USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=14 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= -2.59! C(o=-2.6!,f=-2.9!) USER MOD Single : A 7 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.019) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0227 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0199) USER MOD Single : A 28 MET CE :methyl -153:sc= -0.171 (180deg=-1.13) USER MOD Single : A 38 SER OG : rot 180:sc= -0.871 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0444 USER MOD Single : A 40 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.313) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 144:sc= -3.25! (180deg=-4.21!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.361 X(o=-0.36,f=-0.034) USER MOD Single : A 52 ASN : amide:sc= -1.89! C(o=-1.9!,f=-2.8!) 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 40:sc= 0.585 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -152:sc= -2.41! (180deg=-4.68!) USER MOD Single : A 82 MET CE :methyl -110:sc= -0.583 (180deg=-3.57!) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 MET CE :methyl -132:sc= -3.18 (180deg=-8.78!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N ASP A 5 -14.272 7.294 -12.380 1.00 0.00 N ATOM 56 CA ASP A 5 -14.768 6.455 -11.257 1.00 0.00 C ATOM 57 C ASP A 5 -13.679 6.408 -10.151 1.00 0.00 C ATOM 58 O ASP A 5 -13.651 7.259 -9.254 1.00 0.00 O ATOM 59 CB ASP A 5 -15.192 5.038 -11.742 1.00 0.00 C ATOM 60 CG ASP A 5 -15.659 4.061 -10.650 1.00 0.00 C ATOM 61 OD1 ASP A 5 -16.391 4.486 -9.729 1.00 0.00 O ATOM 62 OD2 ASP A 5 -15.301 2.864 -10.716 1.00 0.00 O ATOM 0 HA ASP A 5 -15.670 6.900 -10.837 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.997 5.151 -12.469 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.349 4.589 -12.267 1.00 0.00 H new ATOM 67 N GLN A 6 -12.807 5.385 -10.220 1.00 0.00 N ATOM 68 CA GLN A 6 -11.739 5.154 -9.211 1.00 0.00 C ATOM 69 C GLN A 6 -10.621 6.208 -9.436 1.00 0.00 C ATOM 70 O GLN A 6 -10.026 6.715 -8.478 1.00 0.00 O ATOM 71 CB GLN A 6 -11.212 3.694 -9.309 1.00 0.00 C ATOM 72 CG GLN A 6 -10.322 3.370 -10.534 1.00 0.00 C ATOM 73 CD GLN A 6 -9.750 1.942 -10.549 1.00 0.00 C ATOM 74 OE1 GLN A 6 -9.881 1.192 -9.581 1.00 0.00 O ATOM 75 NE2 GLN A 6 -9.106 1.536 -11.633 1.00 0.00 N ATOM 0 H GLN A 6 -12.817 4.694 -10.971 1.00 0.00 H new ATOM 0 HA GLN A 6 -12.128 5.273 -8.200 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -10.644 3.473 -8.405 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -12.069 3.020 -9.320 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -10.906 3.523 -11.442 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -9.495 4.079 -10.564 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -9.002 2.164 -12.430 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.714 0.595 -11.671 1.00 0.00 H new ATOM 84 N GLN A 7 -10.330 6.501 -10.718 1.00 0.00 N ATOM 85 CA GLN A 7 -9.256 7.449 -11.116 1.00 0.00 C ATOM 86 C GLN A 7 -9.586 8.856 -10.547 1.00 0.00 C ATOM 87 O GLN A 7 -8.677 9.661 -10.303 1.00 0.00 O ATOM 88 CB GLN A 7 -9.114 7.527 -12.663 1.00 0.00 C ATOM 89 CG GLN A 7 -10.246 8.263 -13.416 1.00 0.00 C ATOM 90 CD GLN A 7 -10.508 7.671 -14.811 1.00 0.00 C ATOM 91 OE1 GLN A 7 -10.516 8.383 -15.815 1.00 0.00 O ATOM 92 NE2 GLN A 7 -10.720 6.367 -14.909 1.00 0.00 N ATOM 0 H GLN A 7 -10.827 6.092 -11.509 1.00 0.00 H new ATOM 0 HA GLN A 7 -8.309 7.092 -10.711 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.170 8.020 -12.896 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.047 6.511 -13.053 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -11.162 8.214 -12.826 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.986 9.317 -13.515 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.712 5.785 -14.072 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.892 5.945 -15.822 1.00 0.00 H new ATOM 101 N ALA A 8 -10.885 9.143 -10.346 1.00 0.00 N ATOM 102 CA ALA A 8 -11.356 10.448 -9.807 1.00 0.00 C ATOM 103 C ALA A 8 -10.507 10.859 -8.573 1.00 0.00 C ATOM 104 O ALA A 8 -9.711 11.803 -8.641 1.00 0.00 O ATOM 105 CB ALA A 8 -12.854 10.337 -9.461 1.00 0.00 C ATOM 0 H ALA A 8 -11.639 8.487 -10.549 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.232 11.229 -10.557 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.208 11.289 -9.065 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.417 10.086 -10.360 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.998 9.557 -8.713 1.00 0.00 H new ATOM 111 N GLU A 9 -10.714 10.155 -7.445 1.00 0.00 N ATOM 112 CA GLU A 9 -10.058 10.474 -6.148 1.00 0.00 C ATOM 113 C GLU A 9 -8.522 10.561 -6.359 1.00 0.00 C ATOM 114 O GLU A 9 -7.909 11.607 -6.114 1.00 0.00 O ATOM 115 CB GLU A 9 -10.429 9.440 -5.045 1.00 0.00 C ATOM 116 CG GLU A 9 -10.761 8.008 -5.525 1.00 0.00 C ATOM 117 CD GLU A 9 -12.254 7.791 -5.780 1.00 0.00 C ATOM 118 OE1 GLU A 9 -12.997 8.790 -5.911 1.00 0.00 O ATOM 119 OE2 GLU A 9 -12.695 6.623 -5.847 1.00 0.00 O ATOM 0 H GLU A 9 -11.338 9.349 -7.399 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.422 11.440 -5.797 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.599 9.380 -4.341 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.288 9.823 -4.494 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.208 7.801 -6.441 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.418 7.292 -4.778 1.00 0.00 H new ATOM 126 N ALA A 10 -7.912 9.439 -6.786 1.00 0.00 N ATOM 127 CA ALA A 10 -6.436 9.320 -6.933 1.00 0.00 C ATOM 128 C ALA A 10 -5.857 10.549 -7.686 1.00 0.00 C ATOM 129 O ALA A 10 -4.694 10.918 -7.485 1.00 0.00 O ATOM 130 CB ALA A 10 -6.113 7.999 -7.661 1.00 0.00 C ATOM 0 H ALA A 10 -8.418 8.591 -7.039 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.966 9.303 -5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.033 7.901 -7.775 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.495 7.160 -7.079 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.583 8.001 -8.645 1.00 0.00 H new ATOM 136 N ARG A 11 -6.673 11.149 -8.572 1.00 0.00 N ATOM 137 CA ARG A 11 -6.246 12.265 -9.457 1.00 0.00 C ATOM 138 C ARG A 11 -6.127 13.547 -8.586 1.00 0.00 C ATOM 139 O ARG A 11 -5.051 14.153 -8.500 1.00 0.00 O ATOM 140 CB ARG A 11 -7.257 12.461 -10.621 1.00 0.00 C ATOM 141 CG ARG A 11 -6.784 13.407 -11.750 1.00 0.00 C ATOM 142 CD ARG A 11 -6.283 12.647 -12.993 1.00 0.00 C ATOM 143 NE ARG A 11 -7.358 12.469 -14.002 1.00 0.00 N ATOM 144 CZ ARG A 11 -7.154 12.088 -15.279 1.00 0.00 C ATOM 145 NH1 ARG A 11 -6.039 12.410 -15.920 1.00 0.00 N ATOM 146 NH2 ARG A 11 -8.088 11.431 -15.954 1.00 0.00 N ATOM 0 H ARG A 11 -7.648 10.879 -8.700 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.281 12.041 -9.912 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.481 11.486 -11.055 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.189 12.849 -10.210 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.606 14.063 -12.037 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.985 14.045 -11.373 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.451 13.191 -13.441 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.901 11.671 -12.693 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.318 12.648 -13.708 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.318 12.955 -15.447 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.902 12.113 -16.886 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.977 11.207 -15.507 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.917 11.150 -16.920 1.00 0.00 H new ATOM 160 N ALA A 12 -7.254 13.958 -7.973 1.00 0.00 N ATOM 161 CA ALA A 12 -7.329 15.214 -7.179 1.00 0.00 C ATOM 162 C ALA A 12 -6.150 15.273 -6.170 1.00 0.00 C ATOM 163 O ALA A 12 -5.583 16.344 -5.923 1.00 0.00 O ATOM 164 CB ALA A 12 -8.695 15.291 -6.470 1.00 0.00 C ATOM 0 H ALA A 12 -8.132 13.440 -8.009 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.241 16.078 -7.837 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.751 16.211 -5.888 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.492 15.283 -7.214 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.809 14.434 -5.806 1.00 0.00 H new ATOM 170 N PHE A 13 -5.818 14.115 -5.570 1.00 0.00 N ATOM 171 CA PHE A 13 -4.742 14.008 -4.550 1.00 0.00 C ATOM 172 C PHE A 13 -3.362 14.246 -5.222 1.00 0.00 C ATOM 173 O PHE A 13 -2.580 15.095 -4.778 1.00 0.00 O ATOM 174 CB PHE A 13 -4.850 12.625 -3.843 1.00 0.00 C ATOM 175 CG PHE A 13 -3.928 12.442 -2.620 1.00 0.00 C ATOM 176 CD1 PHE A 13 -2.538 12.524 -2.761 1.00 0.00 C ATOM 177 CD2 PHE A 13 -4.474 12.173 -1.359 1.00 0.00 C ATOM 178 CE1 PHE A 13 -1.708 12.332 -1.659 1.00 0.00 C ATOM 179 CE2 PHE A 13 -3.642 11.983 -0.259 1.00 0.00 C ATOM 180 CZ PHE A 13 -2.260 12.059 -0.410 1.00 0.00 C ATOM 0 H PHE A 13 -6.281 13.229 -5.772 1.00 0.00 H new ATOM 0 HA PHE A 13 -4.852 14.774 -3.782 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.882 12.476 -3.526 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.624 11.844 -4.569 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.107 12.737 -3.728 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.546 12.113 -1.239 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.636 12.395 -1.773 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.069 11.777 0.711 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.615 11.906 0.443 1.00 0.00 H new ATOM 190 N LEU A 14 -3.072 13.461 -6.276 1.00 0.00 N ATOM 191 CA LEU A 14 -1.757 13.475 -6.970 1.00 0.00 C ATOM 192 C LEU A 14 -1.818 14.547 -8.092 1.00 0.00 C ATOM 193 O LEU A 14 -2.436 14.330 -9.140 1.00 0.00 O ATOM 194 CB LEU A 14 -1.409 12.064 -7.534 1.00 0.00 C ATOM 195 CG LEU A 14 -1.745 10.833 -6.643 1.00 0.00 C ATOM 196 CD1 LEU A 14 -2.099 9.602 -7.501 1.00 0.00 C ATOM 197 CD2 LEU A 14 -0.605 