USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=13 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= -0.289 K(o=-0.29,f=-1.2) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.135 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 173:sc= -0.203 (180deg=-0.353) USER MOD Single : A 28 MET CE :methyl -168:sc= 0 (180deg=-0.138) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0346 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -170:sc= -2.73 (180deg=-3.12) 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=-0.35) 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 -91:sc= 0.196 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0142 USER MOD Single : A 81 MET CE :methyl 169:sc= -10.1! (180deg=-11.1!) USER MOD Single : A 82 MET CE :methyl -157:sc= -0.552 (180deg=-1.61!) USER MOD Single : A 85 GLN : amide:sc= -0.142 K(o=-0.14,f=-1.6!) USER MOD Single : A 86 MET CE :methyl -136:sc= -3.93! (180deg=-10.2!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N ASP A 5 -14.693 6.800 -12.004 1.00 0.00 N ATOM 56 CA ASP A 5 -14.510 7.288 -10.611 1.00 0.00 C ATOM 57 C ASP A 5 -13.184 6.709 -10.047 1.00 0.00 C ATOM 58 O ASP A 5 -12.525 7.338 -9.212 1.00 0.00 O ATOM 59 CB ASP A 5 -15.739 6.949 -9.718 1.00 0.00 C ATOM 60 CG ASP A 5 -15.892 5.474 -9.310 1.00 0.00 C ATOM 61 OD1 ASP A 5 -15.554 4.582 -10.120 1.00 0.00 O ATOM 62 OD2 ASP A 5 -16.351 5.205 -8.177 1.00 0.00 O ATOM 0 HA ASP A 5 -14.440 8.376 -10.611 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.681 7.552 -8.812 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -16.642 7.254 -10.247 1.00 0.00 H new ATOM 67 N GLN A 6 -12.828 5.491 -10.495 1.00 0.00 N ATOM 68 CA GLN A 6 -11.556 4.816 -10.126 1.00 0.00 C ATOM 69 C GLN A 6 -10.454 5.265 -11.126 1.00 0.00 C ATOM 70 O GLN A 6 -9.936 4.450 -11.901 1.00 0.00 O ATOM 71 CB GLN A 6 -11.750 3.273 -10.113 1.00 0.00 C ATOM 72 CG GLN A 6 -10.666 2.453 -9.371 1.00 0.00 C ATOM 73 CD GLN A 6 -10.252 1.153 -10.083 1.00 0.00 C ATOM 74 OE1 GLN A 6 -10.840 0.093 -9.869 1.00 0.00 O ATOM 75 NE2 GLN A 6 -9.244 1.203 -10.941 1.00 0.00 N ATOM 0 H GLN A 6 -13.411 4.940 -11.125 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.247 5.100 -9.120 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -12.716 3.053 -9.659 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -11.796 2.925 -11.145 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -9.782 3.078 -9.239 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.033 2.206 -8.375 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -8.763 2.086 -11.112 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.949 0.358 -11.431 1.00 0.00 H new ATOM 84 N GLN A 7 -10.086 6.558 -11.074 1.00 0.00 N ATOM 85 CA GLN A 7 -8.995 7.135 -11.905 1.00 0.00 C ATOM 86 C GLN A 7 -9.108 8.683 -11.855 1.00 0.00 C ATOM 87 O GLN A 7 -8.095 9.392 -11.884 1.00 0.00 O ATOM 88 CB GLN A 7 -9.076 6.648 -13.380 1.00 0.00 C ATOM 89 CG GLN A 7 -10.492 6.568 -13.995 1.00 0.00 C ATOM 90 CD GLN A 7 -10.463 6.451 -15.528 1.00 0.00 C ATOM 91 OE1 GLN A 7 -9.713 5.655 -16.094 1.00 0.00 O ATOM 92 NE2 GLN A 7 -11.265 7.237 -16.232 1.00 0.00 N ATOM 0 H GLN A 7 -10.531 7.238 -10.458 1.00 0.00 H new ATOM 0 HA GLN A 7 -8.036 6.804 -11.505 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.473 7.316 -13.995 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.620 5.660 -13.440 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -11.017 5.709 -13.578 