.391 -3.743 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.951 4.404 -5.971 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.385 4.554 -4.928 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.757 4.723 -4.231 1.00 0.00 H new ATOM 188 N LYS A 13 5.457 7.556 -6.276 1.00 0.00 N ATOM 189 CA LYS A 13 6.743 7.068 -6.818 1.00 0.00 C ATOM 190 C LYS A 13 7.740 8.189 -7.135 1.00 0.00 C ATOM 191 O LYS A 13 8.943 7.963 -7.202 1.00 0.00 O ATOM 192 CB LYS A 13 6.479 6.116 -8.000 1.00 0.00 C ATOM 193 CG LYS A 13 5.629 6.663 -9.162 1.00 0.00 C ATOM 194 CD LYS A 13 6.438 7.392 -10.245 1.00 0.00 C ATOM 195 CE LYS A 13 5.490 7.897 -11.340 1.00 0.00 C ATOM 196 NZ LYS A 13 6.211 8.643 -12.405 1.00 0.00 N ATOM 0 H LYS A 13 4.716 7.636 -6.972 1.00 0.00 H new ATOM 0 HA LYS A 13 7.246 6.498 -6.037 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.442 5.802 -8.403 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.989 5.223 -7.613 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.089 5.836 -9.623 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.882 7.347 -8.760 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.982 8.228 -9.806 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.180 6.719 -10.674 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.965 7.051 -11.783 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.734 8.543 -10.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.620 8.686 -13.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.414 9.608 -12.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.104 8.157 -12.625 1.00 0.00 H new ATOM 206 N GLU A 14 7.251 9.418 -7.262 1.00 0.00 N ATOM 207 CA GLU A 14 7.960 10.584 -7.797 1.00 0.00 C ATOM 208 C GLU A 14 8.374 11.581 -6.703 1.00 0.00 C ATOM 209 O GLU A 14 9.223 12.442 -6.941 1.00 0.00 O ATOM 210 CB GLU A 14 7.077 11.236 -8.876 1.00 0.00 C ATOM 211 CG GLU A 14 7.887 12.085 -9.868 1.00 0.00 C ATOM 212 CD GLU A 14 7.103 12.314 -11.172 1.00 0.00 C ATOM 213 OE1 GLU A 14 6.944 11.340 -11.951 1.00 0.00 O ATOM 214 OE2 GLU A 14 6.674 13.464 -11.441 1.00 0.00 O ATOM 0 H GLU A 14 6.297 9.644 -6.980 1.00 0.00 H new ATOM 0 HA GLU A 14 8.898 10.255 -8.244 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.542 10.458 -9.421 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.326 11.863 -8.396 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.132 13.045 -9.414 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.831 11.588 -10.090 1.00 0.00 H new ATOM 219 N ILE A 15 7.845 11.419 -5.483 1.00 0.00 N ATOM 220 CA ILE A 15 8.383 12.016 -4.262 1.00 0.00 C ATOM 221 C ILE A 15 9.309 11.003 -3.585 1.00 0.00 C ATOM 222 O ILE A 15 10.446 11.343 -3.277 1.00 0.00 O ATOM 223 CB ILE A 15 7.271 12.544 -3.325 1.00 0.00 C ATOM 224 CG1 ILE A 15 6.389 11.434 -2.708 1.00 0.00 C ATOM 225 CG2 ILE A 15 6.402 13.586 -4.053 1.00 0.00 C ATOM 226 CD1 ILE A 15 6.792 11.143 -1.261 1.00 0.00 C ATOM 0 H ILE A 15 7.011 10.855 -5.318 1.00 0.00 H new ATOM 0 HA ILE A 15 8.967 12.900 -4.520 1.00 0.00 H new ATOM 0 HB ILE A 15 7.784 13.016 -2.487 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.343 11.737 -2.742 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.477 10.524 -3.302 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.625 13.947 -3.379 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.025 14.423 -4.369 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.940 13.127 -4.927 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.153 10.358 -0.856 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.831 10.816 -1.232 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.679 12.047 -0.663 1.00 0.00 H new ATOM 237 N VAL A 16 8.901 9.739 -3.407 1.00 0.00 N ATOM 238 CA VAL A 16 9.714 8.786 -2.642 1.00 0.00 C ATOM 239 C VAL A 16 11.049 8.519 -3.335 1.00 0.00 C ATOM 240 O VAL A 16 12.080 8.435 -2.661 1.00 0.00 O ATOM 241 CB VAL A 16 8.973 7.462 -2.395 1.00 0.00 C ATOM 242 CG1 VAL A 16 9.889 6.446 -1.712 1.00 0.00 C ATOM 243 CG2 VAL A 16 7.764 7.657 -1.481 1.00 0.00 C ATOM 0 H VAL A 16 8.029 9.358 -3.775 1.00 0.00 H new ATOM 0 HA VAL A 16 9.907 9.246 -1.673 1.00 0.00 H new ATOM 0 HB VAL A 16 8.652 7.103 -3.373 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.343 5.517 -1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.754 6.251 -2.347 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.224 6.844 -0.754 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.265 6.700 -1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.094 8.051 -0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.069 8.359 -1.942 1.00 0.00 H new ATOM 253 N GLU A 17 11.067 8.452 -4.673 1.00 0.00 N ATOM 254 CA GLU A 17 12.332 8.225 -5.396 1.00 0.00 C ATOM 255 C GLU A 17 13.132 9.521 -5.624 1.00 0.00 C ATOM 256 O GLU A 17 14.184 9.499 -6.268 1.00 0.00 O ATOM 257 CB GLU A 17 12.122 7.417 -6.688 1.00 0.00 C ATOM 258 CG GLU A 17 11.572 6.013 -6.382 1.00 0.00 C ATOM 259 CD GLU A 17 11.788 5.047 -7.557 1.00 0.00 C ATOM 260 OE1 GLU A 17 11.127 5.186 -8.615 1.00 0.00 O ATOM 261 OE2 GLU A 17 12.630 4.124 -7.421 1.00 0.00 O ATOM 0 H GLU A 17 10.244 8.549 -5.267 1.00 0.00 H new ATOM 0 HA GLU A 17 12.953 7.610 -4.745 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.430 7.947 -7.343 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.067 7.331 -7.224 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.061 5.617 -5.492 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.507 6.081 -6.158 1.00 0.00 H new ATOM 266 N ASN A 18 12.668 10.646 -5.066 1.00 0.00 N ATOM 267 CA ASN A 18 13.309 11.951 -5.136 1.00 0.00 C ATOM 268 C ASN A 18 13.908 12.396 -3.783 1.00 0.00 C ATOM 269 O ASN A 18 14.824 13.221 -3.756 1.00 0.00 O ATOM 270 CB ASN A 18 12.233 12.913 -5.652 1.00 0.00 C ATOM 271 CG ASN A 18 12.708 14.347 -5.755 1.00 0.00 C ATOM 272 OD1 ASN A 18 13.306 14.768 -6.738 1.00 0.00 O ATOM 273 ND2 ASN A 18 12.449 15.140 -4.744 1.00 0.00 N ATOM 0 H ASN A 18 11.799 10.665 -4.533 1.00 0.00 H new ATOM 0 HA ASN A 18 14.169 11.929 -5.805 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.897 12.578 -6.633 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.370 12.871 -4.988 1.00 0.00 H new ATOM 0 HD21 ASN A 18 12.746 16.115 -4.772 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.951 14.782 -3.929 1.00 0.00 H new ATOM 279 N GLU A 19 13.412 11.853 -2.665 1.00 0.00 N ATOM 280 CA GLU A 19 13.774 12.262 -1.304 1.00 0.00 C ATOM 281 C GLU A 19 14.984 11.478 -0.780 1.00 0.00 C ATOM 282 O GLU A 19 16.121 11.939 -0.895 1.00 0.00 O ATOM 283 CB GLU