10.481 -5.666 1.00 0.00 C ATOM 0 H LEU A 14 -3.737 12.798 -6.675 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.962 13.730 -6.269 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.929 11.944 -8.484 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.341 12.042 -7.750 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.614 11.116 -6.049 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.329 8.759 -6.850 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.966 9.828 -8.122 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.253 9.348 -8.139 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.892 9.615 -5.069 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.299 10.250 -6.230 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.415 11.329 -5.008 1.00 0.00 H new ATOM 209 N SER A 15 -1.141 15.688 -7.863 1.00 0.00 N ATOM 210 CA SER A 15 -1.044 16.790 -8.857 1.00 0.00 C ATOM 211 C SER A 15 -0.299 16.292 -10.125 1.00 0.00 C ATOM 212 O SER A 15 -0.111 15.084 -10.314 1.00 0.00 O ATOM 213 CB SER A 15 -0.350 18.009 -8.207 1.00 0.00 C ATOM 214 OG SER A 15 -0.705 18.140 -6.834 1.00 0.00 O ATOM 0 H SER A 15 -0.646 15.878 -6.991 1.00 0.00 H new ATOM 0 HA SER A 15 -2.039 17.105 -9.171 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.731 17.904 -8.296 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.627 18.916 -8.744 1.00 0.00 H new ATOM 0 HG SER A 15 -0.249 18.918 -6.451 1.00 0.00 H new ATOM 220 N GLU A 16 0.090 17.239 -10.999 1.00 0.00 N ATOM 221 CA GLU A 16 0.784 16.930 -12.277 1.00 0.00 C ATOM 222 C GLU A 16 2.288 16.684 -11.977 1.00 0.00 C ATOM 223 O GLU A 16 2.921 15.819 -12.594 1.00 0.00 O ATOM 224 CB GLU A 16 0.534 18.063 -13.315 1.00 0.00 C ATOM 225 CG GLU A 16 0.526 17.645 -14.804 1.00 0.00 C ATOM 226 CD GLU A 16 1.921 17.445 -15.407 1.00 0.00 C ATOM 227 OE1 GLU A 16 2.872 18.131 -14.971 1.00 0.00 O ATOM 228 OE2 GLU A 16 2.071 16.601 -16.318 1.00 0.00 O ATOM 0 H GLU A 16 -0.064 18.236 -10.847 1.00 0.00 H new ATOM 0 HA GLU A 16 0.385 16.021 -12.728 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.424 18.530 -13.086 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.301 18.826 -13.179 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.038 16.718 -14.907 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.001 18.405 -15.380 1.00 0.00 H new ATOM 235 N GLU A 17 2.837 17.461 -11.021 1.00 0.00 N ATOM 236 CA GLU A 17 4.283 17.413 -10.672 1.00 0.00 C ATOM 237 C GLU A 17 4.522 16.174 -9.766 1.00 0.00 C ATOM 238 O GLU A 17 5.563 15.514 -9.861 1.00 0.00 O ATOM 239 CB GLU A 17 4.745 18.752 -10.026 1.00 0.00 C ATOM 240 CG GLU A 17 4.292 19.007 -8.569 1.00 0.00 C ATOM 241 CD GLU A 17 5.123 20.060 -7.828 1.00 0.00 C ATOM 242 OE1 GLU A 17 5.776 20.894 -8.494 1.00 0.00 O ATOM 243 OE2 GLU A 17 5.124 20.060 -6.577 1.00 0.00 O ATOM 0 H GLU A 17 2.303 18.134 -10.471 1.00 0.00 H new ATOM 0 HA GLU A 17 4.894 17.302 -11.568 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.834 18.788 -10.056 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.382 19.573 -10.645 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.249 19.322 -8.575 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.339 18.069 -8.016 1.00 0.00 H new ATOM 250 N MET A 18 3.532 15.858 -8.910 1.00 0.00 N ATOM 251 CA MET A 18 3.555 14.643 -8.054 1.00 0.00 C ATOM 252 C MET A 18 3.475 13.404 -8.987 1.00 0.00 C ATOM 253 O MET A 18 4.098 12.370 -8.718 1.00 0.00 O ATOM 254 CB MET A 18 2.410 14.664 -7.002 1.00 0.00 C ATOM 255 CG MET A 18 2.445 15.828 -5.994 1.00 0.00 C ATOM 256 SD MET A 18 3.458 15.382 -4.567 1.00 0.00 S ATOM 257 CE MET A 18 2.553 16.184 -3.227 1.00 0.00 C ATOM 0 H MET A 18 2.696 16.430 -8.788 1.00 0.00 H new ATOM 0 HA MET A 18 4.480 14.605 -7.478 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.457 14.695 -7.531 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.436 13.727 -6.446 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.848 16.721 -6.471 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.433 16.070 -5.670 1.00 0.00 H new ATOM 0 HE1 MET A 18 3.061 15.996 -2.281 1.00 0.00 H new ATOM 0 HE2 MET A 18 2.510 17.258 -3.409 1.00 0.00 H new ATOM 0 HE3 MET A 18 1.540 15.783 -3.181 1.00 0.00 H new ATOM 267 N ILE A 19 2.712 13.534 -10.089 1.00 0.00 N ATOM 268 CA ILE A 19 2.492 12.433 -11.065 1.00 0.00 C ATOM 269 C ILE A 19 3.880 12.110 -11.681 1.00 0.00 C ATOM 270 O ILE A 19 4.169 10.953 -12.009 1.00 0.00 O ATOM 271 CB ILE A 19 1.369 12.788 -12.111 1.00 0.00 C ATOM 272 CG1 ILE A 19 -0.070 12.539 -11.559 1.00 0.00 C ATOM 273 CG2 ILE A 19 1.556 12.045 -13.462 1.00 0.00 C ATOM 274 CD1 ILE A 19 -1.194 13.349 -12.226 1.00 0.00 C ATOM 0 H ILE A 19 2.230 14.399 -10.333 1.00 0.00 H new ATOM 0 HA ILE A 19 2.102 11.535 -10.585 1.00 0.00 H new ATOM 0 HB ILE A 19 1.478 13.857 -12.294 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.300 11.479 -11.665 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.072 12.761 -10.492 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.755 12.326 -14.146 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.517 12.318 -13.897 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.527 10.969 -13.292 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.148 13.096 -11.764 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.000 14.414 -12.098 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.232 13.112 -13.289 1.00 0.00 H new ATOM 286 N ALA A 20 4.717 13.149 -11.862 1.00 0.00 N ATOM 287 CA ALA A 20 6.071 13.007 -12.464 1.00 0.00 C ATOM 288 C ALA A 20 6.943 12.054 -11.603 1.00 0.00 C ATOM 289 O ALA A 20 7.762 11.294 -12.135 1.00 0.00 O ATOM 290 CB ALA A 20 6.708 14.404 -12.601 1.00 0.00 C ATOM 0 H ALA A 20 4.483 14.107 -11.600 1.00 0.00 H new ATOM 0 HA ALA A 20 5.996 12.564 -13.457 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.701 14.310 -13.041 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.084 15.027 -13.242 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.790 14.865 -11.617 1.00 0.00 H new ATOM 296 N GLU A 21 6.774 12.131 -10.270 1.00 0.00 N ATOM 297 CA GLU A 21 7.584 11.344 -9.302 1.00 0.00 C ATOM 298 C GLU A 21 7.387 9.835 -9.613 1.00 0.00 C ATOM 299 O GLU A 21 8.319 9.033 -9.489 1.00 0.00 O ATOM 300 CB GLU A 21 7.209 11.735 -7.844 1.00 0.00 C ATOM 301 CG GLU A 21 8.132 11.198 -6.724 1.00 0.00 C ATOM 302 CD GLU A 21 7.428 10.979 -5.382 1.00 0.00 C ATOM 303 OE1 GLU A 21 6.905 9.867 -5.147 1.00 0.00 O ATOM 304 OE2 GLU A 21 7.390 11.919 -4.557 1.00 0.00 O ATOM 0 H GLU A 21 6.079 12.734 -9.829 1.00 0.00 H new ATOM 0 HA GLU A 21 8.646 11.566 -9.403 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.189 12.823 -7.777 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.196 11.385 -7.647 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.570 10.254 -7.050 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.955 11.898 -6.580 1.00 0.00 H new ATOM 311 N PHE A 22 6.149 9.465 -9.990 1.00 0.00 N ATOM 312 CA PHE A 22 5.756 8.052 -10.236 1.00 0.00 C ATOM 313 C PHE A 22 6.141 7.663 -11.690 1.00 0.00 C ATOM 314 O PHE A 22 6.327 6.475 -11.986 1.00 0.00 O ATOM 315 CB PHE A 22 4.234 7.854 -9.959 1.00 0.00 C ATOM 316 CG PHE A 22 3.825 7.913 -8.473 1.00 0.00 C ATOM 317 CD1 PHE A 22 3.910 6.769 -7.671 1.00 0.00 C ATOM 318 CD2 PHE A 22 3.388 9.116 -7.905 1.00 0.00 C ATOM 319 CE1 PHE A 22 3.616 6.840 -6.312 1.00 0.00 C ATOM 320 CE2 PHE A 22 3.095 9.184 -6.545 1.00 0.00 C ATOM 321 CZ PHE A 22 3.203 8.046 -5.751 1.00 0.00 C ATOM 0 H PHE A 22 5.390 10.130 -10.134 1.00 0.00 H new ATOM 0 HA PHE A 22 6.290 7.392 -9.553 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.679 8.619 -10.503 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.929 6.890 -10.365 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.205 5.827 -8.108 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.278 9.994 -8.524 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.708 5.960 -5.693 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.784 10.121 -6.106 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.966 8.098 -4.699 1.00 0.00 H new ATOM 331 N LYS A 23 6.226 8.660 -12.589 1.00 0.00 N ATOM 332 CA LYS A 23 6.537 8.448 -14.029 1.00 0.00 C ATOM 333 C LYS A 23 7.846 7.618 -14.128 1.00 0.00 C ATOM 334 O LYS A 23 7.883 6.573 -14.791 1.00 0.00 O ATOM 335 CB LYS A 23 6.679 9.803 -14.784 1.00 0.00 C ATOM 336 CG LYS A 23 5.456 10.291 -15.595 1.00 0.00 C ATOM 337 CD LYS A 23 5.761 10.681 -17.057 1.00 0.00 C ATOM 338 CE LYS A 23 4.486 10.867 -17.900 1.00 0.00 C ATOM 339 NZ LYS A 23 3.607 11.903 -17.329 1.00 0.00 N ATOM 0 H LYS A 23 6.082 9.640 -12.345 1.00 0.00 H new ATOM 0 HA LYS A 23 5.717 7.908 -14.503 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.929 10.572 -14.053 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.526 9.723 -15.465 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.700 9.506 -15.594 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.022 11.152 -15.087 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.338 11.606 -17.069 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.384 9.911 -17.512 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.759 11.141 -18.919 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.946 9.922 -17.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.800 12.063 -17.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.259 11.590 -16.