USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 611 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 70 SER OG : rot -84:sc= 0.0161 USER MOD Set 1.2: A 72 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 38 SER OG : rot 180:sc= -0.34 USER MOD Set 2.2: A 39 THR OG1 : rot 180:sc= 0.0686 USER MOD Single : A 6 GLN : amide:sc= 0.0484 K(o=0.048,f=-0.68) USER MOD Single : A 7 GLN : amide:sc= -1.41! C(o=-1.4!,f=-1.5!) USER MOD Single : A 15 SER OG : rot 180:sc= -0.374 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -127:sc= -0.214 (180deg=-1.83) USER MOD Single : A 40 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0068) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.271 X(o=-0.27,f=0) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 173:sc= -0.473 (180deg=-0.556) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -171:sc= 0 (180deg=-0.0704) USER MOD Single : A 85 GLN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 86 MET CE :methyl -120:sc= -5.55! (180deg=-12.2!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N ASP A 5 -15.139 6.597 -13.633 1.00 0.00 N ATOM 56 CA ASP A 5 -14.811 6.738 -12.189 1.00 0.00 C ATOM 57 C ASP A 5 -13.342 6.293 -11.946 1.00 0.00 C ATOM 58 O ASP A 5 -12.696 6.760 -11.000 1.00 0.00 O ATOM 59 CB ASP A 5 -15.824 5.961 -11.297 1.00 0.00 C ATOM 60 CG ASP A 5 -15.325 5.565 -9.897 1.00 0.00 C ATOM 61 OD1 ASP A 5 -14.671 4.507 -9.764 1.00 0.00 O ATOM 62 OD2 ASP A 5 -15.579 6.315 -8.928 1.00 0.00 O ATOM 0 HA ASP A 5 -14.899 7.786 -11.901 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -16.720 6.572 -11.182 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -16.122 5.055 -11.825 1.00 0.00 H new ATOM 67 N GLN A 6 -12.844 5.366 -12.785 1.00 0.00 N ATOM 68 CA GLN A 6 -11.500 4.746 -12.633 1.00 0.00 C ATOM 69 C GLN A 6 -10.459 5.858 -12.327 1.00 0.00 C ATOM 70 O GLN A 6 -10.072 6.055 -11.168 1.00 0.00 O ATOM 71 CB GLN A 6 -11.139 3.934 -13.911 1.00 0.00 C ATOM 72 CG GLN A 6 -9.697 3.374 -13.983 1.00 0.00 C ATOM 73 CD GLN A 6 -9.585 1.865 -13.706 1.00 0.00 C ATOM 74 OE1 GLN A 6 -10.091 1.037 -14.465 1.00 0.00 O ATOM 75 NE2 GLN A 6 -8.929 1.474 -12.624 1.00 0.00 N ATOM 0 H GLN A 6 -13.360 5.019 -13.594 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.498 4.044 -11.799 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -11.835 3.099 -13.994 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -11.302 4.572 -14.779 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -9.290 3.580 -14.973 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -9.076 3.910 -13.265 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -8.513 2.167 -12.001 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.839 0.480 -12.413 1.00 0.00 H new ATOM 84 N GLN A 7 -10.015 6.571 -13.379 1.00 0.00 N ATOM 85 CA GLN A 7 -8.938 7.590 -13.274 1.00 0.00 C ATOM 86 C GLN A 7 -9.567 8.991 -13.044 1.00 0.00 C ATOM 87 O GLN A 7 -8.950 10.012 -13.386 1.00 0.00 O ATOM 88 CB GLN A 7 -8.065 7.620 -14.565 1.00 0.00 C ATOM 89 CG GLN A 7 -8.691 8.321 -15.792 1.00 0.00 C ATOM 90 CD GLN A 7 -10.021 7.681 -16.224 1.00 0.00 C ATOM 91 OE1 GLN A 7 -11.101 8.156 -15.873 1.00 0.00 O ATOM 92 NE2 GLN A 7 -9.977 6.603 -16.993 1.00 0.00 N ATOM 0 H GLN A 7 -10.386 6.463 -14.323 1.00 0.00 H new ATOM 0 HA GLN A 7 -8.299 7.325 -12.432 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.123 8.115 -14.331 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.826 6.593 -14.841 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.857 9.373 -15.559 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -7.988 8.286 -16.624 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -9.077 6.217 -17.279 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.843 6.159 -17.299 1.00 0.00 H new ATOM 101 N ALA A 8 -10.783 9.041 -12.470 1.00 0.00 N ATOM 102 CA ALA A 8 -11.499 10.315 -12.190 1.00 0.00 C ATOM 103 C ALA A 8 -11.003 10.921 -10.849 1.00 0.00 C ATOM 104 O ALA A 8 -10.851 12.142 -10.725 1.00 0.00 O ATOM 105 CB ALA A 8 -13.017 10.048 -12.175 1.00 0.00 C ATOM 0 H ALA A 8 -11.301 8.209 -12.186 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.289 11.045 -12.972 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.548 10.978 -11.970 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.328 9.659 -13.145 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.250 9.319 -11.399 1.00 0.00 H new ATOM 111 N GLU A 9 -10.742 10.045 -9.860 1.00 0.00 N ATOM 112 CA GLU A 9 -10.348 10.457 -8.487 1.00 0.00 C ATOM 113 C GLU A 9 -8.815 10.705 -8.448 1.00 0.00 C ATOM 114 O GLU A 9 -8.362 11.836 -8.232 1.00 0.00 O ATOM 115 CB GLU A 9 -10.788 9.411 -7.421 1.00 0.00 C ATOM 116 CG GLU A 9 -12.036 8.563 -7.764 1.00 0.00 C ATOM 117 CD GLU A 9 -12.671 7.906 -6.536 1.00 0.00 C ATOM 118 OE1 GLU A 9 -13.490 8.561 -5.854 1.00 0.00 O ATOM 119 OE2 GLU A 9 -12.356 6.731 -6.247 1.00 0.00 O ATOM 0 H GLU A 9 -10.796 9.034 -9.983 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.864 11.384 -8.236 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.953 8.733 -7.242 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.978 9.936 -6.485 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.776 9.197 -8.253 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.757 7.789 -8.479 1.00 0.00 H new ATOM 126 N ALA A 10 -8.031 9.627 -8.630 1.00 0.00 N ATOM 127 CA ALA A 10 -6.547 9.675 -8.534 1.00 0.00 C ATOM 128 C ALA A 10 -5.988 10.863 -9.364 1.00 0.00 C ATOM 129 O ALA A 10 -4.931 11.416 -9.038 1.00 0.00 O ATOM 130 CB ALA A 10 -5.970 8.325 -9.004 1.00 0.00 C ATOM 0 H ALA A 10 -8.398 8.700 -8.847 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.246 9.839 -7.499 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.882 8.351 -8.937 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.353 7.525 -8.371 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.266 8.143 -10.037 1.00 0.00 H new ATOM 136 N ARG A 11 -6.696 11.217 -10.453 1.00 0.00 N ATOM 137 CA ARG A 11 -6.250 12.255 -11.419 1.00 0.00 C ATOM 138 C ARG A 11 -6.449 13.646 -10.756 1.00 0.00 C ATOM 139 O ARG A 11 -5.546 14.491 -10.784 1.00 0.00 O ATOM 140 CB ARG A 11 -7.044 12.142 -12.752 1.00 0.00 C ATOM 141 CG ARG A 11 -7.095 13.437 -13.596 1.00 0.00 C ATOM 142 CD ARG A 11 -8.475 14.121 -13.553 1.00 0.00 C ATOM 143 NE ARG A 11 -9.255 13.866 -14.790 1.00 0.00 N ATOM 144 CZ ARG A 11 -8.748 13.899 -16.039 1.00 0.00 C ATOM 145 NH1 ARG A 11 -7.756 14.721 -16.354 1.00 0.00 N ATOM 146 NH2 ARG A 11 -9.265 13.154 -17.007 1.00 0.00 N ATOM 0 H ARG A 11 -7.593 10.796 -10.693 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.197 12.116 -11.665 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.600 11.350 -13.356 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.065 11.835 -12.524 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.338 14.132 -13.233 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.843 13.202 -14.630 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.034 13.759 -12.690 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.344 15.195 -13.420 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.247 13.650 -14.688 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.364 15.342 -15.646 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.385 14.732 -17.304 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.059 12.544 -16.812 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.869 13.191 -17.946 1.00 0.00 H new ATOM 160 N ALA A 12 -7.649 13.867 -10.183 1.00 0.00 N ATOM 161 CA ALA A 12 -8.027 15.176 -9.586 1.00 0.00 C ATOM 162 C ALA A 12 -7.018 15.560 -8.469 1.00 0.00 C ATOM 163 O ALA A 12 -6.762 16.746 -8.231 1.00 0.00 O ATOM 164 CB ALA A 12 -9.471 15.101 -9.052 1.00 0.00 C ATOM 0 H ALA A 12 -8.379 13.157 -10.118 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.989 15.956 -10.346 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.747 16.060 -8.615 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.150 14.867 -9.872 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.538 14.323 -8.292 1.00 0.00 H new ATOM 170 N PHE A 13 -6.479 14.543 -7.771 1.00 0.00 N ATOM 171 CA PHE A 13 -5.530 14.746 -6.644 1.00 0.00 C ATOM 172 C PHE A 13 -4.129 15.115 -7.203 1.00 0.00 C ATOM 173 O PHE A 13 -3.539 16.129 -6.812 1.00 0.00 O ATOM 174 CB PHE A 13 -5.519 13.469 -5.755 1.00 0.00 C ATOM 175 CG PHE A 13 -4.584 13.533 -4.530 1.00 0.00 C ATOM 176 CD1 PHE A 13 -4.879 14.387 -3.460 1.00 0.00 C ATOM 177 CD2 PHE A 13 -3.428 12.745 -4.479 1.00 0.00 C ATOM 178 CE1 PHE A 13 -4.031 14.450 -2.357 1.00 0.00 C ATOM 179 CE2 PHE A 13 -2.582 12.810 -3.375 1.00 0.00 C ATOM 180 CZ PHE A 13 -2.884 13.661 -2.315 1.00 0.00 C ATOM 0 H PHE A 13 -6.683 13.562 -7.965 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.843 15.577 -6.013 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.534 13.278 -5.408 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.227 12.619 -6.371 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.768 14.999 -3.490 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.191 12.084 -5.300 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.263 15.110 -1.534 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.691 12.200 -3.341 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.228 13.709 -1.459 1.00 0.00 H new ATOM 190 N LEU A 14 -3.613 14.272 -8.117 1.00 0.00 N ATOM 191 CA LEU A 14 -2.241 14.408 -8.672 1.00 0.00 C ATOM 192 C LEU A 14 -2.259 15.546 -9.729 1.00 0.00 C ATOM 193 O LEU A 14 -3.051 15.515 -10.678 1.00 0.00 O ATOM 194 CB LEU A 14 -1.750 13.060 -9.281 1.00 0.00 C ATOM 195 CG LEU A 14 -1.895 11.783 -8.403 1.00 0.00 C ATOM 196 CD1 LEU A 14 -2.172 10.517 -9.241 1.00 0.00 C ATOM 197 CD2 LEU A 14 -0.648 11.566 -7.523 1.00 0.00 C ATOM 0 H LEU A 14 -4.129 13.477 -8.495 