A 19 12.556 12.107 -0.375 1.00 0.00 C ATOM 284 CG GLU A 19 11.392 13.057 -0.675 1.00 0.00 C ATOM 285 CD GLU A 19 11.746 14.533 -0.411 1.00 0.00 C ATOM 286 OE1 GLU A 19 11.856 14.946 0.770 1.00 0.00 O ATOM 287 OE2 GLU A 19 11.917 15.298 -1.392 1.00 0.00 O ATOM 0 H GLU A 19 12.729 11.096 -2.683 1.00 0.00 H new ATOM 0 HA GLU A 19 14.068 13.312 -1.324 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.195 11.081 -0.441 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.879 12.265 0.654 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.092 12.940 -1.716 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.534 12.778 -0.063 1.00 0.00 H new ATOM 292 N ASP A 20 14.752 10.294 -0.208 1.00 0.00 N ATOM 293 CA ASP A 20 15.774 9.451 0.404 1.00 0.00 C ATOM 294 C ASP A 20 15.488 7.968 0.138 1.00 0.00 C ATOM 295 O ASP A 20 14.977 7.241 0.988 1.00 0.00 O ATOM 296 CB ASP A 20 15.897 9.750 1.912 1.00 0.00 C ATOM 297 CG ASP A 20 16.653 11.054 2.198 1.00 0.00 C ATOM 298 OD1 ASP A 20 17.891 11.071 1.995 1.00 0.00 O ATOM 299 OD2 ASP A 20 16.030 12.041 2.660 1.00 0.00 O ATOM 0 H ASP A 20 13.819 9.886 -0.158 1.00 0.00 H new ATOM 0 HA ASP A 20 16.735 9.684 -0.054 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.900 9.810 2.349 1.00 0.00 H new ATOM 0 HB3 ASP A 20 16.410 8.922 2.401 1.00 0.00 H new ATOM 303 N LYS A 21 15.894 7.487 -1.040 1.00 0.00 N ATOM 304 CA LYS A 21 15.965 6.045 -1.349 1.00 0.00 C ATOM 305 C LYS A 21 16.917 5.272 -0.419 1.00 0.00 C ATOM 306 O LYS A 21 16.792 4.056 -0.280 1.00 0.00 O ATOM 307 CB LYS A 21 16.358 5.837 -2.820 1.00 0.00 C ATOM 308 CG LYS A 21 15.226 6.241 -3.779 1.00 0.00 C ATOM 309 CD LYS A 21 15.470 5.781 -5.226 1.00 0.00 C ATOM 310 CE LYS A 21 15.441 4.251 -5.349 1.00 0.00 C ATOM 311 NZ LYS A 21 15.350 3.816 -6.764 1.00 0.00 N ATOM 0 H LYS A 21 16.185 8.084 -1.814 1.00 0.00 H new ATOM 0 HA LYS A 21 14.969 5.636 -1.176 1.00 0.00 H new ATOM 0 HB2 LYS A 21 17.250 6.423 -3.044 1.00 0.00 H new ATOM 0 HB3 LYS A 21 16.615 4.790 -2.982 1.00 0.00 H new ATOM 0 HG2 LYS A 21 14.287 5.817 -3.423 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.113 7.325 -3.763 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.711 6.213 -5.878 1.00 0.00 H new ATOM 0 HD3 LYS A 21 16.435 6.155 -5.569 1.00 0.00 H new ATOM 0 HE2 LYS A 21 16.340 3.832 -4.897 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.591 3.857 -4.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.635 2.819 -6.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.371 3.923 -7.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.980 4.401 -7.348 1.00 0.00 H new ATOM 321 N ARG A 22 17.833 5.980 0.251 1.00 0.00 N ATOM 322 CA ARG A 22 18.710 5.524 1.349 1.00 0.00 C ATOM 323 C ARG A 22 17.993 5.289 2.692 1.00 0.00 C ATOM 324 O ARG A 22 18.448 4.457 3.479 1.00 0.00 O ATOM 325 CB ARG A 22 19.850 6.549 1.516 1.00 0.00 C ATOM 326 CG ARG A 22 19.350 7.978 1.821 1.00 0.00 C ATOM 327 CD ARG A 22 20.498 8.960 2.054 1.00 0.00 C ATOM 328 NE ARG A 22 21.222 9.274 0.807 1.00 0.00 N ATOM 329 CZ ARG A 22 20.891 10.159 -0.118 1.00 0.00 C ATOM 330 NH1 ARG A 22 19.832 10.915 -0.028 1.00 0.00 N ATOM 331 NH2 ARG A 22 21.633 10.302 -1.180 1.00 0.00 N ATOM 0 H ARG A 22 17.997 6.961 0.027 1.00 0.00 H new ATOM 0 HA ARG A 22 19.092 4.543 1.066 1.00 0.00 H new ATOM 0 HB2 ARG A 22 20.507 6.222 2.322 1.00 0.00 H new ATOM 0 HB3 ARG A 22 20.448 6.568 0.605 1.00 0.00 H new ATOM 0 HG2 ARG A 22 18.737 8.330 0.991 1.00 0.00 H new ATOM 0 HG3 ARG A 22 18.710 7.956 2.703 1.00 0.00 H new ATOM 0 HD2 ARG A 22 20.105 9.880 2.486 1.00 0.00 H new ATOM 0 HD3 ARG A 22 21.193 8.539 2.780 1.00 0.00 H new ATOM 0 HE ARG A 22 22.079 8.746 0.639 1.00 0.00 H new ATOM 0 HH11 ARG A 22 19.218 10.838 0.782 1.00 0.00 H new ATOM 0 HH12 ARG A 22 19.618 11.584 -0.768 1.00 0.00 H new ATOM 0 HH21 ARG A 22 22.470 9.731 -1.298 1.00 0.00 H new ATOM 0 HH22 ARG A 22 21.377 10.985 -1.893 1.00 0.00 H new ATOM 342 N LYS A 23 16.891 6.008 2.951 1.00 0.00 N ATOM 343 CA LYS A 23 16.038 5.948 4.162 1.00 0.00 C ATOM 344 C LYS A 23 14.558 6.178 3.767 1.00 0.00 C ATOM 345 O LYS A 23 14.051 7.297 3.911 1.00 0.00 O ATOM 346 CB LYS A 23 16.496 6.968 5.233 1.00 0.00 C ATOM 347 CG LYS A 23 17.722 6.550 6.072 1.00 0.00 C ATOM 348 CD LYS A 23 19.085 7.102 5.617 1.00 0.00 C ATOM 349 CE LYS A 23 19.192 8.636 5.635 1.00 0.00 C ATOM 350 NZ LYS A 23 19.084 9.191 7.009 1.00 0.00 N ATOM 0 H LYS A 23 16.543 6.694 2.281 1.00 0.00 H new ATOM 0 HA LYS A 23 16.136 4.957 4.606 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.723 7.912 4.737 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.662 7.156 5.910 1.00 0.00 H new ATOM 0 HG2 LYS A 23 17.553 6.863 7.102 1.00 0.00 H new ATOM 0 HG3 LYS A 23 17.778 5.461 6.075 1.00 0.00 H new ATOM 0 HD2 LYS A 23 19.862 6.689 6.260 1.00 0.00 H new ATOM 0 HD3 LYS A 23 19.286 6.749 4.606 1.00 0.00 H new ATOM 0 HE2 LYS A 23 20.144 8.937 5.197 1.00 0.00 H new ATOM 0 HE3 LYS A 23 18.406 9.061 5.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 19.162 10.227 6.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 18.165 8.927 7.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 19.849 8.808 7.599 1.00 0.00 H new ATOM 360 N PRO A 24 13.868 5.151 3.234 1.00 0.00 N ATOM 361 CA PRO A 24 12.561 5.293 2.589 1.00 0.00 C ATOM 362 C PRO A 24 11.403 5.518 3.577 1.00 0.00 C ATOM 363 O PRO A 24 11.528 5.315 4.788 1.00 0.00 O ATOM 364 CB PRO A 24 12.369 3.983 1.817 1.00 0.00 C ATOM 365 CG PRO A 24 13.090 2.974 2.707 1.00 0.00 C ATOM 366 CD PRO A 24 14.306 3.765 3.163 1.00 0.00 C ATOM 0 HA PRO A 24 12.545 6.178 1.953 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.315 3.735 1.692 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.806 4.031 0.819 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.472 2.656 3.547 1.00 0.00 H new ATOM 0 HG3 PRO A 24 13.371 2.074 2.159 1.00 0.00 H new ATOM 0 HD2 PRO A 24 14.660 3.416 4.133 1.00 0.00 H new ATOM 0 HD3 PRO A 24 15.133 3.651 2.462 1.00 0.00 H new ATOM 371 N TYR A 25 10.250 5.892 3.022 1.00 0.00 N ATOM 372 CA TYR A 25 8.946 5.943 3.691 1.00 0.00 C ATOM 373 C TYR A 25 8.280 4.546 3.755 1.00 0.00 C ATOM 374 O TYR A 25 8.886 3.524 3.418 1.00 0.00 O ATOM 375 CB TYR A 25 8.060 6.975 2.963 1.00 0.00 C ATOM 376 CG TYR A 25 8.656 8.367 2.846 1.00 0.00 C ATOM 377 CD1 TYR A 25 9.513 8.686 1.774 1.00 0.00 C ATOM 378 CD2 TYR A 25 8.346 9.350 3.804 1.00 0.00 C ATOM 379 CE1 TYR A 25 10.073 9.972 1.663 1.00 0.00 C ATOM 380 CE2 TYR A 25 8.927 10.630 3.717 1.00 0.00 C ATOM 381 CZ TYR A 25 9.792 10.944 2.648 