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.141 12.789 -17.218 1.00 0.00 H new ATOM 353 N ALA A 24 8.922 8.114 -13.489 1.00 0.00 N ATOM 354 CA ALA A 24 10.276 7.506 -13.577 1.00 0.00 C ATOM 355 C ALA A 24 10.192 5.971 -13.354 1.00 0.00 C ATOM 356 O ALA A 24 10.462 5.179 -14.265 1.00 0.00 O ATOM 357 CB ALA A 24 11.200 8.185 -12.548 1.00 0.00 C ATOM 0 H ALA A 24 8.885 8.944 -12.898 1.00 0.00 H new ATOM 0 HA ALA A 24 10.693 7.664 -14.572 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.195 7.744 -12.606 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.262 9.252 -12.763 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.797 8.040 -11.546 1.00 0.00 H new ATOM 363 N ALA A 25 9.842 5.569 -12.118 1.00 0.00 N ATOM 364 CA ALA A 25 9.796 4.140 -11.707 1.00 0.00 C ATOM 365 C ALA A 25 8.796 3.342 -12.589 1.00 0.00 C ATOM 366 O ALA A 25 8.949 2.127 -12.766 1.00 0.00 O ATOM 367 CB ALA A 25 9.426 4.063 -10.212 1.00 0.00 C ATOM 0 H ALA A 25 9.583 6.217 -11.374 1.00 0.00 H new ATOM 0 HA ALA A 25 10.775 3.684 -11.851 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.389 3.019 -9.900 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.176 4.592 -9.624 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.451 4.523 -10.054 1.00 0.00 H new ATOM 373 N PHE A 26 7.776 4.038 -13.129 1.00 0.00 N ATOM 374 CA PHE A 26 6.676 3.394 -13.899 1.00 0.00 C ATOM 375 C PHE A 26 7.285 2.775 -15.186 1.00 0.00 C ATOM 376 O PHE A 26 6.846 1.713 -15.644 1.00 0.00 O ATOM 377 CB PHE A 26 5.536 4.407 -14.220 1.00 0.00 C ATOM 378 CG PHE A 26 4.531 3.937 -15.297 1.00 0.00 C ATOM 379 CD1 PHE A 26 4.826 4.093 -16.656 1.00 0.00 C ATOM 380 CD2 PHE A 26 3.306 3.373 -14.922 1.00 0.00 C ATOM 381 CE1 PHE A 26 3.900 3.712 -17.625 1.00 0.00 C ATOM 382 CE2 PHE A 26 2.382 2.993 -15.893 1.00 0.00 C ATOM 383 CZ PHE A 26 2.689 3.141 -17.243 1.00 0.00 C ATOM 0 H PHE A 26 7.685 5.051 -13.049 1.00 0.00 H new ATOM 0 HA PHE A 26 6.216 2.606 -13.302 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.989 4.619 -13.301 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.985 5.345 -14.547 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.776 4.511 -16.955 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.076 3.232 -13.876 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.122 3.860 -18.672 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.427 2.583 -15.598 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.987 2.812 -17.995 1.00 0.00 H new ATOM 393 N ASP A 27 8.280 3.467 -15.771 1.00 0.00 N ATOM 394 CA ASP A 27 9.019 2.973 -16.963 1.00 0.00 C ATOM 395 C ASP A 27 9.807 1.694 -16.565 1.00 0.00 C ATOM 396 O ASP A 27 9.922 0.755 -17.362 1.00 0.00 O ATOM 397 CB ASP A 27 9.933 4.076 -17.571 1.00 0.00 C ATOM 398 CG ASP A 27 10.195 3.978 -19.084 1.00 0.00 C ATOM 399 OD1 ASP A 27 9.618 3.083 -19.741 1.00 0.00 O ATOM 400 OD2 ASP A 27 10.973 4.799 -19.619 1.00 0.00 O ATOM 0 H ASP A 27 8.598 4.378 -15.439 1.00 0.00 H new ATOM 0 HA ASP A 27 8.312 2.715 -17.752 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.484 5.047 -17.362 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.892 4.050 -17.054 1.00 0.00 H new ATOM 405 N MET A 28 10.322 1.670 -15.319 1.00 0.00 N ATOM 406 CA MET A 28 11.158 0.546 -14.814 1.00 0.00 C ATOM 407 C MET A 28 10.291 -0.742 -14.860 1.00 0.00 C ATOM 408 O MET A 28 10.783 -1.823 -15.206 1.00 0.00 O ATOM 409 CB MET A 28 11.714 0.828 -13.389 1.00 0.00 C ATOM 410 CG MET A 28 12.953 0.011 -12.978 1.00 0.00 C ATOM 411 SD MET A 28 13.199 0.114 -11.191 1.00 0.00 S ATOM 412 CE MET A 28 13.180 1.900 -10.934 1.00 0.00 C ATOM 0 H MET A 28 10.177 2.415 -14.638 1.00 0.00 H new ATOM 0 HA MET A 28 12.038 0.423 -15.446 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.961 1.887 -13.319 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.921 0.638 -12.666 1.00 0.00 H new ATOM 0 HG2 MET A 28 12.827 -1.030 -13.276 1.00 0.00 H new ATOM 0 HG3 MET A 28 13.835 0.387 -13.497 1.00 0.00 H new ATOM 0 HE1 MET A 28 13.767 2.147 -10.049 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.609 2.397 -11.804 1.00 0.00 H new ATOM 0 HE3 MET A 28 12.153 2.236 -10.793 1.00 0.00 H new ATOM 422 N PHE A 29 8.999 -0.604 -14.509 1.00 0.00 N ATOM 423 CA PHE A 29 8.044 -1.744 -14.464 1.00 0.00 C ATOM 424 C PHE A 29 7.726 -2.178 -15.920 1.00 0.00 C ATOM 425 O PHE A 29 7.553 -3.370 -16.200 1.00 0.00 O ATOM 426 CB PHE A 29 6.759 -1.355 -13.675 1.00 0.00 C ATOM 427 CG PHE A 29 6.876 -1.445 -12.140 1.00 0.00 C ATOM 428 CD1 PHE A 29 7.368 -0.359 -11.405 1.00 0.00 C ATOM 429 CD2 PHE A 29 6.481 -2.606 -11.465 1.00 0.00 C ATOM 430 CE1 PHE A 29 7.457 -0.434 -10.016 1.00 0.00 C ATOM 431 CE2 PHE A 29 6.571 -2.677 -10.077 1.00 0.00 C ATOM 432 CZ PHE A 29 7.052 -1.589 -9.354 1.00 0.00 C ATOM 0 H PHE A 29 8.583 0.290 -14.249 1.00 0.00 H new ATOM 0 HA PHE A 29 8.488 -2.587 -13.935 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.483 -0.335 -13.943 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.944 -2.002 -13.999 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.680 0.540 -11.916 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.105 -3.451 -12.023 1.00 0.00 H new ATOM 0 HE1 PHE A 29 7.840 0.404 -9.453 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.268 -3.576 -9.562 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.111 -1.641 -8.277 1.00 0.00 H new ATOM 442 N ASP A 30 7.674 -1.196 -16.839 1.00 0.00 N ATOM 443 CA ASP A 30 7.397 -1.443 -18.279 1.00 0.00 C ATOM 444 C ASP A 30 8.459 -2.436 -18.827 1.00 0.00 C ATOM 445 O ASP A 30 8.214 -3.646 -18.887 1.00 0.00 O ATOM 446 CB ASP A 30 7.342 -0.116 -19.090 1.00 0.00 C ATOM 447 CG ASP A 30 7.072 -0.255 -20.598 1.00 0.00 C ATOM 448 OD1 ASP A 30 6.379 -1.214 -21.004 1.00 0.00 O ATOM 449 OD2 ASP A 30 7.548 0.599 -21.378 1.00 0.00 O ATOM 0 H ASP A 30 7.821 -0.212 -16.613 1.00 0.00 H new ATOM 0 HA ASP A 30 6.410 -1.892 -18.391 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.566 0.517 -18.660 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.290 0.406 -18.958 1.00 0.00 H new ATOM 454 N ALA A 31 9.615 -1.904 -19.262 1.00 0.00 N ATOM 455 CA ALA A 31 10.758 -2.687 -19.810 1.00 0.00 C ATOM 456 C ALA A 31 10.602 -2.911 -21.340 1.00 0.00 C ATOM 457 O ALA A 31 11.609 -3.051 -22.052 1.00 0.00 O ATOM 458 CB ALA A 31 10.885 -4.024 -19.050 1.00 0.00 C ATOM 0 H ALA A 31 9.793 -0.900 -19.246 1.00 0.00 H new ATOM 0 HA ALA A 31 11.677 -2.119 -19.665 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.722 -4.594 -19.454 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.057 -3.826 -17.992 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.966 -4.598 -19.167 1.00 0.00 H new ATOM 464 N ASP A 32 9.350 -2.945 -21.832 1.00 0.00 N ATOM 465 CA ASP A 32 9.040 -3.221 -23.261 1.00 0.00 C ATOM 466 C ASP A 32 9.138 -1.891 -24.056 1.00 0.00 C ATOM 467 O ASP A 32 9.931 -1.773 -24.999 1.00 0.00 O ATOM 468 CB ASP A 32 7.658 -3.919 -23.432 1.00 0.00 C ATOM 469 CG ASP A 32 6.484 -3.007 -23.827 1.00 0.00 C ATOM 470 OD1 ASP A 32 6.525 -2.413 -24.928 1.00 0.00 O ATOM 471 OD2 ASP A 32 5.522 -2.881 -23.038 1.00 0.00 O ATOM 0 H ASP A 32 8.522 -2.783 -21.258 1.00 0.00 H new ATOM 0 HA ASP A 32 9.769 -3.925 -23.662 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.758 -4.697 -24.189 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.406 -4.416 -22.495 1.00 0.00 H new ATOM 476 N GLY A 33 8.344 -0.885 -23.643 1.00 0.00 N ATOM 477 CA GLY A 33 8.399 0.480 -24.229 1.00 0.00 C ATOM 478 C GLY A 33 7.077 0.846 -24.954 1.00 0.00 C ATOM 479 O GLY A 33 7.080 1.246 -26.125 1.00 0.00 O ATOM 0 H GLY A 33 7.651 -0.987 -22.902 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.595 1.207 -23.441 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.229 0.541 -24.933 1.00 0.00 H new ATOM 483 N GLY A 34 5.947 0.730 -24.229 1.00 0.00 N ATOM 484 CA GLY A 34 4.615 1.129 -24.748 1.00 0.00 C ATOM 485 C GLY A 34 3.997 2.238 -23.860 1.00 0.00 C ATOM 486 O GLY A 34 3.970 3.415 -24.238 1.00 0.00 O ATOM 0 H GLY A 34 5.926 0.362 -23.278 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.710 1.486 -25.773 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.953 0.263 -24.772 1.00 0.00 H new ATOM 490 N GLY A 35 3.472 1.837 -22.685 1.00 0.00 N ATOM 491 CA GLY A 35 2.749 2.758 -21.772 1.00 0.00 C ATOM 492 C GLY A 35 1.737 1.968 -20.901 1.00 0.00 C ATOM 493 O GLY A 35 0.597 2.405 -20.702 1.00 0.00 O ATOM 0 H GLY A 35 3.533 0.879 -22.341 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.461 3.279 -21.132 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.225 3.518 -22.351 1.00 0.00 H new ATOM 497 N ASP A 36 2.177 0.803 -20.388 1.00 0.00 N ATOM 498 CA ASP A 36 1.383 -0.028 -19.445 1.00 0.00 C ATOM 499 C ASP A 36 2.299 -1.144 -18.872 1.00 0.00 C ATOM 500 O ASP A 36 3.519 -1.129 -19.081 1.00 0.00 O ATOM 501 CB ASP A 36 0.098 -0.593 -20.119 1.00 0.00 C ATOM 502 CG ASP A 36 0.252 -1.073 -21.572 1.00 0.00 C ATOM 503 OD1 ASP A 36 0.714 -2.216 -21.786 1.00 0.00 O ATOM 504 OD2 ASP A 36 -0.095 -0.312 -22.502 1.00 0.00 O ATOM 0 H ASP A 36 3.090 0.407 -20.611 1.00 0.00 H new ATOM 0 HA ASP A 36 1.030 0.590 -18.619 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.266 -1.427 -19.519 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.671 0.179 -20.092 1.00 0.00 H new ATOM 509 N ILE A 37 1.692 -2.100 -18.145 1.00 0.00 N ATOM 510 CA ILE A 37 2.412 -3.254 -17.537 1.00 0.00 C ATOM 511 C ILE A 37 1.536 -4.528 -17.671 1.00 0.00 C ATOM 512 O ILE A 37 0.449 -4.606 -17.078 1.00 0.00 O ATOM 513 CB ILE A 37 2.890 -2.999 -16.058 1.00 0.00 C ATOM 514 CG1 ILE A 37 2.302 -1.723 -15.377 1.00 0.00 C ATOM 515 CG2 ILE A 37 4.436 -3.041 -15.950 1.00 0.00 C ATOM 516 CD1 ILE A 37 3.331 -0.734 -14.805 1.00 0.00 C ATOM 0 H ILE A 37 0.689 -2.102 -17.958 1.00 0.00 H new ATOM 0 HA ILE A 37 3.340 -3.398 -18.091 1.00 0.00 H new ATOM 0 HB ILE A 37 2.472 -3.828 -15.487 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.687 -1.196 -16.106 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.641 -2.037 -14.570 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.734 -2.861 -14.917 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.796 -4.020 -16.267 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.867 -2.271 -16.591 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.811 0.113 -14.357 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.933 -1.234 -14.046 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.979 -0.379 -15.606 1.00 0.00 H new ATOM 528 N SER A 38 2.021 -5.534 -18.423 1.00 0.00 N ATOM 529 CA SER A 38 1.345 -6.852 -18.548 1.00 0.00 C ATOM 530 C SER A 38 1.777 -7.776 -17.376 1.00 0.00 C ATOM 531 O SER A 38 2.425 -7.326 -16.424 1.00 0.00 O ATOM 532 CB SER A 38 1.661 -7.465 -19.931 1.00 0.00 C ATOM 533 OG SER A 38 2.907 -8.154 -19.924 1.00 0.00 O ATOM 0 H SER A 38 2.886 -5.464 -18.960 1.00 0.00 H new ATOM 0 HA SER A 38 0.264 -6.731 -18.483 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.865 -8.153 -20.216 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.684 -6.676 -20.683 1.00 0.00 H new ATOM 0 HG SER A 38 3.077 -8.532 -20.812 1.00 0.00 H new ATOM 539 N THR A 39 1.433 -9.073 -17.485 1.00 0.00 N ATOM 540 CA THR A 39 1.762 -10.098 -16.460 1.00 0.00 C ATOM 541 C THR A 39 3.206 -10.613 -16.706 1.00 0.00 C ATOM 542 O THR A 39 3.918 -10.972 -15.758 1.00 0.00 O ATOM 543 CB THR A 39 0.709 -11.251 -16.425 1.00 0.00 C ATOM 544 OG1 THR A 39 0.062 -11.380 -17.690 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.381 -11.112 -15.346 1.00 0.00 C ATOM 0 H THR A 39 0.919 -9.446 -18.283 1.00 0.00 H new ATOM 0 HA THR A 39 1.721 -9.642 -15.471 1.00 0.00 H new ATOM 0 HB THR A 39 1.293 -12.136 -16.175 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.593 -12.108 -17.650 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.062 -11.961 -15.405 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.084 -11.087 -14.360 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.938 -10.189 -15.508 1.00 0.00 H new ATOM 553 N LYS A 40 3.626 -10.652 -17.984 1.00 0.00 N ATOM 554 CA LYS A 40 4.980 -11.127 -18.378 1.00 0.00 C ATOM 555 C LYS A 40 6.016 -10.019 -18.043 1.00 0.00 C ATOM 556 O LYS A 40 7.150 -10.315 -17.645 1.00 0.00 O ATOM 557 CB LYS A 40 4.964 -11.535 -19.881 1.00 0.00 C ATOM 558 CG LYS A 40 5.852 -12.741 -20.282 1.00 0.00 C ATOM 559 CD LYS A 40 5.484 -13.548 -21.551 1.00 0.00 C ATOM 560 CE LYS A 40 4.384 -14.621 -21.399 1.00 0.00 C ATOM 561 NZ LYS A 40 3.022 -14.067 -21.303 1.00 0.00 N ATOM 0 H LYS A 40 3.048 -10.360 -18.772 1.00 0.00 H new ATOM 0 HA LYS A 40 5.272 -12.016 -17.819 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.935 -11.761 -20.162 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.273 -10.673 -20.472 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.870 -12.374 -20.408 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.865 -13.435 -19.442 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.168 -12.844 -22.321 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.387 -14.037 -21.917 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.431 -15.299 -22.251 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.589 -15.214 -20.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.327 -14.825 -21.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.880 -13.655 -20.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.896 -13.329 -22.025 1.00 0.00 H new ATOM 575 N GLU A 41 5.611 -8.747 -18.214 1.00 0.00 N ATOM 576 CA GLU A 41 6.512 -7.576 -18.049 1.00 0.00 C ATOM 577 C GLU A 41 6.822 -7.378 -16.540 1.00 0.00 C ATOM 578 O GLU A 41 7.990 -7.374 -16.131 1.00 0.00 O ATOM 579 CB GLU A 41 5.906 -6.303 -18.708 1.00 0.00 C ATOM 580 CG GLU A 41 5.540 -6.374 -20.211 1.00 0.00 C ATOM 581 CD GLU A 41 4.808 -5.136 -20.739 1.00 0.00 C ATOM 582 OE1 GLU A 41 4.991 -4.037 -20.171 1.00 0.00 O ATOM 583 OE2 GLU A 41 4.044 -5.258 -21.722 1.00 0.00 O ATOM 0 H GLU A 41 4.656 -8.496 -18.469 1.00 0.00 H new ATOM 0 HA GLU A 41 7.453 -7.763 -18.566 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.005 -6.036 -18.156 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.615 -5.486 -18.574 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.453 -6.516 -20.789 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.915 -7.251 -20.380 1.00 0.00 H new ATOM 590 N LEU A 42 5.763 -7.184 -15.732 1.00 0.00 N ATOM 591 CA LEU A 42 5.887 -6.868 -14.284 1.00 0.00 C ATOM 592 C LEU A 42 6.851 -7.901 -13.640 1.00 0.00 C ATOM 593 O LEU A 42 7.656 -7.557 -12.766 1.00 0.00 O ATOM 594 CB LEU A 42 4.489 -6.873 -13.595 1.00 0.00 C ATOM 595 CG LEU A 42 4.309 -5.982 -12.331 1.00 0.00 C ATOM 596 CD1 LEU A 42 2.945 -5.264 -12.342 1.00 0.00 C ATOM 597 CD2 LEU A 42 4.473 -6.777 -11.019 1.00 0.00 C ATOM 0 H LEU A 42 4.798 -7.240 -16.057 1.00 0.00 H new ATOM 0 HA LEU A 42 6.296 -5.866 -14.151 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.749 -6.564 -14.333 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.254 -7.901 -13.319 1.00 0.00 H new ATOM 0 HG LEU A 42 5.104 -5.237 -12.369 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.850 -4.650 -11.446 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.875 -4.630 -13.226 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.145 -6.004 -12.361 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.338 -6.108 -10.169 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.727 -7.571 -10.979 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.471 -7.215 -10.981 1.00 0.00 H new ATOM 609 N GLY A 43 6.735 -9.174 -14.063 1.00 0.00 N ATOM 610 CA GLY A 43 7.502 -10.297 -13.470 1.00 0.00 C ATOM 611 C GLY A 43 9.007 -9.935 -13.368 1.00 0.00 C ATOM 612 O GLY A 43 9.627 -10.105 -12.310 1.00 0.00 O ATOM 0 H GLY A 43 6.113 -9.457 -14.820 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.110 -10.530 -12.480 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.378 -11.192 -14.080 1.00 0.00 H new ATOM 616 N THR A 44 9.578 -9.443 -14.483 1.00 0.00 N ATOM 617 CA THR A 44 11.031 -9.151 -14.593 1.00 0.00 C ATOM 618 C THR A 44 11.460 -8.265 -13.390 1.00 0.00 C ATOM 619 O THR A 44 12.452 -8.560 -12.713 1.00 0.00 O ATOM 620 CB THR A 44 11.397 -8.513 -15.970 1.00 0.00 C ATOM 621 OG1 THR A 44 11.246 -9.464 -17.021 1.00 0.00 O ATOM 622 CG2 THR A 44 12.817 -7.923 -16.063 1.00 0.00 C ATOM 0 H THR A 44 9.053 -9.235 -15.333 1.00 0.00 H new ATOM 0 HA THR A 44 11.590 -10.086 -14.552 1.00 0.00 H new ATOM 0 HB THR A 44 10.699 -7.682 -16.071 1.00 0.00 H new ATOM 0 HG1 THR A 44 11.478 -9.046 -17.876 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.973 -7.505 -17.057 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.934 -7.137 -15.317 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.550 -8.709 -15.881 1.00 0.00 H new ATOM 630 N VAL A 45 10.714 -7.168 -13.162 1.00 0.00 N ATOM 631 CA VAL A 45 11.045 -6.151 -12.128 1.00 0.00 C ATOM 632 C VAL A 45 11.107 -6.880 -10.758 1.00 0.00 C ATOM 633 O VAL A 45 11.996 -6.606 -9.940 1.00 0.00 O ATOM 634 CB VAL A 45 10.048 -4.938 -12.155 1.00 0.00 C ATOM 635 CG1 VAL A 45 9.465 -4.564 -10.770 1.00 0.00 C ATOM 636 CG2 VAL A 45 10.672 -3.663 -12.773 1.00 0.00 C ATOM 0 H VAL A 45 9.864 -6.955 -13.685 1.00 0.00 H new ATOM 0 HA VAL A 45 12.016 -5.699 -12.330 1.00 0.00 H new ATOM 0 HB VAL A 45 9.235 -5.298 -12.785 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.787 -3.717 -10.877 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.921 -5.416 -10.362 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.277 -4.295 -10.094 1.00 0.00 H new ATOM 0 HG21 VAL A 45 9.937 -2.858 -12.765 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.543 -3.365 -12.190 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.975 -3.867 -13.800 1.00 0.00 H new ATOM 646 N MET A 46 10.140 -7.782 -10.508 1.00 0.00 N ATOM 647 CA MET A 46 9.995 -8.480 -9.203 1.00 0.00 C ATOM 648 C MET A 46 11.371 -9.102 -8.838 1.00 0.00 C ATOM 649 O MET A 46 11.766 -9.117 -7.667 1.00 0.00 O ATOM 650 CB MET A 46 8.862 -9.543 -9.250 1.00 0.00 C ATOM 651 CG MET A 46 7.431 -8.993 -9.403 1.00 0.00 C ATOM 652 SD MET A 46 6.767 -8.535 -7.786 1.00 0.00 S ATOM 653 CE MET A 46 6.859 -10.109 -6.907 1.00 0.00 C ATOM 0 H MET A 46 9.437 -8.051 -11.196 1.00 0.00 H new ATOM 0 HA MET A 46 9.702 -7.772 -8.428 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.061 -10.221 -10.080 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.907 -10.135 -8.336 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.435 -8.125 -10.062 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.792 -9.744 -9.868 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.114 -9.928 -5.863 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.895 -10.614 -6.963 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.624 -10.737 -7.364 1.00 0.00 H new ATOM 663 N ARG A 47 12.085 -9.611 -9.859 1.00 0.00 N ATOM 664 CA ARG A 47 13.369 -10.338 -9.673 1.00 0.00 C ATOM 665 C ARG A 47 14.418 -9.366 -9.066 1.00 0.00 C ATOM 666 O ARG A 47 15.165 -9.738 -8.154 1.00 0.00 O ATOM 667 CB ARG A 47 13.863 -10.928 -11.023 1.00 0.00 C ATOM 668 CG ARG A 47 15.251 -11.608 -10.966 1.00 0.00 C ATOM 669 CD ARG A 47 16.366 -10.768 -11.619 1.00 0.00 C ATOM 670 NE ARG A 47 16.036 -10.392 -13.018 1.00 0.00 N ATOM 671 CZ ARG A 47 16.900 -9.835 -13.894 1.00 0.00 C ATOM 672 NH1 ARG A 47 18.168 -9.541 -13.607 1.00 0.00 N ATOM 673 NH2 ARG A 47 16.462 -9.565 -15.109 1.00 0.00 N ATOM 0 H ARG A 47 11.796 -9.534 -10.834 1.00 0.00 H new ATOM 0 HA ARG A 47 13.222 -11.173 -8.988 1.00 0.00 H new ATOM 0 HB2 ARG A 47 13.132 -11.656 -11.374 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.896 -10.128 -11.762 1.00 0.00 H new ATOM 0 HG2 ARG A 47 15.512 -11.800 -9.925 1.00 0.00 H new ATOM 0 HG3 ARG A 47 15.195 -12.576 -11.464 1.00 0.00 H new ATOM 0 HD2 ARG A 47 16.531 -9.865 -11.031 1.00 0.00 H new ATOM 0 HD3 ARG A 47 17.299 -11.332 -11.606 1.00 0.00 H new ATOM 0 HE ARG A 47 15.085 -10.568 -13.341 1.00 0.00 