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -11.058 7.456 -13.712 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -11.883 7.893 -15.755 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.264 7.185 -17.251 1.00 0.00 H new ATOM 101 N ALA A 8 -10.353 9.192 -11.781 1.00 0.00 N ATOM 102 CA ALA A 8 -10.630 10.652 -11.727 1.00 0.00 C ATOM 103 C ALA A 8 -10.370 11.190 -10.293 1.00 0.00 C ATOM 104 O ALA A 8 -9.944 12.337 -10.117 1.00 0.00 O ATOM 105 CB ALA A 8 -12.080 10.908 -12.183 1.00 0.00 C ATOM 0 H ALA A 8 -11.193 8.614 -11.757 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.961 11.187 -12.401 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.290 11.977 -12.146 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.209 10.548 -13.204 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.768 10.380 -11.522 1.00 0.00 H new ATOM 111 N GLU A 9 -10.662 10.351 -9.281 1.00 0.00 N ATOM 112 CA GLU A 9 -10.506 10.714 -7.847 1.00 0.00 C ATOM 113 C GLU A 9 -8.994 10.836 -7.514 1.00 0.00 C ATOM 114 O GLU A 9 -8.589 11.694 -6.720 1.00 0.00 O ATOM 115 CB GLU A 9 -11.221 9.695 -6.913 1.00 0.00 C ATOM 116 CG GLU A 9 -12.725 9.943 -6.645 1.00 0.00 C ATOM 117 CD GLU A 9 -13.002 10.497 -5.246 1.00 0.00 C ATOM 118 OE1 GLU A 9 -12.121 11.183 -4.681 1.00 0.00 O ATOM 119 OE2 GLU A 9 -14.100 10.247 -4.702 1.00 0.00 O ATOM 0 H GLU A 9 -11.012 9.404 -9.427 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.986 11.677 -7.672 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.111 8.700 -7.345 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.701 9.686 -5.955 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.110 10.641 -7.388 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -13.270 9.008 -6.773 1.00 0.00 H new ATOM 126 N ALA A 10 -8.178 9.948 -8.111 1.00 0.00 N ATOM 127 CA ALA A 10 -6.721 9.862 -7.821 1.00 0.00 C ATOM 128 C ALA A 10 -5.953 10.983 -8.574 1.00 0.00 C ATOM 129 O ALA A 10 -4.894 11.433 -8.121 1.00 0.00 O ATOM 130 CB ALA A 10 -6.215 8.459 -8.211 1.00 0.00 C ATOM 0 H ALA A 10 -8.499 9.272 -8.804 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.542 10.011 -6.756 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.148 8.386 -8.002 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.750 7.706 -7.633 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.389 8.292 -9.274 1.00 0.00 H new ATOM 136 N ARG A 11 -6.489 11.397 -9.737 1.00 0.00 N ATOM 137 CA ARG A 11 -5.840 12.395 -10.629 1.00 0.00 C ATOM 138 C ARG A 11 -6.056 13.804 -10.012 1.00 0.00 C ATOM 139 O ARG A 11 -5.168 14.662 -10.070 1.00 0.00 O ATOM 140 CB ARG A 11 -6.425 12.309 -12.067 1.00 0.00 C ATOM 141 CG ARG A 11 -6.565 13.663 -12.801 1.00 0.00 C ATOM 142 CD ARG A 11 -6.446 13.526 -14.330 1.00 0.00 C ATOM 143 NE ARG A 11 -5.867 14.744 -14.951 1.00 0.00 N ATOM 144 CZ ARG A 11 -5.603 14.885 -16.265 1.00 0.00 C ATOM 145 NH1 ARG A 11 -6.353 14.290 -17.183 1.00 0.00 N ATOM 146 NH2 ARG A 11 -4.610 15.659 -16.684 1.00 0.00 N ATOM 0 H ARG A 11 -7.382 11.054 -10.091 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.772 12.192 -10.710 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.789 11.655 -12.663 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.407 11.838 -12.015 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.529 14.107 -12.554 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.797 14.348 -12.441 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.823 12.665 -14.570 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.431 13.335 -14.755 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.654 15.531 -14.339 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.145 13.714 -16.899 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.137 14.409 -18.173 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.033 16.159 -16.008 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.424 15.754 -17.682 1.00 0.00 H new ATOM 160 N ALA A 12 -7.253 14.024 -9.435 1.00 0.00 N ATOM 161 CA ALA A 12 -7.652 15.341 -8.871 1.00 0.00 C ATOM 162 C ALA A 12 -6.862 15.618 -7.563 1.00 0.00 C ATOM 163 O ALA A 12 -6.558 16.773 -7.241 1.00 0.00 O ATOM 164 CB ALA A 12 -9.175 15.355 -8.637 1.00 0.00 C ATOM 0 H ALA A 12 -7.970 13.304 -9.344 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.410 16.139 -9.574 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.471 16.319 -8.224 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.690 15.193 -9.584 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.443 14.563 -7.938 1.00 0.00 H new ATOM 170 N PHE A 13 -6.546 14.544 -6.816 1.00 0.00 N ATOM 171 CA PHE A 13 -5.802 14.639 -5.532 1.00 0.00 C ATOM 172 C PHE A 13 -4.303 14.926 -5.821 1.00 0.00 C ATOM 173 O PHE A 13 -3.712 15.846 -5.243 1.00 0.00 O ATOM 174 CB PHE A 13 -6.030 13.334 -4.716 1.00 0.00 C ATOM 175 CG PHE A 13 -5.356 13.304 -3.329 1.00 0.00 C ATOM 176 CD1 PHE A 13 -3.960 13.332 -3.221 1.00 0.00 C ATOM 177 CD2 PHE A 13 -6.131 13.241 -2.165 1.00 0.00 C ATOM 178 CE1 PHE A 13 -3.351 13.295 -1.969 1.00 0.00 C ATOM 179 CE2 PHE A 13 -5.519 13.203 -0.914 1.00 0.00 C ATOM 180 CZ PHE A 13 -4.130 13.230 -0.817 1.00 0.00 C ATOM 0 H PHE A 13 -6.794 13.590 -7.077 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.169 15.467 -4.926 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.102 13.188 -4.585 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.663 12.490 -5.300 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.353 13.383 -4.113 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -7.208 13.222 -2.237 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.274 13.317 -1.892 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -6.122 13.153 -0.019 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.657 13.200 0.153 1.00 0.00 H new ATOM 190 N LEU A 14 -3.707 14.118 -6.718 1.00 0.00 N ATOM 191 CA LEU A 14 -2.267 14.215 -7.075 1.00 0.00 C ATOM 192 C LEU A 14 -2.123 15.275 -8.201 1.00 0.00 C ATOM 193 O LEU A 14 -2.571 15.059 -9.333 1.00 0.00 O ATOM 194 CB LEU A 14 -1.706 12.827 -7.511 1.00 0.00 C ATOM 195 CG LEU A 14 -2.139 11.585 -6.679 1.00 0.00 C ATOM 196 CD1 LEU A 14 -2.378 10.339 -7.556 1.00 0.00 C ATOM 197 CD2 LEU A 14 -1.108 11.262 -5.579 1.00 0.00 C ATOM 0 H LEU A 14 -4.203 13.380 -7.218 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.682 14.524 -6.209 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.998 12.656 -8.547 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.618 12.883 -7.491 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.088 11.848 -6.212 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.678 9.502 -6.925 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.166 10.549 -8.279 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.459 10.084 -8.084 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.439 10.390 -5.015 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.141 11.053 -6.037 