1.00 0.00 C ATOM 382 OH TYR A 25 10.355 12.179 2.565 1.00 0.00 O ATOM 0 H TYR A 25 10.195 6.182 2.046 1.00 0.00 H new ATOM 0 HA TYR A 25 9.080 6.256 4.727 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.845 6.603 1.961 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.107 7.047 3.488 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.742 7.937 1.031 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.661 9.122 4.608 1.00 0.00 H new ATOM 0 HE1 TYR A 25 10.715 10.214 0.829 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.710 11.373 4.470 1.00 0.00 H new ATOM 0 HH TYR A 25 10.056 12.726 3.321 1.00 0.00 H new ATOM 391 N SER A 26 7.015 4.502 4.174 1.00 0.00 N ATOM 392 CA SER A 26 6.113 3.339 4.187 1.00 0.00 C ATOM 393 C SER A 26 4.714 3.789 3.752 1.00 0.00 C ATOM 394 O SER A 26 4.496 4.995 3.587 1.00 0.00 O ATOM 395 CB SER A 26 6.081 2.701 5.582 1.00 0.00 C ATOM 396 OG SER A 26 5.677 3.637 6.566 1.00 0.00 O ATOM 0 H SER A 26 6.556 5.336 4.541 1.00 0.00 H new ATOM 0 HA SER A 26 6.476 2.584 3.490 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.396 1.853 5.581 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.069 2.313 5.830 1.00 0.00 H new ATOM 0 HG SER A 26 6.469 4.049 6.970 1.00 0.00 H new ATOM 401 N ASP A 27 3.748 2.886 3.557 1.00 0.00 N ATOM 402 CA ASP A 27 2.425 3.292 3.055 1.00 0.00 C ATOM 403 C ASP A 27 1.660 4.164 4.074 1.00 0.00 C ATOM 404 O ASP A 27 0.900 5.045 3.680 1.00 0.00 O ATOM 405 CB ASP A 27 1.590 2.116 2.503 1.00 0.00 C ATOM 406 CG ASP A 27 2.284 1.346 1.367 1.00 0.00 C ATOM 407 OD1 ASP A 27 3.145 1.933 0.668 1.00 0.00 O ATOM 408 OD2 ASP A 27 1.904 0.175 1.113 1.00 0.00 O ATOM 0 H ASP A 27 3.850 1.887 3.734 1.00 0.00 H new ATOM 0 HA ASP A 27 2.610 3.928 2.189 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.369 1.425 3.317 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.635 2.498 2.141 1.00 0.00 H new ATOM 412 N GLN A 28 1.909 4.034 5.383 1.00 0.00 N ATOM 413 CA GLN A 28 1.438 5.016 6.365 1.00 0.00 C ATOM 414 C GLN A 28 2.123 6.376 6.155 1.00 0.00 C ATOM 415 O GLN A 28 1.460 7.410 6.072 1.00 0.00 O ATOM 416 CB GLN A 28 1.657 4.466 7.786 1.00 0.00 C ATOM 417 CG GLN A 28 1.416 5.496 8.901 1.00 0.00 C ATOM 418 CD GLN A 28 0.007 6.100 8.907 1.00 0.00 C ATOM 419 OE1 GLN A 28 -0.921 5.570 9.507 1.00 0.00 O ATOM 420 NE2 GLN A 28 -0.215 7.225 8.256 1.00 0.00 N ATOM 0 H GLN A 28 2.434 3.258 5.786 1.00 0.00 H new ATOM 0 HA GLN A 28 0.370 5.183 6.228 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.993 3.616 7.941 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.678 4.092 7.866 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.599 5.021 9.865 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.144 6.301 8.799 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.545 7.681 7.751 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.147 7.640 8.257 1.00 0.00 H new ATOM 427 N GLU A 29 3.450 6.417 6.104 1.00 0.00 N ATOM 428 CA GLU A 29 4.197 7.667 6.043 1.00 0.00 C ATOM 429 C GLU A 29 3.883 8.473 4.778 1.00 0.00 C ATOM 430 O GLU A 29 3.537 9.648 4.902 1.00 0.00 O ATOM 431 CB GLU A 29 5.683 7.361 6.206 1.00 0.00 C ATOM 432 CG GLU A 29 6.034 6.890 7.624 1.00 0.00 C ATOM 433 CD GLU A 29 7.478 6.366 7.676 1.00 0.00 C ATOM 434 OE1 GLU A 29 7.709 5.222 7.214 1.00 0.00 O ATOM 435 OE2 GLU A 29 8.376 7.088 8.177 1.00 0.00 O ATOM 0 H GLU A 29 4.038 5.584 6.104 1.00 0.00 H new ATOM 0 HA GLU A 29 3.886 8.313 6.864 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.973 6.593 5.489 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.263 8.253 5.969 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.915 7.714 8.327 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.345 6.105 7.934 1.00 0.00 H new ATOM 440 N ILE A 30 3.901 7.865 3.586 1.00 0.00 N ATOM 441 CA ILE A 30 3.483 8.550 2.351 1.00 0.00 C ATOM 442 C ILE A 30 2.033 9.023 2.419 1.00 0.00 C ATOM 443 O ILE A 30 1.756 10.145 1.997 1.00 0.00 O ATOM 444 CB ILE A 30 3.782 7.751 1.066 1.00 0.00 C ATOM 445 CG1 ILE A 30 2.902 6.498 0.914 1.00 0.00 C ATOM 446 CG2 ILE A 30 5.277 7.425 1.015 1.00 0.00 C ATOM 447 CD1 ILE A 30 3.326 5.537 -0.209 1.00 0.00 C ATOM 0 H ILE A 30 4.200 6.900 3.448 1.00 0.00 H new ATOM 0 HA ILE A 30 4.108 9.441 2.285 1.00 0.00 H new ATOM 0 HB ILE A 30 3.524 8.373 0.209 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.906 5.953 1.858 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.875 6.814 0.732 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.495 6.860 0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.852 8.351 1.012 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.550 6.831 1.887 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.645 4.686 -0.236 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.293 6.058 -1.166 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.340 5.184 -0.022 1.00 0.00 H new ATOM 458 N ALA A 31 1.120 8.251 3.021 1.00 0.00 N ATOM 459 CA ALA A 31 -0.270 8.692 3.168 1.00 0.00 C ATOM 460 C ALA A 31 -0.380 9.968 4.024 1.00 0.00 C ATOM 461 O ALA A 31 -1.196 10.854 3.749 1.00 0.00 O ATOM 462 CB ALA A 31 -1.100 7.557 3.771 1.00 0.00 C ATOM 0 H ALA A 31 1.316 7.329 3.410 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.659 8.941 2.181 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.135 7.882 3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.061 6.689 3.113 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.697 7.291 4.748 1.00 0.00 H new ATOM 468 N ASN A 32 0.475 10.089 5.042 1.00 0.00 N ATOM 469 CA ASN A 32 0.509 11.221 5.954 1.00 0.00 C ATOM 470 C ASN A 32 0.980 12.516 5.278 1.00 0.00 C ATOM 471 O ASN A 32 0.291 13.530 5.356 1.00 0.00 O ATOM 472 CB ASN A 32 1.385 10.844 7.151 1.00 0.00 C ATOM 473 CG ASN A 32 1.366 11.908 8.232 1.00 0.00 C ATOM 474 OD1 ASN A 32 0.361 12.132 8.894 1.00 0.00 O ATOM 475 ND2 ASN A 32 2.462 12.599 8.447 1.00 0.00 N ATOM 0 H ASN A 32 1.178 9.382 5.255 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.505 11.436 6.292 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.040 9.898 7.568 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.410 10.689 6.814 1.00 0.00 H new ATOM 0 HD21 ASN A 32 2.476 13.323 9.166 1.00 0.00 H new ATOM 0 HD22 ASN A 32 3.299 12.412 7.895 1.00 0.00 H new ATOM 481 N ILE A 33 2.128 12.510 4.595 1.00 0.00 N ATOM 482 CA ILE A 33 2.677 13.726 3.948 1.00 0.00 C ATOM 483 C ILE A 33 1.766 14.226 2.818 1.00 0.00 C ATOM 484 O ILE A 33 1.631 15.431 2.592 1.00 0.00 O ATOM 485 CB ILE A 33 4.085 13.464 3.390 1.00 0.00 C ATOM 486 