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 Single : A 6 GLN : amide:sc= -4.6! C(o=-4.6!,f=-3.1!) USER MOD Single : A 7 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.47) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0504 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 155:sc= -0.656 (180deg=-1.93!) USER MOD Single : A 38 SER OG : rot 180:sc= -3.41! USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0534 USER MOD Single : A 40 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0086) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 152:sc= -0.054 (180deg=-1.02) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -85:sc= 0.279 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 143:sc= -2.45! (180deg=-7.27!) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 MET CE :methyl -116:sc= -6.25! (180deg=-11.8!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N ASP A 5 -14.758 5.940 -10.708 1.00 0.00 N ATOM 56 CA ASP A 5 -14.182 7.084 -9.955 1.00 0.00 C ATOM 57 C ASP A 5 -12.928 6.609 -9.168 1.00 0.00 C ATOM 58 O ASP A 5 -12.780 6.909 -7.972 1.00 0.00 O ATOM 59 CB ASP A 5 -15.244 7.741 -9.023 1.00 0.00 C ATOM 60 CG ASP A 5 -15.632 6.937 -7.770 1.00 0.00 C ATOM 61 OD1 ASP A 5 -15.374 5.714 -7.733 1.00 0.00 O ATOM 62 OD2 ASP A 5 -16.199 7.527 -6.823 1.00 0.00 O ATOM 0 HA ASP A 5 -13.872 7.855 -10.660 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -14.867 8.713 -8.704 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -16.146 7.925 -9.606 1.00 0.00 H new ATOM 67 N GLN A 6 -12.016 5.894 -9.852 1.00 0.00 N ATOM 68 CA GLN A 6 -10.715 5.459 -9.279 1.00 0.00 C ATOM 69 C GLN A 6 -9.685 6.603 -9.488 1.00 0.00 C ATOM 70 O GLN A 6 -9.339 7.323 -8.545 1.00 0.00 O ATOM 71 CB GLN A 6 -10.260 4.121 -9.928 1.00 0.00 C ATOM 72 CG GLN A 6 -10.740 2.824 -9.232 1.00 0.00 C ATOM 73 CD GLN A 6 -9.734 1.661 -9.289 1.00 0.00 C ATOM 74 OE1 GLN A 6 -9.751 0.760 -8.451 1.00 0.00 O ATOM 75 NE2 GLN A 6 -8.840 1.655 -10.267 1.00 0.00 N ATOM 0 H GLN A 6 -12.154 5.598 -10.818 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.807 5.267 -8.210 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -10.610 4.105 -10.960 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -9.171 4.109 -9.960 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -10.960 3.047 -8.188 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.674 2.503 -9.693 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -8.834 2.406 -10.957 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.158 0.899 -10.330 1.00 0.00 H new ATOM 84 N GLN A 7 -9.185 6.732 -10.731 1.00 0.00 N ATOM 85 CA GLN A 7 -8.145 7.730 -11.098 1.00 0.00 C ATOM 86 C GLN A 7 -8.670 9.154 -10.769 1.00 0.00 C ATOM 87 O GLN A 7 -7.878 10.070 -10.513 1.00 0.00 O ATOM 88 CB GLN A 7 -7.780 7.640 -12.608 1.00 0.00 C ATOM 89 CG GLN A 7 -7.923 6.245 -13.259 1.00 0.00 C ATOM 90 CD GLN A 7 -9.085 6.180 -14.264 1.00 0.00 C ATOM 91 OE1 GLN A 7 -9.318 7.113 -15.033 1.00 0.00 O ATOM 92 NE2 GLN A 7 -9.839 5.091 -14.280 1.00 0.00 N ATOM 0 H GLN A 7 -9.486 6.151 -11.514 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.243 7.519 -10.523 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.410 8.341 -13.156 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -6.750 7.973 -12.733 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -6.993 5.988 -13.766 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.078 5.498 -12.480 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -9.639 4.323 -13.640 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.620 5.021 -14.933 1.00 0.00 H new ATOM 101 N ALA A 8 -10.004 9.332 -10.789 1.00 0.00 N ATOM 102 CA ALA A 8 -10.654 10.638 -10.500 1.00 0.00 C ATOM 103 C ALA A 8 -10.189 11.180 -9.120 1.00 0.00 C ATOM 104 O ALA A 8 -9.591 12.260 -9.031 1.00 0.00 O ATOM 105 CB ALA A 8 -12.185 10.461 -10.558 1.00 0.00 C ATOM 0 H ALA A 8 -10.664 8.584 -11.004 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.361 11.374 -11.249 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.670 11.414 -10.347 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.474 10.119 -11.552 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.495 9.725 -9.816 1.00 0.00 H new ATOM 111 N GLU A 9 -10.501 10.428 -8.048 1.00 0.00 N ATOM 112 CA GLU A 9 -10.226 10.843 -6.646 1.00 0.00 C ATOM 113 C GLU A 9 -8.692 10.876 -6.402 1.00 0.00 C ATOM 114 O GLU A 9 -8.170 11.826 -5.802 1.00 0.00 O ATOM 115 CB GLU A 9 -10.949 9.921 -5.621 1.00 0.00 C ATOM 116 CG GLU A 9 -10.753 8.397 -5.795 1.00 0.00 C ATOM 117 CD GLU A 9 -10.453 7.676 -4.478 1.00 0.00 C ATOM 118 OE1 GLU A 9 -10.070 8.346 -3.494 1.00 0.00 O ATOM 119 OE2 GLU A 9 -10.605 6.436 -4.419 1.00 0.00 O ATOM 0 H GLU A 9 -10.951 9.515 -8.122 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.625 11.846 -6.496 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.612 10.195 -4.621 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.017 10.134 -5.667 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.652 7.970 -6.240 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.936 8.219 -6.494 1.00 0.00 H new ATOM 126 N ALA A 10 -7.987 9.819 -6.846 1.00 0.00 N ATOM 127 CA ALA A 10 -6.532 9.648 -6.589 1.00 0.00 C ATOM 128 C ALA A 10 -5.734 10.849 -7.164 1.00 0.00 C ATOM 129 O ALA A 10 -4.696 11.238 -6.616 1.00 0.00 O ATOM 130 CB ALA A 10 -6.070 8.308 -7.198 1.00 0.00 C ATOM 0 H ALA A 10 -8.400 9.061 -7.390 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.344 9.625 -5.516 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.004 8.173 -7.015 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.623 7.489 -6.738 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.256 8.313 -8.272 1.00 0.00 H new ATOM 136 N ARG A 11 -6.234 11.420 -8.276 1.00 0.00 N ATOM 137 CA ARG A 11 -5.543 12.503 -9.024 1.00 0.00 C ATOM 138 C ARG A 11 -5.786 13.839 -8.270 1.00 0.00 C ATOM 139 O ARG A 11 -4.834 14.548 -7.921 1.00 0.00 O ATOM 140 CB ARG A 11 -6.060 12.573 -10.489 1.00 0.00 C ATOM 141 CG ARG A 11 -6.614 13.948 -10.929 1.00 0.00 C ATOM 142 CD ARG A 11 -6.867 14.029 -12.446 1.00 0.00 C ATOM 143 NE ARG A 11 -6.831 12.688 -13.084 1.00 0.00 N ATOM 144 CZ ARG A 11 -7.806 12.183 -13.866 1.00 0.00 C ATOM 145 NH1 ARG A 11 -8.544 12.971 -14.636 1.00 0.00 N ATOM 146 NH2 ARG A 11 -8.018 10.875 -13.935 1.00 0.00 N ATOM 0 H ARG A 11 -7.127 11.148 -8.686 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.472 12.305 -9.076 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.245 12.297 -11.158 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.844 11.826 -10.616 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.545 14.147 -10.398 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.910 14.728 -10.640 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.837 14.492 -12.628 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.115 14.671 -12.906 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.009 12.107 -12.918 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.378 13.977 -14.643 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.277 12.571 -15.221 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.439 10.235 -13.391 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.760 10.509 -14.532 1.00 0.00 H new ATOM 160 N ALA A 12 -7.071 14.162 -8.030 1.00 0.00 N ATOM 161 CA ALA A 12 -7.473 15.391 -7.294 1.00 0.00 C ATOM 162 C ALA A 12 -6.616 15.540 -6.007 1.00 0.00 C ATOM 163 O ALA A 12 -6.358 16.658 -5.546 1.00 0.00 O ATOM 164 CB ALA A 12 -8.980 15.325 -6.975 1.00 0.00 C ATOM 0 H ALA A 12 -7.858 13.589 -8.335 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.296 16.272 -7.911 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.277 16.224 -6.436 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.546 15.255 -7.904 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.184 14.449 -6.359 1.00 0.00 H new ATOM 170 N PHE A 13 -6.209 14.397 -5.424 1.00 0.00 N ATOM 171 CA PHE A 13 -5.411 14.366 -4.169 1.00 0.00 C ATOM 172 C PHE A 13 -4.002 14.963 -4.435 1.00 0.00 C ATOM 173 O PHE A 13 -3.622 15.976 -3.836 1.00 0.00 O ATOM 174 CB PHE A 13 -5.367 12.905 -3.632 1.00 0.00 C ATOM 175 CG PHE A 13 -4.634 12.724 -2.288 1.00 0.00 C ATOM 176 CD1 PHE A 13 -3.249 12.522 -2.258 1.00 0.00 C ATOM 177 CD2 PHE A 13 -5.350 12.742 -1.084 1.00 0.00 C ATOM 178 CE1 PHE A 13 -2.593 12.331 -1.044 1.00 0.00 C ATOM 179 CE2 PHE A 13 -4.691 12.552 0.128 1.00 0.00 C ATOM 180 CZ PHE A 13 -3.315 12.343 0.147 1.00 0.00 C ATOM 0 H PHE A 13 -6.418 13.472 -5.800 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.871 14.981 -3.396 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.390 12.544 -3.522 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.885 12.274 -4.379 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.687 12.514 -3.180 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.418 12.904 -1.096 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.525 12.174 -1.026 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.248 12.567 1.053 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.806 12.190 1.087 1.00 0.00 H new ATOM 190 N LEU A 14 -3.232 14.298 -5.317 1.00 0.00 N ATOM 191 CA LEU A 14 -1.848 14.712 -5.667 1.00 0.00 C ATOM 192 C LEU A 14 -1.869 15.286 -7.110 1.00 0.00 C ATOM 193 O LEU A 14 -2.140 14.561 -8.074 1.00 0.00 O ATOM 194 CB LEU A 14 -0.858 13.514 -5.534 1.00 0.00 C ATOM 195 CG LEU A 14 -1.455 12.079 -5.619 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.981 11.775 -7.036 1.00 0.00 C ATOM 197 CD2 LEU A 14 -0.446 10.993 -5.190 1.00 0.00 C ATOM 0 H LEU A 14 -3.545 13.461 -5.809 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.497 15.479 -4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.104 