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.014 12.115 -4.906 1.00 0.00 H new ATOM 209 N SER A 15 -1.465 16.404 -7.876 1.00 0.00 N ATOM 210 CA SER A 15 -1.224 17.511 -8.839 1.00 0.00 C ATOM 211 C SER A 15 -0.308 17.015 -9.991 1.00 0.00 C ATOM 212 O SER A 15 -0.028 15.816 -10.105 1.00 0.00 O ATOM 213 CB SER A 15 -0.624 18.723 -8.090 1.00 0.00 C ATOM 214 OG SER A 15 0.796 18.642 -8.022 1.00 0.00 O ATOM 0 H SER A 15 -1.085 16.580 -6.946 1.00 0.00 H new ATOM 0 HA SER A 15 -2.163 17.833 -9.288 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.913 19.644 -8.595 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.036 18.770 -7.082 1.00 0.00 H new ATOM 0 HG SER A 15 1.146 19.423 -7.544 1.00 0.00 H new ATOM 220 N GLU A 16 0.124 17.953 -10.854 1.00 0.00 N ATOM 221 CA GLU A 16 0.981 17.644 -12.030 1.00 0.00 C ATOM 222 C GLU A 16 2.421 17.339 -11.532 1.00 0.00 C ATOM 223 O GLU A 16 3.111 16.479 -12.093 1.00 0.00 O ATOM 224 CB GLU A 16 0.913 18.803 -13.066 1.00 0.00 C ATOM 225 CG GLU A 16 1.646 18.573 -14.409 1.00 0.00 C ATOM 226 CD GLU A 16 1.865 19.848 -15.230 1.00 0.00 C ATOM 227 OE1 GLU A 16 0.999 20.749 -15.192 1.00 0.00 O ATOM 228 OE2 GLU A 16 2.904 19.951 -15.921 1.00 0.00 O ATOM 0 H GLU A 16 -0.105 18.943 -10.763 1.00 0.00 H new ATOM 0 HA GLU A 16 0.621 16.757 -12.552 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.136 19.008 -13.281 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.324 19.700 -12.602 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.613 18.113 -14.208 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.073 17.863 -15.006 1.00 0.00 H new ATOM 235 N GLU A 17 2.851 18.060 -10.475 1.00 0.00 N ATOM 236 CA GLU A 17 4.240 17.966 -9.949 1.00 0.00 C ATOM 237 C GLU A 17 4.369 16.637 -9.154 1.00 0.00 C ATOM 238 O GLU A 17 5.390 15.944 -9.246 1.00 0.00 O ATOM 239 CB GLU A 17 4.611 19.226 -9.113 1.00 0.00 C ATOM 240 CG GLU A 17 6.120 19.513 -8.927 1.00 0.00 C ATOM 241 CD GLU A 17 7.008 18.950 -10.042 1.00 0.00 C ATOM 242 OE1 GLU A 17 7.020 19.524 -11.154 1.00 0.00 O ATOM 243 OE2 GLU A 17 7.694 17.930 -9.813 1.00 0.00 O ATOM 0 H GLU A 17 2.259 18.716 -9.965 1.00 0.00 H new ATOM 0 HA GLU A 17 4.960 17.946 -10.767 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.154 20.095 -9.586 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.159 19.126 -8.126 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.269 20.591 -8.869 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.443 19.094 -7.974 1.00 0.00 H new ATOM 250 N MET A 18 3.311 16.285 -8.400 1.00 0.00 N ATOM 251 CA MET A 18 3.272 15.043 -7.585 1.00 0.00 C ATOM 252 C MET A 18 3.267 13.834 -8.560 1.00 0.00 C ATOM 253 O MET A 18 3.891 12.801 -8.289 1.00 0.00 O ATOM 254 CB MET A 18 2.050 15.029 -6.624 1.00 0.00 C ATOM 255 CG MET A 18 1.869 16.283 -5.748 1.00 0.00 C ATOM 256 SD MET A 18 1.160 15.827 -4.151 1.00 0.00 S ATOM 257 CE MET A 18 1.700 17.205 -3.118 1.00 0.00 C ATOM 0 H MET A 18 2.461 16.845 -8.334 1.00 0.00 H new ATOM 0 HA MET A 18 4.151 14.987 -6.942 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.147 14.891 -7.218 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.137 14.162 -5.970 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.830 16.775 -5.601 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.219 16.998 -6.252 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.336 17.062 -2.101 1.00 0.00 H new ATOM 0 HE2 MET A 18 2.789 17.249 -3.111 1.00 0.00 H new ATOM 0 HE3 MET