CG1 ILE A 33 5.024 12.834 4.444 1.00 0.00 C ATOM 487 CG2 ILE A 33 4.740 14.730 2.827 1.00 0.00 C ATOM 488 CD1 ILE A 33 5.627 11.570 3.855 1.00 0.00 C ATOM 0 H ILE A 33 2.704 11.678 4.470 1.00 0.00 H new ATOM 0 HA ILE A 33 2.732 14.497 4.717 1.00 0.00 H new ATOM 0 HB ILE A 33 3.942 12.755 2.574 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.810 13.537 4.719 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.471 12.602 5.354 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.732 14.488 2.446 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.128 15.127 2.017 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.827 15.477 3.616 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.293 11.111 4.585 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.830 10.871 3.601 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.191 11.820 2.956 1.00 0.00 H new ATOM 499 N LEU A 34 1.084 13.305 2.135 1.00 0.00 N ATOM 500 CA LEU A 34 0.095 13.589 1.092 1.00 0.00 C ATOM 501 C LEU A 34 -1.108 14.373 1.627 1.00 0.00 C ATOM 502 O LEU A 34 -1.754 15.112 0.877 1.00 0.00 O ATOM 503 CB LEU A 34 -0.313 12.256 0.436 1.00 0.00 C ATOM 504 CG LEU A 34 0.531 11.837 -0.789 1.00 0.00 C ATOM 505 CD1 LEU A 34 2.028 12.151 -0.676 1.00 0.00 C ATOM 506 CD2 LEU A 34 0.358 10.342 -1.069 1.00 0.00 C ATOM 0 H LEU A 34 1.209 12.306 2.298 1.00 0.00 H new ATOM 0 HA LEU A 34 0.540 14.239 0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.251 11.467 1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.357 12.325 0.131 1.00 0.00 H new ATOM 0 HG LEU A 34 0.149 12.440 -1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.538 11.822 -1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.166 13.225 -0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.445 11.630 0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.959 10.062 -1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.684 9.769 -0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.692 10.129 -1.271 1.00 0.00 H new ATOM 517 N LYS A 35 -1.368 14.298 2.934 1.00 0.00 N ATOM 518 CA LYS A 35 -2.438 15.078 3.579 1.00 0.00 C ATOM 519 C LYS A 35 -2.032 16.528 3.858 1.00 0.00 C ATOM 520 O LYS A 35 -2.897 17.370 4.099 1.00 0.00 O ATOM 521 CB LYS A 35 -2.926 14.322 4.835 1.00 0.00 C ATOM 522 CG LYS A 35 -2.413 14.900 6.167 1.00 0.00 C ATOM 523 CD LYS A 35 -2.531 13.888 7.310 1.00 0.00 C ATOM 524 CE LYS A 35 -2.072 14.538 8.617 1.00 0.00 C ATOM 525 NZ LYS A 35 -1.997 13.550 9.721 1.00 0.00 N ATOM 0 H LYS A 35 -0.848 13.700 3.576 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.276 15.167 2.888 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.016 14.328 4.847 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.614 13.280 4.761 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.372 15.202 6.055 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.980 15.797 6.416 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.562 13.548 7.403 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.923 13.009 7.096 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.094 14.997 8.472 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.762 15.337 8.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.900 14.050 10.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.864 12.976 9.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.174 12.931 9.577 1.00 0.00 H new ATOM 535 N GLU A 36 -0.734 16.830 3.814 1.00 0.00 N ATOM 536 CA GLU A 36 -0.193 18.154 4.126 1.00 0.00 C ATOM 537 C GLU A 36 -0.165 19.072 2.896 1.00 0.00 C ATOM 538 O GLU A 36 0.034 20.282 3.052 1.00 0.00 O ATOM 539 CB GLU A 36 1.217 18.040 4.734 1.00 0.00 C ATOM 540 CG GLU A 36 1.262 17.158 5.990 1.00 0.00 C ATOM 541 CD GLU A 36 2.614 17.298 6.716 1.00 0.00 C ATOM 542 OE1 GLU A 36 3.594 16.613 6.335 1.00 0.00 O ATOM 543 OE2 GLU A 36 2.704 18.097 7.681 1.00 0.00 O ATOM 0 H GLU A 36 -0.017 16.151 3.557 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.861 18.605 4.860 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.897 17.632 3.986 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.580 19.037 4.984 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.453 17.438 6.664 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.100 16.116 5.713 1.00 0.00 H new ATOM 548 N LYS A 37 -0.375 18.525 1.684 1.00 0.00 N ATOM 549 CA LYS A 37 -0.248 19.276 0.422 1.00 0.00 C ATOM 550 C LYS A 37 -1.477 19.220 -0.491 1.00 0.00 C ATOM 551 O LYS A 37 -1.688 20.172 -1.246 1.00 0.00 O ATOM 552 CB LYS A 37 1.063 18.886 -0.269 1.00 0.00 C ATOM 553 CG LYS A 37 1.135 17.392 -0.611 1.00 0.00 C ATOM 554 CD LYS A 37 2.525 17.024 -1.141 1.00 0.00 C ATOM 555 CE LYS A 37 3.485 16.879 0.039 1.00 0.00 C ATOM 556 NZ LYS A 37 4.901 16.830 -0.408 1.00 0.00 N ATOM 0 H LYS A 37 -0.638 17.548 1.553 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.205 20.335 0.674 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.173 19.469 -1.183 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.901 19.146 0.378 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.910 16.800 0.276 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.379 17.148 -1.358 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.478 16.092 -1.705 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.883 17.793 -1.825 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.348 17.716 0.724 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.246 15.971 0.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.523 16.731 0.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.037 16.017 -1.