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.537 14.662 -7.879 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.293 12.893 -10.211 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.698 13.172 -9.542 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.760 11.951 -7.761 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.264 9.656 -8.579 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.099 10.646 -9.800 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.349 10.354 -9.936 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.779 10.667 -6.921 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.230 11.453 -8.158 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.512 12.425 -6.866 1.00 0.00 H new ATOM 209 N SER A 15 -1.355 16.529 -9.562 1.00 0.00 N ATOM 210 CA SER A 15 -1.159 17.635 -10.539 1.00 0.00 C ATOM 211 C SER A 15 -0.328 17.122 -11.746 1.00 0.00 C ATOM 212 O SER A 15 0.125 15.970 -11.755 1.00 0.00 O ATOM 213 CB SER A 15 -0.499 18.836 -9.822 1.00 0.00 C ATOM 214 OG SER A 15 0.397 19.541 -10.673 1.00 0.00 O ATOM 0 H SER A 15 -0.738 16.586 -8.752 1.00 0.00 H new ATOM 0 HA SER A 15 -2.116 17.977 -10.934 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.273 19.517 -9.468 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.040 18.482 -8.943 1.00 0.00 H new ATOM 0 HG SER A 15 0.791 20.292 -10.183 1.00 0.00 H new ATOM 220 N GLU A 16 -0.164 17.978 -12.772 1.00 0.00 N ATOM 221 CA GLU A 16 0.577 17.628 -14.013 1.00 0.00 C ATOM 222 C GLU A 16 2.068 17.382 -13.653 1.00 0.00 C ATOM 223 O GLU A 16 2.718 16.506 -14.236 1.00 0.00 O ATOM 224 CB GLU A 16 0.371 18.730 -15.092 1.00 0.00 C ATOM 225 CG GLU A 16 0.905 18.417 -16.510 1.00 0.00 C ATOM 226 CD GLU A 16 2.314 18.954 -16.783 1.00 0.00 C ATOM 227 OE1 GLU A 16 2.443 20.122 -17.211 1.00 0.00 O ATOM 228 OE2 GLU A 16 3.297 18.209 -16.574 1.00 0.00 O ATOM 0 H GLU A 16 -0.536 18.928 -12.771 1.00 0.00 H new ATOM 0 HA GLU A 16 0.191 16.707 -14.450 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.696 18.938 -15.168 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.850 19.644 -14.741 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.905 17.337 -16.656 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.219 18.838 -17.245 1.00 0.00 H new ATOM 235 N GLU A 17 2.586 18.171 -12.689 1.00 0.00 N ATOM 236 CA GLU A 17 4.025 18.135 -12.308 1.00 0.00 C ATOM 237 C GLU A 17 4.271 16.859 -11.456 1.00 0.00 C ATOM 238 O GLU A 17 5.318 16.213 -11.575 1.00 0.00 O ATOM 239 CB GLU A 17 4.448 19.450 -11.589 1.00 0.00 C ATOM 240 CG GLU A 17 3.829 20.762 -12.126 1.00 0.00 C ATOM 241 CD GLU A 17 4.471 22.035 -11.563 1.00 0.00 C ATOM 242 OE1 GLU A 17 4.929 22.018 -10.399 1.00 0.00 O ATOM 243 OE2 GLU A 17 4.523 23.056 -12.284 1.00 0.00 O ATOM 0 H GLU A 17 2.034 18.843 -12.156 1.00 0.00 H new ATOM 0 HA GLU A 17 4.656 18.079 -13.195 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.191 19.359 -10.534 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.533 19.536 -11.647 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.917 20.774 -13.212 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.764 20.771 -11.892 1.00 0.00 H new ATOM 250 N MET A 18 3.303 16.529 -10.581 1.00 0.00 N ATOM 251 CA MET A 18 3.401 15.367 -9.659 1.00 0.00 C ATOM 252 C MET A 18 3.410 14.071 -10.515 1.00 0.00 C ATOM 253 O MET A 18 4.096 13.098 -10.178 1.00 0.00 O ATOM 254 CB MET A 18 2.250 15.373 -8.613 1.00 0.00 C ATOM 255 CG MET A 18 2.338 16.459 -7.524 1.00 0.00 C ATOM 256 SD MET A 18 3.691 16.086 -6.386 1.00 0.00 S ATOM 257 CE MET A 18 2.787 15.459 -4.955 1.00 0.00 C ATOM 0 H MET A 18 2.433 17.053 -10.488 1.00 0.00 H new ATOM 0 HA MET A 18 4.325 15.423 -9.083 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.304 15.492 -9.142 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.222 14.398 -8.126 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.497 17.434 -7.984 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.397 16.514 -6.977 1.00 0.00 H new ATOM 0 HE1 MET A 18 3.492 15.188 -4.169 1.00 0.00 H new ATOM 0 HE2 MET A 18 2.111 16.230 -4.585 1.00 0.00 H new ATOM 0 HE3 MET A 18 2.211 14.580 -5.245 1.00 0.00 H new ATOM 267 N ILE A 19 2.638 14.074 -11.618 1.00 0.00 N ATOM 268 CA ILE A 19 2.446 12.881 -12.486 1.00 0.00 C ATOM 269 C ILE A 19 3.856 12.488 -13.005 1.00 0.00 C ATOM 270 O ILE A 19 4.154 11.299 -13.174 1.00 0.00 O ATOM 271 CB ILE A 19 1.372 13.137 -13.609 1.00 0.00 C ATOM 272 CG1 ILE A 19 -0.031 12.553 -13.247 1.00 0.00 C ATOM 273 CG2 ILE A 19 1.825 12.609 -14.998 1.00 0.00 C ATOM 274 CD1 ILE A 19 -0.951 13.476 -12.432 1.00 0.00 C ATOM 0 H ILE A 19 2.128 14.898 -11.938 1.00 0.00 H new ATOM 0 HA ILE A 19 2.026 12.039 -11.937 1.00 0.00 H new ATOM 0 HB ILE A 19 1.279 14.221 -13.672 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.542 12.287 -14.172 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.115 11.630 -12.686 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.048 12.811 -15.735 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.746 13.110 -15.295 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.999 11.535 -14.940 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.896 12.969 -12.238 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.471 13.724 -11.485 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.139 14.391 -12.994 1.00 0.00 H new ATOM 286 N ALA A 20 4.700 13.499 -13.284 1.00 0.00 N ATOM 287 CA ALA A 20 6.060 13.289 -13.850 1.00 0.00 C ATOM 288 C ALA A 20 6.887 12.357 -12.922 1.00 0.00 C ATOM 289 O ALA A 20 7.633 11.493 -13.398 1.00 0.00 O ATOM 290 CB ALA A 20 6.740 14.658 -14.045 1.00 0.00 C ATOM 0 H ALA A 20 4.468 14.480 -13.128 1.00 0.00 H new ATOM 0 HA ALA A 20 5.992 12.799 -14.821 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.738 14.513 -14.460 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.147 15.265 -14.730 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.817 15.166 -13.084 1.00 0.00 H new ATOM 296 N GLU A 21 6.763 12.569 -11.599 1.00 0.00 N ATOM 297 CA GLU A 21 7.499 11.779 -10.578 1.00 0.00 C ATOM 298 C GLU A 21 7.314 10.270 -10.897 1.00 0.00 C ATOM 299 O GLU A 21 8.266 9.485 -10.831 1.00 0.00 O ATOM 300 CB GLU A 21 7.030 12.175 -9.148 1.00 0.00 C ATOM 301 CG GLU A 21 7.900 11.675 -7.971 1.00 0.00 C ATOM 302 CD GLU A 21 7.105 11.316 -6.711 1.00 0.00 C ATOM 303 OE1 GLU A 21 6.720 12.236 -5.956 1.00 0.00 O ATOM 304 OE2 GLU A 21 6.862 10.112 -6.471 1.00 0.00 O ATOM 0 H GLU A 21 6.156 13.286 -11.203 1.00 0.00 H new ATOM 0 HA GLU A 21 8.567 11.995 -10.609 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.978 13.262 -9.095 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.016 11.800 -9.006 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.461 10.798 -8.295 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.629 12.445 -7.720 1.00 0.00 H new ATOM 311 N PHE A 22 6.066 9.881 -11.217 1.00 0.00 N ATOM 312 CA PHE A 22 5.684 8.462 -11.442 1.00 0.00 C ATOM 313 C PHE A 22 6.157 8.027 -12.857 1.00 0.00 C ATOM 314 O PHE A 22 6.419 6.840 -13.090 1.00 0.00 O ATOM 315 CB PHE A 22 4.148 8.274 -11.254 1.00 0.00 C ATOM 316 CG PHE A 22 3.661 8.279 -9.790 1.00 0.00 C ATOM 317 CD1 PHE A 22 3.440 9.491 -9.125 1.00 0.00 C ATOM 318 CD2 PHE A 22 3.458 7.076 -9.105 1.00 0.00 C ATOM 319 CE1 PHE A 22 3.073 9.499 -7.781 1.00 0.00 C ATOM 320 CE2 PHE A 22 3.097 7.086 -7.760 1.00 0.00 C ATOM 321 CZ PHE A 22 2.909 8.297 -7.098 1.00 0.00 C ATOM 0 H PHE A 22 5.291 10.535 -11.328 1.00 0.00 H new ATOM 0 HA PHE A 22 6.173 7.824 -10.706 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.632 9.067 -11.795 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.854 7.331 -11.715 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.555 10.424 -9.656 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.582 6.136 -9.622 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.916 10.437 -7.269 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.963 6.155 -7.230 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.636 8.304 -6.053 1.00 0.00 H new ATOM 331 N LYS A 23 6.231 8.988 -13.795 1.00 0.00 N ATOM 332 CA LYS A 23 6.589 8.727 -15.216 1.00 0.00 C ATOM 333 C LYS A 23 7.897 7.891 -15.240 1.00 0.00 C ATOM 334 O LYS A 23 7.968 6.847 -15.901 1.00 0.00 O ATOM 335 CB LYS A 23 6.762 10.056 -16.010 1.00 0.00 C ATOM 336 CG LYS A 23 5.480 10.706 -16.584 1.00 0.00 C ATOM 337 CD LYS A 23 5.727 11.857 -17.582 1.00 0.00 C ATOM 338 CE LYS A 23 7.005 11.658 -18.415 1.00 0.00 C ATOM 339 NZ LYS A 23 7.401 12.900 -19.102 1.00 0.00 N ATOM 0 H LYS A 23 6.046 9.971 -13.597 1.00 0.00 H new ATOM 0 HA LYS A 23 5.784 8.174 -15.701 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.245 10.781 -15.355 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.446 9.869 -16.838 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.890 9.935 -17.079 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.880 11.084 -15.756 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.871 11.941 -18.252 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.798 12.797 -17.035 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.815 11.326 -17.766 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.842 10.870 -19.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.266 12.731 -19.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.637 13.203 -19.