13.612 -6.315 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.342 13.608 -4.579 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.288 12.054 -4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.392 10.766 -7.063 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.761 12.491 -7.296 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.163 11.853 -7.752 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.913 10.011 -5.268 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.428 11.032 -5.840 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.140 11.168 -4.159 1.00 0.00 H new ATOM 209 N SER A 15 -1.550 16.587 -7.238 1.00 0.00 N ATOM 210 CA SER A 15 -1.577 17.308 -8.539 1.00 0.00 C ATOM 211 C SER A 15 -0.512 16.706 -9.496 1.00 0.00 C ATOM 212 O SER A 15 0.051 15.639 -9.223 1.00 0.00 O ATOM 213 CB SER A 15 -1.361 18.819 -8.294 1.00 0.00 C ATOM 214 OG SER A 15 -0.421 19.047 -7.249 1.00 0.00 O ATOM 0 H SER A 15 -1.267 17.172 -6.452 1.00 0.00 H new ATOM 0 HA SER A 15 -2.548 17.187 -9.019 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.009 19.291 -9.211 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.312 19.287 -8.039 1.00 0.00 H new ATOM 0 HG SER A 15 -0.304 20.011 -7.119 1.00 0.00 H new ATOM 220 N GLU A 16 -0.272 17.392 -10.629 1.00 0.00 N ATOM 221 CA GLU A 16 0.694 16.937 -11.665 1.00 0.00 C ATOM 222 C GLU A 16 2.127 16.983 -11.066 1.00 0.00 C ATOM 223 O GLU A 16 2.976 16.155 -11.419 1.00 0.00 O ATOM 224 CB GLU A 16 0.533 17.784 -12.960 1.00 0.00 C ATOM 225 CG GLU A 16 1.448 17.405 -14.149 1.00 0.00 C ATOM 226 CD GLU A 16 2.608 18.379 -14.383 1.00 0.00 C ATOM 227 OE1 GLU A 16 2.482 19.569 -14.018 1.00 0.00 O ATOM 228 OE2 GLU A 16 3.652 17.957 -14.928 1.00 0.00 O ATOM 0 H GLU A 16 -0.735 18.272 -10.858 1.00 0.00 H new ATOM 0 HA GLU A 16 0.495 15.906 -11.957 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.503 17.710 -13.290 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.714 18.829 -12.709 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.854 16.408 -13.977 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.844 17.352 -15.055 1.00 0.00 H new ATOM 235 N GLU A 17 2.377 17.978 -10.187 1.00 0.00 N ATOM 236 CA GLU A 17 3.733 18.211 -9.614 1.00 0.00 C ATOM 237 C GLU A 17 4.145 16.940 -8.821 1.00 0.00 C ATOM 238 O GLU A 17 5.228 16.384 -9.037 1.00 0.00 O ATOM 239 CB GLU A 17 3.778 19.512 -8.759 1.00 0.00 C ATOM 240 CG GLU A 17 5.153 20.210 -8.634 1.00 0.00 C ATOM 241 CD GLU A 17 5.070 21.720 -8.389 1.00 0.00 C ATOM 242 OE1 GLU A 17 4.133 22.169 -7.691 1.00 0.00 O ATOM 243 OE2 GLU A 17 5.938 22.464 -8.896 1.00 0.00 O ATOM 0 H GLU A 17 1.667 18.632 -9.857 1.00 0.00 H new ATOM 0 HA GLU A 17 4.459 18.375 -10.410 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.071 20.224 -9.185 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.424 19.273 -7.756 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.708 19.750 -7.816 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.723 20.032 -9.546 1.00 0.00 H new ATOM 250 N MET A 18 3.276 16.514 -7.885 1.00 0.00 N ATOM 251 CA MET A 18 3.526 15.331 -7.019 1.00 0.00 C ATOM 252 C MET A 18 3.614 14.078 -7.933 1.00 0.00 C ATOM 253 O MET A 18 4.381 13.148 -7.657 1.00 0.00 O ATOM 254 CB MET A 18 2.432 15.185 -5.925 1.00 0.00 C ATOM 255 CG MET A 18 2.330 16.345 -4.916 1.00 0.00 C ATOM 256 SD MET A 18 1.504 15.785 -3.410 1.00 0.00 S ATOM 257 CE MET A 18 1.709 17.223 -2.339 1.00 0.00 C ATOM 0 H MET A 18 2.383 16.973 -7.703 1.00 0.00 H new ATOM 0 HA MET A 18 4.466 15.452 -6.481 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.466 15.071 -6.417 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.619 14.264 -5.373 1.00 0.00 H new ATOM 0 HG2 MET A 18 3.326 16.718 -4.677 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.776 17.174 -5.357 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.248 17.025 -1.371 1.00 0.00 H new ATOM 0 HE2 MET A 18 2.771 17.425 -2.200 1.00 0.00 H new ATOM 0 HE3 MET A 18 1.232 18.089 -2.798 1.00 0.00 H new ATOM 267 N ILE A 19 2.796 14.057 -9.003 1.00 0.00 N ATOM 268 CA ILE A 19 2.672 12.889 -9.916 1.00 0.00 C ATOM 269 C ILE A 19 4.079 12.651 -10.528 1.00 0.00 C ATOM 270 O ILE A 19 4.454 11.504 -10.808 1.00 0.00 O ATOM 271 CB ILE A 19 1.518 13.086 -10.970 1.00 0.00 C ATOM 272 CG1 ILE A 19 0.155 12.492 -10.490 1.00 0.00 C ATOM 273 CG2 ILE A 19 1.883 12.516 -12.368 1.00 0.00 C ATOM 274 CD1 ILE A 19 -1.090 13.341 -10.790 1.00 0.00 C ATOM 0 H ILE A 19 2.201 14.844 -9.264 1.00 0.00 H new ATOM 0 HA ILE A 19 2.367 11.989 -9.382 1.00 0.00 H new ATOM 0 HB ILE A 19 1.400 14.165 -11.064 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.024 11.514 -10.953 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.210 12.331 -9.413 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.053 12.679 -13.055 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.772 13.021 -12.746 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.081 11.447 -12.285 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.977 12.832 -10.413 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.994 14.312 -10.304 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.183 13.482 -11.867 1.00 0.00 H new ATOM 286 N ALA A 20 4.837 13.738 -10.764 1.00 0.00 N ATOM 287 CA ALA A 20 6.156 13.679 -11.449 1.00 0.00 C ATOM 288 C ALA A 20 7.066 12.616 -10.776 1.00 0.00 C ATOM 289 O ALA A 20 7.851 11.938 -11.451 1.00 0.00 O ATOM 290 CB ALA A 20 6.797 15.081 -11.425 1.00 0.00 C ATOM 0 H ALA A 20 4.560 14.681 -10.490 1.00 0.00 H new ATOM 0 HA ALA A 20 6.025 13.377 -12.488 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.765 15.047 -11.925 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.146 15.787 -11.941 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.934 15.401 -10.392 1.00 0.00 H new ATOM 296 N GLU A 21 6.969 12.506 -9.438 1.00 0.00 N ATOM 297 CA GLU A 21 7.845 11.617 -8.631 1.00 0.00 C ATOM 298 C GLU A 21 7.622 10.153 -9.101 1.00 0.00 C ATOM 299 O GLU A 21 8.574 9.377 -9.237 1.00 0.00 O ATOM 300 CB GLU A 21 7.579 11.832 -7.113 1.00 0.00 C ATOM 301 CG GLU A 21 8.014 13.194 -6.522 1.00 0.00 C ATOM 302 CD GLU A 21 7.237 13.611 -5.269 1.00 0.00 C ATOM 303 OE1 GLU A 21 7.669 13.268 -4.146 1.00 0.00 O ATOM 304 OE2 GLU A 21 6.192 14.286 -5.401 1.00 0.00 O ATOM 0 H GLU A 21 6.288 13.024 -8.883 1.00 0.00 H new ATOM 0 HA GLU A 21 8.897 11.857 -8.782 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.511 11.707 -6.933 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.090 11.042 -6.562 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.076 13.150 -6.280 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.893 13.964 -7.284 1.00 0.00 H new ATOM 311 N PHE A 22 6.345 9.787 -9.316 1.00 0.00 N ATOM 312 CA PHE A 22 5.941 8.416 -9.725 1.00 0.00 C ATOM 313 C PHE A 22 6.254 8.214 -11.234 1.00 0.00 C ATOM 314 O PHE A 22 6.367 7.067 -11.690 1.00 0.00 O ATOM 315 CB PHE A 22 4.434 8.175 -9.405 1.00 0.00 C ATOM 316 CG PHE A 22 3.989 8.593 -7.988 1.00 0.00 C ATOM 317 CD1 PHE A 22 3.664 9.926 -7.712 1.00 0.00 C ATOM 318 CD2 PHE A 22 3.931 7.646 -6.958 1.00 0.00 C ATOM 319 CE1 PHE A 22 3.293 10.306 -6.424 1.00 0.00 C ATOM 320 CE2 PHE A 22 3.565 8.030 -5.670 1.00 0.00 C ATOM 321 CZ PHE A 22 3.236 9.357 -5.407 1.00 0.00 C ATOM 0 H PHE A 22 5.559 10.429 -9.213 1.00 0.00 H new ATOM 0 HA PHE A 22 6.511 7.679 -9.158 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.833 8.720 -10.133 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.215 7.116 -9.540 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.701 10.663 -8.501 1.00 0.00 H new ATOM 0 HD2 PHE A 22 4.171 6.613 -7.163 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.050 11.337 -6.214 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.536 7.299 -4.876 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.936 9.651 -4.412 1.00 0.00 H new ATOM 331 N LYS A 23 6.357 9.316 -11.999 1.00 0.00 N ATOM 332 CA LYS A 23 6.593 9.278 -13.468 1.00 0.00 C ATOM 333 C LYS A 23 7.931 8.533 -13.724 1.00 0.00 C ATOM 334 O LYS A 23 8.051 7.766 -14.688 1.00 0.00 O ATOM 335 CB LYS A 23 6.626 10.711 -14.077 1.00 0.00 C ATOM 336 CG LYS A 23 5.339 11.210 -14.776 1.00 0.00 C ATOM 337 CD LYS A 23 5.370 12.688 -15.218 1.00 0.00 C ATOM 338 CE LYS A 23 4.319 13.007 -16.296 1.00 0.00 C ATOM 339 NZ LYS A 23 3.835 14.395 -16.186 1.00 0.00 N ATOM 0 H LYS A 23 6.280 10.261 -11.624 1.00 0.00 H new ATOM 0 HA LYS A 23 5.773 8.751 -13.956 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.871 11.412 -13.279 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.441 10.753 -14.799 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.154 10.588 -15.652 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.497 11.066 -14.099 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.200 13.326 -14.351 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.362 12.928 -15.601 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.751 12.849 -17.284 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.479 12.319 -16.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.128 14.576 -16.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.401 14.538 -15.