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.136 17.707 -0.915 1.00 0.00 H new ATOM 566 N GLY A 38 -2.354 18.215 -0.353 1.00 0.00 N ATOM 567 CA GLY A 38 -3.771 18.395 -0.703 1.00 0.00 C ATOM 568 C GLY A 38 -4.547 17.116 -0.993 1.00 0.00 C ATOM 569 O GLY A 38 -5.730 17.190 -1.339 1.00 0.00 O ATOM 0 H GLY A 38 -2.114 17.286 -0.008 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.264 18.920 0.115 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.831 19.041 -1.579 1.00 0.00 H new ATOM 573 N PHE A 39 -3.908 15.948 -0.890 1.00 0.00 N ATOM 574 CA PHE A 39 -4.475 14.697 -1.383 1.00 0.00 C ATOM 575 C PHE A 39 -5.375 14.004 -0.360 1.00 0.00 C ATOM 576 O PHE A 39 -6.268 13.244 -0.742 1.00 0.00 O ATOM 577 CB PHE A 39 -3.338 13.767 -1.812 1.00 0.00 C ATOM 578 CG PHE A 39 -2.388 14.425 -2.785 1.00 0.00 C ATOM 579 CD1 PHE A 39 -2.833 14.714 -4.087 1.00 0.00 C ATOM 580 CD2 PHE A 39 -1.096 14.805 -2.379 1.00 0.00 C ATOM 581 CE1 PHE A 39 -1.992 15.388 -4.984 1.00 0.00 C ATOM 582 CE2 PHE A 39 -0.251 15.462 -3.291 1.00 0.00 C ATOM 583 CZ PHE A 39 -0.695 15.760 -4.591 1.00 0.00 C ATOM 0 H PHE A 39 -2.987 15.846 -0.464 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.111 14.936 -2.235 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.784 13.445 -0.930 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.758 12.871 -2.269 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.824 14.416 -4.397 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.756 14.594 -1.376 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.342 15.622 -5.979 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.748 15.740 -2.990 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.043 16.272 -5.284 1.00 0.00 H new ATOM 592 N LYS A 40 -5.121 14.274 0.932 1.00 0.00 N ATOM 593 CA LYS A 40 -5.695 13.695 2.158 1.00 0.00 C ATOM 594 C LYS A 40 -6.132 12.228 2.025 1.00 0.00 C ATOM 595 O LYS A 40 -7.171 11.831 2.553 1.00 0.00 O ATOM 596 CB LYS A 40 -6.761 14.649 2.737 1.00 0.00 C ATOM 597 CG LYS A 40 -7.862 15.020 1.726 1.00 0.00 C ATOM 598 CD LYS A 40 -9.246 15.184 2.365 1.00 0.00 C ATOM 599 CE LYS A 40 -9.802 13.824 2.805 1.00 0.00 C ATOM 600 NZ LYS A 40 -11.142 13.959 3.428 1.00 0.00 N ATOM 0 H LYS A 40 -4.429 14.985 1.168 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.899 13.618 2.898 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.220 14.183 3.609 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.273 15.560 3.083 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.588 15.949 1.227 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.914 14.249 0.958 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.179 15.851 3.225 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.928 15.649 1.653 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.866 13.160 1.943 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.115 13.361 3.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.488 13.021 3.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.076 14.573 4.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.803 14.378 2.743 1.00 0.00 H new ATOM 610 N VAL A 41 -5.319 11.431 1.326 1.00 0.00 N ATOM 611 CA VAL A 41 -5.516 9.979 1.156 1.00 0.00 C ATOM 612 C VAL A 41 -4.916 9.240 2.377 1.00 0.00 C ATOM 613 O VAL A 41 -4.027 9.758 3.058 1.00 0.00 O ATOM 614 CB VAL A 41 -4.967 9.492 -0.205 1.00 0.00 C ATOM 615 CG1 VAL A 41 -3.506 9.923 -0.418 1.00 0.00 C ATOM 616 CG2 VAL A 41 -4.997 7.970 -0.381 1.00 0.00 C ATOM 0 H VAL A 41 -4.487 11.779 0.850 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.580 9.746 1.127 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.635 9.954 -0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.157 9.561 -1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.440 11.011 -0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.884 9.503 0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.596 7.709 -1.360 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.392 7.502 0.396 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.025 7.615 -0.304 1.00 0.00 H new ATOM 626 N ALA A 42 -5.380 8.026 2.662 1.00 0.00 N ATOM 627 CA ALA A 42 -4.971 7.122 3.731 1.00 0.00 C ATOM 628 C ALA A 42 -4.194 5.900 3.209 1.00 0.00 C ATOM 629 O ALA A 42 -4.139 5.599 2.012 1.00 0.00 O ATOM 630 CB ALA A 42 -6.221 6.676 4.501 1.00 0.00 C ATOM 0 H ALA A 42 -6.121 7.613 2.096 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.289 7.659 4.390 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.931 5.999 5.304 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.719 7.549 4.924 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.903 6.163 3.822 1.00 0.00 H new ATOM 636 N ARG A 43 -3.613 5.152 4.149 1.00 0.00 N ATOM 637 CA ARG A 43 -2.694 4.038 3.890 1.00 0.00 C ATOM 638 C ARG A 43 -3.293 2.923 3.052 1.00 0.00 C ATOM 639 O ARG A 43 -2.582 2.309 2.260 1.00 0.00 O ATOM 640 CB ARG A 43 -2.147 3.518 5.227 1.00 0.00 C ATOM 641 CG ARG A 43 -1.084 2.411 5.091 1.00 0.00 C ATOM 642 CD ARG A 43 -1.576 0.956 5.042 1.00 0.00 C ATOM 643 NE ARG A 43 -2.243 0.523 6.284 1.00 0.00 N ATOM 644 CZ ARG A 43 -2.776 -0.669 6.485 1.00 0.00 C ATOM 645 NH1 ARG A 43 -2.758 -1.595 5.571 1.00 0.00 N ATOM 646 NH2 ARG A 43 -3.351 -0.971 7.609 1.00 0.00 N ATOM 0 H ARG A 43 -3.773 5.309 5.144 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.877 4.424 3.281 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.716 4.353 5.779 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.977 3.137 5.822 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.513 2.603 4.183 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.393 2.504 5.928 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.268 0.842 4.208 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.728 0.300 4.845 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.297 1.197 7.048 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.323 -1.411 4.667 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.179 -2.505 5.759 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.398 -0.282 8.359 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.756 -1.898 7.742 1.00 0.00 H new ATOM 657 N ARG A 44 -4.594 2.669 3.184 1.00 0.00 N ATOM 658 CA ARG A 44 -5.261 1.539 2.521 1.00 0.00 C ATOM 659 C ARG A 44 -5.232 1.724 1.013 1.00 0.00 C ATOM 660 O ARG A 44 -5.041 0.773 0.260 1.00 0.00 O ATOM 661 CB ARG A 44 -6.704 1.415 3.045 1.00 0.00 C ATOM 662 CG ARG A 44 -7.090 -0.046 3.331 1.00 0.00 C ATOM 663 CD ARG A 44 -7.371 -0.860 2.056 1.00 0.00 C ATOM 664 NE ARG A 44 -6.814 -2.222 2.139 1.00 0.00 N ATOM 665 CZ ARG A 44 -5.676 -2.682 1.644 1.00 0.00 C ATOM 666 NH1 ARG A 44 -4.832 -1.950 0.979 1.00 0.00 N ATOM 667 NH2 ARG A 44 -5.356 -3.930 1.798 1.00 0.00 N ATOM 0 H ARG A 44 -5.220 3.239 3.753 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.731 0.615 2.751 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.810 2.003 3.957 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.393 1.835 2.312 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.286 -0.525 3.890 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.975 -0.063 3.968 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.447 -0.917 1.892 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.944 -0.345 1.195 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.382 -2.901 2.646 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.032 -0.963 0.814 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.970 -2.362 0.622 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.982 -4.559 2.301 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.478 -4.282 1.416 1.00 0.00 H new ATOM 678 N THR A 45 -5.390 2.965 0.584 1.00 0.00 N ATOM 679 CA THR A 45 -5.519 3.390 -0.787 1.00 0.00 C ATOM 680 C THR A 45 -4.152 3.557 -1.405 1.00 0.00 C ATOM 681 O THR A 45 -3.889 3.110 -2.521 1.00 0.00 O ATOM 682 CB THR A 45 -6.187 4.760 -0.761 1.00 0.00 C ATOM 683 OG1 THR A 45 -7.248 4.759 0.166 1.00 0.00 O ATOM 684 CG2 THR A 45 -6.689 5.091 -2.147 1.00 0.00 C ATOM 0 H THR A 45 -5.434 3.750 1.234 1.00 0.00 H new ATOM 0 HA THR A 45 -6.089 2.658 -1.359 1.00 0.00 H new ATOM 0 HB THR A 45 -5.466 5.518 -0.453 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.672 5.643 0.179 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.168 6.070 -2.136 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.851 5.105 -2.844 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.411 4.337 -2.462 1.00 0.00 H new ATOM 692 N VAL A 46 -3.257 4.183 -0.646 1.00 0.00 N ATOM 693 CA VAL A 46 -1.910 4.453 -1.097 1.00 0.00 C ATOM 694 C VAL A 46 -1.135 3.133 -1.291 1.00 0.00 C ATOM 695 O VAL A 46 -0.320 3.013 -2.209 1.00 0.00 O ATOM 696 CB VAL A 46 -1.245 5.464 -0.149 1.00 0.00 C ATOM 697 CG1 VAL A 46 -0.363 4.819 0.899 1.00 0.00 C ATOM 698 CG2 VAL A 46 -0.388 6.470 -0.908 1.00 0.00 C ATOM 0 H VAL A 46 -3.453 4.515 0.299 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.914 4.924 -2.080 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.080 5.960 0.346 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.073 5.591 1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.960 4.142 1.511 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.433 4.258 0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.065 7.167 -0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.396 5.943 -1.452 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.011 7.020 -1.613 1.00 0.00 H new ATOM 708 N ALA A 47 -1.460 2.105 -0.488 1.00 0.00 N ATOM 709 CA ALA A 47 -0.938 0.749 -0.586 1.00 0.00 C ATOM 710 C ALA A 47 -1.474 -0.008 -1.811 1.00 0.00 C ATOM 711 O ALA A 47 -0.743 -0.760 -2.458 1.00 0.00 O ATOM 712 CB ALA A 47 -1.299 -0.006 0.696 1.00 0.00 C ATOM 0 H ALA A 47 -2.124 2.211 0.279 1.00 0.00 H new ATOM 0 HA ALA A 47 0.143 0.812 -0.709 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.915 -1.025 0.639 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.857 0.501 1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.383 -0.033 0.810 1.00 0.00 H new ATOM 718 N LYS A 48 -2.743 0.222 -2.172 1.00 0.00 N ATOM 719 CA LYS A 48 -3.339 -0.300 -3.406 1.00 0.00 C ATOM 720 C LYS A 48 -2.696 0.304 -4.656 1.00 0.00 C ATOM 721 O LYS A 48 -2.659 -0.333 -5.709 1.00 0.00 O ATOM 722 CB LYS A 48 -4.855 -0.035 -3.398 1.00 0.00 C ATOM 723 CG LYS A 48 -5.627 -1.065 -2.566 1.00 0.00 C ATOM 724 CD LYS A 48 -7.131 -0.744 -2.555 1.00 0.00 C ATOM 725 CE LYS A 48 -7.868 -1.756 -1.672 1.00 0.00 C ATOM 726 NZ LYS A 48 -9.344 -1.640 -1.794 1.00 0.00 N ATOM 0 H LYS A 48 -3.388 0.779 -1.612 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.155 -1.374 -3.441 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.044 0.963 -3.002 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.228 -0.047 -4.422 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.467 -2.063 -2.975 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.245 -1.074 -1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.294 0.267 -2.181 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.527 -0.776 -3.570 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.561 -2.765 -1.946 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.579 -1.606 -0.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.800 -2.344 -1.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.642 -0.686 -1.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.625 -1.809 -2.781 1.00 0.00 H new ATOM 736 N TYR A 49 -2.174 1.525 -4.536 1.00 0.00 N ATOM 737 CA TYR A 49 -1.602 2.282 -5.645 1.00 0.00 C ATOM 738 C TYR A 49 -0.153 1.903 -5.898 1.00 0.00 C ATOM 739 O TYR A 49 0.170 1.481 -7.011 1.00 0.00 O ATOM 740 CB TYR A 49 -1.794 3.785 -5.420 1.00 0.00 C ATOM 741 CG TYR A 49 -3.143 4.279 -5.912 1.00 0.00 C ATOM 742 CD1 TYR A 49 -4.313 3.496 -5.804 1.00 0.00 C ATOM 743 CD2 TYR A 49 -3.204 5.524 -6.554 1.00 0.00 C ATOM 744 CE1 TYR A 49 -5.515 3.945 -6.383 1.00 0.00 C ATOM 745 CE2 TYR A 49 -4.399 5.984 -7.128 1.00 0.00 C ATOM 746 CZ TYR A 49 -5.556 5.187 -7.054 1.00 0.00 C ATOM 747 OH TYR A 49 -6.717 5.655 -7.577 1.00 0.00 O ATOM 0 H TYR A 49 -2.137 2.023 -3.647 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.140 2.020 -6.556 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.696 4.005 -4.357 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.002 4.330 -5.933 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.286 2.553 -5.278 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.317 6.139 -6.608 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.406 3.339 -6.314 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.430 6.943 -7.623 1.00 0.00 H new ATOM 0 HH TYR A 49 -6.558 6.524 -8.001 1.00 0.00 H new ATOM 756 N ARG A 50 0.715 1.956 -4.881 1.00 0.00 N ATOM 757 CA ARG A 50 2.107 1.491 -5.018 1.00 0.00 C ATOM 758 C ARG A 50 2.206 0.061 -5.557 1.00 0.00 C ATOM 759 O ARG A 50 3.156 -0.244 -6.275 1.00 0.00 O ATOM 760 CB ARG A 50 2.892 1.711 -3.712 1.00 0.00 C ATOM 761 CG ARG A 50 2.375 0.975 -2.468 1.00 0.00 C ATOM 762 CD ARG A 50 3.336 -0.102 -1.942 1.00 0.00 C ATOM 763 NE ARG A 50 2.978 -1.445 -2.416 1.00 0.00 N ATOM 764 CZ ARG A 50 2.187 -2.310 -1.800 1.00 0.00 C ATOM 765 NH1 ARG A 50 1.581 -2.041 -0.677 1.00 0.00 N ATOM 766 NH2 ARG A 50 2.000 -3.491 -2.315 1.00 0.00 N ATOM 0 H ARG A 50 0.482 2.315 -3.955 1.00 0.00 H new ATOM 0 HA ARG A 50 2.585 2.106 -5.780 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.926 1.410 -3.881 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.902 2.779 -3.496 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.191 1.702 -1.677 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.417 0.511 -2.704 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.352 0.134 -2.259 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.331 -0.090 -0.852 1.00 0.00 H new ATOM 0 HE ARG A 50 3.378 -1.740 -3.307 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.707 -1.130 -0.235 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.981 -2.741 -0.241 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.462 -3.746 -3.188 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.392 -4.162 -1.845 1.00 0.00 H new ATOM 777 N GLU A 51 1.180 -0.764 -5.328 1.00 0.00 N ATOM 778 CA GLU A 51 1.087 -2.130 -5.869 1.00 0.00 C ATOM 779 C GLU A 51 0.948 -2.164 -7.405 1.00 0.00 C ATOM 780 O GLU A 51 1.552 -3.019 -8.060 1.00 0.00 O ATOM 781 CB GLU A 51 -0.096 -2.863 -5.207 1.00 0.00 C ATOM 782 CG GLU A 51 -0.176 -4.343 -5.603 1.00 0.00 C ATOM 783 CD GLU A 51 -1.326 -5.075 -4.885 1.00 0.00 C ATOM 784 OE1 GLU A 51 -2.508 -4.683 -5.056 1.00 0.00 O ATOM 785 OE2 GLU A 51 -1.065 -6.080 -4.181 1.00 0.00 O ATOM 0 H GLU A 51 0.378 -0.502 -4.754 1.00 0.00 H new ATOM 0 HA GLU A 51 2.023 -2.637 -5.635 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.005 -2.786 -4.124 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.026 -2.367 -5.484 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.314 -4.422 -6.681 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.769 -4.833 -5.366 1.00 0.00 H new ATOM 790 N MET A 52 0.166 -1.246 -7.989 1.00 0.00 N ATOM 791 CA MET A 52 -0.150 -1.226 -9.427 1.00 0.00 C ATOM 792 C MET A 52 0.808 -0.361 -10.264 1.00 0.00 C ATOM 793 O MET A 52 0.946 -0.596 -11.468 1.00 0.00 O ATOM 794 CB MET A 52 -1.626 -0.851 -9.656 1.00 0.00 C ATOM 795 CG MET A 52 -1.950 0.633 -9.451 1.00 0.00 C ATOM 796 SD MET A 52 -3.706 1.041 -9.653 1.00 0.00 S ATOM 797 CE MET A 52 -3.622 2.835 -9.408 1.00 0.00 C ATOM 0 H MET A 52 -0.272 -0.485 -7.470 1.00 0.00 H new ATOM 0 HA MET A 52 0.005 -2.242 -9.791 1.00 0.00 H new ATOM 0 HB2 MET A 52 -1.905 -1.133 -10.671 1.00 0.00 H new ATOM 0 HB3 MET A 52 -2.245 -1.441 -8.980 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.632 0.929 -8.451 1.00 0.00 H new ATOM 0 HG3 MET A 52 -1.367 1.223 -10.159 1.00 0.00 H new ATOM 0 HE1 MET A 52 -4.577 3.195 -9.025 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.833 3.068 -8.693 1.00 0.00 H new ATOM 0 HE3 MET A 52 -3.406 3.322 -10.359 1.00 0.00 H new ATOM 805 N LEU A 53 1.500 0.606 -9.647 1.00 0.00 N ATOM 806 CA LEU A 53 2.562 1.396 -10.275 1.00 0.00 C ATOM 807 C LEU A 53 3.837 0.564 -10.496 1.00 0.00 C ATOM 808 O LEU A 53 4.209 0.308 -11.645 1.00 0.00 O ATOM 809 CB LEU A 53 2.805 2.665 -9.440 1.00 0.00 C ATOM 810 CG LEU A 53 1.757 3.746 -9.787 1.00 0.00 C ATOM 811 CD1 LEU A 53 1.156 4.361 -8.524 1.00 0.00 C ATOM 812 CD2 LEU A 53 2.420 4.835 -10.628 1.00 0.00 C ATOM 0 H LEU A 53 1.331 0.865 -8.675 1.00 0.00 H new ATOM 0 HA LEU A 53 2.247 1.703 -11.272 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.752 2.425 -8.378 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.808 3.047 -9.631 1.00 0.00 H new ATOM 0 HG LEU A 53 0.949 3.279 -10.350 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.422 5.118 -8.801 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.670 3.583 -7.936 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.947 4.822 -7.932 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.685 5.601 -10.876 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.236 5.285 -10.063 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.812 4.398 -11.546 1.00 0.00 H new ATOM 823 N GLY A 54 4.493 0.118 -9.419 1.00 0.00 N ATOM 824 CA GLY A 54 5.667 -0.763 -9.524 1.00 0.00 C ATOM 825 C GLY A 54 6.437 -1.095 -8.238 1.00 0.00 C ATOM 826 O GLY A 54 7.584 -1.538 -8.331 1.00 0.00 O ATOM 0 H GLY A 54 4.232 0.352 -8.461 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.340 -1.703 -9.970 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.367 -0.305 -10.223 1.00 0.00 H new ATOM 830 N ILE A 55 5.865 -0.862 -7.051 1.00 0.00 N ATOM 831 CA ILE A 55 6.583 -0.873 -5.761 1.00 0.00 C ATOM 832 C ILE A 55 6.021 -1.918 -4.761 1.00 0.00 C ATOM 833 O ILE A 55 4.803 -2.007 -4.571 1.00 0.00 O ATOM 834 CB ILE A 55 6.573 0.561 -5.190 1.00 0.00 C ATOM 835 CG1 ILE A 55 7.457 1.514 -6.034 1.00 0.00 C ATOM 836 CG2 ILE A 55 7.033 0.647 -3.729 1.00 0.00 C ATOM 837 CD1 ILE A 55 6.612 2.490 -6.851 1.00 0.00 C ATOM 0 H ILE A 55 4.871 -0.656 -6.953 1.00 0.00 H new ATOM 0 HA ILE A 55 7.612 -1.190 -5.930 1.00 0.00 H new ATOM 0 HB ILE A 55 5.528 0.869 -5.235 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.123 2.072 -5.376 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.087 0.929 -6.704 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.999 1.685 -3.397 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.374 0.045 -3.104 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.053 0.273 -3.646 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.267 3.142 -7.430 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.965 1.932 -7.528 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.001 3.093 -6.179 1.00 0.00 H new ATOM 848 N PRO A 56 6.886 -2.693 -4.071 1.00 0.00 N ATOM 849 CA PRO A 56 6.488 -3.675 -3.051 1.00 0.00 C ATOM 850 C PRO A 56 6.093 -3.041 -1.700 1.00 0.00 C ATOM 851 O PRO A 56 5.065 -3.395 -1.123 1.00 0.00 O ATOM 852 CB PRO A 56 7.702 -4.600 -2.904 1.00 0.00 C ATOM 853 CG PRO A 56 8.892 -3.708 -3.261 1.00 0.00 C ATOM 854 CD PRO A 56 8.322 -2.767 -4.312 1.00 0.00 C ATOM 0 HA PRO A 56 5.588 -4.205 -3.361 1.00 0.00 H new ATOM 0 HB2 PRO A 56 7.786 -4.990 -1.890 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.633 -5.459 -3.571 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.262 -3.164 -2.392 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.727 -4.289 -3.652 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.779 -1.780 -4.237 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.528 -3.138 -5.316 1.00 0.00 H new ATOM 859 N SER A 57 6.917 -2.123 -1.185 1.00 0.00 N ATOM 860 CA SER A 57 6.746 -1.390 0.091 1.00 0.00 C ATOM 861 C SER A 57 7.631 -0.130 0.219 1.00 0.00 C ATOM 862 O SER A 57 7.532 0.632 1.179 1.00 0.00 O ATOM 863 CB SER A 57 7.093 -2.324 1.256 1.00 0.00 C ATOM 864 OG SER A 57 8.478 -2.636 1.251 1.00 0.00 O ATOM 0 H SER A 57 7.773 -1.850 -1.669 1.00 0.00 H new ATOM 0 HA SER A 57 5.707 -1.062 0.112 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.825 -1.851 2.201 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.508 -3.241 1.181 1.00 0.00 H new ATOM 0 HG SER A 57 8.682 -3.231 2.002 1.00 0.00 H new ATOM 869 N SER A 58 8.548 0.065 -0.738 1.00 0.00 N ATOM 870 CA SER A 58 9.736 0.947 -0.710 1.00 0.00 C ATOM 871 C SER A 58 10.807 0.584 0.330 1.00 0.00 C ATOM 872 O SER A 58 11.896 1.158 0.294 1.00 0.00 O ATOM 873 CB SER A 58 9.367 2.435 -0.574 1.00 0.00 C ATOM 874 OG SER A 58 8.454 2.831 -1.579 1.00 0.00 O ATOM 0 H SER A 58 8.478 -0.428 -1.628 1.00 