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.580 13.644 -18.398 1.00 0.00 H new ATOM 353 N ALA A 24 8.935 8.380 -14.536 1.00 0.00 N ATOM 354 CA ALA A 24 10.288 7.763 -14.544 1.00 0.00 C ATOM 355 C ALA A 24 10.180 6.230 -14.314 1.00 0.00 C ATOM 356 O ALA A 24 10.493 5.429 -15.203 1.00 0.00 O ATOM 357 CB ALA A 24 11.158 8.444 -13.470 1.00 0.00 C ATOM 0 H ALA A 24 8.867 9.210 -13.946 1.00 0.00 H new ATOM 0 HA ALA A 24 10.761 7.911 -15.515 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.152 7.997 -13.470 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.239 9.509 -13.689 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.699 8.309 -12.491 1.00 0.00 H new ATOM 363 N ALA A 25 9.761 5.841 -13.096 1.00 0.00 N ATOM 364 CA ALA A 25 9.706 4.418 -12.668 1.00 0.00 C ATOM 365 C ALA A 25 8.741 3.601 -13.571 1.00 0.00 C ATOM 366 O ALA A 25 8.890 2.378 -13.697 1.00 0.00 O ATOM 367 CB ALA A 25 9.283 4.360 -11.185 1.00 0.00 C ATOM 0 H ALA A 25 9.451 6.496 -12.378 1.00 0.00 H new ATOM 0 HA ALA A 25 10.692 3.966 -12.774 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.239 3.321 -10.860 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.010 4.900 -10.578 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.301 4.818 -11.069 1.00 0.00 H new ATOM 373 N PHE A 26 7.757 4.285 -14.186 1.00 0.00 N ATOM 374 CA PHE A 26 6.690 3.624 -14.987 1.00 0.00 C ATOM 375 C PHE A 26 7.354 2.966 -16.227 1.00 0.00 C ATOM 376 O PHE A 26 7.062 1.811 -16.559 1.00 0.00 O ATOM 377 CB PHE A 26 5.570 4.632 -15.387 1.00 0.00 C ATOM 378 CG PHE A 26 4.613 4.138 -16.496 1.00 0.00 C ATOM 379 CD1 PHE A 26 3.648 3.165 -16.211 1.00 0.00 C ATOM 380 CD2 PHE A 26 4.685 4.675 -17.786 1.00 0.00 C ATOM 381 CE1 PHE A 26 2.735 2.774 -17.187 1.00 0.00 C ATOM 382 CE2 PHE A 26 3.767 4.285 -18.760 1.00 0.00 C ATOM 383 CZ PHE A 26 2.794 3.335 -18.459 1.00 0.00 C ATOM 0 H PHE A 26 7.673 5.301 -14.147 1.00 0.00 H new ATOM 0 HA PHE A 26 6.199 2.855 -14.391 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.982 4.870 -14.500 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.038 5.559 -15.718 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.611 2.715 -15.230 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.454 5.394 -18.028 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.981 2.036 -16.957 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.810 4.719 -19.748 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.084 3.033 -19.215 1.00 0.00 H new ATOM 393 N ASP A 27 8.224 3.726 -16.917 1.00 0.00 N ATOM 394 CA ASP A 27 8.925 3.250 -18.139 1.00 0.00 C ATOM 395 C ASP A 27 9.854 2.066 -17.752 1.00 0.00 C ATOM 396 O ASP A 27 10.088 1.162 -18.564 1.00 0.00 O ATOM 397 CB ASP A 27 9.686 4.405 -18.852 1.00 0.00 C ATOM 398 CG ASP A 27 11.191 4.517 -18.559 1.00 0.00 C ATOM 399 OD1 ASP A 27 11.602 4.316 -17.394 1.00 0.00 O ATOM 400 OD2 ASP A 27 11.968 4.816 -19.494 1.00 0.00 O ATOM 0 H ASP A 27 8.464 4.681 -16.652 1.00 0.00 H new ATOM 0 HA ASP A 27 8.195 2.894 -18.866 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.556 4.287 -19.928 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.213 5.347 -18.575 1.00 0.00 H new ATOM 405 N MET A 28 10.371 2.089 -16.507 1.00 0.00 N ATOM 406 CA MET A 28 11.255 1.013 -15.980 1.00 0.00 C ATOM 407 C MET A 28 10.503 -0.336 -16.141 1.00 0.00 C ATOM 408 O MET A 28 11.089 -1.340 -16.562 1.00 0.00 O ATOM 409 CB MET A 28 11.678 1.275 -14.506 1.00 0.00 C ATOM 410 CG MET A 28 13.079 0.774 -14.110 1.00 0.00 C ATOM 411 SD MET A 28 13.402 1.148 -12.372 1.00 0.00 S ATOM 412 CE MET A 28 13.490 2.950 -12.408 1.00 0.00 C ATOM 0 H MET A 28 10.195 2.841 -15.841 1.00 0.00 H new ATOM 0 HA MET A 28 12.186 0.987 -16.546 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.631 2.348 -14.320 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.946 0.805 -13.849 1.00 0.00 H new ATOM 0 HG2 MET A 28 13.151 -0.300 -14.279 1.00 0.00 H new ATOM 0 HG3 MET A 28 13.834 1.246 -14.738 1.00 0.00 H new ATOM 0 HE1 MET A 28 14.422 3.278 -11.947 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.455 3.295 -13.441 1.00 0.00 H new ATOM 0 HE3 MET A 28 12.647 3.367 -11.857 1.00 0.00 H new ATOM 422 N PHE A 29 9.206 -0.345 -15.775 1.00 0.00 N ATOM 423 CA PHE A 29 8.377 -1.580 -15.764 1.00 0.00 C ATOM 424 C PHE A 29 8.076 -1.985 -17.232 1.00 0.00 C ATOM 425 O PHE A 29 7.951 -3.174 -17.547 1.00 0.00 O ATOM 426 CB PHE A 29 7.074 -1.363 -14.937 1.00 0.00 C ATOM 427 CG PHE A 29 7.285 -1.109 -13.431 1.00 0.00 C ATOM 428 CD1 PHE A 29 7.911 -2.072 -12.630 1.00 0.00 C ATOM 429 CD2 PHE A 29 6.860 0.092 -12.851 1.00 0.00 C ATOM 430 CE1 PHE A 29 8.113 -1.834 -11.272 1.00 0.00 C ATOM 431 CE2 PHE A 29 7.062 0.327 -11.493 1.00 0.00 C ATOM 432 CZ PHE A 29 7.688 -0.635 -10.706 1.00 0.00 C ATOM 0 H PHE A 29 8.702 0.491 -15.480 1.00 0.00 H new ATOM 0 HA PHE A 29 8.919 -2.392 -15.280 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.532 -0.517 -15.359 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.438 -2.240 -15.055 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.239 -3.004 -13.067 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.373 0.840 -13.459 1.00 0.00 H new ATOM 0 HE1 PHE A 29 8.599 -2.579 -10.659 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.733 1.256 -11.051 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.845 -0.451 -9.653 1.00 0.00 H new ATOM 442 N ASP A 30 7.947 -0.977 -18.115 1.00 0.00 N ATOM 443 CA ASP A 30 7.688 -1.194 -19.563 1.00 0.00 C ATOM 444 C ASP A 30 8.881 -1.983 -20.169 1.00 0.00 C ATOM 445 O ASP A 30 9.991 -1.967 -19.624 1.00 0.00 O ATOM 446 CB ASP A 30 7.418 0.147 -20.306 1.00 0.00 C ATOM 447 CG ASP A 30 7.292 0.059 -21.837 1.00 0.00 C ATOM 448 OD1 ASP A 30 6.204 -0.304 -22.335 1.00 0.00 O ATOM 449 OD2 ASP A 30 8.284 0.349 -22.542 1.00 0.00 O ATOM 0 H ASP A 30 8.018 0.006 -17.854 1.00 0.00 H new ATOM 0 HA ASP A 30 6.780 -1.784 -19.689 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.499 0.579 -19.910 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.225 0.840 -20.067 1.00 0.00 H new ATOM 454 N ALA A 31 8.635 -2.656 -21.309 1.00 0.00 N ATOM 455 CA ALA A 31 9.668 -3.460 -22.016 1.00 0.00 C ATOM 456 C ALA A 31 9.672 -3.106 -23.528 1.00 0.00 C ATOM 457 O ALA A 31 10.700 -2.698 -24.079 1.00 0.00 O ATOM 458 CB ALA A 31 9.394 -4.958 -21.775 1.00 0.00 C ATOM 0 H ALA A 31 7.724 -2.663 -21.768 1.00 0.00 H new ATOM 0 HA ALA A 31 10.659 -3.228 -21.626 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.148 -5.553 -22.291 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.435 -5.168 -20.706 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.406 -5.213 -22.158 1.00 0.00 H new ATOM 464 N ASP A 32 8.499 -3.254 -24.175 1.00 0.00 N ATOM 465 CA ASP A 32 8.323 -2.968 -25.623 1.00 0.00 C ATOM 466 C ASP A 32 8.029 -1.453 -25.799 1.00 0.00 C ATOM 467 O ASP A 32 8.654 -0.778 -26.627 1.00 0.00 O ATOM 468 CB ASP A 32 7.225 -3.870 -26.258 1.00 0.00 C ATOM 469 CG ASP A 32 5.799 -3.293 -26.269 1.00 0.00 C ATOM 470 OD1 ASP A 32 5.437 -2.592 -27.240 1.00 0.00 O ATOM 471 OD2 ASP A 32 5.040 -3.536 -25.305 1.00 0.00 O ATOM 0 H ASP A 32 7.646 -3.574 -23.715 1.00 0.00 H new ATOM 0 HA ASP A 32 9.241 -3.209 -26.159 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.514 -4.091 -27.286 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.207 -4.819 -25.721 1.00 0.00 H new ATOM 476 N GLY A 33 7.088 -0.927 -24.992 1.00 0.00 N ATOM 477 CA GLY A 33 6.719 0.513 -25.013 1.00 0.00 C ATOM 478 C GLY A 33 5.431 0.762 -25.840 1.00 0.00 C ATOM 479 O GLY A 33 5.439 0.680 -27.075 1.00 0.00 O ATOM 0 H GLY A 33 6.563 -1.477 -24.311 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.570 0.866 -23.992 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.540 1.093 -25.434 1.00 0.00 H new ATOM 483 N GLY A 34 4.328 1.098 -25.142 1.00 0.00 N ATOM 484 CA GLY A 34 3.044 1.461 -25.793 1.00 0.00 C ATOM 485 C GLY A 34 2.076 2.089 -24.760 1.00 0.00 C ATOM 486 O GLY A 34 0.861 1.859 -24.798 1.00 0.00 O ATOM 0 H GLY A 34 4.296 1.127 -24.123 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.226 2.165 -26.605 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.589 0.575 -26.235 1.00 0.00 H new ATOM 490 N GLY A 35 2.632 2.915 -23.850 1.00 0.00 N ATOM 491 CA GLY A 35 1.843 3.589 -22.788 1.00 0.00 C ATOM 492 C GLY A 35 0.959 2.559 -22.040 1.00 0.00 C ATOM 493 O GLY A 35 -0.192 2.848 -21.689 1.00 0.00 O ATOM 0 H GLY A 35 3.628 3.134 -23.826 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.514 4.082 -22.084 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.216 4.365 -23.228 1.00 0.00 H new ATOM 497 N ASP A 36 1.517 1.355 -21.807 1.00 0.00 N ATOM 498 CA ASP A 36 0.856 0.286 -21.015 1.00 0.00 C ATOM 499 C ASP A 36 1.873 -0.867 -20.790 1.00 0.00 C ATOM 500 O ASP A 36 2.912 -0.929 -21.457 1.00 0.00 O ATOM 501 CB ASP A 36 -0.461 -0.200 -21.689 1.00 0.00 C ATOM 502 CG ASP A 36 -0.295 -1.076 -22.943 1.00 0.00 C ATOM 503 OD1 ASP A 36 0.159 -2.234 -22.815 1.00 0.00 O ATOM 504 OD2 ASP A 36 -0.625 -0.609 -24.056 1.00 0.00 O ATOM 0 H ASP A 36 2.437 1.091 -22.160 1.00 0.00 H new ATOM 0 HA ASP A 36 0.556 0.681 -20.045 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.037 -0.760 -20.953 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.053 0.675 -21.957 1.00 0.00 H new ATOM 509 N ILE A 37 1.541 -1.788 -19.866 1.00 0.00 N ATOM 510 CA ILE A 37 2.406 -2.944 -19.504 1.00 0.00 C ATOM 511 C ILE A 37 1.525 -4.216 -19.367 1.00 0.00 C ATOM 512 O ILE A 37 0.736 -4.333 -18.418 1.00 0.00 O ATOM 513 CB ILE A 37 3.311 -2.696 -18.240 1.00 0.00 C ATOM 514 CG1 ILE A 37 4.213 -1.424 -18.303 1.00 0.00 C ATOM 515 CG2 ILE A 37 4.131 -3.961 -17.883 1.00 0.00 C ATOM 516 CD1 ILE A 37 3.974 -0.377 -17.202 1.00 0.00 C ATOM 0 H ILE A 37 0.665 -1.758 -19.344 1.00 0.00 H new ATOM 0 HA ILE A 37 3.122 -3.088 -20.313 1.00 0.00 H new ATOM 0 HB ILE A 37 2.610 -2.486 -17.432 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.256 -1.739 -18.258 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.066 -0.945 -19.271 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.747 -3.760 -17.006 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.452 -4.786 -17.668 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.772 -4.228 -18.723 