H new ATOM 0 HH11 ARG A 47 18.539 -9.737 -12.677 1.00 0.00 H new ATOM 0 HH12 ARG A 47 18.767 -9.121 -14.317 1.00 0.00 H new ATOM 0 HH21 ARG A 47 15.497 -9.777 -15.362 1.00 0.00 H new ATOM 0 HH22 ARG A 47 17.088 -9.144 -15.795 1.00 0.00 H new ATOM 687 N MET A 48 14.475 -8.135 -9.612 1.00 0.00 N ATOM 688 CA MET A 48 15.494 -7.124 -9.222 1.00 0.00 C ATOM 689 C MET A 48 15.482 -7.010 -7.673 1.00 0.00 C ATOM 690 O MET A 48 16.533 -6.832 -7.046 1.00 0.00 O ATOM 691 CB MET A 48 15.245 -5.753 -9.912 1.00 0.00 C ATOM 692 CG MET A 48 16.117 -5.454 -11.146 1.00 0.00 C ATOM 693 SD MET A 48 16.575 -3.707 -11.173 1.00 0.00 S ATOM 694 CE MET A 48 15.383 -3.047 -12.356 1.00 0.00 C ATOM 0 H MET A 48 13.826 -7.810 -10.329 1.00 0.00 H new ATOM 0 HA MET A 48 16.480 -7.443 -9.559 1.00 0.00 H new ATOM 0 HB2 MET A 48 14.198 -5.703 -10.210 1.00 0.00 H new ATOM 0 HB3 MET A 48 15.406 -4.964 -9.178 1.00 0.00 H new ATOM 0 HG2 MET A 48 17.014 -6.073 -11.126 1.00 0.00 H new ATOM 0 HG3 MET A 48 15.574 -5.710 -12.056 1.00 0.00 H new ATOM 0 HE1 MET A 48 15.544 -1.976 -12.476 1.00 0.00 H new ATOM 0 HE2 MET A 48 15.512 -3.543 -13.318 1.00 0.00 H new ATOM 0 HE3 MET A 48 14.371 -3.223 -11.990 1.00 0.00 H new ATOM 704 N LEU A 49 14.285 -7.145 -7.071 1.00 0.00 N ATOM 705 CA LEU A 49 14.092 -6.996 -5.604 1.00 0.00 C ATOM 706 C LEU A 49 14.936 -8.090 -4.896 1.00 0.00 C ATOM 707 O LEU A 49 16.001 -7.811 -4.333 1.00 0.00 O ATOM 708 CB LEU A 49 12.582 -7.094 -5.228 1.00 0.00 C ATOM 709 CG LEU A 49 11.662 -5.911 -5.650 1.00 0.00 C ATOM 710 CD1 LEU A 49 10.802 -5.386 -4.482 1.00 0.00 C ATOM 711 CD2 LEU A 49 12.481 -4.756 -6.259 1.00 0.00 C ATOM 0 H LEU A 49 13.426 -7.359 -7.578 1.00 0.00 H new ATOM 0 HA LEU A 49 14.427 -6.012 -5.276 1.00 0.00 H new ATOM 0 HB2 LEU A 49 12.183 -8.006 -5.671 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.511 -7.207 -4.146 1.00 0.00 H new ATOM 0 HG LEU A 49 10.986 -6.306 -6.408 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.179 -4.562 -4.830 1.00 0.00 H new ATOM 0 HD12 LEU A 49 10.166 -6.189 -4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 49 11.452 -5.036 -3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 49 11.811 -3.945 -6.544 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.199 -4.392 -5.524 1.00 0.00 H new ATOM 0 HD23 LEU A 49 13.014 -5.113 -7.141 1.00 0.00 H new ATOM 723 N GLY A 50 14.455 -9.349 -4.956 1.00 0.00 N ATOM 724 CA GLY A 50 15.140 -10.501 -4.320 1.00 0.00 C ATOM 725 C GLY A 50 14.715 -11.826 -5.006 1.00 0.00 C ATOM 726 O GLY A 50 15.475 -12.398 -5.798 1.00 0.00 O ATOM 0 H GLY A 50 13.592 -9.597 -5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.220 -10.376 -4.393 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.895 -10.538 -3.259 1.00 0.00 H new ATOM 730 N GLN A 51 13.495 -12.297 -4.688 1.00 0.00 N ATOM 731 CA GLN A 51 12.907 -13.525 -5.287 1.00 0.00 C ATOM 732 C GLN A 51 12.356 -13.163 -6.693 1.00 0.00 C ATOM 733 O GLN A 51 12.235 -11.981 -7.039 1.00 0.00 O ATOM 734 CB GLN A 51 11.812 -14.111 -4.350 1.00 0.00 C ATOM 735 CG GLN A 51 12.054 -15.550 -3.832 1.00 0.00 C ATOM 736 CD GLN A 51 12.137 -15.671 -2.300 1.00 0.00 C ATOM 737 OE1 GLN A 51 12.942 -16.431 -1.762 1.00 0.00 O ATOM 738 NE2 GLN A 51 11.313 -14.936 -1.569 1.00 0.00 N ATOM 0 H GLN A 51 12.884 -11.842 -4.010 1.00 0.00 H new ATOM 0 HA GLN A 51 13.663 -14.302 -5.400 1.00 0.00 H new ATOM 0 HB2 GLN A 51 11.708 -13.450 -3.489 1.00 0.00 H new ATOM 0 HB3 GLN A 51 10.861 -14.094 -4.882 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.250 -16.192 -4.192 1.00 0.00 H new ATOM 0 HG3 GLN A 51 12.981 -15.927 -4.264 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.649 -14.309 -2.024 1.00 0.00 H new ATOM 0 HE22 GLN A 51 11.342 -14.997 -0.551 1.00 0.00 H new ATOM 747 N ASN A 52 11.999 -14.195 -7.482 1.00 0.00 N ATOM 748 CA ASN A 52 11.442 -14.015 -8.848 1.00 0.00 C ATOM 749 C ASN A 52 10.236 -14.995 -9.092 1.00 0.00 C ATOM 750 O ASN A 52 10.474 -16.113 -9.562 1.00 0.00 O ATOM 751 CB ASN A 52 12.584 -14.213 -9.883 1.00 0.00 C ATOM 752 CG ASN A 52 12.201 -13.886 -11.342 1.00 0.00 C ATOM 753 OD1 ASN A 52 11.088 -13.443 -11.626 1.00 0.00 O ATOM 754 ND2 ASN A 52 13.102 -14.100 -12.290 1.00 0.00 N ATOM 0 H ASN A 52 12.085 -15.171 -7.199 1.00 0.00 H new ATOM 0 HA ASN A 52 11.045 -13.006 -8.961 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.428 -13.587 -9.595 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.923 -15.248 -9.835 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.876 -13.897 -13.264 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.022 -14.467 -12.046 1.00 0.00 H new ATOM 761 N PRO A 53 8.946 -14.632 -8.801 1.00 0.00 N ATOM 762 CA PRO A 53 7.767 -15.476 -9.120 1.00 0.00 C ATOM 763 C PRO A 53 7.811 -16.008 -10.581 1.00 0.00 C ATOM 764 O PRO A 53 8.600 -15.528 -11.403 1.00 0.00 O ATOM 765 CB PRO A 53 6.589 -14.522 -8.841 1.00 0.00 C ATOM 766 CG PRO A 53 7.095 -13.453 -7.870 1.00 0.00 C ATOM 767 CD PRO A 53 8.592 -13.350 -8.140 1.00 0.00 C ATOM 0 HA PRO A 53 7.704 -16.391 -8.532 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.236 -14.066 -9.766 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.747 -15.065 -8.411 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.597 -12.498 -8.040 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.899 -13.735 -6.836 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.821 -12.498 -8.780 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.153 -13.213 -7.215 1.00 0.00 H new ATOM 775 N THR A 54 6.932 -16.980 -10.889 1.00 0.00 N ATOM 776 CA THR A 54 6.839 -17.592 -12.241 1.00 0.00 C ATOM 777 C THR A 54 5.736 -16.853 -13.049 1.00 0.00 C ATOM 778 O THR A 54 5.002 -16.018 -12.506 1.00 0.00 O ATOM 779 CB THR A 54 6.605 -19.134 -12.174 1.00 0.00 C ATOM 780 OG1 THR A 54 7.065 -19.765 -13.367 1.00 0.00 O ATOM 781 CG2 THR A 54 5.146 -19.567 -11.939 1.00 0.00 C ATOM 0 H THR A 54 6.268 -17.366 -10.218 1.00 0.00 H new ATOM 0 HA THR A 54 7.791 -17.472 -12.757 1.00 0.00 H new ATOM 0 HB THR A 54 7.175 -19.451 -11.301 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.912 -20.731 -13.306 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.090 -20.655 -11.909 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.793 -19.159 -10.992 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.521 -19.194 -12.750 1.00 0.00 H new ATOM 789 N LYS A 55 5.655 -17.153 -14.360 1.00 0.00 N ATOM 790 CA LYS A 55 4.664 -16.533 -15.278 1.00 0.00 C ATOM 791 C LYS A 55 3.249 -17.009 -14.850 1.00 0.00 C ATOM 792 O LYS A 55 2.279 -16.244 -14.910 1.00 0.00 O ATOM 793 CB LYS A 55 4.995 -16.892 -16.759 1.00 0.00 C ATOM 794 CG LYS A 55 4.021 -17.848 -17.489 1.00 0.00 C ATOM 795 CD LYS A 55 4.211 -19.349 -17.170 1.00 0.00 C ATOM 796 CE LYS A 55 5.577 -19.708 -16.550 1.00 0.00 C ATOM 797 NZ LYS A 55 6.261 -20.816 -17.245 1.00 0.00 N ATOM 0 H LYS A 55 6.269 -17.828 -14.816 1.00 0.00 H new ATOM 0 HA LYS A 55 4.701 -15.446 -15.214 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.048 -15.964 -17.328 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.989 -17.338 -16.785 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.000 -17.565 -17.234 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.133 -17.704 -18.564 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.423 -19.664 -16.486 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.083 -19.921 -18.089 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.218 -18.827 -16.567 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.434 -19.978 -15.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.171 -21.008 -16.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.667 -21.669 -17.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.427 -20.553 -18.237 1.00 0.00 H new ATOM 811 N GLU A 56 3.159 -18.271 -14.391 1.00 0.00 N ATOM 812 CA GLU A 56 1.877 -18.892 -13.967 1.00 0.00 C ATOM 813 C GLU A 56 1.305 -18.071 -12.779 1.00 0.00 C ATOM 814 O GLU A 56 0.179 -17.562 -12.840 1.00 0.00 O ATOM 815 CB GLU A 56 2.089 -20.398 -13.638 1.00 0.00 C ATOM 816 CG GLU A 56 0.930 -21.117 -12.907 1.00 0.00 C ATOM 817 CD GLU A 56 0.086 -22.023 -13.810 1.00 0.00 C ATOM 818 OE1 GLU A 56 0.023 -21.769 -15.033 1.00 0.00 O ATOM 819 OE2 GLU A 56 -0.515 -22.994 -13.300 1.00 0.00 O ATOM 0 H GLU A 56 3.964 -18.891 -14.301 1.00 0.00 H new ATOM 0 HA GLU A 56 1.142 -18.867 -14.772 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.283 -20.927 -14.571 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.987 -20.490 -13.027 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.343 -21.715 -12.095 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.281 -20.368 -12.453 1.00 0.00 H new ATOM 826 N GLU A 57 2.091 -17.977 -11.688 1.00 0.00 N ATOM 827 CA GLU A 57 1.678 -17.258 -10.453 1.00 0.00 C ATOM 828 C GLU A 57 1.317 -15.792 -10.819 1.00 0.00 C ATOM 829 O GLU A 57 0.441 -15.183 -10.193 1.00 0.00 O ATOM 830 CB GLU A 57 2.771 -17.346 -9.348 1.00 0.00 C ATOM 831 CG GLU A 57 2.865 -18.659 -8.532 1.00 0.00 C ATOM 832 CD GLU A 57 4.271 -18.978 -8.013 1.00 0.00 C ATOM 833 OE1 GLU A 57 4.777 -18.237 -7.141 1.00 0.00 O ATOM 834 OE2 GLU A 57 4.875 -19.972 -8.474 1.00 0.00 O ATOM 0 H GLU A 57 3.022 -18.391 -11.631 1.00 0.00 H new ATOM 0 HA GLU A 57 0.794 -17.736 -10.032 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.739 -17.174 -9.819 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.607 -16.527 -8.648 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.183 -18.596 -7.684 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.524 -19.486 -9.155 1.00 0.00 H new ATOM 841 N LEU A 58 2.023 -15.232 -11.819 1.00 0.00 N ATOM 842 CA LEU A 58 1.867 -13.809 -12.224 1.00 0.00 C ATOM 843 C LEU A 58 0.385 -13.558 -12.614 1.00 0.00 C ATOM 844 O LEU A 58 -0.186 -12.513 -12.280 1.00 0.00 O ATOM 845 CB LEU A 58 2.880 -13.502 -13.365 1.00 0.00 C ATOM 846 CG LEU A 58 4.209 -12.808 -12.952 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.355 -13.050 -13.958 1.00 0.00 C ATOM 848 CD2 LEU A 58 3.993 -11.293 -12.762 1.00 0.00 C ATOM 0 H LEU A 58 2.714 -15.742 -12.369 1.00 0.00 H new ATOM 0 HA LEU A 58 2.095 -13.124 -11.408 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.126 -14.440 -13.863 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.382 -12.872 -14.102 1.00 0.00 H new ATOM 0 HG LEU A 58 4.510 -13.260 -12.007 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.255 -12.540 -13.614 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.551 -14.119 -14.036 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.069 -12.661 -14.935 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.934 -10.825 -12.473 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.642 -10.856 -13.697 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.250 -11.126 -11.982 1.00 0.00 H new ATOM 860 N ASP A 59 -0.225 -14.543 -13.298 1.00 0.00 N ATOM 861 CA ASP A 59 -1.614 -14.436 -13.818 1.00 0.00 C ATOM 862 C ASP A 59 -2.591 -14.337 -12.614 1.00 0.00 C ATOM 863 O ASP A 59 -3.652 -13.708 -12.713 1.00 0.00 O ATOM 864 CB ASP A 59 -1.961 -15.612 -14.776 1.00 0.00 C ATOM 865 CG ASP A 59 -3.375 -15.597 -15.381 1.00 0.00 C ATOM 866 OD1 ASP A 59 -3.964 -14.502 -15.518 1.00 0.00 O ATOM 867 OD2 ASP A 59 -3.902 -16.682 -15.713 1.00 0.00 O ATOM 0 H ASP A 59 0.223 -15.435 -13.509 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.711 -13.532 -14.420 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.239 -15.614 -15.592 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.830 -16.548 -14.232 1.00 0.00 H new ATOM 872 N ALA A 60 -2.231 -14.992 -11.494 1.00 0.00 N ATOM 873 CA ALA A 60 -3.061 -15.007 -10.261 1.00 0.00 C ATOM 874 C ALA A 60 -3.110 -13.585 -9.634 1.00 0.00 C ATOM 875 O ALA A 60 -4.185 -13.094 -9.271 1.00 0.00 O ATOM 876 CB ALA A 60 -2.489 -16.048 -9.280 1.00 0.00 C ATOM 0 H ALA A 60 -1.364 -15.524 -11.412 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.086 -15.291 -10.501 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.093 -16.064 -8.373 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.506 -17.034 -9.745 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.462 -15.784 -9.027 1.00 0.00 H new ATOM 882 N ILE A 61 -1.927 -12.960 -9.492 1.00 0.00 N ATOM 883 CA ILE A 61 -1.779 -11.637 -8.828 1.00 0.00 C ATOM 884 C ILE A 61 -2.710 -10.659 -9.599 1.00 0.00 C ATOM 885 O ILE A 61 -3.626 -10.065 -9.013 1.00 0.00 O ATOM 886 CB ILE A 61 -0.272 -11.186 -8.745 1.00 0.00 C ATOM 887 CG1 ILE A 61 0.388 -11.533 -7.373 1.00 0.00 C ATOM 888 CG2 ILE A 61 -0.084 -9.676 -9.057 1.00 0.00 C ATOM 889 CD1 ILE A 61 0.887 -10.336 -6.546 1.00 0.00 C ATOM 0 H ILE A 61 -1.047 -13.349 -9.830 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.083 -11.668 -7.782 1.00 0.00 H new ATOM 0 HB ILE A 61 0.239 -11.760 -9.518 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.334 -12.088 -6.774 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.230 -12.200 -7.555 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.973 -9.419 -8.986 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.442 -9.465 -10.065 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.651 -9.083 -8.340 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.326 -10.695 -5.615 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.639 -9.789 -7.115 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.050 -9.675 -6.321 1.00 0.00 H new ATOM 901 N ILE A 62 -2.461 -10.504 -10.912 1.00 0.00 N ATOM 902 CA ILE A 62 -3.181 -9.530 -11.777 1.00 0.00 C ATOM 903 C ILE A 62 -4.693 -9.863 -11.645 1.00 0.00 C ATOM 904 O ILE A 62 -5.541 -8.964 -11.704 1.00 0.00 O ATOM 905 CB ILE A 62 -2.628 -9.529 -13.252 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.558 -8.417 -13.495 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.756 -9.421 -14.313 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.026 -8.302 -14.933 1.00 0.00 C ATOM 0 H ILE A 62 -1.756 -11.047 -11.411 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.017 -8.501 -11.457 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.141 -10.497 -13.373 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.988 -7.457 -13.209 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.714 -8.599 -12.829 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.318 -9.425 -15.311 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.434 -10.268 -14.211 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.309 -8.494 -14.163 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.290 -7.499 -14.986 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.558 -9.243 -15.224 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.852 -8.082 -15.610 1.00 0.00 H new ATOM 920 N GLU A 63 -5.016 -11.162 -11.498 1.00 0.00 N ATOM 921 CA GLU A 63 -6.418 -11.645 -11.364 1.00 0.00 C ATOM 922 C GLU A 63 -7.158 -10.751 -10.331 1.00 0.00 C ATOM 923 O GLU A 63 -8.060 -9.985 -10.694 1.00 0.00 O ATOM 924 CB GLU A 63 -6.441 -13.158 -10.998 1.00 0.00 C ATOM 925 CG GLU A 63 -7.657 -13.972 -11.501 1.00 0.00 C ATOM 926 CD GLU A 63 -8.927 -13.782 -10.666 1.00 0.00 C ATOM 927 OE1 GLU A 63 -8.835 -13.250 -9.537 1.00 0.00 O ATOM 928 OE2 GLU A 63 -10.022 -14.163 -11.135 1.00 0.00 O ATOM 0 H GLU A 63 -4.322 -11.909 -11.468 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.946 -11.561 -12.314 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.535 -13.618 -11.393 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.396 -13.247 -9.913 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.868 -13.689 -12.532 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.395 -15.030 -11.508 1.00 0.00 H new ATOM 935 N GLU A 64 -6.784 -10.887 -9.046 1.00 0.00 N ATOM 936 CA GLU A 64 -7.466 -10.192 -7.921 1.00 0.00 C ATOM 937 C GLU A 64 -7.594 -8.685 -8.274 1.00 0.00 C ATOM 938 O GLU A 64 -8.669 -8.091 -8.124 1.00 0.00 O ATOM 939 CB GLU A 64 -6.709 -10.457 -6.588 1.00 0.00 C ATOM 940 CG GLU A 64 -6.770 -9.335 -5.525 1.00 0.00 C ATOM 941 CD GLU A 64 -7.068 -9.829 -4.106 1.00 0.00 C ATOM 942 OE1 GLU A 64 -8.126 -10.462 -3.895 1.00 0.00 O ATOM 943 OE2 GLU A 64 -6.246 -9.584 -3.195 1.00 0.00 O ATOM 0 H GLU A 64 -6.006 -11.477 -8.751 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.474 -10.581 -7.773 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.108 -11.369 -6.145 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.662 -10.648 -6.822 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.819 -8.803 -5.520 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.536 -8.616 -5.816 1.00 0.00 H new ATOM 950 N VAL A 65 -6.490 -8.090 -8.763 1.00 0.00 N ATOM 951 CA VAL A 65 -6.416 -6.636 -9.070 1.00 0.00 C ATOM 952 C VAL A 65 -6.853 -6.449 -10.549 1.00 0.00 C ATOM 953 O VAL A 65 -6.009 -6.266 -11.436 1.00 0.00 O ATOM 954 CB VAL A 65 -5.000 -6.039 -8.748 1.00 0.00 C ATOM 955 CG1 VAL A 65 -4.909 -5.444 -7.322 1.00 0.00 C ATOM 956 CG2 VAL A 65 -3.833 -7.041 -8.926 1.00 0.00 C ATOM 0 H VAL A 65 -5.625 -8.594 -8.958 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.093 -6.071 -8.429 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.890 -5.247 -9.489 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.908 -5.047 -7.157 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.640 -4.642 -7.215 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.116 -6.224 -6.589 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.891 -6.549 -8.684 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.980 -7.892 -8.261 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.806 -7.388 -9.959 1.00 0.00 H new ATOM 966 N ASP A 66 -8.175 -6.498 -10.801 1.00 0.00 N ATOM 967 CA ASP A 66 -8.742 -6.336 -12.167 1.00 0.00 C ATOM 968 C ASP A 66 -10.286 -6.216 -12.056 1.00 0.00 C ATOM 969 O ASP A 66 -11.027 -6.792 -12.862 1.00 0.00 O ATOM 970 CB ASP A 66 -8.295 -7.488 -13.114 1.00 0.00 C ATOM 971 CG ASP A 66 -7.026 -7.225 -13.943 1.00 0.00 C ATOM 972 OD1 ASP A 66 -6.797 -6.064 -14.348 1.00 0.00 O ATOM 973 OD2 ASP A 66 -6.253 -8.179 -14.182 1.00 0.00 O ATOM 0 H ASP A 66 -8.878 -6.649 -10.078 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.356 -5.422 -12.619 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.134 -8.383 -12.514 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.114 -7.707 -13.799 1.00 0.00 H new ATOM 978 N GLU A 67 -10.754 -5.499 -11.018 1.00 0.00 N ATOM 979 CA GLU A 67 -12.195 -5.241 -10.762 1.00 0.00 C ATOM 980 C GLU A 67 -12.630 -3.969 -11.543 1.00 0.00 C ATOM 981 O GLU A 67 -13.402 -3.127 -11.040 1.00 0.00 O ATOM 982 CB GLU A 67 -12.448 -5.139 -9.228 1.00 0.00 C ATOM 983 CG GLU A 67 -13.046 -6.391 -8.543 1.00 0.00 C ATOM 984 CD GLU A 67 -14.363 -6.875 -9.158 1.00 0.00 C ATOM 985 OE1 GLU A 67 -15.321 -6.074 -9.245 1.00 0.00 O ATOM 986 OE2 GLU A 67 -14.447 -8.058 -9.555 1.00 0.00 O ATOM 0 H GLU A 67 -10.141 -5.075 -10.322 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.808 -6.067 -11.122 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.502 -4.903 -8.741 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -13.118 -4.298 -9.048 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.317 -7.200 -8.590 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.210 -6.171 -7.488 1.00 0.00 H new ATOM 993 N ASP A 68 -12.163 -3.832 -12.799 1.00 0.00 N ATOM 994 CA ASP A 68 -12.438 -2.650 -13.661 1.00 0.00 C ATOM 995 C ASP A 68 -12.786 -3.138 -15.092 1.00 0.00 C ATOM 996 O ASP A 68 -13.858 -2.832 -15.629 1.00 0.00 O ATOM 997 CB ASP A 68 -11.250 -1.643 -13.643 1.00 0.00 C ATOM 998 CG ASP A 68 -10.121 -1.914 -14.653 1.00 0.00 C ATOM 999 OD1 ASP A 68 -10.319 -1.649 -15.861 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -9.040 -2.396 -14.246 1.00 0.00 O ATOM 0 H ASP A 68 -11.582 -4.537 -13.252 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.295 -2.103 -13.268 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.644 -0.644 -13.828 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.821 -1.636 -12.641 1.00 0.00 H new ATOM 1005 N GLY A 69 -11.846 -3.871 -15.721 1.00 0.00 N ATOM 1006 CA GLY A 69 -12.006 -4.361 -17.114 1.00 0.00 C ATOM 1007 C GLY A 69 -10.751 -3.984 -17.945 1.00 0.00 C ATOM 1008 O GLY A 69 -10.835 -3.201 -18.899 1.00 0.00 O ATOM 0 H GLY A 69 -10.963 -4.140 -15.288 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.145 -5.442 -17.116 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.897 -3.924 -17.564 1.00 0.00 H new ATOM 1012 N SER A 70 -9.592 -4.546 -17.557 1.00 0.00 N ATOM 1013 CA SER A 70 -8.274 -4.211 -18.164 1.00 0.00 C ATOM 1014 C SER A 70 -7.163 -5.070 -17.504 1.00 0.00 C ATOM 1015 O SER A 70 -6.436 -4.598 -16.623 1.00 0.00 O ATOM 1016 CB SER A 70 -8.021 -2.693 -18.015 1.00 0.00 C ATOM 1017 OG SER A 70 -7.838 -2.316 -16.655 1.00 0.00 O ATOM 0 H SER A 70 -9.534 -5.245 -16.816 1.00 0.00 H new ATOM 0 HA SER A 70 -8.268 -4.444 -19.229 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.139 -2.414 -18.591 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.863 -2.142 -18.434 1.00 0.00 H new ATOM 0 HG SER A 70 -7.304 -2.997 -16.196 1.00 0.00 H new ATOM 1023 N GLY A 71 -7.058 -6.345 -17.926 1.00 0.00 N ATOM 1024 CA GLY A 71 -6.077 -7.308 -17.371 1.00 0.00 C ATOM 1025 C GLY A 71 -4.687 -6.656 -17.155 1.00 0.00 C ATOM 1026 O GLY A 71 -3.934 -7.066 -16.262 1.00 0.00 O ATOM 0 H GLY A 71 -7.648 -6.739 -18.659 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.447 -7.697 -16.422 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.979 -8.157 -18.047 1.00 0.00 H new ATOM 1030 N THR A 72 -4.368 -5.638 -17.979 1.00 0.00 N ATOM 1031 CA THR A 72 -3.071 -4.915 -17.919 1.00 0.00 C ATOM 1032 C THR A 72 -3.073 -3.984 -16.674 1.00 0.00 C ATOM 1033 O THR A 72 -3.953 -4.085 -15.808 1.00 0.00 O ATOM 1034 CB THR A 72 -2.757 -4.148 -19.243 1.00 0.00 C ATOM 1035 OG1 THR A 72 -3.716 -3.117 -19.466 1.00 0.00 O ATOM 1036 CG2 THR A 72 -2.696 -5.023 -20.509 1.00 0.00 C ATOM 0 H THR A 72 -4.996 -5.291 -18.704 1.00 0.00 H new ATOM 0 HA THR A 72 -2.263 -5.639 -17.814 1.00 0.00 H new ATOM 0 HB THR A 72 -1.756 -3.745 -19.086 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.503 -2.646 -20.299 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.472 -4.397 -21.373 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.916 -5.775 -20.394 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.657 -5.516 -20.657 1.00 0.00 H new ATOM 1044 N ILE A 73 -2.062 -3.100 -16.583 1.00 0.00 N ATOM 1045 CA ILE A 73 -1.919 -2.137 -15.457 1.00 0.00 C ATOM 1046 C ILE A 73 -1.355 -0.827 -16.073 1.00 0.00 C ATOM 1047 O ILE A 73 -0.168 -0.516 -15.906 1.00 0.00 O ATOM 1048 CB ILE A 73 -1.065 -2.731 -14.275 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.606 -4.105 -13.767 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -0.927 -1.742 -13.084 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -1.058 -5.349 -14.486 1.00 0.00 C ATOM 0 H ILE A 73 -1.321 -3.027 -17.280 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.876 -1.923 -14.981 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.074 -2.897 -14.697 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.378 -4.193 -12.705 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.692 -4.103 -13.861 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.329 -2.202 -12.297 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.439 -0.829 -13.424 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.916 -1.501 -12.695 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.501 -6.245 -14.052 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.309 -5.297 -15.545 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.025 -5.388 -14.371 1.00 0.00 H new ATOM 1063 N ASP A 74 -2.219 -0.060 -16.763 1.00 0.00 N ATOM 1064 CA ASP A 74 -1.832 1.224 -17.404 1.00 0.00 C ATOM 1065 C ASP A 74 -1.477 2.252 -16.294 1.00 0.00 C ATOM 1066 O ASP A 74 -1.441 1.932 -15.097 1.00 0.00 O ATOM 1067 CB ASP A 74 -2.946 1.727 -18.375 1.00 0.00 C ATOM 1068 CG ASP A 74 -3.001 3.167 -18.923 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -2.193 3.504 -19.816 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -3.858 3.953 -18.465 1.00 0.00 O ATOM 0 H ASP A 74 -3.200 -0.305 -16.895 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.948 1.082 -18.025 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -2.920 1.068 -19.243 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.896 1.552 -17.871 1.00 0.00 H new ATOM 1075 N PHE A 75 -1.179 3.497 -16.716 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.710 4.575 -15.805 1.00 0.00 C ATOM 1077 C PHE A 75 -1.881 5.004 -14.879 1.00 0.00 C ATOM 1078 O PHE A 75 -1.666 5.367 -13.716 1.00 0.00 O ATOM 1079 CB PHE A 75 -0.146 5.773 -16.626 1.00 0.00 C ATOM 1080 CG PHE A 75 0.629 6.827 -15.811 1.00 0.00 C ATOM 1081 CD1 PHE A 75 1.181 6.494 -14.568 1.00 0.00 C ATOM 1082 CD2 PHE A 75 0.802 8.124 -16.310 1.00 0.00 C ATOM 1083 CE1 PHE A 75 1.879 7.448 -13.830 1.00 0.00 C ATOM 1084 CE2 PHE A 75 1.499 9.076 -15.570 1.00 0.00 C ATOM 1085 CZ PHE A 75 2.025 8.741 -14.325 1.00 0.00 C ATOM 0 H PHE A 75 -1.254 3.788 -17.691 1.00 0.00 H new ATOM 0 HA PHE A 75 0.103 4.207 -15.180 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.513 5.382 -17.401 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.975 6.267 -17.132 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.065 5.493 -14.179 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.393 8.387 -17.274 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.307 7.184 -12.874 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.631 10.074 -15.962 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.547 9.486 -13.742 1.00 0.00 H new ATOM 1095 N GLU A 76 -3.112 4.984 -15.422 1.00 0.00 N ATOM 1096 CA GLU A 76 -4.324 5.470 -14.712 1.00 0.00 C ATOM 1097 C GLU A 76 -4.640 4.536 -13.511 1.00 0.00 C ATOM 1098 O GLU A 76 -4.979 5.008 -12.419 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.527 5.608 -15.692 1.00 0.00 C ATOM 1100 CG GLU A 76 -5.219 6.006 -17.157 1.00 0.00 C ATOM 1101 CD GLU A 76 -6.403 6.632 -17.901 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -6.687 7.832 -17.686 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -7.053 5.928 -18.706 1.00 0.00 O ATOM 0 H GLU A 76 -3.301 4.633 -16.361 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.134 6.467 -14.315 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.058 4.656 -15.707 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.212 6.349 -15.280 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.387 6.711 -17.163 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.890 5.120 -17.701 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.551 3.213 -13.742 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.874 2.177 -12.725 1.00 0.00 C ATOM 1112 C GLU A 77 -3.707 2.048 -11.708 1.00 0.00 C ATOM 1113 O GLU A 77 -3.922 1.656 -10.554 1.00 0.00 O ATOM 1114 CB GLU A 77 -5.206 0.807 -13.389 1.00 0.00 C ATOM 1115 CG GLU A 77 -4.441 -0.424 -12.849 1.00 0.00 C ATOM 1116 CD GLU A 77 -5.194 -1.740 -13.062 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -6.446 -1.727 -13.069 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -4.540 -2.794 -13.218 1.00 0.00 O ATOM 0 H GLU A 77 -4.254 2.825 -14.637 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.768 2.491 -12.186 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.274 0.622 -13.275 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.009 0.889 -14.458 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.470 -0.485 -13.340 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.252 -0.289 -11.784 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.477 2.368 -12.152 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.257 2.286 -11.304 1.00 0.00 C ATOM 1127 C PHE A 78 -1.350 3.352 -10.179 1.00 0.00 C ATOM 1128 O PHE A 78 -0.889 3.125 -9.054 1.00 0.00 O ATOM 1129 CB PHE A 78 0.024 2.452 -12.178 1.00 0.00 C ATOM 1130 CG PHE A 78 1.348 2.531 -11.390 1.00 0.00 C ATOM 1131 CD1 PHE A 78 1.628 3.649 -10.594 1.00 0.00 C ATOM 1132 CD2 PHE A 78 2.271 1.480 -11.441 1.00 0.00 C ATOM 1133 CE1 PHE A 78 2.823 3.725 -9.883 1.00 0.00 C ATOM 1134 CE2 PHE A 78 3.464 1.557 -10.726 1.00 0.00 C ATOM 1135 CZ PHE A 78 3.739 2.679 -9.948 1.00 0.00 C ATOM 0 H PHE A 78 -2.294 2.690 -13.102 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.189 1.305 -10.835 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.082 1.614 -12.873 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.079 3.357 -12.777 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.913 4.456 -10.531 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.057 0.605 -12.037 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.039 4.595 -9.281 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.176 0.746 -10.775 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.664 2.738 -9.394 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.949 4.513 -10.502 1.00 0.00 N ATOM 1146 CA LEU A 79 -2.019 5.675 -9.576 1.00 0.00 C ATOM 1147 C LEU A 79 -3.143 5.411 -8.537 1.00 0.00 C ATOM 1148 O LEU A 79 -3.027 5.802 -7.369 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.263 6.998 -10.365 1.00 0.00 C ATOM 1150 CG LEU A 79 -1.028 7.682 -11.020 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.418 8.887 -11.902 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -0.003 8.121 -9.957 