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.634 15.051 -16.301 1.00 0.00 H new ATOM 353 N ALA A 24 8.937 8.792 -12.868 1.00 0.00 N ATOM 354 CA ALA A 24 10.310 8.246 -13.041 1.00 0.00 C ATOM 355 C ALA A 24 10.294 6.701 -12.889 1.00 0.00 C ATOM 356 O ALA A 24 10.480 5.966 -13.866 1.00 0.00 O ATOM 357 CB ALA A 24 11.249 8.915 -12.018 1.00 0.00 C ATOM 0 H ALA A 24 8.830 9.380 -12.041 1.00 0.00 H new ATOM 0 HA ALA A 24 10.680 8.467 -14.042 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.258 8.520 -12.138 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.259 9.992 -12.183 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.895 8.706 -11.008 1.00 0.00 H new ATOM 363 N ALA A 25 10.102 6.227 -11.644 1.00 0.00 N ATOM 364 CA ALA A 25 10.111 4.777 -11.313 1.00 0.00 C ATOM 365 C ALA A 25 9.104 4.002 -12.207 1.00 0.00 C ATOM 366 O ALA A 25 9.289 2.806 -12.467 1.00 0.00 O ATOM 367 CB ALA A 25 9.794 4.605 -9.814 1.00 0.00 C ATOM 0 H ALA A 25 9.936 6.829 -10.838 1.00 0.00 H new ATOM 0 HA ALA A 25 11.097 4.359 -11.513 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.798 3.545 -9.561 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.548 5.123 -9.221 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.812 5.026 -9.599 1.00 0.00 H new ATOM 373 N PHE A 26 8.028 4.692 -12.643 1.00 0.00 N ATOM 374 CA PHE A 26 6.923 4.055 -13.411 1.00 0.00 C ATOM 375 C PHE A 26 7.546 3.348 -14.647 1.00 0.00 C ATOM 376 O PHE A 26 7.166 2.222 -14.991 1.00 0.00 O ATOM 377 CB PHE A 26 5.830 5.087 -13.821 1.00 0.00 C ATOM 378 CG PHE A 26 4.712 4.519 -14.728 1.00 0.00 C ATOM 379 CD1 PHE A 26 3.757 3.639 -14.207 1.00 0.00 C ATOM 380 CD2 PHE A 26 4.633 4.900 -16.073 1.00 0.00 C ATOM 381 CE1 PHE A 26 2.750 3.132 -15.025 1.00 0.00 C ATOM 382 CE2 PHE A 26 3.625 4.391 -16.888 1.00 0.00 C ATOM 383 CZ PHE A 26 2.680 3.515 -16.362 1.00 0.00 C ATOM 0 H PHE A 26 7.896 5.690 -12.479 1.00 0.00 H new ATOM 0 HA PHE A 26 6.414 3.322 -12.785 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.375 5.492 -12.917 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.310 5.919 -14.337 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.801 3.352 -13.167 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.356 5.591 -16.480 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.023 2.442 -14.622 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.577 4.676 -17.929 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.891 3.132 -16.992 1.00 0.00 H new ATOM 393 N ASP A 27 8.484 4.041 -15.320 1.00 0.00 N ATOM 394 CA ASP A 27 9.127 3.541 -16.563 1.00 0.00 C ATOM 395 C ASP A 27 9.974 2.285 -16.215 1.00 0.00 C ATOM 396 O ASP A 27 10.108 1.371 -17.037 1.00 0.00 O ATOM 397 CB ASP A 27 9.962 4.651 -17.265 1.00 0.00 C ATOM 398 CG ASP A 27 9.230 5.976 -17.539 1.00 0.00 C ATOM 399 OD1 ASP A 27 7.982 5.970 -17.634 1.00 0.00 O ATOM 400 OD2 ASP A 27 9.901 7.025 -17.665 1.00 0.00 O ATOM 0 H ASP A 27 8.820 4.958 -15.025 1.00 0.00 H new ATOM 0 HA ASP A 27 8.360 3.255 -17.283 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.837 4.863 -16.650 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.327 4.258 -18.214 1.00 0.00 H new ATOM 405 N MET A 28 10.561 2.275 -15.001 1.00 0.00 N ATOM 406 CA MET A 28 11.434 1.161 -14.536 1.00 0.00 C ATOM 407 C MET A 28 10.627 -0.159 -14.673 1.00 0.00 C ATOM 408 O MET A 28 11.137 -1.161 -15.188 1.00 0.00 O ATOM 409 CB MET A 28 11.945 1.387 -13.084 1.00 0.00 C ATOM 410 CG MET A 28 13.307 0.752 -12.746 1.00 0.00 C ATOM 411 SD MET A 28 14.636 1.670 -13.556 1.00 0.00 S ATOM 412 CE MET A 28 14.269 3.358 -13.033 1.00 0.00 C ATOM 0 H MET A 28 10.450 3.025 -14.318 1.00 0.00 H new ATOM 0 HA MET A 28 12.332 1.111 -15.152 1.00 0.00 H new ATOM 0 HB2 MET A 28 12.011 2.460 -12.905 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.200 0.994 -12.392 1.00 0.00 H new ATOM 0 HG2 MET A 28 13.459 0.752 -11.667 1.00 0.00 H new ATOM 0 HG3 MET A 28 13.323 -0.289 -13.070 1.00 0.00 H new ATOM 0 HE1 MET A 28 15.182 3.953 -13.057 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.533 3.796 -13.707 1.00 0.00 H new ATOM 0 HE3 MET A 28 13.870 3.346 -12.019 1.00 0.00 H new ATOM 422 N PHE A 29 9.374 -0.149 -14.178 1.00 0.00 N ATOM 423 CA PHE A 29 8.501 -1.352 -14.158 1.00 0.00 C ATOM 424 C PHE A 29 8.063 -1.666 -15.615 1.00 0.00 C ATOM 425 O PHE A 29 7.851 -2.831 -15.974 1.00 0.00 O ATOM 426 CB PHE A 29 7.282 -1.135 -13.214 1.00 0.00 C ATOM 427 CG PHE A 29 7.634 -0.830 -11.744 1.00 0.00 C ATOM 428 CD1 PHE A 29 8.972 -0.732 -11.345 1.00 0.00 C ATOM 429 CD2 PHE A 29 6.621 -0.661 -10.792 1.00 0.00 C ATOM 430 CE1 PHE A 29 9.290 -0.467 -10.015 1.00 0.00 C ATOM 431 CE2 PHE A 29 6.943 -0.394 -9.463 1.00 0.00 C ATOM 432 CZ PHE A 29 8.276 -0.299 -9.076 1.00 0.00 C ATOM 0 H PHE A 29 8.936 0.683 -13.783 1.00 0.00 H new ATOM 0 HA PHE A 29 9.048 -2.208 -13.763 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.682 -0.313 -13.605 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.657 -2.028 -13.243 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.761 -0.862 -12.071 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.586 -0.738 -11.089 1.00 0.00 H new ATOM 0 HE1 PHE A 29 10.324 -0.392 -9.712 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.158 -0.261 -8.733 1.00 0.00 H new ATOM 0 HZ PHE A 29 8.525 -0.095 -8.045 1.00 0.00 H new ATOM 442 N ASP A 30 7.903 -0.609 -16.432 1.00 0.00 N ATOM 443 CA ASP A 30 7.480 -0.734 -17.852 1.00 0.00 C ATOM 444 C ASP A 30 8.381 -1.791 -18.549 1.00 0.00 C ATOM 445 O ASP A 30 7.892 -2.828 -19.012 1.00 0.00 O ATOM 446 CB ASP A 30 7.499 0.641 -18.580 1.00 0.00 C ATOM 447 CG ASP A 30 6.811 0.688 -19.956 1.00 0.00 C ATOM 448 OD1 ASP A 30 5.985 -0.204 -20.251 1.00 0.00 O ATOM 449 OD2 ASP A 30 7.094 1.620 -20.741 1.00 0.00 O ATOM 0 H ASP A 30 8.061 0.354 -16.135 1.00 0.00 H new ATOM 0 HA ASP A 30 6.445 -1.074 -17.898 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.023 1.378 -17.933 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.537 0.949 -18.705 1.00 0.00 H new ATOM 454 N ALA A 31 9.690 -1.497 -18.644 1.00 0.00 N ATOM 455 CA ALA A 31 10.718 -2.373 -19.272 1.00 0.00 C ATOM 456 C ALA A 31 10.833 -2.070 -20.792 1.00 0.00 C ATOM 457 O ALA A 31 11.945 -1.977 -21.330 1.00 0.00 O ATOM 458 CB ALA A 31 10.385 -3.856 -19.008 1.00 0.00 C ATOM 0 H ALA A 31 10.080 -0.627 -18.281 1.00 0.00 H new ATOM 0 HA ALA A 31 11.689 -2.165 -18.822 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.143 -4.487 -19.472 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.368 -4.039 -17.934 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.409 -4.091 -19.432 1.00 0.00 H new ATOM 464 N ASP A 32 9.680 -1.890 -21.462 1.00 0.00 N ATOM 465 CA ASP A 32 9.613 -1.648 -22.928 1.00 0.00 C ATOM 466 C ASP A 32 9.697 -0.119 -23.185 1.00 0.00 C ATOM 467 O ASP A 32 10.736 0.393 -23.621 1.00 0.00 O ATOM 468 CB ASP A 32 8.344 -2.293 -23.558 1.00 0.00 C ATOM 469 CG ASP A 32 7.095 -2.343 -22.662 1.00 0.00 C ATOM 470 OD1 ASP A 32 7.060 -3.160 -21.716 1.00 0.00 O ATOM 471 OD2 ASP A 32 6.145 -1.565 -22.905 1.00 0.00 O ATOM 0 H ASP A 32 8.766 -1.907 -21.010 1.00 0.00 H new ATOM 0 HA ASP A 32 10.459 -2.130 -23.419 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.094 -1.743 -24.465 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.590 -3.311 -23.860 1.00 0.00 H new ATOM 476 N GLY A 33 8.582 0.594 -22.936 1.00 0.00 N ATOM 477 CA GLY A 33 8.479 2.053 -23.209 1.00 0.00 C ATOM 478 C GLY A 33 7.212 2.391 -24.038 1.00 0.00 C ATOM 479 O GLY A 33 7.257 3.205 -24.968 1.00 0.00 O ATOM 0 H GLY A 33 7.733 0.187 -22.544 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.454 2.599 -22.266 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.366 2.387 -23.747 1.00 0.00 H new ATOM 483 N GLY A 34 6.072 1.774 -23.667 1.00 0.00 N ATOM 484 CA GLY A 34 4.772 2.017 -24.342 1.00 0.00 C ATOM 485 C GLY A 34 3.996 3.149 -23.622 1.00 0.00 C ATOM 486 O GLY A 34 3.947 4.291 -24.094 1.00 0.00 O ATOM 0 H GLY A 34 6.021 1.101 -22.902 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.941 2.288 -25.384 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.178 1.103 -24.343 1.00 0.00 H new ATOM 490 N GLY A 35 3.363 2.804 -22.482 1.00 0.00 N ATOM 491 CA GLY A 35 2.586 3.773 -21.669 1.00 0.00 C ATOM 492 C GLY A 35 1.923 3.052 -20.467 1.00 0.00 C ATOM 493 O GLY A 35 1.725 3.650 -19.402 1.00 0.00 O ATOM 0 H GLY A 35 3.373 1.859 -22.099 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.242 4.566 -21.310 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.822 4.246 -22.286 1.00 0.00 H new ATOM 497 N ASP A 36 1.571 1.767 -20.665 1.00 0.00 N ATOM 498 CA ASP A 36 0.902 0.933 -19.632 1.00 0.00 C ATOM 499 C ASP A 36 1.829 -0.261 -19.279 1.00 0.00 C ATOM 500 O ASP A 36 2.851 -0.489 -19.940 1.00 0.00 O ATOM 501 CB ASP A 36 -0.514 0.477 -20.091 1.00 0.00 C ATOM 502 CG ASP A 36 -0.769 0.487 -21.608 1.00 0.00 C ATOM 503 OD1 ASP A 36 -1.065 1.566 -22.166 1.00 0.00 O ATOM 504 OD2 ASP A 36 -0.667 -0.585 -22.245 1.00 0.00 O ATOM 0 H ASP A 36 1.739 1.273 -21.541 1.00 0.00 H new ATOM 0 HA ASP A 36 0.739 1.525 -18.731 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.686 -0.534 -19.721 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.253 1.121 -19.614 1.00 0.00 H new ATOM 509 N ILE A 37 1.478 -1.001 -18.210 1.00 0.00 N ATOM 510 CA ILE A 37 2.272 -2.139 -17.674 1.00 0.00 C ATOM 511 C ILE A 37 1.473 -3.457 -17.878 1.00 0.00 C ATOM 512 O ILE A 37 0.479 -3.483 -18.616 1.00 0.00 O ATOM 513 CB ILE A 37 2.745 -1.941 -16.185 1.00 0.00 C ATOM 514 CG1 ILE A 37 2.671 -0.477 -15.649 1.00 0.00 C ATOM 515 CG2 ILE A 37 4.146 -2.564 -15.957 1.00 0.00 C ATOM 516 CD1 ILE A 37 3.635 -0.135 -14.501 1.00 0.00 C ATOM 0 H ILE A 37 0.623 -0.828 -17.682 1.00 0.00 H new ATOM 0 HA ILE A 37 3.202 -2.193 -18.239 1.00 0.00 H new ATOM 0 HB ILE A 37 2.012 -2.482 -15.586 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.867 0.204 -16.478 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.652 -0.284 -15.312 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.447 -2.412 -14.921 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.109 -3.632 -16.172 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.869 -2.086 -16.618 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.498 0.906 -14.208 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.429 -0.782 -13.648 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.663 -0.286 -14.832 1.00 0.00 H new ATOM 528 N SER A 38 1.904 -4.537 -17.200 1.00 0.00 N ATOM 529 CA SER A 38 1.226 -5.860 -17.270 1.00 0.00 C ATOM 530 C SER A 38 1.706 -6.759 -16.098 1.00 0.00 C ATOM 531 O SER A 38 2.381 -6.288 -15.176 1.00 0.00 O ATOM 532 CB SER A 38 1.490 -6.502 -18.651 1.00 0.00 C ATOM 533 OG SER A 38 2.545 -7.457 -18.588 1.00 0.00 O ATOM 0 H SER A 38 2.723 -4.526 -16.592 1.00 0.00 H new ATOM 0 HA SER A 38 0.148 -5.739 -17.164 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.581 -6.985 -19.009 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.743 -5.725 -19.372 1.00 0.00 H new ATOM 0 HG SER A 38 2.687 -7.847 -19.476 1.00 0.00 H new ATOM 539 N THR A 39 1.342 -8.054 -16.157 1.00 0.00 N ATOM 540 CA THR A 39 1.711 -9.058 -15.124 1.00 0.00 C ATOM 541 C THR A 39 3.130 -9.604 -15.443 1.00 0.00 C ATOM 542 O THR A 39 3.919 -9.883 -14.531 1.00 0.00 O ATOM 543 CB THR A 39 0.644 -10.191 -14.998 1.00 0.00 C ATOM 544 OG1 THR A 39 -0.255 -10.162 -16.105 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.193 -10.163 -13.706 1.00 0.00 C ATOM 0 H THR A 39 0.784 -8.440 -16.919 1.00 0.00 H new ATOM 0 HA THR A 39 1.733 -8.578 -14.146 1.00 0.00 H new ATOM 0 HB THR A 39 1.233 -11.108 -14.977 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.915 -10.880 -16.009 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.904 -10.989 -13.715 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.466 -10.261 -12.843 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.735 -9.219 -13.644 1.00 0.00 H new ATOM 553 N LYS A 40 3.441 -9.752 -16.745 1.00 0.00 N ATOM 554 CA LYS A 40 4.758 -10.265 -17.210 1.00 0.00 C ATOM 555 C LYS A 40 5.848 -9.212 -16.873 1.00 0.00 C ATOM 556 O LYS A 40 6.946 -9.560 -16.423 1.00 0.00 O ATOM 557 CB LYS A 40 4.667 -10.611 -18.725 1.00 0.00 C ATOM 558 CG LYS A 40 5.848 -11.416 -19.325 1.00 0.00 C ATOM 559 CD LYS A 40 5.964 -11.539 -20.864 1.00 0.00 C ATOM 560 CE LYS A 40 7.291 -12.099 -21.419 1.00 0.00 C ATOM 561 NZ LYS A 40 7.850 -13.205 -20.620 1.00 0.00 N ATOM 0 H LYS A 40 2.798 -9.524 -17.503 1.00 0.00 H new ATOM 0 HA LYS A 40 5.036 -11.187 -16.699 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.750 -11.177 -18.891 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.572 -9.679 -19.282 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.772 -10.968 -18.960 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.800 -12.425 -18.916 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.153 -12.176 -21.216 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.805 -10.551 -21.297 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.130 -12.446 -22.440 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.023 -11.293 -21.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.712 -13.564 -21.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.083 -12.861 -19.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.150 -13.971 -20.550 1.00 0.00 H new ATOM 575 N GLU A 41 5.524 -7.924 -17.098 1.00 0.00 N ATOM 576 CA GLU A 41 6.488 -6.804 -16.931 1.00 0.00 C ATOM 577 C GLU A 41 6.756 -6.590 -15.417 1.00 0.00 C ATOM 578 O GLU A 41 7.903 -6.387 -15.001 1.00 0.00 O ATOM 579 CB GLU A 41 5.985 -5.513 -17.641 1.00 0.00 C ATOM 580 CG GLU A 41 4.562 -5.531 -18.251 1.00 0.00 C ATOM 581 CD GLU A 41 4.442 -4.792 -19.588 1.00 0.00 C ATOM 582 OE1 GLU A 41 5.403 -4.828 -20.388 1.00 0.00 O ATOM 583 OE2 GLU A 41 3.387 -4.170 -19.842 1.00 0.00 O ATOM 0 H GLU A 41 4.596 -7.626 -17.398 1.00 0.00 H new ATOM 0 HA GLU A 41 7.433 -7.057 -17.412 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.030 -4.696 -16.921 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.688 -5.274 -18.439 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.252 -6.567 -18.392 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.868 -5.085 -17.539 1.00 0.00 H new ATOM 590 N LEU A 42 5.678 -6.609 -14.612 1.00 0.00 N ATOM 591 CA LEU A 42 5.747 -6.320 -13.155 1.00 0.00 C ATOM 592 C LEU A 42 6.734 -7.332 -12.512 1.00 0.00 C ATOM 593 O LEU A 42 7.565 -6.965 -11.673 1.00 0.00 O ATOM 594 CB LEU A 42 4.333 -6.397 -12.505 1.00 0.00 C ATOM 595 CG LEU A 42 4.262 -6.543 -10.957 1.00 0.00 C ATOM 596 CD1 LEU A 42 5.178 -5.538 -10.226 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.814 -6.398 -10.447 1.00 0.00 C ATOM 0 H LEU A 42 4.737 -6.823 -14.944 1.00 0.00 H new ATOM 0 HA LEU A 42 6.108 -5.305 -12.987 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.785 -5.497 -12.784 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.805 -7.242 -12.947 1.00 0.00 H new ATOM 0 HG LEU A 42 4.621 -7.547 -10.729 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.091 -5.683 -9.149 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.212 -5.700 -10.531 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.879 -4.521 -10.481 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.798 -6.505 -9.362 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.429 -5.416 -10.721 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.191 -7.171 -10.897 1.00 0.00 H new ATOM 609 N GLY A 43 6.606 -8.616 -12.899 1.00 0.00 N ATOM 610 CA GLY A 43 7.396 -9.723 -12.303 1.00 0.00 C ATOM 611 C GLY A 43 8.915 -9.469 -12.482 1.00 0.00 C ATOM 612 O GLY A 43 9.729 -9.912 -11.659 1.00 0.00 O ATOM 0 H GLY A 43 5.959 -8.919 -13.627 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.160 -9.815 -11.243 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.122 -10.667 -12.774 1.00 0.00 H new ATOM 616 N THR A 44 9.281 -8.780 -13.578 1.00 0.00 N ATOM 617 CA THR A 44 10.700 -8.546 -13.957 1.00 0.00 C ATOM 618 C THR A 44 11.373 -7.677 -12.859 1.00 0.00 C ATOM 619 O THR A 44 12.423 -8.046 -12.319 1.00 0.00 O ATOM 620 CB THR A 44 10.832 -7.926 -15.383 1.00 0.00 C ATOM 621 OG1 THR A 44 10.524 -8.894 -16.383 1.00 0.00 O ATOM 622 CG2 THR A 44 12.212 -7.326 -15.712 1.00 0.00 C ATOM 0 H THR A 44 8.611 -8.369 -14.228 1.00 0.00 H new ATOM 0 HA THR A 44 11.222 -9.501 -14.014 1.00 0.00 H new ATOM 0 HB THR A 44 10.118 -7.102 -15.381 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.610 -8.487 -17.270 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.201 -6.921 -16.724 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.440 -6.528 -15.005 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.973 -8.103 -15.640 1.00 0.00 H new ATOM 630 N VAL A 45 10.766 -6.511 -12.568 1.00 0.00 N ATOM 631 CA VAL A 45 11.329 -5.507 -11.625 1.00 0.00 C ATOM 632 C VAL A 45 11.589 -6.233 -10.276 1.00 0.00 C ATOM 633 O VAL A 45 12.648 -6.056 -9.660 1.00 0.00 O ATOM 634 CB VAL A 45 10.412 -4.240 -11.497 1.00 0.00 C ATOM 635 CG1 VAL A 45 9.943 -3.979 -10.044 1.00 0.00 C ATOM 636 CG2 VAL A 45 11.047 -2.933 -12.036 1.00 0.00 C ATOM 0 H VAL A 45 9.873 -6.232 -12.975 1.00 0.00 H new ATOM 0 HA VAL A 45 12.272 -5.110 -12.000 1.00 0.00 H new ATOM 0 HB VAL A 45 9.558 -4.493 -12.125 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.313 -3.090 -10.019 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.375 -4.837 -9.685 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.811 -3.826 -9.403 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.346 -2.108 -11.908 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.963 -2.719 -11.485 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.280 -3.051 -13.094 1.00 0.00 H new ATOM 646 N MET A 46 10.601 -7.023 -9.817 1.00 0.00 N ATOM 647 CA MET A 46 10.649 -7.700 -8.493 1.00 0.00 C ATOM 648 C MET A 46 11.854 -8.679 -8.501 1.00 0.00 C ATOM 649 O MET A 46 12.520 -8.870 -7.476 1.00 0.00 O ATOM 650 CB MET A 46 9.308 -8.418 -8.174 1.00 0.00 C ATOM 651 CG MET A 46 9.067 -9.753 -8.905 1.00 0.00 C ATOM 652 SD MET A 46 8.271 -10.934 -7.794 1.00 0.00 S ATOM 653 CE MET A 46 6.949 -9.924 -7.094 1.00 0.00 C ATOM 0 H MET A 46 9.749 -7.214 -10.344 1.00 0.00 H new ATOM 0 HA MET A 46 10.786 -6.966 -7.699 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.263 -8.601 -7.100 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.489 -7.741 -8.417 1.00 0.00 H new ATOM 0 HG2 MET A 46 8.441 -9.588 -9.782 1.00 0.00 H new ATOM 0 HG3 MET A 46 10.014 -10.158 -9.261 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.113 -10.564 -6.811 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.319 -9.400 -6.213 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.615 -9.198 -7.835 1.00 0.00 H new ATOM 663 N ARG A 47 12.110 -9.301 -9.667 1.00 0.00 N ATOM 664 CA ARG A 47 13.216 -10.278 -9.846 1.00 0.00 C ATOM 665 C ARG A 47 14.564 -9.577 -9.518 1.00 0.00 C ATOM 666 O ARG A 47 15.434 -10.162 -8.863 1.00 0.00 O ATOM 667 CB ARG A 47 13.213 -10.849 -11.291 1.00 0.00 C ATOM 668 CG ARG A 47 14.117 -12.086 -11.504 1.00 0.00 C ATOM 669 CD ARG A 47 15.585 -11.722 -11.800 1.00 0.00 C ATOM 670 NE ARG A 47 16.534 -12.476 -10.940 1.00 0.00 N ATOM 671 CZ ARG A 47 17.817 -12.746 -11.257 1.00 0.00 C ATOM 672 NH1 ARG A 47 18.402 -12.367 -12.392 1.00 0.00 N ATOM 673 NH2 ARG A 47 18.539 -13.430 -10.388 1.00 0.00 N ATOM 0 H ARG A 47 11.562 -9.146 -10.513 1.00 0.00 H new ATOM 0 HA ARG A 47 13.078 -11.119 -9.166 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.190 -11.114 -11.559 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.529 -10.063 -11.977 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.078 -12.714 -10.614 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.723 -12.678 -12.330 1.00 0.00 H new ATOM 0 HD2 ARG A 47 15.805 -11.928 -12.848 1.00 0.00 H new ATOM 0 HD3 ARG A 47 15.730 -10.652 -11.648 1.00 0.00 H new ATOM 0 HE ARG A 47 16.189 -12.815 -10.042 1.00 0.00 H new ATOM 0 HH11 ARG A 47 17.874 -11.838 -13.086 1.00 0.00 H new ATOM 0 HH12 ARG A 47 19.378 -12.606 -12.567 