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.655 0.462 -17.344 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.945 -0.022 -17.255 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.153 -0.828 -16.226 1.00 0.00 H new ATOM 528 N SER A 38 1.684 -5.176 -20.297 1.00 0.00 N ATOM 529 CA SER A 38 0.994 -6.492 -20.231 1.00 0.00 C ATOM 530 C SER A 38 1.631 -7.359 -19.109 1.00 0.00 C ATOM 531 O SER A 38 2.634 -6.965 -18.503 1.00 0.00 O ATOM 532 CB SER A 38 1.053 -7.170 -21.619 1.00 0.00 C ATOM 533 OG SER A 38 1.064 -8.590 -21.517 1.00 0.00 O ATOM 0 H SER A 38 2.288 -5.070 -21.112 1.00 0.00 H new ATOM 0 HA SER A 38 -0.058 -6.363 -19.977 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.195 -6.856 -22.213 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.946 -6.837 -22.148 1.00 0.00 H new ATOM 0 HG SER A 38 1.100 -8.982 -22.414 1.00 0.00 H new ATOM 539 N THR A 39 1.009 -8.522 -18.830 1.00 0.00 N ATOM 540 CA THR A 39 1.484 -9.471 -17.786 1.00 0.00 C ATOM 541 C THR A 39 2.914 -9.964 -18.143 1.00 0.00 C ATOM 542 O THR A 39 3.675 -10.360 -17.246 1.00 0.00 O ATOM 543 CB THR A 39 0.488 -10.654 -17.560 1.00 0.00 C ATOM 544 OG1 THR A 39 -0.353 -10.828 -18.698 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.414 -10.525 -16.318 1.00 0.00 C ATOM 0 H THR A 39 0.168 -8.835 -19.315 1.00 0.00 H new ATOM 0 HA THR A 39 1.528 -8.942 -16.834 1.00 0.00 H new ATOM 0 HB THR A 39 1.134 -11.517 -17.396 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.968 -11.574 -18.539 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.067 -11.395 -16.251 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.205 -10.466 -15.423 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.019 -9.622 -16.400 1.00 0.00 H new ATOM 553 N LYS A 40 3.271 -9.955 -19.442 1.00 0.00 N ATOM 554 CA LYS A 40 4.605 -10.418 -19.915 1.00 0.00 C ATOM 555 C LYS A 40 5.669 -9.354 -19.528 1.00 0.00 C ATOM 556 O LYS A 40 6.600 -9.641 -18.763 1.00 0.00 O ATOM 557 CB LYS A 40 4.554 -10.721 -21.442 1.00 0.00 C ATOM 558 CG LYS A 40 5.356 -11.964 -21.922 1.00 0.00 C ATOM 559 CD LYS A 40 4.573 -13.191 -22.447 1.00 0.00 C ATOM 560 CE LYS A 40 4.038 -14.181 -21.389 1.00 0.00 C ATOM 561 NZ LYS A 40 2.993 -13.614 -20.517 1.00 0.00 N ATOM 0 H LYS A 40 2.657 -9.632 -20.190 1.00 0.00 H new ATOM 0 HA LYS A 40 4.889 -11.353 -19.432 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.511 -10.854 -21.730 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.924 -9.847 -21.977 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.030 -11.638 -22.714 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.978 -12.298 -21.091 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.727 -12.829 -23.032 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.221 -13.741 -23.130 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.638 -15.059 -21.896 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.869 -14.521 -20.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.647 -14.349 -19.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.390 -12.825 -19.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.204 -13.268 -21.100 1.00 0.00 H new ATOM 575 N GLU A 41 5.536 -8.139 -20.090 1.00 0.00 N ATOM 576 CA GLU A 41 6.535 -7.049 -19.915 1.00 0.00 C ATOM 577 C GLU A 41 6.845 -6.878 -18.403 1.00 0.00 C ATOM 578 O GLU A 41 8.011 -6.755 -18.008 1.00 0.00 O ATOM 579 CB GLU A 41 6.056 -5.725 -20.581 1.00 0.00 C ATOM 580 CG GLU A 41 4.719 -5.741 -21.364 1.00 0.00 C ATOM 581 CD GLU A 41 4.430 -4.449 -22.136 1.00 0.00 C ATOM 582 OE1 GLU A 41 5.082 -3.419 -21.856 1.00 0.00 O ATOM 583 OE2 GLU A 41 3.550 -4.459 -23.025 1.00 0.00 O ATOM 0 H GLU A 41 4.742 -7.878 -20.675 1.00 0.00 H new ATOM 0 HA GLU A 41 7.460 -7.320 -20.424 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.975 -4.970 -19.799 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.838 -5.394 -21.264 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.731 -6.575 -22.065 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.903 -5.924 -20.665 1.00 0.00 H new ATOM 590 N LEU A 42 5.785 -6.840 -17.575 1.00 0.00 N ATOM 591 CA LEU A 42 5.896 -6.568 -16.117 1.00 0.00 C ATOM 592 C LEU A 42 6.920 -7.566 -15.511 1.00 0.00 C ATOM 593 O LEU A 42 7.752 -7.189 -14.676 1.00 0.00 O ATOM 594 CB LEU A 42 4.504 -6.678 -15.425 1.00 0.00 C ATOM 595 CG LEU A 42 4.268 -5.820 -14.148 1.00 0.00 C ATOM 596 CD1 LEU A 42 5.315 -6.095 -13.049 1.00 0.00 C ATOM 597 CD2 LEU A 42 4.244 -4.315 -14.483 1.00 0.00 C ATOM 0 H LEU A 42 4.827 -6.996 -17.890 1.00 0.00 H new ATOM 0 HA LEU A 42 6.247 -5.549 -15.951 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.742 -6.409 -16.157 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.340 -7.723 -15.163 1.00 0.00 H new ATOM 0 HG LEU A 42 3.293 -6.115 -13.759 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.104 -5.471 -12.181 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.272 -7.145 -12.760 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.310 -5.864 -13.429 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.077 -3.742 -13.571 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.198 -4.025 -14.925 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.440 -4.113 -15.191 1.00 0.00 H new ATOM 609 N GLY A 43 6.825 -8.845 -15.920 1.00 0.00 N ATOM 610 CA GLY A 43 7.651 -9.942 -15.357 1.00 0.00 C ATOM 611 C GLY A 43 9.143 -9.525 -15.279 1.00 0.00 C ATOM 612 O GLY A 43 9.840 -9.853 -14.309 1.00 0.00 O ATOM 0 H GLY A 43 6.178 -9.151 -16.647 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.289 -10.202 -14.362 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.550 -10.834 -15.976 1.00 0.00 H new ATOM 616 N THR A 44 9.623 -8.828 -16.326 1.00 0.00 N ATOM 617 CA THR A 44 11.052 -8.443 -16.463 1.00 0.00 C ATOM 618 C THR A 44 11.521 -7.780 -15.139 1.00 0.00 C ATOM 619 O THR A 44 12.490 -8.229 -14.516 1.00 0.00 O ATOM 620 CB THR A 44 11.296 -7.536 -17.710 1.00 0.00 C ATOM 621 OG1 THR A 44 11.238 -8.305 -18.910 1.00 0.00 O ATOM 622 CG2 THR A 44 12.626 -6.760 -17.707 1.00 0.00 C ATOM 0 H THR A 44 9.039 -8.514 -17.101 1.00 0.00 H new ATOM 0 HA THR A 44 11.652 -9.336 -16.637 1.00 0.00 H new ATOM 0 HB THR A 44 10.496 -6.797 -17.661 1.00 0.00 H new ATOM 0 HG1 THR A 44 11.391 -7.720 -19.681 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.700 -6.161 -18.615 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.664 -6.106 -16.836 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.458 -7.464 -17.668 1.00 0.00 H new ATOM 630 N VAL A 45 10.833 -6.692 -14.742 1.00 0.00 N ATOM 631 CA VAL A 45 11.210 -5.868 -13.562 1.00 0.00 C ATOM 632 C VAL A 45 11.194 -6.799 -12.318 1.00 0.00 C ATOM 633 O VAL A 45 12.050 -6.681 -11.432 1.00 0.00 O ATOM 634 CB VAL A 45 10.296 -4.599 -13.414 1.00 0.00 C ATOM 635 CG1 VAL A 45 9.905 -4.310 -11.945 1.00 0.00 C ATOM 636 CG2 VAL A 45 10.903 -3.306 -14.013 1.00 0.00 C ATOM 0 H VAL A 45 10.000 -6.355 -15.225 1.00 0.00 H new ATOM 0 HA VAL A 45 12.213 -5.459 -13.683 1.00 0.00 H new ATOM 0 HB VAL A 45 9.409 -4.862 -13.990 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.274 -3.422 -11.904 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.360 -5.162 -11.539 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.806 -4.142 -11.355 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.209 -2.478 -13.869 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.845 -3.081 -13.513 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.082 -3.448 -15.079 1.00 0.00 H new ATOM 646 N MET A 46 10.197 -7.701 -12.253 1.00 0.00 N ATOM 647 CA MET A 46 9.978 -8.589 -11.080 1.00 0.00 C ATOM 648 C MET A 46 11.288 -9.386 -10.834 1.00 0.00 C ATOM 649 O MET A 46 11.661 -9.649 -9.684 1.00 0.00 O ATOM 650 CB MET A 46 8.752 -9.520 -11.292 1.00 0.00 C ATOM 651 CG MET A 46 7.377 -8.825 -11.311 1.00 0.00 C ATOM 652 SD MET A 46 6.149 -9.858 -10.481 1.00 0.00 S ATOM 653 CE MET A 46 6.341 -9.326 -8.767 1.00 0.00 C ATOM 0 H MET A 46 9.521 -7.840 -13.004 1.00 0.00 H new ATOM 0 HA MET A 46 9.745 -7.995 -10.196 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.882 -10.052 -12.235 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.748 -10.270 -10.501 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.443 -7.856 -10.816 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.070 -8.637 -12.340 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.646 -9.878 -8.135 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.362 -9.519 -8.438 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.131 -8.259 -8.692 1.00 0.00 H new ATOM 663 N ARG A 47 11.960 -9.782 -11.931 1.00 0.00 N ATOM 664 CA ARG A 47 13.177 -10.635 -11.879 1.00 0.00 C ATOM 665 C ARG A 47 14.289 -9.879 -11.099 1.00 0.00 C ATOM 666 O ARG A 47 14.924 -10.445 -10.202 1.00 0.00 O ATOM 667 CB ARG A 47 13.646 -11.005 -13.313 1.00 0.00 C ATOM 668 CG ARG A 47 13.586 -12.514 -13.648 1.00 0.00 C ATOM 669 CD ARG A 47 14.414 -12.892 -14.892 1.00 0.00 C ATOM 670 NE ARG A 47 15.874 -12.881 -14.618 1.00 0.00 N ATOM 671 CZ ARG A 47 16.716 -11.881 -14.956 1.00 0.00 C ATOM 672 NH1 ARG A 47 16.342 -10.773 -15.594 1.00 0.00 N ATOM 673 NH2 ARG A 47 17.991 -12.011 -14.637 1.00 0.00 N ATOM 0 H ARG A 47 11.682 -9.525 -12.878 1.00 0.00 H new ATOM 0 HA ARG A 47 12.951 -11.567 -11.361 1.00 0.00 H new ATOM 0 HB2 ARG A 47 13.031 -10.463 -14.032 1.00 0.00 H new ATOM 0 HB3 ARG A 47 14.671 -10.659 -13.445 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.947 -13.084 -12.792 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.547 -12.803 -13.809 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.118 -13.883 -15.236 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.192 -12.195 -15.700 1.00 0.00 H new ATOM 0 HE ARG A 47 16.270 -13.689 -14.139 1.00 0.00 H new ATOM 0 HH11 ARG A 47 15.366 -10.641 -15.858 1.00 0.00 H new ATOM 0 HH12 ARG A 47 17.032 -10.056 -15.819 1.00 0.00 H new ATOM 0 HH21 ARG A 47 18.312 -12.848 -14.150 1.00 0.00 H new ATOM 0 HH22 ARG A 47 18.655 -11.275 -14.877 1.00 0.00 H new ATOM 687 N MET A 48 14.512 -8.603 -11.471 1.00 0.00 N ATOM 688 CA MET A 48 15.530 -7.736 -10.818 1.00 0.00 C ATOM 689 C MET A 48 15.343 -7.844 -9.279 1.00 0.00 C ATOM 690 O MET A 48 16.316 -7.744 -8.521 1.00 0.00 O ATOM 691 CB MET A 48 15.438 -6.264 -11.315 1.00 0.00 C ATOM 692 CG MET A 48 14.572 -5.319 -10.462 1.00 0.00 C ATOM 693 SD MET A 48 15.611 -4.065 -9.679 1.00 0.00 S ATOM 694 CE MET A 48 15.424 -2.685 -10.827 1.00 0.00 C ATOM 0 H MET A 48 14.001 -8.142 -12.224 1.00 0.00 H new ATOM 0 HA MET A 48 16.530 -8.076 -11.087 1.00 0.00 H new ATOM 0 HB2 MET A 48 16.447 -5.854 -11.366 1.00 0.00 H new ATOM 0 HB3 MET A 48 15.044 -6.268 -12.331 1.00 0.00 H new ATOM 0 HG2 MET A 48 13.818 -4.840 -11.087 1.00 0.00 H new ATOM 0 HG3 MET A 48 14.039 -5.889 -9.701 1.00 0.00 H new ATOM 0 HE1 MET A 48 16.010 -1.836 -10.474 1.00 0.00 H new ATOM 0 HE2 MET A 48 15.776 -2.983 -11.815 1.00 0.00 H new ATOM 0 HE3 MET A 48 14.373 -2.401 -10.886 1.00 0.00 H new ATOM 704 N LEU A 49 14.085 -8.015 -8.833 1.00 0.00 N ATOM 705 CA LEU A 49 13.721 -8.028 -7.390 1.00 0.00 C ATOM 706 C LEU A 49 14.682 -8.999 -6.654 1.00 0.00 C ATOM 707 O LEU A 49 15.320 -8.634 -5.660 1.00 0.00 O ATOM 708 CB LEU A 49 12.228 -8.434 -7.199 1.00 0.00 C ATOM 709 CG LEU A 49 11.575 -8.134 -5.818 1.00 0.00 C ATOM 710 CD1 LEU A 49 11.587 -9.381 -4.912 1.00 0.00 C ATOM 711 CD2 LEU A 49 12.247 -6.951 -5.091 1.00 0.00 C ATOM 0 H LEU A 49 13.288 -8.148 -9.455 1.00 0.00 H new ATOM 0 HA LEU A 49 13.828 -7.030 -6.966 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.641 -7.929 -7.966 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.143 -9.504 -7.386 1.00 0.00 H new ATOM 0 HG LEU A 49 10.542 -7.853 -6.024 1.00 0.00 H new ATOM 0 HD11 LEU A 49 11.124 -9.140 -3.955 1.00 0.00 H new ATOM 0 HD12 LEU A 49 11.029 -10.185 -5.392 1.00 0.00 H new ATOM 0 HD13 LEU A 49 12.616 -9.701 -4.747 1.00 0.00 H new ATOM 0 HD21 LEU A 49 11.753 -6.784 -4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.299 -7.178 -4.922 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.164 -6.053 -5.703 1.00 0.00 H new ATOM 723 N GLY A 50 14.797 -10.237 -7.176 1.00 0.00 N ATOM 724 CA GLY A 50 15.719 -11.260 -6.620 1.00 0.00 C ATOM 725 C GLY A 50 15.005 -12.633 -6.528 1.00 0.00 C ATOM 726 O GLY A 50 15.040 -13.294 -5.481 1.00 0.00 O ATOM 0 H GLY A 50 14.263 -10.557 -7.984 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.604 -11.344 -7.251 1.00 0.00 H new ATOM 0 HA3 GLY A 50 16.061 -10.953 -5.632 1.00 0.00 H new ATOM 730 N GLN A 51 14.384 -13.059 -7.643 1.00 0.00 N ATOM 731 CA GLN A 51 13.584 -14.310 -7.713 1.00 0.00 C ATOM 732 C GLN A 51 13.544 -14.780 -9.192 1.00 0.00 C ATOM 733 O GLN A 51 14.323 -14.303 -10.027 1.00 0.00 O ATOM 734 CB GLN A 51 12.164 -14.075 -7.121 1.00 0.00 C ATOM 735 CG GLN A 51 11.870 -14.756 -5.762 1.00 0.00 C ATOM 736 CD GLN A 51 10.393 -15.130 -5.542 1.00 0.00 C ATOM 737 OE1 GLN A 51 10.074 -16.065 -4.809 1.00 0.00 O ATOM 738 NE2 GLN A 51 9.467 -14.414 -6.162 1.00 0.00 N ATOM 0 H GLN A 51 14.419 -12.549 -8.526 1.00 0.00 H new ATOM 0 HA GLN A 51 14.041 -15.097 -7.113 1.00 0.00 H new ATOM 0 HB2 GLN A 51 12.014 -13.002 -7.006 1.00 0.00 H new ATOM 0 HB3 GLN A 51 11.428 -14.424 -7.846 1.00 0.00 H new ATOM 0 HG2 GLN A 51 12.476 -15.659 -5.684 1.00 0.00 H new ATOM 0 HG3 GLN A 51 12.186 -14.089 -4.960 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.741 -13.641 -6.768 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.480 -14.636 -6.034 1.00 0.00 H new ATOM 747 N ASN A 52 12.610 -15.698 -9.505 1.00 0.00 N ATOM 748 CA ASN A 52 12.370 -16.168 -10.894 1.00 0.00 C ATOM 749 C ASN A 52 10.857 -16.547 -11.093 1.00 0.00 C ATOM 750 O ASN A 52 10.504 -17.702 -10.826 1.00 0.00 O ATOM 751 CB ASN A 52 13.323 -17.358 -11.193 1.00 0.00 C ATOM 752 CG ASN A 52 13.731 -17.503 -12.675 1.00 0.00 C ATOM 753 OD1 ASN A 52 13.139 -16.890 -13.563 1.00 0.00 O ATOM 754 ND2 ASN A 52 14.737 -18.313 -12.972 1.00 0.00 N ATOM 0 H ASN A 52 12.002 -16.135 -8.813 1.00 0.00 H new ATOM 0 HA ASN A 52 12.586 -15.371 -11.605 1.00 0.00 H new ATOM 0 HB2 ASN A 52 14.225 -17.243 -10.592 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.841 -18.281 -10.871 1.00 0.00 H new ATOM 0 HD21 ASN A 52 15.026 -18.432 -13.943 1.00 0.00 H new ATOM 0 HD22 ASN A 52 15.222 -18.817 -12.230 1.00 0.00 H new ATOM 761 N PRO A 53 9.949 -15.650 -11.588 1.00 0.00 N ATOM 762 CA PRO A 53 8.510 -15.961 -11.785 1.00 0.00 C ATOM 763 C PRO A 53 8.255 -16.744 -13.102 1.00 0.00 C ATOM 764 O PRO A 53 9.198 -17.118 -13.810 1.00 0.00 O ATOM 765 CB PRO A 53 7.874 -14.556 -11.753 1.00 0.00 C ATOM 766 CG PRO A 53 8.944 -13.607 -12.301 1.00 0.00 C ATOM 767 CD PRO A 53 10.272 -14.231 -11.878 1.00 0.00 C ATOM 0 HA PRO A 53 8.086 -16.627 -11.034 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.970 -14.521 -12.361 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.587 -14.279 -10.739 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.876 -13.518 -13.385 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.830 -12.603 -11.891 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.017 -14.149 -12.669 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.682 -13.731 -11.000 1.00 0.00 H new ATOM 775 N THR A 54 6.969 -17.001 -13.407 1.00 0.00 N ATOM 776 CA THR A 54 6.547 -17.735 -14.629 1.00 0.00 C ATOM 777 C THR A 54 5.459 -16.904 -15.363 1.00 0.00 C ATOM 778 O THR A 54 5.011 -15.861 -14.870 1.00 0.00 O ATOM 779 CB THR A 54 6.080 -19.190 -14.308 1.00 0.00 C ATOM 780 OG1 THR A 54 6.668 -20.119 -15.216 1.00 0.00 O ATOM 781 CG2 THR A 54 4.556 -19.409 -14.324 1.00 0.00 C ATOM 0 H THR A 54 6.189 -16.709 -12.818 1.00 0.00 H new ATOM 0 HA THR A 54 7.403 -17.851 -15.293 1.00 0.00 H new ATOM 0 HB THR A 54 6.414 -19.356 -13.284 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.365 -21.025 -14.998 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.336 -20.450 -14.089 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.088 -18.763 -13.582 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.164 -19.169 -15.313 1.00 0.00 H new ATOM 789 N LYS A 55 5.045 -17.384 -16.551 1.00 0.00 N ATOM 790 CA LYS A 55 4.094 -16.660 -17.437 1.00 0.00 C ATOM 791 C LYS A 55 2.665 -16.827 -16.852 1.00 0.00 C ATOM 792 O LYS A 55 1.859 -15.889 -16.876 1.00 0.00 O ATOM 793 CB LYS A 55 4.209 -17.188 -18.899 1.00 0.00 C ATOM 794 CG LYS A 55 5.533 -17.886 -19.295 1.00 0.00 C ATOM 795 CD LYS A 55 6.820 -17.176 -18.818 1.00 0.00 C ATOM 796 CE LYS A 55 6.804 -15.641 -18.971 1.00 0.00 C ATOM 797 NZ LYS A 55 7.227 -15.184 -20.310 1.00 0.00 N ATOM 0 H LYS A 55 5.355 -18.280 -16.928 1.00 0.00 H new ATOM 0 HA LYS A 55 4.330 -15.597 -17.476 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.392 -17.889 -19.070 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.054 -16.347 -19.575 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.526 -18.899 -18.892 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.567 -17.975 -20.381 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.986 -17.421 -17.769 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.667 -17.574 -19.377 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.798 -15.273 -18.770 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.460 -15.201 -18.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.082 -14.157 -20.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.234 -15.403 -20.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.663 -15.669 -21.037 1.00 0.00 H new ATOM 811 N GLU A 56 2.359 -18.042 -16.358 1.00 0.00 N ATOM 812 CA GLU A 56 1.004 -18.401 -15.864 1.00 0.00 C ATOM 813 C GLU A 56 0.761 -17.671 -14.516 1.00 0.00 C ATOM 814 O GLU A 56 -0.357 -17.227 -14.230 1.00 0.00 O ATOM 815 CB GLU A 56 0.856 -19.948 -15.770 1.00 0.00 C ATOM 816 CG GLU A 56 0.444 -20.682 -17.068 1.00 0.00 C ATOM 817 CD GLU A 56 -1.067 -20.708 -17.322 1.00 0.00 C ATOM 818 OE1 GLU A 56 -1.810 -19.978 -16.629 1.00 0.00 O ATOM 819 OE2 GLU A 56 -1.518 -21.459 -18.215 1.00 0.00 O ATOM 0 H GLU A 56 3.035 -18.802 -16.288 1.00 0.00 H new ATOM 0 HA GLU A 56 0.233 -18.072 -16.561 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.806 -20.362 -15.431 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.117 -20.174 -15.001 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.935 -20.203 -17.915 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.812 -21.707 -17.025 1.00 0.00 H new ATOM 826 N GLU A 57 1.824 -17.557 -13.698 1.00 0.00 N ATOM 827 CA GLU A 57 1.736 -16.985 -12.328 1.00 0.00 C ATOM 828 C GLU A 57 1.337 -15.487 -12.432 1.00 0.00 C ATOM 829 O GLU A 57 0.533 -14.991 -11.634 1.00 0.00 O ATOM 830 CB GLU A 57 3.059 -17.200 -11.537 1.00 0.00 C ATOM 831 CG GLU A 57 4.018 -15.992 -11.394 1.00 0.00 C ATOM 832 CD GLU A 57 4.924 -16.052 -10.160 1.00 0.00 C ATOM 833 OE1 GLU A 57 5.791 -16.951 -10.088 1.00 0.00 O ATOM 834 OE2 GLU A 57 4.774 -15.198 -9.258 1.00 0.00 O ATOM 0 H GLU A 57 2.764 -17.854 -13.959 1.00 0.00 H new ATOM 0 HA GLU A 57 0.965 -17.507 -11.761 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.799 -17.542 -10.535 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.609 -18.009 -12.017 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.641 -15.930 -12.286 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.428 -15.077 -11.353 1.00 0.00 H new ATOM 841 N LEU A 58 1.932 -14.775 -13.408 1.00 0.00 N ATOM 842 CA LEU A 58 1.740 -13.310 -13.575 1.00 0.00 C ATOM 843 C LEU A 58 0.245 -13.033 -13.892 1.00 0.00 C ATOM 844 O LEU A 58 -0.318 -12.026 -13.446 1.00 0.00 O ATOM 845 CB LEU A 58 2.721 -12.801 -14.670 1.00 0.00 C ATOM 846 CG