1.00 0.00 C ATOM 0 H LEU A 79 -2.397 4.679 -11.403 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.070 5.792 -9.053 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.990 6.792 -11.151 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.724 7.715 -9.685 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.572 6.932 -11.666 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.520 9.327 -12.335 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.080 8.554 -12.701 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.931 9.632 -11.294 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.848 8.595 -10.446 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.469 8.830 -9.273 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.339 7.249 -9.399 1.00 0.00 H new ATOM 1164 N VAL A 80 -4.238 4.771 -8.986 1.00 0.00 N ATOM 1165 CA VAL A 80 -5.412 4.450 -8.128 1.00 0.00 C ATOM 1166 C VAL A 80 -4.976 3.374 -7.097 1.00 0.00 C ATOM 1167 O VAL A 80 -5.462 3.360 -5.959 1.00 0.00 O ATOM 1168 CB VAL A 80 -6.660 4.032 -8.986 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -6.553 2.591 -9.539 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -8.013 4.164 -8.245 1.00 0.00 C ATOM 0 H VAL A 80 -4.342 4.459 -9.951 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.739 5.335 -7.582 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.647 4.747 -9.809 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.443 2.358 -10.123 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.671 2.510 -10.174 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -6.469 1.888 -8.710 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.822 3.856 -8.907 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.007 3.528 -7.360 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.164 5.201 -7.946 1.00 0.00 H new ATOM 1180 N MET A 81 -4.080 2.461 -7.517 1.00 0.00 N ATOM 1181 CA MET A 81 -3.571 1.355 -6.662 1.00 0.00 C ATOM 1182 C MET A 81 -2.835 1.971 -5.441 1.00 0.00 C ATOM 1183 O MET A 81 -3.147 1.645 -4.288 1.00 0.00 O ATOM 1184 CB MET A 81 -2.656 0.390 -7.471 1.00 0.00 C ATOM 1185 CG MET A 81 -3.382 -0.674 -8.315 1.00 0.00 C ATOM 1186 SD MET A 81 -3.750 -2.124 -7.303 1.00 0.00 S ATOM 1187 CE MET A 81 -5.531 -2.282 -7.545 1.00 0.00 C ATOM 0 H MET A 81 -3.684 2.463 -8.457 1.00 0.00 H new ATOM 0 HA MET A 81 -4.406 0.752 -6.305 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.028 0.986 -8.134 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.991 -0.119 -6.774 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.305 -0.260 -8.720 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.762 -0.961 -9.164 1.00 0.00 H new ATOM 0 HE1 MET A 81 -5.977 -2.755 -6.670 1.00 0.00 H new ATOM 0 HE2 MET A 81 -5.968 -1.293 -7.685 1.00 0.00 H new ATOM 0 HE3 MET A 81 -5.726 -2.893 -8.426 1.00 0.00 H new ATOM 1197 N MET A 82 -1.836 2.832 -5.713 1.00 0.00 N ATOM 1198 CA MET A 82 -0.959 3.412 -4.660 1.00 0.00 C ATOM 1199 C MET A 82 -1.793 4.334 -3.730 1.00 0.00 C ATOM 1200 O MET A 82 -1.527 4.419 -2.525 1.00 0.00 O ATOM 1201 CB MET A 82 0.232 4.164 -5.319 1.00 0.00 C ATOM 1202 CG MET A 82 1.466 3.302 -5.646 1.00 0.00 C ATOM 1203 SD MET A 82 2.591 3.217 -4.233 1.00 0.00 S ATOM 1204 CE MET A 82 4.174 3.616 -5.001 1.00 0.00 C ATOM 0 H MET A 82 -1.610 3.147 -6.656 1.00 0.00 H new ATOM 0 HA MET A 82 -0.541 2.616 -4.044 1.00 0.00 H new ATOM 0 HB2 MET A 82 -0.120 4.627 -6.241 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.541 4.971 -4.655 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.149 2.297 -5.923 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.988 3.720 -6.506 1.00 0.00 H new ATOM 0 HE1 MET A 82 4.803 2.726 -5.021 1.00 0.00 H new ATOM 0 HE2 MET A 82 4.006 3.965 -6.020 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.670 4.398 -4.427 1.00 0.00 H new ATOM 1214 N VAL A 83 -2.793 5.025 -4.308 1.00 0.00 N ATOM 1215 CA VAL A 83 -3.610 6.039 -3.589 1.00 0.00 C ATOM 1216 C VAL A 83 -4.429 5.296 -2.499 1.00 0.00 C ATOM 1217 O VAL A 83 -4.547 5.777 -1.364 1.00 0.00 O ATOM 1218 CB VAL A 83 -4.491 6.888 -4.574 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -5.847 7.306 -3.957 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -3.793 8.163 -5.111 1.00 0.00 C ATOM 0 H VAL A 83 -3.062 4.902 -5.284 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.969 6.775 -3.104 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.657 6.208 -5.410 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.412 7.890 -4.683 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.414 6.415 -3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.671 7.908 -3.065 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.468 8.692 -5.784 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.530 8.813 -4.276 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.889 7.883 -5.651 1.00 0.00 H new ATOM 1230 N ARG A 84 -4.994 4.129 -2.861 1.00 0.00 N ATOM 1231 CA ARG A 84 -5.903 3.350 -1.979 1.00 0.00 C ATOM 1232 C ARG A 84 -5.176 3.099 -0.629 1.00 0.00 C ATOM 1233 O ARG A 84 -5.673 3.483 0.437 1.00 0.00 O ATOM 1234 CB ARG A 84 -6.312 2.013 -2.658 1.00 0.00 C ATOM 1235 CG ARG A 84 -7.813 1.654 -2.541 1.00 0.00 C ATOM 1236 CD ARG A 84 -8.272 0.650 -3.615 1.00 0.00 C ATOM 1237 NE ARG A 84 -9.752 0.595 -3.720 1.00 0.00 N ATOM 1238 CZ ARG A 84 -10.434 -0.264 -4.504 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -9.916 -0.713 -5.639 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -11.667 -0.641 -4.195 1.00 0.00 N ATOM 0 H ARG A 84 -4.838 3.694 -3.770 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.821 3.910 -1.798 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -6.047 2.063 -3.714 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.725 1.206 -2.220 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.006 1.236 -1.553 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.407 2.564 -2.623 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.849 0.931 -4.580 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.887 -0.341 -3.375 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.291 1.254 -3.159 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.987 -0.409 -5.931 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.446 -1.363 -6.220 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.115 -0.280 -3.352 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.168 -1.292 -4.800 1.00 0.00 H new ATOM 1254 N GLN A 85 -4.013 2.425 -0.691 1.00 0.00 N ATOM 1255 CA GLN A 85 -3.252 2.004 0.516 1.00 0.00 C ATOM 1256 C GLN A 85 -2.842 3.273 1.312 1.00 0.00 C ATOM 1257 O GLN A 85 -2.761 3.244 2.546 1.00 0.00 O ATOM 1258 CB GLN A 85 -2.027 1.138 0.102 1.00 0.00 C ATOM 1259 CG GLN A 85 -0.738 1.907 -0.280 1.00 0.00 C ATOM 1260 CD GLN A 85 0.566 1.236 0.188 1.00 0.00 C ATOM 1261 OE1 GLN A 85 1.294 1.771 1.024 1.00 0.00 O ATOM 1262 NE2 GLN A 85 0.886 0.060 -0.331 1.00 0.00 N ATOM 0 H GLN A 85 -3.571 2.155 -1.569 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.870 1.381 1.163 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -1.791 0.464 0.925 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -2.318 0.517 -0.745 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -0.705 2.021 -1.364 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -0.789 2.910 0.144 1.00 0.00 H new ATOM 0 HE21 GLN A 85 0.276 -0.375 -1.023 1.00 0.00 H new ATOM 0 HE22 GLN A 85 1.742 -0.411 -0.038 1.00 0.00 H new ATOM 1271 N MET A 86 -2.558 4.369 0.585 1.00 0.00 N ATOM 1272 CA MET A 86 -2.057 5.637 1.178 1.00 0.00 C ATOM 1273 C MET A 86 -3.007 6.033 2.342 1.00 0.00 C ATOM 1274 O MET A 86 -2.567 6.597 3.350 1.00 0.00 O ATOM 1275 CB MET A 86 -1.939 6.755 0.104 1.00 0.00 C ATOM 1276 CG MET A 86 -0.516 7.284 -0.160 1.00 0.00 C ATOM 1277 SD MET A 86 -0.542 9.083 -0.323 1.00 0.00 S ATOM 1278 CE MET A 86 -1.498 9.285 -1.841 1.00 0.00 C ATOM 0 H MET A 86 -2.667 4.408 -0.428 1.00 0.00 H new ATOM 0 HA MET A 86 -1.050 5.497 1.571 1.00 0.00 H new ATOM 0 HB2 MET A 86 -2.345 6.376 -0.834 1.00 0.00 H new ATOM 0 HB3 MET A 86 -2.567 7.592 0.408 1.00 0.00 H new ATOM 0 HG2 MET A 86 0.145 6.995 0.657 1.00 0.00 H new ATOM 0 HG3 MET A 86 -0.115 6.835 -1.069 1.00 0.00 H new ATOM 0 HE1 MET A 86 -0.984 9.981 -2.505 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.602 8.320 -2.337 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.486 9.677 -1.599 1.00 0.00 H new ATOM 1288 N LYS A 87 -4.312 5.752 2.170 1.00 0.00 N ATOM 1289 CA LYS A 87 -5.343 5.992 3.215 1.00 0.00 C ATOM 1290 C LYS A 87 -5.087 5.009 4.389 1.00 0.00 C ATOM 1291 O LYS A 87 -4.835 3.818 4.172 1.00 0.00 O ATOM 1292 CB LYS A 87 -6.786 5.798 2.669 1.00 0.00 C ATOM 1293 CG LYS A 87 -7.444 4.437 2.997 1.00 0.00 C ATOM 1294 CD LYS A 87 -8.906 4.286 2.527 1.00 0.00 C ATOM 1295 CE LYS A 87 -9.743 3.268 3.327 1.00 0.00 C ATOM 1296 NZ LYS A 87 -9.254 1.893 3.127 1.00 0.00 N ATOM 0 H LYS A 87 -4.687 5.354 1.309 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.264 7.026 3.550 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.417 6.592 3.068 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.766 5.921 1.586 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.849 3.645 2.543 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.408 4.284 4.076 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.393 5.259 2.584 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.906 3.990 1.478 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.706 3.518 4.387 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.787 3.332 3.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.838 1.233 3.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.312 1.647 2.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.265 1.827 3.443 1.00 0.00 H new