1.00 0.00 H new ATOM 0 HH21 ARG A 47 18.123 -13.737 -9.509 1.00 0.00 H new ATOM 0 HH22 ARG A 47 19.513 -13.651 -10.596 1.00 0.00 H new ATOM 687 N MET A 48 14.722 -8.332 -10.012 1.00 0.00 N ATOM 688 CA MET A 48 15.986 -7.561 -9.866 1.00 0.00 C ATOM 689 C MET A 48 16.382 -7.579 -8.364 1.00 0.00 C ATOM 690 O MET A 48 17.572 -7.630 -8.027 1.00 0.00 O ATOM 691 CB MET A 48 15.852 -6.115 -10.422 1.00 0.00 C ATOM 692 CG MET A 48 15.533 -5.019 -9.388 1.00 0.00 C ATOM 693 SD MET A 48 16.973 -3.954 -9.150 1.00 0.00 S ATOM 694 CE MET A 48 16.658 -2.657 -10.365 1.00 0.00 C ATOM 0 H MET A 48 13.991 -7.833 -10.518 1.00 0.00 H new ATOM 0 HA MET A 48 16.775 -8.025 -10.458 1.00 0.00 H new ATOM 0 HB2 MET A 48 16.783 -5.853 -10.924 1.00 0.00 H new ATOM 0 HB3 MET A 48 15.069 -6.110 -11.180 1.00 0.00 H new ATOM 0 HG2 MET A 48 14.684 -4.425 -9.726 1.00 0.00 H new ATOM 0 HG3 MET A 48 15.247 -5.474 -8.440 1.00 0.00 H new ATOM 0 HE1 MET A 48 17.465 -1.925 -10.334 1.00 0.00 H new ATOM 0 HE2 MET A 48 16.605 -3.097 -11.361 1.00 0.00 H new ATOM 0 HE3 MET A 48 15.713 -2.165 -10.135 1.00 0.00 H new ATOM 704 N LEU A 49 15.372 -7.546 -7.475 1.00 0.00 N ATOM 705 CA LEU A 49 15.584 -7.461 -6.005 1.00 0.00 C ATOM 706 C LEU A 49 16.289 -8.765 -5.546 1.00 0.00 C ATOM 707 O LEU A 49 17.256 -8.732 -4.775 1.00 0.00 O ATOM 708 CB LEU A 49 14.233 -7.239 -5.260 1.00 0.00 C ATOM 709 CG LEU A 49 13.560 -8.482 -4.608 1.00 0.00 C ATOM 710 CD1 LEU A 49 14.184 -8.845 -3.245 1.00 0.00 C ATOM 711 CD2 LEU A 49 12.040 -8.277 -4.452 1.00 0.00 C ATOM 0 H LEU A 49 14.389 -7.577 -7.746 1.00 0.00 H new ATOM 0 HA LEU A 49 16.213 -6.605 -5.762 1.00 0.00 H new ATOM 0 HB2 LEU A 49 14.398 -6.497 -4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 49 13.526 -6.806 -5.967 1.00 0.00 H new ATOM 0 HG LEU A 49 13.739 -9.316 -5.286 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.678 -9.719 -2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 49 15.243 -9.068 -3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.073 -8.005 -2.559 1.00 0.00 H new ATOM 0 HD21 LEU A 49 11.599 -9.162 -3.994 1.00 0.00 H new ATOM 0 HD22 LEU A 49 11.853 -7.409 -3.819 1.00 0.00 H new ATOM 0 HD23 LEU A 49 11.592 -8.114 -5.432 1.00 0.00 H new ATOM 723 N GLY A 50 15.807 -9.916 -6.057 1.00 0.00 N ATOM 724 CA GLY A 50 16.438 -11.235 -5.800 1.00 0.00 C ATOM 725 C GLY A 50 15.358 -12.282 -5.422 1.00 0.00 C ATOM 726 O GLY A 50 15.394 -12.859 -4.327 1.00 0.00 O ATOM 0 H GLY A 50 14.980 -9.963 -6.653 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.981 -11.565 -6.686 1.00 0.00 H new ATOM 0 HA3 GLY A 50 17.167 -11.147 -4.994 1.00 0.00 H new ATOM 730 N GLN A 51 14.397 -12.504 -6.338 1.00 0.00 N ATOM 731 CA GLN A 51 13.339 -13.537 -6.183 1.00 0.00 C ATOM 732 C GLN A 51 13.117 -14.216 -7.562 1.00 0.00 C ATOM 733 O GLN A 51 13.617 -13.738 -8.589 1.00 0.00 O ATOM 734 CB GLN A 51 12.039 -12.898 -5.617 1.00 0.00 C ATOM 735 CG GLN A 51 11.945 -12.786 -4.076 1.00 0.00 C ATOM 736 CD GLN A 51 10.528 -12.984 -3.508 1.00 0.00 C ATOM 737 OE1 GLN A 51 10.135 -14.092 -3.144 1.00 0.00 O ATOM 738 NE2 GLN A 51 9.734 -11.927 -3.425 1.00 0.00 N ATOM 0 H GLN A 51 14.326 -11.976 -7.208 1.00 0.00 H new ATOM 0 HA GLN A 51 13.644 -14.300 -5.466 1.00 0.00 H new ATOM 0 HB2 GLN A 51 11.937 -11.898 -6.040 1.00 0.00 H new ATOM 0 HB3 GLN A 51 11.189 -13.482 -5.970 1.00 0.00 H new ATOM 0 HG2 GLN A 51 12.609 -13.526 -3.629 1.00 0.00 H new ATOM 0 HG3 GLN A 51 12.311 -11.805 -3.772 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.069 -11.013 -3.729 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.788 -12.027 -3.057 1.00 0.00 H new ATOM 747 N ASN A 52 12.339 -15.314 -7.572 1.00 0.00 N ATOM 748 CA ASN A 52 11.939 -16.012 -8.822 1.00 0.00 C ATOM 749 C ASN A 52 10.472 -16.568 -8.698 1.00 0.00 C ATOM 750 O ASN A 52 10.313 -17.711 -8.254 1.00 0.00 O ATOM 751 CB ASN A 52 12.974 -17.131 -9.125 1.00 0.00 C ATOM 752 CG ASN A 52 12.889 -17.726 -10.547 1.00 0.00 C ATOM 753 OD1 ASN A 52 12.627 -17.019 -11.520 1.00 0.00 O ATOM 754 ND2 ASN A 52 13.099 -19.026 -10.696 1.00 0.00 N ATOM 0 H ASN A 52 11.969 -15.745 -6.725 1.00 0.00 H new ATOM 0 HA ASN A 52 11.936 -15.314 -9.659 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.976 -16.730 -8.974 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.840 -17.935 -8.402 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.044 -19.449 -11.623 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.316 -19.604 -9.884 1.00 0.00 H new ATOM 761 N PRO A 53 9.391 -15.835 -9.109 1.00 0.00 N ATOM 762 CA PRO A 53 7.992 -16.331 -9.055 1.00 0.00 C ATOM 763 C PRO A 53 7.656 -17.273 -10.242 1.00 0.00 C ATOM 764 O PRO A 53 8.531 -17.626 -11.042 1.00 0.00 O ATOM 765 CB PRO A 53 7.187 -15.014 -9.051 1.00 0.00 C ATOM 766 CG PRO A 53 8.040 -13.999 -9.817 1.00 0.00 C ATOM 767 CD PRO A 53 9.485 -14.438 -9.598 1.00 0.00 C ATOM 0 HA PRO A 53 7.771 -16.959 -8.191 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.216 -15.148 -9.528 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.997 -14.675 -8.033 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.787 -13.994 -10.877 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.876 -12.988 -9.445 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.059 -14.381 -10.523 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.986 -13.798 -8.872 1.00 0.00 H new ATOM 775 N THR A 54 6.377 -17.684 -10.335 1.00 0.00 N ATOM 776 CA THR A 54 5.876 -18.580 -11.412 1.00 0.00 C ATOM 777 C THR A 54 4.902 -17.773 -12.313 1.00 0.00 C ATOM 778 O THR A 54 4.252 -16.828 -11.848 1.00 0.00 O ATOM 779 CB THR A 54 5.233 -19.883 -10.841 1.00 0.00 C ATOM 780 OG1 THR A 54 4.768 -20.719 -11.898 1.00 0.00 O ATOM 781 CG2 THR A 54 4.065 -19.662 -9.861 1.00 0.00 C ATOM 0 H THR A 54 5.656 -17.408 -9.668 1.00 0.00 H new ATOM 0 HA THR A 54 6.714 -18.923 -12.020 1.00 0.00 H new ATOM 0 HB THR A 54 6.039 -20.352 -10.277 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.370 -21.531 -11.521 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.688 -20.627 -9.521 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.413 -19.086 -9.003 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.266 -19.116 -10.364 1.00 0.00 H new ATOM 789 N LYS A 55 4.837 -18.140 -13.606 1.00 0.00 N ATOM 790 CA LYS A 55 4.038 -17.404 -14.622 1.00 0.00 C ATOM 791 C LYS A 55 2.569 -17.341 -14.122 1.00 0.00 C ATOM 792 O LYS A 55 1.876 -16.335 -14.316 1.00 0.00 O ATOM 793 CB LYS A 55 4.169 -18.088 -16.016 1.00 0.00 C ATOM 794 CG LYS A 55 2.903 -18.769 -16.591 1.00 0.00 C ATOM 795 CD LYS A 55 3.015 -20.298 -16.795 1.00 0.00 C ATOM 796 CE LYS A 55 3.824 -21.036 -15.710 1.00 0.00 C ATOM 797 NZ LYS A 55 4.086 -22.451 -16.038 1.00 0.00 N ATOM 0 H LYS A 55 5.331 -18.949 -13.982 1.00 0.00 H new ATOM 0 HA LYS A 55 4.408 -16.386 -14.748 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.503 -17.336 -16.731 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.957 -18.839 -15.951 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.066 -18.568 -15.923 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.664 -18.307 -17.549 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.011 -20.720 -16.830 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.475 -20.489 -17.765 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.774 -20.522 -15.563 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.284 -20.983 -14.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.633 -22.890 -15.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.183 -22.954 -16.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.627 -22.507 -16.924 1.00 0.00 H new ATOM 811 N GLU A 56 2.112 -18.431 -13.478 1.00 0.00 N ATOM 812 CA GLU A 56 0.703 -18.584 -13.030 1.00 0.00 C ATOM 813 C GLU A 56 0.481 -17.680 -11.786 1.00 0.00 C ATOM 814 O GLU A 56 -0.433 -16.847 -11.761 1.00 0.00 O ATOM 815 CB GLU A 56 0.378 -20.084 -12.770 1.00 0.00 C ATOM 816 CG GLU A 56 0.671 -20.619 -11.348 1.00 0.00 C ATOM 817 CD GLU A 56 0.182 -22.050 -11.104 1.00 0.00 C ATOM 818 OE1 GLU A 56 -0.638 -22.554 -11.904 1.00 0.00 O ATOM 819 OE2 GLU A 56 0.617 -22.678 -10.114 1.00 0.00 O ATOM 0 H GLU A 56 2.702 -19.232 -13.251 1.00 0.00 H new ATOM 0 HA GLU A 56 0.009 -18.259 -13.805 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.678 -20.246 -12.984 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.943 -20.684 -13.483 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.746 -20.579 -11.171 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.203 -19.957 -10.619 1.00 0.00 H new ATOM 826 N GLU A 57 1.311 -17.884 -10.746 1.00 0.00 N ATOM 827 CA GLU A 57 1.172 -17.188 -9.438 1.00 0.00 C ATOM 828 C GLU A 57 0.973 -15.666 -9.680 1.00 0.00 C ATOM 829 O GLU A 57 0.149 -15.026 -9.017 1.00 0.00 O ATOM 830 CB GLU A 57 2.382 -17.489 -8.505 1.00 0.00 C ATOM 831 CG GLU A 57 2.593 -16.567 -7.278 1.00 0.00 C ATOM 832 CD GLU A 57 1.886 -17.043 -6.005 1.00 0.00 C ATOM 833 OE1 GLU A 57 0.689 -16.726 -5.824 1.00 0.00 O ATOM 834 OE2 GLU A 57 2.523 -17.737 -5.182 1.00 0.00 O ATOM 0 H GLU A 57 2.097 -18.533 -10.781 1.00 0.00 H new ATOM 0 HA GLU A 57 0.290 -17.566 -8.921 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.279 -18.512 -8.142 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.288 -17.455 -9.110 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.661 -16.486 -7.078 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.238 -15.566 -7.524 1.00 0.00 H new ATOM 841 N LEU A 58 1.756 -15.099 -10.617 1.00 0.00 N ATOM 842 CA LEU A 58 1.767 -13.637 -10.889 1.00 0.00 C ATOM 843 C LEU A 58 0.336 -13.188 -11.292 1.00 0.00 C ATOM 844 O LEU A 58 -0.220 -12.252 -10.704 1.00 0.00 O ATOM 845 CB LEU A 58 2.847 -13.341 -11.970 1.00 0.00 C ATOM 846 CG LEU A 58 4.120 -12.582 -11.497 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.386 -12.971 -12.291 1.00 0.00 C ATOM 848 CD2 LEU A 58 3.902 -11.058 -11.575 1.00 0.00 C ATOM 0 H LEU A 58 2.397 -15.631 -11.206 1.00 0.00 H new ATOM 0 HA LEU A 58 2.036 -13.059 -10.005 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.159 -14.289 -12.407 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.381 -12.761 -12.766 1.00 0.00 H new ATOM 0 HG LEU A 58 4.287 -12.879 -10.461 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.239 -12.408 -11.914 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.575 -14.038 -12.174 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.238 -12.742 -13.346 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.803 -10.544 -11.240 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.683 -10.774 -12.604 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.065 -10.777 -10.936 1.00 0.00 H new ATOM 860 N ASP A 59 -0.228 -13.849 -12.319 1.00 0.00 N ATOM 861 CA ASP A 59 -1.595 -13.559 -12.827 1.00 0.00 C ATOM 862 C ASP A 59 -2.570 -13.447 -11.622 1.00 0.00 C ATOM 863 O ASP A 59 -3.576 -12.731 -11.692 1.00 0.00 O ATOM 864 CB ASP A 59 -2.055 -14.619 -13.870 1.00 0.00 C ATOM 865 CG ASP A 59 -3.447 -14.401 -14.488 1.00 0.00 C ATOM 866 OD1 ASP A 59 -4.453 -14.454 -13.747 1.00 0.00 O ATOM 867 OD2 ASP A 59 -3.535 -14.170 -15.714 1.00 0.00 O ATOM 0 H ASP A 59 0.244 -14.599 -12.824 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.591 -12.606 -13.357 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.322 -14.647 -14.676 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.041 -15.599 -13.392 1.00 0.00 H new ATOM 872 N ALA A 60 -2.268 -14.178 -10.533 1.00 0.00 N ATOM 873 CA ALA A 60 -3.097 -14.177 -9.298 1.00 0.00 C ATOM 874 C ALA A 60 -3.014 -12.795 -8.595 1.00 0.00 C ATOM 875 O ALA A 60 -4.040 -12.209 -8.230 1.00 0.00 O ATOM 876 CB ALA A 60 -2.625 -15.318 -8.375 1.00 0.00 C ATOM 0 H ALA A 60 -1.450 -14.784 -10.477 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.144 -14.347 -9.550 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.228 -15.324 -7.467 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.735 -16.272 -8.890 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.578 -15.165 -8.114 1.00 0.00 H new ATOM 882 N ILE A 61 -1.779 -12.307 -8.383 1.00 0.00 N ATOM 883 CA ILE A 61 -1.495 -11.012 -7.705 1.00 0.00 C ATOM 884 C ILE A 61 -2.455 -9.951 -8.300 1.00 0.00 C ATOM 885 O ILE A 61 -3.151 -9.244 -7.556 1.00 0.00 O ATOM 886 CB ILE A 61 0.039 -10.648 -7.789 1.00 0.00 C ATOM 887 CG1 ILE A 61 0.871 -11.599 -6.862 1.00 0.00 C ATOM 888 CG2 ILE A 61 0.344 -9.163 -7.465 1.00 0.00 C ATOM 889 CD1 ILE A 61 0.692 -13.114 -7.070 1.00 0.00 C ATOM 0 H ILE A 61 -0.936 -12.799 -8.677 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.689 -11.067 -6.634 1.00 0.00 H new ATOM 0 HB ILE A 61 0.336 -10.795 -8.828 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.927 -11.362 -6.994 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.620 -11.368 -5.827 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.417 -8.987 -7.543 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.181 -8.521 -8.172 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.011 -8.936 -6.452 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.324 -13.655 -6.365 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.351 -13.383 -6.903 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.976 -13.378 -8.089 1.00 0.00 H new ATOM 901 N ILE A 62 -2.477 -9.837 -9.641 1.00 0.00 N ATOM 902 CA ILE A 62 -3.245 -8.792 -10.371 1.00 0.00 C ATOM 903 C ILE A 62 -4.749 -9.111 -10.147 1.00 0.00 C ATOM 904 O ILE A 62 -5.556 -8.196 -9.927 1.00 0.00 O ATOM 905 CB ILE A 62 -2.806 -8.690 -11.880 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.399 -8.036 -12.055 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.851 -7.946 -12.756 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.110 -7.426 -13.437 1.00 0.00 C ATOM 0 H ILE A 62 -1.963 -10.466 -10.258 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.040 -7.793 -9.987 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.744 -9.721 -12.229 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.287 -7.254 -11.303 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.640 -8.790 -11.846 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.498 -7.904 -13.786 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.802 -8.478 -12.719 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.987 -6.933 -12.378 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.106 -7.001 -13.444 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.181 -8.202 -14.199 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.837 -6.642 -13.648 1.00 0.00 H new ATOM 920 N GLU A 63 -5.105 -10.409 -10.178 1.00 0.00 N ATOM 921 CA GLU A 63 -6.508 -10.869 -9.987 1.00 0.00 C ATOM 922 C GLU A 63 -7.074 -10.202 -8.703 1.00 0.00 C ATOM 923 O GLU A 63 -8.262 -9.858 -8.645 1.00 0.00 O ATOM 924 CB GLU A 63 -6.584 -12.423 -9.965 1.00 0.00 C ATOM 925 CG GLU A 63 -7.194 -13.099 -11.217 1.00 0.00 C ATOM 926 CD GLU A 63 -8.246 -14.168 -10.903 1.00 0.00 C ATOM 927 OE1 GLU A 63 -8.149 -14.818 -9.839 1.00 0.00 O ATOM 928 OE2 GLU A 63 -9.176 -14.360 -11.717 1.00 0.00 O ATOM 0 H GLU A 63 -4.441 -11.168 -10.334 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.132 -10.562 -10.827 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.576 -12.813 -9.823 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.168 -12.724 -9.095 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.647 -12.333 -11.846 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.392 -13.554 -11.798 1.00 0.00 H new ATOM 935 N GLU A 64 -6.211 -10.032 -7.684 1.00 0.00 N ATOM 936 CA GLU A 64 -6.604 -9.435 -6.380 1.00 0.00 C ATOM 937 C GLU A 64 -7.108 -7.989 -6.638 1.00 0.00 C ATOM 938 O GLU A 64 -8.258 -7.656 -6.332 1.00 0.00 O ATOM 939 CB GLU A 64 -5.421 -9.516 -5.372 1.00 0.00 C ATOM 940 CG GLU A 64 -4.988 -8.188 -4.707 1.00 0.00 C ATOM 941 CD GLU A 64 -4.132 -8.367 -3.449 1.00 0.00 C ATOM 942 OE1 GLU A 64 -3.018 -8.927 -3.550 1.00 0.00 O ATOM 943 OE2 GLU A 64 -4.572 -7.952 -2.354 1.00 0.00 O ATOM 0 H GLU A 64 -5.228 -10.300 -7.733 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.420 -9.992 -5.919 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.691 -10.219 -4.585 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.559 -9.935 -5.891 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.429 -7.596 -5.432 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.879 -7.616 -4.448 1.00 0.00 H new ATOM 950 N VAL A 65 -6.236 -7.152 -7.231 1.00 0.00 N ATOM 951 CA VAL A 65 -6.590 -5.769 -7.654 1.00 0.00 C ATOM 952 C VAL A 65 -7.318 -5.876 -9.022 1.00 0.00 C ATOM 953 O VAL A 65 -7.960 -6.894 -9.314 1.00 0.00 O ATOM 954 CB VAL A 65 -5.337 -4.823 -7.672 1.00 0.00 C ATOM 955 CG1 VAL A 65 -4.516 -4.878 -8.985 1.00 0.00 C ATOM 956 CG2 VAL A 65 -5.698 -3.344 -7.394 1.00 0.00 C ATOM 0 H VAL A 65 -5.269 -7.406 -7.433 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.261 -5.301 -6.934 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.719 -5.214 -6.864 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.669 -4.195 -8.914 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.151 -5.893 -9.144 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.149 -4.585 -9.822 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.793 -2.738 -7.419 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.393 -2.990 -8.155 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.163 -3.261 -6.412 1.00 0.00 H new ATOM 966 N ASP A 66 -7.210 -4.822 -9.851 1.00 0.00 N ATOM 967 CA ASP A 66 -7.851 -4.780 -11.193 1.00 0.00 C ATOM 968 C ASP A 66 -9.391 -4.860 -11.011 1.00 0.00 C ATOM 969 O ASP A 66 -10.006 -5.901 -11.266 1.00 0.00 O ATOM 970 CB ASP A 66 -7.299 -5.895 -12.127 1.00 0.00 C ATOM 971 CG ASP A 66 -7.151 -5.522 -13.613 1.00 0.00 C ATOM 972 OD1 ASP A 66 -8.142 -5.642 -14.367 1.00 0.00 O ATOM 973 OD2 ASP A 66 -6.048 -5.102 -14.026 1.00 0.00 O ATOM 0 H ASP A 66 -6.683 -3.980 -9.620 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.608 -3.840 -11.688 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.323 -6.205 -11.752 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.958 -6.760 -12.054 1.00 0.00 H new ATOM 978 N GLU A 67 -9.996 -3.733 -10.583 1.00 0.00 N ATOM 979 CA GLU A 67 -11.452 -3.650 -10.292 1.00 0.00 C ATOM 980 C GLU A 67 -12.221 -3.482 -11.630 1.00 0.00 C ATOM 981 O GLU A 67 -13.376 -3.911 -11.749 1.00 0.00 O ATOM 982 CB GLU A 67 -11.737 -2.515 -9.265 1.00 0.00 C ATOM 983 CG GLU A 67 -13.038 -2.645 -8.437 1.00 0.00 C ATOM 984 CD GLU A 67 -12.907 -3.541 -7.202 1.00 0.00 C ATOM 985 OE1 GLU A 67 -11.980 -4.380 -7.157 1.00 0.00 O ATOM 986 OE2 GLU A 67 -13.734 -3.413 -6.271 1.00 0.00 O ATOM 0 H GLU A 67 -9.497 -2.857 -10.428 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.806 -4.569 -9.824 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.896 -2.461 -8.573 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.768 -1.568 -9.803 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.355 -1.651 -8.120 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.826 -3.041 -9.078 1.00 0.00 H new ATOM 993 N ASP A 68 -11.582 -2.829 -12.622 1.00 0.00 N ATOM 994 CA ASP A 68 -12.206 -2.549 -13.944 1.00 0.00 C ATOM 995 C ASP A 68 -12.113 -3.824 -14.825 1.00 0.00 C ATOM 996 O ASP A 68 -12.982 -4.077 -15.671 1.00 0.00 O ATOM 997 CB ASP A 68 -11.575 -1.302 -14.634 1.00 0.00 C ATOM 998 CG ASP A 68 -10.039 -1.250 -14.666 1.00 0.00 C ATOM 999 OD1 ASP A 68 -9.391 -2.302 -14.466 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -9.476 -0.157 -14.899 1.00 0.00 O