LEU A 58 4.238 -12.849 -14.326 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.077 -13.037 -15.604 1.00 0.00 C ATOM 848 CD2 LEU A 58 4.724 -11.599 -13.561 1.00 0.00 C ATOM 0 H LEU A 58 2.556 -15.189 -14.101 1.00 0.00 H new ATOM 0 HA LEU A 58 1.973 -12.760 -12.663 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.558 -13.389 -15.573 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.459 -11.770 -14.909 1.00 0.00 H new ATOM 0 HG LEU A 58 4.375 -13.705 -13.665 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.135 -13.068 -15.343 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.795 -13.971 -16.090 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.895 -12.205 -16.284 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.789 -11.693 -13.350 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.551 -10.711 -14.168 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.175 -11.510 -12.623 1.00 0.00 H new ATOM 860 N ASP A 59 -0.385 -13.956 -14.642 1.00 0.00 N ATOM 861 CA ASP A 59 -1.793 -13.812 -15.099 1.00 0.00 C ATOM 862 C ASP A 59 -2.681 -13.465 -13.874 1.00 0.00 C ATOM 863 O ASP A 59 -3.670 -12.732 -13.999 1.00 0.00 O ATOM 864 CB ASP A 59 -2.282 -15.082 -15.854 1.00 0.00 C ATOM 865 CG ASP A 59 -3.756 -15.081 -16.295 1.00 0.00 C ATOM 866 OD1 ASP A 59 -4.072 -14.495 -17.354 1.00 0.00 O ATOM 867 OD2 ASP A 59 -4.600 -15.669 -15.583 1.00 0.00 O ATOM 0 H ASP A 59 0.059 -14.821 -14.951 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.864 -12.998 -15.821 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.659 -15.217 -16.738 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.116 -15.948 -15.213 1.00 0.00 H new ATOM 872 N ALA A 60 -2.330 -14.025 -12.701 1.00 0.00 N ATOM 873 CA ALA A 60 -3.125 -13.863 -11.455 1.00 0.00 C ATOM 874 C ALA A 60 -2.930 -12.432 -10.884 1.00 0.00 C ATOM 875 O ALA A 60 -3.896 -11.778 -10.473 1.00 0.00 O ATOM 876 CB ALA A 60 -2.707 -14.949 -10.444 1.00 0.00 C ATOM 0 H ALA A 60 -1.495 -14.599 -12.584 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.187 -13.986 -11.667 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.287 -14.836 -9.528 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.893 -15.935 -10.871 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.646 -14.846 -10.217 1.00 0.00 H new ATOM 882 N ILE A 61 -1.665 -11.978 -10.840 1.00 0.00 N ATOM 883 CA ILE A 61 -1.276 -10.639 -10.320 1.00 0.00 C ATOM 884 C ILE A 61 -2.250 -9.606 -10.945 1.00 0.00 C ATOM 885 O ILE A 61 -2.687 -8.663 -10.271 1.00 0.00 O ATOM 886 CB ILE A 61 0.256 -10.351 -10.562 1.00 0.00 C ATOM 887 CG1 ILE A 61 1.132 -11.260 -9.635 1.00 0.00 C ATOM 888 CG2 ILE A 61 0.643 -8.859 -10.389 1.00 0.00 C ATOM 889 CD1 ILE A 61 0.889 -12.779 -9.706 1.00 0.00 C ATOM 0 H ILE A 61 -0.871 -12.529 -11.165 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.374 -10.578 -9.236 1.00 0.00 H new ATOM 0 HB ILE A 61 0.454 -10.593 -11.606 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.180 -11.074 -9.872 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.977 -10.941 -8.604 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.711 -8.737 -10.571 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.082 -8.253 -11.100 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.408 -8.538 -9.374 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.561 -13.288 -9.015 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.144 -12.995 -9.433 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.078 -13.131 -10.720 1.00 0.00 H new ATOM 901 N ILE A 62 -2.580 -9.793 -12.237 1.00 0.00 N ATOM 902 CA ILE A 62 -3.410 -8.840 -13.024 1.00 0.00 C ATOM 903 C ILE A 62 -4.887 -9.125 -12.635 1.00 0.00 C ATOM 904 O ILE A 62 -5.707 -8.201 -12.561 1.00 0.00 O ATOM 905 CB ILE A 62 -3.101 -8.926 -14.565 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.767 -8.211 -14.954 1.00 0.00 C ATOM 907 CG2 ILE A 62 -4.266 -8.386 -15.438 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.594 -7.880 -16.446 1.00 0.00 C ATOM 0 H ILE A 62 -2.282 -10.608 -12.772 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.177 -7.802 -12.788 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.986 -9.990 -14.773 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.695 -7.284 -14.385 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.935 -8.842 -14.643 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.000 -8.469 -16.492 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.166 -8.969 -15.244 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.451 -7.340 -15.192 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.634 -7.386 -16.600 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.627 -8.800 -17.029 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.398 -7.218 -16.768 1.00 0.00 H new ATOM 920 N GLU A 63 -5.215 -10.413 -12.417 1.00 0.00 N ATOM 921 CA GLU A 63 -6.587 -10.848 -12.039 1.00 0.00 C ATOM 922 C GLU A 63 -7.083 -9.947 -10.874 1.00 0.00 C ATOM 923 O GLU A 63 -8.261 -9.575 -10.823 1.00 0.00 O ATOM 924 CB GLU A 63 -6.607 -12.367 -11.701 1.00 0.00 C ATOM 925 CG GLU A 63 -8.001 -13.027 -11.572 1.00 0.00 C ATOM 926 CD GLU A 63 -8.024 -14.517 -11.926 1.00 0.00 C ATOM 927 OE1 GLU A 63 -6.946 -15.153 -11.937 1.00 0.00 O ATOM 928 OE2 GLU A 63 -9.120 -15.060 -12.189 1.00 0.00 O ATOM 0 H GLU A 63 -4.548 -11.181 -12.495 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.278 -10.726 -12.873 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.049 -12.896 -12.474 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.071 -12.515 -10.763 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.357 -12.902 -10.549 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.702 -12.500 -12.220 1.00 0.00 H new ATOM 935 N GLU A 64 -6.165 -9.610 -9.949 1.00 0.00 N ATOM 936 CA GLU A 64 -6.482 -8.778 -8.758 1.00 0.00 C ATOM 937 C GLU A 64 -7.145 -7.460 -9.245 1.00 0.00 C ATOM 938 O GLU A 64 -8.349 -7.253 -9.059 1.00 0.00 O ATOM 939 CB GLU A 64 -5.203 -8.554 -7.901 1.00 0.00 C ATOM 940 CG GLU A 64 -5.062 -9.426 -6.631 1.00 0.00 C ATOM 941 CD GLU A 64 -5.541 -10.871 -6.805 1.00 0.00 C ATOM 942 OE1 GLU A 64 -5.295 -11.465 -7.878 1.00 0.00 O ATOM 943 OE2 GLU A 64 -6.170 -11.416 -5.871 1.00 0.00 O ATOM 0 H GLU A 64 -5.189 -9.901 -9.999 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.191 -9.282 -8.101 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.333 -8.730 -8.534 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.172 -7.507 -7.601 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.016 -9.436 -6.325 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.626 -8.963 -5.821 1.00 0.00 H new ATOM 950 N VAL A 65 -6.340 -6.585 -9.877 1.00 0.00 N ATOM 951 CA VAL A 65 -6.833 -5.328 -10.501 1.00 0.00 C ATOM 952 C VAL A 65 -7.572 -5.718 -11.810 1.00 0.00 C ATOM 953 O VAL A 65 -8.109 -6.828 -11.923 1.00 0.00 O ATOM 954 CB VAL A 65 -5.678 -4.285 -10.711 1.00 0.00 C ATOM 955 CG1 VAL A 65 -4.866 -3.968 -9.430 1.00 0.00 C ATOM 956 CG2 VAL A 65 -4.682 -4.706 -11.818 1.00 0.00 C ATOM 0 H VAL A 65 -5.334 -6.722 -9.973 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.533 -4.816 -9.841 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.211 -3.383 -11.013 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.089 -3.240 -9.663 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.531 -3.559 -8.670 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.406 -4.882 -9.055 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.906 -3.947 -11.918 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.225 -5.659 -11.553 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.212 -4.809 -12.765 1.00 0.00 H new ATOM 966 N ASP A 66 -7.594 -4.796 -12.791 1.00 0.00 N ATOM 967 CA ASP A 66 -8.262 -5.023 -14.101 1.00 0.00 C ATOM 968 C ASP A 66 -9.800 -4.989 -13.884 1.00 0.00 C ATOM 969 O ASP A 66 -10.502 -5.982 -14.107 1.00 0.00 O ATOM 970 CB ASP A 66 -7.774 -6.338 -14.774 1.00 0.00 C ATOM 971 CG ASP A 66 -7.225 -6.202 -16.205 1.00 0.00 C ATOM 972 OD1 ASP A 66 -6.840 -5.080 -16.602 1.00 0.00 O ATOM 973 OD2 ASP A 66 -7.172 -7.219 -16.932 1.00 0.00 O ATOM 0 H ASP A 66 -7.156 -3.879 -12.707 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.993 -4.228 -14.797 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.996 -6.776 -14.148 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.605 -7.044 -14.791 1.00 0.00 H new ATOM 978 N GLU A 67 -10.303 -3.827 -13.419 1.00 0.00 N ATOM 979 CA GLU A 67 -11.757 -3.583 -13.229 1.00 0.00 C ATOM 980 C GLU A 67 -12.407 -3.352 -14.620 1.00 0.00 C ATOM 981 O GLU A 67 -13.578 -3.687 -14.832 1.00 0.00 O ATOM 982 CB GLU A 67 -11.984 -2.407 -12.234 1.00 0.00 C ATOM 983 CG GLU A 67 -10.828 -1.390 -12.091 1.00 0.00 C ATOM 984 CD GLU A 67 -9.837 -1.719 -10.970 1.00 0.00 C ATOM 985 OE1 GLU A 67 -10.250 -2.325 -9.957 1.00 0.00 O ATOM 986 OE2 GLU A 67 -8.642 -1.373 -11.098 1.00 0.00 O ATOM 0 H GLU A 67 -9.719 -3.031 -13.164 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.241 -4.449 -12.779 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.878 -1.866 -12.544 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.191 -2.828 -11.250 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.286 -1.337 -13.035 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.249 -0.401 -11.910 1.00 0.00 H new ATOM 993 N ASP A 68 -11.640 -2.752 -15.552 1.00 0.00 N ATOM 994 CA ASP A 68 -12.131 -2.421 -16.918 1.00 0.00 C ATOM 995 C ASP A 68 -12.053 -3.697 -17.799 1.00 0.00 C ATOM 996 O ASP A 68 -12.874 -3.899 -18.702 1.00 0.00 O ATOM 997 CB ASP A 68 -11.359 -1.218 -17.540 1.00 0.00 C ATOM 998 CG ASP A 68 -9.833 -1.226 -17.351 1.00 0.00 C ATOM 999 OD1 ASP A 68 -9.239 -2.324 -17.262 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -9.226 -0.134 -17.286 1.00 0.00 O ATOM 