0.00 H new ATOM 0 HA SER A 58 10.188 0.771 -1.686 1.00 0.00 H new ATOM 0 HB2 SER A 58 8.931 2.616 0.408 1.00 0.00 H new ATOM 0 HB3 SER A 58 10.269 3.043 -0.639 1.00 0.00 H new ATOM 0 HG SER A 58 8.114 3.727 -1.377 1.00 0.00 H new ATOM 879 N ARG A 59 10.564 -0.389 1.218 1.00 0.00 N ATOM 880 CA ARG A 59 11.476 -0.783 2.303 1.00 0.00 C ATOM 881 C ARG A 59 12.552 -1.719 1.768 1.00 0.00 C ATOM 882 O ARG A 59 13.729 -1.596 2.099 1.00 0.00 O ATOM 883 CB ARG A 59 10.646 -1.437 3.426 1.00 0.00 C ATOM 884 CG ARG A 59 11.299 -1.290 4.805 1.00 0.00 C ATOM 885 CD ARG A 59 10.435 -1.967 5.879 1.00 0.00 C ATOM 886 NE ARG A 59 10.725 -1.425 7.222 1.00 0.00 N ATOM 887 CZ ARG A 59 11.654 -1.786 8.082 1.00 0.00 C ATOM 888 NH1 ARG A 59 12.532 -2.715 7.829 1.00 0.00 N ATOM 889 NH2 ARG A 59 11.701 -1.194 9.235 1.00 0.00 N ATOM 0 H ARG A 59 9.705 -0.939 1.202 1.00 0.00 H new ATOM 0 HA ARG A 59 11.987 0.089 2.711 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.654 -0.987 3.448 1.00 0.00 H new ATOM 0 HB3 ARG A 59 10.511 -2.495 3.203 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.293 -1.737 4.794 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.427 -0.234 5.044 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.380 -1.821 5.646 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.617 -3.042 5.871 1.00 0.00 H new ATOM 0 HE ARG A 59 10.119 -0.663 7.526 1.00 0.00 H new ATOM 0 HH11 ARG A 59 12.519 -3.198 6.931 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.233 -2.959 8.529 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.026 -0.464 9.461 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.413 -1.459 9.916 1.00 0.00 H new ATOM 900 N GLU A 60 12.135 -2.611 0.871 1.00 0.00 N ATOM 901 CA GLU A 60 12.990 -3.575 0.172 1.00 0.00 C ATOM 902 C GLU A 60 13.554 -3.076 -1.174 1.00 0.00 C ATOM 903 O GLU A 60 14.429 -3.718 -1.761 1.00 0.00 O ATOM 904 CB GLU A 60 12.289 -4.938 0.051 1.00 0.00 C ATOM 905 CG GLU A 60 10.824 -4.872 -0.394 1.00 0.00 C ATOM 906 CD GLU A 60 10.328 -6.256 -0.852 1.00 0.00 C ATOM 907 OE1 GLU A 60 10.572 -6.639 -2.023 1.00 0.00 O ATOM 908 OE2 GLU A 60 9.694 -6.979 -0.042 1.00 0.00 O ATOM 0 H GLU A 60 11.155 -2.687 0.599 1.00 0.00 H new ATOM 0 HA GLU A 60 13.875 -3.699 0.796 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.842 -5.553 -0.659 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.338 -5.443 1.016 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.205 -4.513 0.429 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.719 -4.155 -1.208 1.00 0.00 H new ATOM 913 N ARG A 61 13.128 -1.893 -1.639 1.00 0.00 N ATOM 914 CA ARG A 61 13.841 -1.112 -2.671 1.00 0.00 C ATOM 915 C ARG A 61 15.168 -0.539 -2.150 1.00 0.00 C ATOM 916 O ARG A 61 16.134 -0.441 -2.911 1.00 0.00 O ATOM 917 CB ARG A 61 12.947 0.010 -3.230 1.00 0.00 C ATOM 918 CG ARG A 61 11.715 -0.559 -3.951 1.00 0.00 C ATOM 919 CD ARG A 61 10.840 0.530 -4.590 1.00 0.00 C ATOM 920 NE ARG A 61 11.458 1.170 -5.772 1.00 0.00 N ATOM 921 CZ ARG A 61 11.456 0.731 -7.020 1.00 0.00 C ATOM 922 NH1 ARG A 61 10.978 -0.436 -7.352 1.00 0.00 N ATOM 923 NH2 ARG A 61 11.936 1.467 -7.976 1.00 0.00 N ATOM 0 H ARG A 61 12.273 -1.444 -1.310 1.00 0.00 H new ATOM 0 HA ARG A 61 14.081 -1.801 -3.481 1.00 0.00 H new ATOM 0 HB2 ARG A 61 12.626 0.660 -2.416 1.00 0.00 H new ATOM 0 HB3 ARG A 61 13.523 0.625 -3.921 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.042 -1.255 -4.724 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.116 -1.129 -3.241 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.886 0.092 -4.882 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.625 1.295 -3.844 1.00 0.00 H new ATOM 0 HE ARG A 61 11.942 2.052 -5.605 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.586 -1.049 -6.637 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.996 -0.736 -8.327 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.318 2.390 -7.767 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.931 1.123 -8.936 1.00 0.00 H new ATOM 934 N ARG A 62 15.226 -0.187 -0.854 1.00 0.00 N ATOM 935 CA ARG A 62 16.398 0.319 -0.131 1.00 0.00 C ATOM 936 C ARG A 62 17.313 -0.812 0.365 1.00 0.00 C ATOM 937 O ARG A 62 18.476 -0.870 -0.045 1.00 0.00 O ATOM 938 CB ARG A 62 15.860 1.190 1.010 1.00 0.00 C ATOM 939 CG ARG A 62 16.931 1.712 1.979 1.00 0.00 C ATOM 940 CD ARG A 62 16.637 1.201 3.389 1.00 0.00 C ATOM 941 NE ARG A 62 17.533 1.833 4.372 1.00 0.00 N ATOM 942 CZ ARG A 62 17.469 1.758 5.687 1.00 0.00 C ATOM 943 NH1 ARG A 62 16.591 1.019 6.302 1.00 0.00 N ATOM 944 NH2 ARG A 62 18.293 2.452 6.417 1.00 0.00 N ATOM 0 H ARG A 62 14.406 -0.253 -0.251 1.00 0.00 H new ATOM 0 HA ARG A 62 17.035 0.908 -0.791 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.332 2.041 0.581 1.00 0.00 H new ATOM 0 HB3 ARG A 62 15.128 0.613 1.575 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.919 1.380 1.659 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.943 2.802 1.971 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.599 1.412 3.648 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.760 0.118 3.421 1.00 0.00 H new ATOM 0 HE ARG A 62 18.293 2.396 3.990 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.920 0.471 5.764 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.575 0.988 7.321 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.987 3.053 5.972 1.00 0.00 H new ATOM 0 HH22 ARG A 62 18.245 2.395 7.434 1.00 0.00 H new ATOM 955 N ILE A 63 16.804 -1.668 1.264 1.00 0.00 N ATOM 956 CA ILE A 63 17.521 -2.798 1.900 1.00 0.00 C ATOM 957 C ILE A 63 18.118 -3.768 0.863 1.00 0.00 C ATOM 958 O ILE A 63 17.368 -4.266 -0.008 1.00 0.00 O ATOM 959 CB ILE A 63 16.626 -3.480 2.944 1.00 0.00 C ATOM 960 CG1 ILE A 63 16.333 -2.628 4.202 1.00 0.00 C ATOM 961 CG2 ILE A 63 17.130 -4.872 3.365 1.00 0.00 C ATOM 962 CD1 ILE A 63 17.557 -2.236 5.043 1.00 0.00 C ATOM 963 OXT ILE A 63 19.345 -4.024 0.925 1.00 0.00 O ATOM 0 H ILE A 63 15.839 -1.593 1.586 1.00 0.00 H new ATOM 0 HA ILE A 63 18.384 -2.403 2.436 1.00 0.00 H new ATOM 0 HB ILE A 63 15.682 -3.598 2.412 1.00 0.00 H new ATOM 0 HG12 ILE A 63 15.823 -1.717 3.890 1.00 0.00 H new ATOM 0 HG13 ILE A 63 15.640 -3.179 4.838 1.00 0.00 H new ATOM 0 HG21 ILE A 63 16.451 -5.297 4.104 1.00 0.00 H new ATOM 0 HG22 ILE A 63 17.170 -5.524 2.492 1.00 0.00 H new ATOM 0 HG23 ILE A 63 18.127 -4.783 3.797 1.00 0.00 H new ATOM 0 HD11 ILE A 63 17.236 -1.641 5.898 1.00 0.00 H new ATOM 0 HD12 ILE A 63 18.060 -3.137 5.396 1.00 0.00 H new ATOM 0 HD13 ILE A 63 18.246 -1.651 4.433 1.00 0.00 H new