ATOM 0 H ASP A 68 -10.627 -2.481 -12.537 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.257 -2.300 -13.799 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.941 -1.256 -15.660 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.938 -0.409 -14.126 1.00 0.00 H new ATOM 1005 N GLY A 69 -11.067 -4.644 -14.597 1.00 0.00 N ATOM 1006 CA GLY A 69 -10.871 -5.918 -15.334 1.00 0.00 C ATOM 1007 C GLY A 69 -10.318 -5.637 -16.755 1.00 0.00 C ATOM 1008 O GLY A 69 -10.741 -6.265 -17.734 1.00 0.00 O ATOM 0 H GLY A 69 -10.341 -4.450 -13.907 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.180 -6.560 -14.788 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.817 -6.455 -15.404 1.00 0.00 H new ATOM 1012 N SER A 70 -9.368 -4.686 -16.847 1.00 0.00 N ATOM 1013 CA SER A 70 -8.668 -4.350 -18.115 1.00 0.00 C ATOM 1014 C SER A 70 -7.591 -5.425 -18.422 1.00 0.00 C ATOM 1015 O SER A 70 -7.410 -5.840 -19.573 1.00 0.00 O ATOM 1016 CB SER A 70 -8.069 -2.929 -18.011 1.00 0.00 C ATOM 1017 OG SER A 70 -7.395 -2.738 -16.772 1.00 0.00 O ATOM 0 H SER A 70 -9.061 -4.127 -16.051 1.00 0.00 H new ATOM 0 HA SER A 70 -9.372 -4.351 -18.947 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.374 -2.765 -18.834 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.863 -2.190 -18.112 1.00 0.00 H new ATOM 0 HG SER A 70 -8.040 -2.459 -16.088 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.895 -5.894 -17.365 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.857 -6.947 -17.492 1.00 0.00 C ATOM 1025 C GLY A 71 -4.451 -6.352 -17.217 1.00 0.00 C ATOM 1026 O GLY A 71 -3.564 -7.042 -16.697 1.00 0.00 O ATOM 0 H GLY A 71 -7.031 -5.561 -16.411 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.061 -7.755 -16.790 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.888 -7.379 -18.492 1.00 0.00 H new ATOM 1030 N THR A 72 -4.269 -5.067 -17.576 1.00 0.00 N ATOM 1031 CA THR A 72 -2.978 -4.346 -17.418 1.00 0.00 C ATOM 1032 C THR A 72 -3.098 -3.366 -16.220 1.00 0.00 C ATOM 1033 O THR A 72 -4.121 -3.341 -15.521 1.00 0.00 O ATOM 1034 CB THR A 72 -2.537 -3.637 -18.738 1.00 0.00 C ATOM 1035 OG1 THR A 72 -3.654 -3.023 -19.376 1.00 0.00 O ATOM 1036 CG2 THR A 72 -1.841 -4.546 -19.768 1.00 0.00 C ATOM 0 H THR A 72 -5.008 -4.494 -17.984 1.00 0.00 H new ATOM 0 HA THR A 72 -2.186 -5.063 -17.203 1.00 0.00 H new ATOM 0 HB THR A 72 -1.801 -2.902 -18.413 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.359 -2.582 -20.200 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.574 -3.961 -20.648 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.939 -4.971 -19.328 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.517 -5.351 -20.059 1.00 0.00 H new ATOM 1044 N ILE A 73 -2.057 -2.539 -16.006 1.00 0.00 N ATOM 1045 CA ILE A 73 -2.006 -1.541 -14.904 1.00 0.00 C ATOM 1046 C ILE A 73 -1.520 -0.211 -15.545 1.00 0.00 C ATOM 1047 O ILE A 73 -0.316 0.068 -15.581 1.00 0.00 O ATOM 1048 CB ILE A 73 -1.135 -2.047 -13.692 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.772 -3.271 -12.960 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -0.825 -0.920 -12.670 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -1.179 -3.611 -11.582 1.00 0.00 C ATOM 0 H ILE A 73 -1.221 -2.539 -16.591 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.985 -1.381 -14.452 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.194 -2.373 -14.135 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.839 -3.083 -12.839 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.674 -4.146 -13.603 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.223 -1.323 -11.856 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.276 -0.120 -13.166 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.759 -0.525 -12.270 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.696 -4.476 -11.167 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.118 -3.839 -11.688 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.302 -2.759 -10.913 1.00 0.00 H new ATOM 1063 N ASP A 74 -2.473 0.604 -16.037 1.00 0.00 N ATOM 1064 CA ASP A 74 -2.169 1.913 -16.674 1.00 0.00 C ATOM 1065 C ASP A 74 -1.577 2.874 -15.606 1.00 0.00 C ATOM 1066 O ASP A 74 -1.453 2.527 -14.422 1.00 0.00 O ATOM 1067 CB ASP A 74 -3.422 2.508 -17.383 1.00 0.00 C ATOM 1068 CG ASP A 74 -4.361 1.494 -18.059 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -5.289 0.990 -17.388 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -4.172 1.200 -19.260 1.00 0.00 O ATOM 0 H ASP A 74 -3.468 0.382 -16.008 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.425 1.770 -17.457 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.997 3.071 -16.648 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.085 3.219 -18.137 1.00 0.00 H new ATOM 1075 N PHE A 75 -1.195 4.089 -16.045 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.557 5.106 -15.164 1.00 0.00 C ATOM 1077 C PHE A 75 -1.623 5.631 -14.165 1.00 0.00 C ATOM 1078 O PHE A 75 -1.328 5.861 -12.987 1.00 0.00 O ATOM 1079 CB PHE A 75 0.068 6.252 -16.012 1.00 0.00 C ATOM 1080 CG PHE A 75 0.799 7.344 -15.204 1.00 0.00 C ATOM 1081 CD1 PHE A 75 1.377 7.041 -13.965 1.00 0.00 C ATOM 1082 CD2 PHE A 75 0.880 8.652 -15.695 1.00 0.00 C ATOM 1083 CE1 PHE A 75 2.016 8.034 -13.226 1.00 0.00 C ATOM 1084 CE2 PHE A 75 1.519 9.643 -14.954 1.00 0.00 C ATOM 1085 CZ PHE A 75 2.086 9.333 -13.721 1.00 0.00 C ATOM 0 H PHE A 75 -1.315 4.398 -17.010 1.00 0.00 H new ATOM 0 HA PHE A 75 0.260 4.658 -14.599 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.771 5.815 -16.721 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.723 6.723 -16.596 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.327 6.033 -13.581 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.445 8.894 -16.653 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.457 7.796 -12.269 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.575 10.652 -15.336 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.581 10.102 -13.147 1.00 0.00 H new ATOM 1095 N GLU A 76 -2.865 5.801 -14.655 1.00 0.00 N ATOM 1096 CA GLU A 76 -3.984 6.370 -13.859 1.00 0.00 C ATOM 1097 C GLU A 76 -4.392 5.355 -12.756 1.00 0.00 C ATOM 1098 O GLU A 76 -4.775 5.747 -11.648 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.176 6.774 -14.774 1.00 0.00 C ATOM 1100 CG GLU A 76 -4.872 7.088 -16.260 1.00 0.00 C ATOM 1101 CD GLU A 76 -4.907 8.580 -16.606 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -4.293 9.387 -15.873 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -5.551 8.952 -17.612 1.00 0.00 O ATOM 0 H GLU A 76 -3.127 5.551 -15.609 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.658 7.288 -13.370 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.909 5.967 -14.745 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.651 7.652 -14.337 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.888 6.692 -16.510 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.595 6.564 -16.886 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.281 4.053 -13.076 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.671 2.945 -12.163 1.00 0.00 C ATOM 1112 C GLU A 77 -3.563 2.730 -11.096 1.00 0.00 C ATOM 1113 O GLU A 77 -3.845 2.266 -9.983 1.00 0.00 O ATOM 1114 CB GLU A 77 -4.971 1.633 -12.947 1.00 0.00 C ATOM 1115 CG GLU A 77 -4.727 0.308 -12.187 1.00 0.00 C ATOM 1116 CD GLU A 77 -5.210 -0.924 -12.956 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -5.294 -0.864 -14.203 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -5.503 -1.960 -12.320 1.00 0.00 O ATOM 0 H GLU A 77 -3.919 3.731 -13.974 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.595 3.223 -11.656 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.013 1.657 -13.267 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.360 1.627 -13.850 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.662 0.205 -11.981 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.235 0.350 -11.224 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.308 3.062 -11.450 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.138 2.909 -10.545 1.00 0.00 C ATOM 1127 C PHE A 78 -1.308 3.875 -9.340 1.00 0.00 C ATOM 1128 O PHE A 78 -1.017 3.512 -8.194 1.00 0.00 O ATOM 1129 CB PHE A 78 0.191 3.155 -11.324 1.00 0.00 C ATOM 1130 CG PHE A 78 1.480 2.823 -10.545 1.00 0.00 C ATOM 1131 CD1 PHE A 78 2.032 3.762 -9.666 1.00 0.00 C ATOM 1132 CD2 PHE A 78 2.132 1.599 -10.737 1.00 0.00 C ATOM 1133 CE1 PHE A 78 3.217 3.481 -8.990 1.00 0.00 C ATOM 1134 CE2 PHE A 78 3.317 1.321 -10.060 1.00 0.00 C ATOM 1135 CZ PHE A 78 3.858 2.261 -9.186 1.00 0.00 C ATOM 0 H PHE A 78 -2.070 3.443 -12.366 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.087 1.890 -10.161 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.174 2.560 -12.237 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.228 4.202 -11.627 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.537 4.709 -9.511 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.714 0.867 -11.413 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.639 4.210 -8.314 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.817 0.376 -10.213 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.776 2.043 -8.660 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.754 5.112 -9.626 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.874 6.191 -8.610 1.00 0.00 C ATOM 1147 C LEU A 79 -3.026 5.825 -7.635 1.00 0.00 C ATOM 1148 O LEU A 79 -2.998 6.205 -6.457 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.115 7.571 -9.294 1.00 0.00 C ATOM 1150 CG LEU A 79 -0.864 8.369 -9.765 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.119 9.057 -11.121 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -0.402 9.412 -8.726 1.00 0.00 C ATOM 0 H LEU A 79 -2.042 5.398 -10.562 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.945 6.278 -8.047 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.756 7.409 -10.160 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.672 8.199 -8.598 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.063 7.639 -9.880 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.228 9.606 -11.424 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.354 8.304 -11.873 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.956 9.748 -11.026 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.473 9.940 -9.105 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.206 10.126 -8.545 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.147 8.908 -7.794 1.00 0.00 H new ATOM 1164 N VAL A 80 -4.045 5.108 -8.144 1.00 0.00 N ATOM 1165 CA VAL A 80 -5.230 4.686 -7.349 1.00 0.00 C ATOM 1166 C VAL A 80 -4.797 3.524 -6.413 1.00 0.00 C ATOM 1167 O VAL A 80 -5.357 3.357 -5.321 1.00 0.00 O ATOM 1168 CB VAL A 80 -6.451 4.329 -8.272 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -6.636 2.803 -8.456 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -7.801 4.923 -7.799 1.00 0.00 C ATOM 0 H VAL A 80 -4.077 4.801 -9.116 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.585 5.510 -6.730 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.188 4.790 -9.224 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.494 2.616 -9.102 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.740 2.380 -8.910 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -6.805 2.337 -7.485 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.590 4.629 -8.491 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.034 4.548 -6.802 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.730 6.010 -7.770 1.00 0.00 H new ATOM 1180 N MET A 81 -3.822 2.712 -6.864 1.00 0.00 N ATOM 1181 CA MET A 81 -3.306 1.545 -6.097 1.00 0.00 C ATOM 1182 C MET A 81 -2.594 2.070 -4.821 1.00 0.00 C ATOM 1183 O MET A 81 -2.684 1.453 -3.751 1.00 0.00 O ATOM 1184 CB MET A 81 -2.369 0.663 -6.970 1.00 0.00 C ATOM 1185 CG MET A 81 -2.104 -0.759 -6.441 1.00 0.00 C ATOM 1186 SD MET A 81 -0.615 -1.439 -7.206 1.00 0.00 S ATOM 1187 CE MET A 81 -0.704 -3.164 -6.680 1.00 0.00 C ATOM 0 H MET A 81 -3.366 2.840 -7.767 1.00 0.00 H new ATOM 0 HA MET A 81 -4.135 0.902 -5.802 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.800 0.585 -7.968 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.413 1.175 -7.075 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.988 -0.736 -5.357 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.958 -1.401 -6.657 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.152 -3.710 -7.077 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.692 -3.213 -5.591 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.625 -3.611 -7.054 1.00 0.00 H new ATOM 1197 N MET A 82 -1.862 3.192 -4.957 1.00 0.00 N ATOM 1198 CA MET A 82 -1.030 3.754 -3.858 1.00 0.00 C ATOM 1199 C MET A 82 -1.934 4.581 -2.901 1.00 0.00 C ATOM 1200 O MET A 82 -1.696 4.616 -1.687 1.00 0.00 O ATOM 1201 CB MET A 82 0.145 4.580 -4.452 1.00 0.00 C ATOM 1202 CG MET A 82 0.043 6.106 -4.248 1.00 0.00 C ATOM 1203 SD MET A 82 1.079 6.651 -2.871 1.00 0.00 S ATOM 1204 CE MET A 82 2.674 5.923 -3.299 1.00 0.00 C ATOM 0 H MET A 82 -1.825 3.735 -5.820 1.00 0.00 H new ATOM 0 HA MET A 82 -0.582 2.954 -3.269 1.00 0.00 H new ATOM 0 HB2 MET A 82 1.076 4.231 -4.005 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.208 4.376 -5.521 1.00 0.00 H new ATOM 0 HG2 MET A 82 0.347 6.619 -5.161 1.00 0.00 H new ATOM 0 HG3 MET A 82 -0.994 6.382 -4.058 1.00 0.00 H new ATOM 0 HE1 MET A 82 3.474 6.609 -3.020 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.800 4.982 -2.763 1.00 0.00 H new ATOM 0 HE3 MET A 82 2.713 5.737 -4.372 1.00 0.00 H new ATOM 1214 N VAL A 83 -2.961 5.242 -3.467 1.00 0.00 N ATOM 1215 CA VAL A 83 -3.850 6.167 -2.713 1.00 0.00 C ATOM 1216 C VAL A 83 -4.708 5.306 -1.745 1.00 0.00 C ATOM 1217 O VAL A 83 -4.959 5.708 -0.602 1.00 0.00 O ATOM 1218 CB VAL A 83 -4.697 7.077 -3.672 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -6.215 7.007 -3.383 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -4.276 8.569 -3.669 1.00 0.00 C ATOM 0 H VAL A 83 -3.203 5.156 -4.454 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.264 6.874 -2.126 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.487 6.661 -4.657 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.748 7.657 -4.077 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.562 5.981 -3.507 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.406 7.334 -2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.910 9.127 -4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.385 8.976 -2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.236 8.654 -3.984 1.00 0.00 H new ATOM 1230 N ARG A 84 -5.147 4.127 -2.222 1.00 0.00 N ATOM 1231 CA ARG A 84 -6.067 3.233 -1.469 1.00 0.00 C ATOM 1232 C ARG A 84 -5.423 2.936 -0.088 1.00 0.00 C ATOM 1233 O ARG A 84 -5.963 3.318 0.957 1.00 0.00 O ATOM 1234 CB ARG A 84 -6.332 1.924 -2.265 1.00 0.00 C ATOM 1235 CG ARG A 84 -7.717 1.843 -2.950 1.00 0.00 C ATOM 1236 CD ARG A 84 -8.052 0.426 -3.451 1.00 0.00 C ATOM 1237 NE ARG A 84 -9.517 0.203 -3.537 1.00 0.00 N ATOM 1238 CZ ARG A 84 -10.295 -0.199 -2.511 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -10.018 0.154 -1.263 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -11.394 -0.909 -2.725 1.00 0.00 N ATOM 0 H ARG A 84 -4.879 3.762 -3.136 1.00 0.00 H new ATOM 0 HA ARG A 84 -7.033 3.717 -1.325 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.560 1.818 -3.027 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.229 1.077 -1.587 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.485 2.166 -2.247 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.743 2.536 -3.791 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.603 0.272 -4.432 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.611 -0.311 -2.779 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.968 0.366 -4.437 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.206 0.739 -1.067 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.617 -0.159 -0.499 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.662 -1.159 -3.677 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.971 -1.205 -1.938 1.00 0.00 H new ATOM 1254 N GLN A 85 -4.278 2.227 -0.102 1.00 0.00 N ATOM 1255 CA GLN A 85 -3.577 1.789 1.135 1.00 0.00 C ATOM 1256 C GLN A 85 -3.190 3.047 1.959 1.00 0.00 C ATOM 1257 O GLN A 85 -3.135 2.997 3.194 1.00 0.00 O ATOM 1258 CB GLN A 85 -2.345 0.912 0.772 1.00 0.00 C ATOM 1259 CG GLN A 85 -1.045 1.674 0.412 1.00 0.00 C ATOM 1260 CD GLN A 85 0.242 1.028 0.954 1.00 0.00 C ATOM 1261 OE1 GLN A 85 1.088 0.555 0.195 1.00 0.00 O ATOM 1262 NE2 GLN A 85 0.418 0.990 2.267 1.00 0.00 N ATOM 0 H GLN A 85 -3.810 1.940 -0.962 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.231 1.169 1.748 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -2.134 0.253 1.614 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -2.614 0.276 -0.071 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -0.971 1.748 -0.673 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -1.116 2.691 0.797 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -0.289 1.385 2.888 1.00 0.00 H new ATOM 0 HE22 GLN A 85 1.260 0.566 2.657 1.00 0.00 H new ATOM 1271 N MET A 86 -2.893 4.156 1.258 1.00 0.00 N ATOM 1272 CA MET A 86 -2.414 5.420 1.881 1.00 0.00 C ATOM 1273 C MET A 86 -3.359 5.765 3.065 1.00 0.00 C ATOM 1274 O MET A 86 -2.906 6.244 4.112 1.00 0.00 O ATOM 1275 CB MET A 86 -2.334 6.570 0.838 1.00 0.00 C ATOM 1276 CG MET A 86 -0.946 7.213 0.653 1.00 0.00 C ATOM 1277 SD MET A 86 -1.081 9.013 0.741 1.00 0.00 S ATOM 1278 CE MET A 86 -2.431 9.323 -0.415 1.00 0.00 C ATOM 0 H MET A 86 -2.976 4.209 0.243 1.00 0.00 H new ATOM 0 HA MET A 86 -1.400 5.290 2.259 1.00 0.00 H new ATOM 0 HB2 MET A 86 -2.666 6.184 -0.126 1.00 0.00 H new ATOM 0 HB3 MET A 86 -3.038 7.349 1.130 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.264 6.853 1.423 1.00 0.00 H new ATOM 0 HG3 MET A 86 -0.525 6.918 -0.308 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.061 9.907 -1.258 1.00 0.00 H new ATOM 0 HE2 MET A 86 -2.826 8.373 -0.777 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.223 9.876 0.090 1.00 0.00 H new ATOM 1288 N LYS A 87 -4.664 5.486 2.889 1.00 0.00 N ATOM 1289 CA LYS A 87 -5.706 5.783 3.908 1.00 0.00 C ATOM 1290 C LYS A 87 -5.293 5.104 5.242 1.00 0.00 C ATOM 1291 O LYS A 87 -4.582 4.091 5.242 1.00 0.00 O ATOM 1292 CB LYS A 87 -7.110 5.278 3.471 1.00 0.00 C ATOM 1293 CG LYS A 87 -7.830 6.147 2.413 1.00 0.00 C ATOM 1294 CD LYS A 87 -8.168 5.423 1.093 1.00 0.00 C ATOM 1295 CE LYS A 87 -9.432 5.938 0.376 1.00 0.00 C ATOM 1296 NZ LYS A 87 -10.196 4.833 -0.230 1.00 0.00 N ATOM 0 H LYS A 87 -5.032 5.050 2.043 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.777 6.864 4.028 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.007 4.267 3.077 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.745 5.212 4.355 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -8.754 6.529 2.847 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.204 7.010 2.186 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.319 5.518 0.416 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.293 4.360 1.300 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.063 6.471 1.087 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.148 6.652 -0.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.040 5.213 -0.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.601 4.340 -0.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.487 4.165 0.512 1.00 0.00 H new