0 H ASP A 68 -10.670 -2.482 -15.388 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.170 -2.097 -16.860 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.573 -1.188 -18.608 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.754 -0.297 -17.110 1.00 0.00 H new ATOM 1005 N GLY A 69 -11.071 -4.573 -17.505 1.00 0.00 N ATOM 1006 CA GLY A 69 -10.894 -5.853 -18.236 1.00 0.00 C ATOM 1007 C GLY A 69 -10.177 -5.605 -19.588 1.00 0.00 C ATOM 1008 O GLY A 69 -10.543 -6.191 -20.615 1.00 0.00 O ATOM 0 H GLY A 69 -10.385 -4.421 -16.766 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.313 -6.548 -17.630 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.865 -6.317 -18.411 1.00 0.00 H new ATOM 1012 N SER A 70 -9.154 -4.729 -19.566 1.00 0.00 N ATOM 1013 CA SER A 70 -8.346 -4.385 -20.765 1.00 0.00 C ATOM 1014 C SER A 70 -7.263 -5.472 -21.000 1.00 0.00 C ATOM 1015 O SER A 70 -6.861 -5.740 -22.139 1.00 0.00 O ATOM 1016 CB SER A 70 -7.736 -2.976 -20.587 1.00 0.00 C ATOM 1017 OG SER A 70 -6.877 -2.920 -19.452 1.00 0.00 O ATOM 0 H SER A 70 -8.860 -4.238 -18.722 1.00 0.00 H new ATOM 0 HA SER A 70 -8.978 -4.362 -21.653 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.176 -2.705 -21.482 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.535 -2.243 -20.476 1.00 0.00 H new ATOM 0 HG SER A 70 -7.410 -2.756 -18.646 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.774 -6.078 -19.898 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.714 -7.116 -19.958 1.00 0.00 C ATOM 1025 C GLY A 71 -4.311 -6.456 -19.975 1.00 0.00 C ATOM 1026 O GLY A 71 -3.367 -6.994 -20.570 1.00 0.00 O ATOM 0 H GLY A 71 -7.095 -5.868 -18.953 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.799 -7.782 -19.099 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.846 -7.728 -20.850 1.00 0.00 H new ATOM 1030 N THR A 72 -4.194 -5.289 -19.314 1.00 0.00 N ATOM 1031 CA THR A 72 -2.940 -4.491 -19.273 1.00 0.00 C ATOM 1032 C THR A 72 -3.012 -3.510 -18.072 1.00 0.00 C ATOM 1033 O THR A 72 -4.016 -3.465 -17.347 1.00 0.00 O ATOM 1034 CB THR A 72 -2.660 -3.767 -20.628 1.00 0.00 C ATOM 1035 OG1 THR A 72 -3.750 -2.919 -20.979 1.00 0.00 O ATOM 1036 CG2 THR A 72 -2.376 -4.696 -21.823 1.00 0.00 C ATOM 0 H THR A 72 -4.962 -4.867 -18.792 1.00 0.00 H new ATOM 0 HA THR A 72 -2.091 -5.159 -19.128 1.00 0.00 H new ATOM 0 HB THR A 72 -1.747 -3.200 -20.442 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.556 -2.472 -21.830 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.195 -4.096 -22.715 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.497 -5.305 -21.610 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.235 -5.346 -21.991 1.00 0.00 H new ATOM 1044 N ILE A 73 -1.948 -2.708 -17.881 1.00 0.00 N ATOM 1045 CA ILE A 73 -1.845 -1.708 -16.783 1.00 0.00 C ATOM 1046 C ILE A 73 -1.453 -0.365 -17.460 1.00 0.00 C ATOM 1047 O ILE A 73 -0.302 0.078 -17.360 1.00 0.00 O ATOM 1048 CB ILE A 73 -0.868 -2.185 -15.643 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.469 -3.333 -14.771 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -0.400 -1.016 -14.733 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -2.048 -4.531 -15.541 1.00 0.00 C ATOM 0 H ILE A 73 -1.126 -2.730 -18.484 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.789 -1.578 -16.254 1.00 0.00 H new ATOM 0 HB ILE A 73 0.004 -2.582 -16.164 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.691 -3.699 -14.101 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.257 -2.913 -14.146 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.271 -1.399 -13.964 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.124 -0.274 -15.335 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.266 -0.554 -14.260 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.436 -5.264 -14.834 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.854 -4.191 -16.191 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.264 -4.988 -16.145 1.00 0.00 H new ATOM 1063 N ASP A 74 -2.427 0.279 -18.131 1.00 0.00 N ATOM 1064 CA ASP A 74 -2.210 1.571 -18.834 1.00 0.00 C ATOM 1065 C ASP A 74 -1.907 2.671 -17.780 1.00 0.00 C ATOM 1066 O ASP A 74 -2.278 2.538 -16.606 1.00 0.00 O ATOM 1067 CB ASP A 74 -3.415 1.935 -19.749 1.00 0.00 C ATOM 1068 CG ASP A 74 -4.162 0.751 -20.387 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -5.038 0.158 -19.719 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -3.874 0.411 -21.556 1.00 0.00 O ATOM 0 H ASP A 74 -3.381 -0.073 -18.205 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.352 1.485 -19.501 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -4.128 2.515 -19.163 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.056 2.584 -20.547 1.00 0.00 H new ATOM 1075 N PHE A 75 -1.252 3.762 -18.218 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.928 4.920 -17.341 1.00 0.00 C ATOM 1077 C PHE A 75 -2.203 5.342 -16.562 1.00 0.00 C ATOM 1078 O PHE A 75 -2.110 5.917 -15.469 1.00 0.00 O ATOM 1079 CB PHE A 75 -0.344 6.094 -18.181 1.00 0.00 C ATOM 1080 CG PHE A 75 0.430 7.157 -17.376 1.00 0.00 C ATOM 1081 CD1 PHE A 75 1.763 6.937 -17.007 1.00 0.00 C ATOM 1082 CD2 PHE A 75 -0.196 8.352 -16.999 1.00 0.00 C ATOM 1083 CE1 PHE A 75 2.447 7.882 -16.247 1.00 0.00 C ATOM 1084 CE2 PHE A 75 0.491 9.295 -16.238 1.00 0.00 C ATOM 1085 CZ PHE A 75 1.808 9.054 -15.853 1.00 0.00 C ATOM 0 H PHE A 75 -0.932 3.873 -19.180 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.163 4.635 -16.619 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.321 5.681 -18.940 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.162 6.585 -18.707 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.263 6.030 -17.313 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.216 8.543 -17.300 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.474 7.706 -15.963 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.003 10.213 -15.946 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.334 9.778 -15.248 1.00 0.00 H new ATOM 1095 N GLU A 76 -3.385 5.085 -17.148 1.00 0.00 N ATOM 1096 CA GLU A 76 -4.698 5.498 -16.586 1.00 0.00 C ATOM 1097 C GLU A 76 -5.257 4.371 -15.677 1.00 0.00 C ATOM 1098 O GLU A 76 -6.463 4.088 -15.695 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.675 5.880 -17.740 1.00 0.00 C ATOM 1100 CG GLU A 76 -5.221 6.970 -18.741 1.00 0.00 C ATOM 1101 CD GLU A 76 -5.560 8.402 -18.316 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -6.751 8.782 -18.366 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -4.637 9.154 -17.932 1.00 0.00 O ATOM 0 H GLU A 76 -3.465 4.582 -18.032 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.577 6.385 -15.964 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.893 4.975 -18.307 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.612 6.208 -17.290 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.143 6.891 -18.880 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.683 6.772 -19.708 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.373 3.760 -14.867 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.728 2.632 -13.965 1.00 0.00 C ATOM 1112 C GLU A 77 -3.625 2.470 -12.884 1.00 0.00 C ATOM 1113 O GLU A 77 -3.925 2.218 -11.711 1.00 0.00 O ATOM 1114 CB GLU A 77 -4.954 1.310 -14.756 1.00 0.00 C ATOM 1115 CG GLU A 77 -5.326 0.063 -13.919 1.00 0.00 C ATOM 1116 CD GLU A 77 -6.127 -0.974 -14.709 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -6.857 -0.587 -15.649 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -6.036 -2.181 -14.392 1.00 0.00 O ATOM 0 H GLU A 77 -3.391 4.029 -14.814 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.673 2.861 -13.473 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.745 1.480 -15.486 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.046 1.087 -15.316 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.414 -0.401 -13.544 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.905 0.376 -13.050 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.352 2.613 -13.297 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.181 2.485 -12.388 1.00 0.00 C ATOM 1127 C PHE A 78 -1.293 3.564 -11.276 1.00 0.00 C ATOM 1128 O PHE A 78 -0.917 3.324 -10.123 1.00 0.00 O ATOM 1129 CB PHE A 78 0.151 2.593 -13.192 1.00 0.00 C ATOM 1130 CG PHE A 78 1.436 2.404 -12.360 1.00 0.00 C ATOM 1131 CD1 PHE A 78 2.051 3.498 -11.741 1.00 0.00 C ATOM 1132 CD2 PHE A 78 2.027 1.139 -12.258 1.00 0.00 C ATOM 1133 CE1 PHE A 78 3.224 3.324 -11.009 1.00 0.00 C ATOM 1134 CE2 PHE A 78 3.202 0.968 -11.531 1.00 0.00 C ATOM 1135 CZ PHE A 78 3.799 2.059 -10.905 1.00 0.00 C ATOM 0 H PHE A 78 -2.099 2.819 -14.263 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.175 1.504 -11.914 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.139 1.847 -13.987 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.189 3.571 -13.673 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.615 4.482 -11.831 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.569 0.291 -12.746 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.687 4.170 -10.522 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.651 -0.011 -11.453 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.709 1.925 -10.338 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.812 4.749 -11.645 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.888 5.923 -10.736 1.00 0.00 C ATOM 1147 C LEU A 79 -2.942 5.624 -9.635 1.00 0.00 C ATOM 1148 O LEU A 79 -2.720 5.921 -8.455 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.237 7.219 -11.531 1.00 0.00 C ATOM 1150 CG LEU A 79 -1.052 8.071 -12.071 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -0.691 7.727 -13.530 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -1.347 9.580 -11.946 1.00 0.00 C ATOM 0 H LEU A 79 -2.191 4.926 -12.575 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.919 6.095 -10.267 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.862 6.936 -12.378 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.843 7.856 -10.887 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.191 7.822 -11.450 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.142 8.351 -13.856 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.406 6.677 -13.596 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.553 7.910 -14.171 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.501 10.149 -12.331 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.241 9.825 -12.520 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.508 9.834 -10.898 1.00 0.00 H new ATOM 1164 N VAL A 80 -4.071 5.010 -10.033 1.00 0.00 N ATOM 1165 CA VAL A 80 -5.186 4.663 -9.111 1.00 0.00 C ATOM 1166 C VAL A 80 -4.661 3.609 -8.098 1.00 0.00 C ATOM 1167 O VAL A 80 -5.091 3.584 -6.937 1.00 0.00 O ATOM 1168 CB VAL A 80 -6.467 4.202 -9.894 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -7.363 3.206 -9.116 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -7.351 5.388 -10.351 1.00 0.00 C ATOM 0 H VAL A 80 -4.243 4.737 -11.001 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.510 5.543 -8.556 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.056 3.689 -10.763 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.225 2.938 -9.727 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.791 2.308 -8.882 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.704 3.670 -8.190 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.221 5.008 -10.887 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.680 5.954 -9.479 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.775 6.038 -11.009 1.00 0.00 H new ATOM 1180 N MET A 81 -3.757 2.726 -8.560 1.00 0.00 N ATOM 1181 CA MET A 81 -3.165 1.645 -7.726 1.00 0.00 C ATOM 1182 C MET A 81 -2.539 2.290 -6.459 1.00 0.00 C ATOM 1183 O MET A 81 -2.930 1.972 -5.329 1.00 0.00 O ATOM 1184 CB MET A 81 -2.128 0.810 -8.530 1.00 0.00 C ATOM 1185 CG MET A 81 -1.824 -0.595 -7.977 1.00 0.00 C ATOM 1186 SD MET A 81 -1.232 -1.668 -9.305 1.00 0.00 S ATOM 1187 CE MET A 81 0.556 -1.553 -9.082 1.00 0.00 C ATOM 0 H MET A 81 -3.412 2.735 -9.520 1.00 0.00 H new ATOM 0 HA MET A 81 -3.943 0.945 -7.423 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.488 0.707 -9.554 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.195 1.371 -8.576 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.074 -0.530 -7.189 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.722 -1.020 -7.528 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.056 -2.165 -9.832 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.870 -0.515 -9.192 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.822 -1.909 -8.087 1.00 0.00 H new ATOM 1197 N MET A 82 -1.541 3.168 -6.667 1.00 0.00 N ATOM 1198 CA MET A 82 -0.754 3.783 -5.567 1.00 0.00 C ATOM 1199 C MET A 82 -1.639 4.763 -4.749 1.00 0.00 C ATOM 1200 O MET A 82 -1.347 5.029 -3.574 1.00 0.00 O ATOM 1201 CB MET A 82 0.504 4.484 -6.159 1.00 0.00 C ATOM 1202 CG MET A 82 1.583 3.539 -6.723 1.00 0.00 C ATOM 1203 SD MET A 82 2.318 2.531 -5.414 1.00 0.00 S ATOM 1204 CE MET A 82 3.389 3.722 -4.584 1.00 0.00 C ATOM 0 H MET A 82 -1.253 3.474 -7.596 1.00 0.00 H new ATOM 0 HA MET A 82 -0.416 3.009 -4.878 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.184 5.158 -6.954 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.955 5.100 -5.382 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.143 2.891 -7.481 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.360 4.123 -7.216 1.00 0.00 H new ATOM 0 HE1 MET A 82 4.020 3.203 -3.863 1.00 0.00 H new ATOM 0 HE2 MET A 82 4.017 4.223 -5.321 1.00 0.00 H new ATOM 0 HE3 MET A 82 2.778 4.461 -4.066 1.00 0.00 H new ATOM 1214 N VAL A 83 -2.691 5.315 -5.380 1.00 0.00 N ATOM 1215 CA VAL A 83 -3.562 6.354 -4.766 1.00 0.00 C ATOM 1216 C VAL A 83 -4.374 5.675 -3.630 1.00 0.00 C ATOM 1217 O VAL A 83 -4.607 6.279 -2.575 1.00 0.00 O ATOM 1218 CB VAL A 83 -4.454 7.079 -5.835 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -5.889 6.503 -5.911 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -4.562 8.612 -5.638 1.00 0.00 C ATOM 0 H VAL A 83 -2.967 5.059 -6.328 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.960 7.155 -4.336 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.927 6.888 -6.770 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.459 7.044 -6.667 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.844 5.447 -6.177 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.377 6.612 -4.942 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.195 9.035 -6.418 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.998 8.824 -4.662 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.569 9.057 -5.696 1.00 0.00 H new ATOM 1230 N ARG A 84 -4.820 4.429 -3.873 1.00 0.00 N ATOM 1231 CA ARG A 84 -5.705 3.679 -2.942 1.00 0.00 C ATOM 1232 C ARG A 84 -4.959 3.522 -1.589 1.00 0.00 C ATOM 1233 O ARG A 84 -5.440 3.982 -0.545 1.00 0.00 O ATOM 1234 CB ARG A 84 -6.088 2.297 -3.543 1.00 0.00 C ATOM 1235 CG ARG A 84 -7.502 2.225 -4.167 1.00 0.00 C ATOM 1236 CD ARG A 84 -7.579 1.250 -5.358 1.00 0.00 C ATOM 1237 NE ARG A 84 -8.660 0.248 -5.181 1.00 0.00 N ATOM 1238 CZ ARG A 84 -8.458 -1.066 -4.960 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -7.389 -1.493 -4.303 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -9.328 -1.973 -5.384 1.00 0.00 N ATOM 0 H ARG A 84 -4.582 3.908 -4.717 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.636 4.224 -2.784 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.356 2.034 -4.307 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.014 1.544 -2.759 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.216 1.916 -3.404 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.800 3.220 -4.498 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.750 1.811 -6.277 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.623 0.738 -5.471 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.624 0.577 -5.230 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -6.703 -0.823 -3.955 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -7.253 -2.491 -4.145 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.166 -1.680 -5.886 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -9.159 -2.963 -5.208 1.00 0.00 H new ATOM 1254 N GLN A 85 -3.797 2.843 -1.620 1.00 0.00 N ATOM 1255 CA GLN A 85 -2.958 2.614 -0.413 1.00 0.00 C ATOM 1256 C GLN A 85 -2.598 3.991 0.207 1.00 0.00 C ATOM 1257 O GLN A 85 -2.465 4.118 1.430 1.00 0.00 O ATOM 1258 CB GLN A 85 -1.698 1.781 -0.786 1.00 0.00 C ATOM 1259 CG GLN A 85 -1.874 0.243 -0.803 1.00 0.00 C ATOM 1260 CD GLN A 85 -0.691 -0.540 -0.207 1.00 0.00 C ATOM 1261 OE1 GLN A 85 -0.135 -1.438 -0.840 1.00 0.00 O ATOM 1262 NE2 GLN A 85 -0.279 -0.222 1.011 1.00 0.00 N ATOM 0 H GLN A 85 -3.409 2.438 -2.472 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.504 2.036 0.332 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -1.358 2.098 -1.772 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -0.904 2.027 -0.081 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -2.778 -0.013 -0.251 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -2.027 -0.081 -1.832 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -0.745 0.523 1.529 1.00 0.00 H new ATOM 0 HE22 GLN A 85 0.504 -0.722 1.431 1.00 0.00 H new ATOM 1271 N MET A 86 -2.419 5.007 -0.658 1.00 0.00 N ATOM 1272 CA MET A 86 -1.974 6.364 -0.246 1.00 0.00 C ATOM 1273 C MET A 86 -2.890 6.837 0.916 1.00 0.00 C ATOM 1274 O MET A 86 -2.408 7.373 1.921 1.00 0.00 O ATOM 1275 CB MET A 86 -1.984 7.353 -1.446 1.00 0.00 C ATOM 1276 CG MET A 86 -0.626 7.981 -1.811 1.00 0.00 C ATOM 1277 SD MET A 86 -0.804 9.766 -2.020 1.00 0.00 S ATOM 1278 CE MET A 86 -2.247 9.853 -3.102 1.00 0.00 C ATOM 0 H MET A 86 -2.577 4.917 -1.662 1.00 0.00 H new ATOM 0 HA MET A 86 -0.941 6.332 0.101 1.00 0.00 H new ATOM 0 HB2 MET A 86 -2.367 6.828 -2.321 1.00 0.00 H new ATOM 0 HB3 MET A 86 -2.686 8.157 -1.224 1.00 0.00 H new ATOM 0 HG2 MET A 86 0.103 7.770 -1.029 1.00 0.00 H new ATOM 0 HG3 MET A 86 -0.246 7.535 -2.730 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.975 10.353 -4.032 1.00 0.00 H new ATOM 0 HE2 MET A 86 -2.598 8.845 -3.322 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.040 10.414 -2.607 1.00 0.00 H new ATOM 1288 N LYS A 87 -4.212 6.655 0.743 1.00 0.00 N ATOM 1289 CA LYS A 87 -5.224 6.998 1.777 1.00 0.00 C ATOM 1290 C LYS A 87 -5.035 6.039 2.984 1.00 0.00 C ATOM 1291 O LYS A 87 -5.663 4.975 3.050 1.00 0.00 O ATOM 1292 CB LYS A 87 -6.676 6.882 1.232 1.00 0.00 C ATOM 1293 CG LYS A 87 -7.177 8.093 0.411 1.00 0.00 C ATOM 1294 CD LYS A 87 -7.572 9.330 1.244 1.00 0.00 C ATOM 1295 CE LYS A 87 -8.487 10.336 0.518 1.00 0.00 C ATOM 1296 NZ LYS A 87 -9.038 11.334 1.451 1.00 0.00 N ATOM 0 H LYS A 87 -4.614 6.268 -0.111 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.076 8.035 2.079 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.741 5.990 0.609 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.351 6.732 2.075 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.397 8.382 -0.293 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.039 7.781 -0.179 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.074 8.994 2.151 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.664 9.846 1.555 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.924 10.841 -0.266 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.303 9.802 0.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.649 11.996 0.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.595 10.852 2.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.259 11.860 1.897 1.00 0.00 H new