A 18 1.301 18.137 -3.518 1.00 0.00 H new ATOM 267 N ILE A 19 2.546 13.979 -9.688 1.00 0.00 N ATOM 268 CA ILE A 19 2.344 12.886 -10.677 1.00 0.00 C ATOM 269 C ILE A 19 3.745 12.558 -11.259 1.00 0.00 C ATOM 270 O ILE A 19 4.048 11.394 -11.554 1.00 0.00 O ATOM 271 CB ILE A 19 1.250 13.258 -11.748 1.00 0.00 C ATOM 272 CG1 ILE A 19 -0.205 13.124 -11.196 1.00 0.00 C ATOM 273 CG2 ILE A 19 1.398 12.440 -13.059 1.00 0.00 C ATOM 274 CD1 ILE A 19 -1.270 13.981 -11.899 1.00 0.00 C ATOM 0 H ILE A 19 2.085 14.852 -9.945 1.00 0.00 H new ATOM 0 HA ILE A 19 1.937 11.987 -10.215 1.00 0.00 H new ATOM 0 HB ILE A 19 1.425 14.308 -11.981 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.504 12.078 -11.265 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.197 13.384 -10.138 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.619 12.736 -13.762 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.377 12.632 -13.499 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.302 11.377 -12.837 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.241 13.808 -11.434 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.007 15.035 -11.809 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.319 13.708 -12.953 1.00 0.00 H new ATOM 286 N ALA A 20 4.580 13.597 -11.448 1.00 0.00 N ATOM 287 CA ALA A 20 5.912 13.462 -12.097 1.00 0.00 C ATOM 288 C ALA A 20 6.754 12.377 -11.371 1.00 0.00 C ATOM 289 O ALA A 20 7.457 11.589 -12.015 1.00 0.00 O ATOM 290 CB ALA A 20 6.614 14.833 -12.092 1.00 0.00 C ATOM 0 H ALA A 20 4.359 14.550 -11.160 1.00 0.00 H new ATOM 0 HA ALA A 20 5.795 13.140 -13.132 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.591 14.743 -12.566 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.009 15.554 -12.642 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.739 15.174 -11.064 1.00 0.00 H new ATOM 296 N GLU A 21 6.692 12.373 -10.027 1.00 0.00 N ATOM 297 CA GLU A 21 7.520 11.476 -9.179 1.00 0.00 C ATOM 298 C GLU A 21 7.259 10.008 -9.615 1.00 0.00 C ATOM 299 O GLU A 21 8.175 9.178 -9.623 1.00 0.00 O ATOM 300 CB GLU A 21 7.231 11.739 -7.673 1.00 0.00 C ATOM 301 CG GLU A 21 7.471 13.181 -7.167 1.00 0.00 C ATOM 302 CD GLU A 21 8.932 13.490 -6.821 1.00 0.00 C ATOM 303 OE1 GLU A 21 9.706 13.854 -7.734 1.00 0.00 O ATOM 304 OE2 GLU A 21 9.311 13.370 -5.635 1.00 0.00 O ATOM 0 H GLU A 21 6.073 12.985 -9.495 1.00 0.00 H new ATOM 0 HA GLU A 21 8.583 11.677 -9.315 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.192 11.476 -7.474 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.850 11.063 -7.083 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.134 13.883 -7.930 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.856 13.351 -6.283 1.00 0.00 H new ATOM 311 N PHE A 22 5.991 9.702 -9.947 1.00 0.00 N ATOM 312 CA PHE A 22 5.551 8.326 -10.300 1.00 0.00 C ATOM 313 C PHE A 22 6.015 8.018 -11.751 1.00 0.00 C ATOM 314 O PHE A 22 6.372 6.878 -12.070 1.00 0.00 O ATOM 315 CB PHE A 22 4.010 8.182 -10.131 1.00 0.00 C ATOM 316 CG PHE A 22 3.484 8.373 -8.693 1.00 0.00 C ATOM 317 CD1 PHE A 22 3.518 7.311 -7.782 1.00 0.00 C ATOM 318 CD2 PHE A 22 2.992 9.616 -8.278 1.00 0.00 C ATOM 319 CE1 PHE A 22 3.060 7.488 -6.478 1.00 0.00 C ATOM 320 CE2 PHE A 22 2.533 9.790 -6.974 1.00 0.00 C ATOM 321 CZ PHE A 22 2.567 8.726 -6.076 1.00 0.00 C ATOM 0 H PHE A 22 5.241 10.393 -9.980 1.00 0.00 H new ATOM 0 HA PHE A 22 6.004 7.599 -9.626 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.520 8.909 -10.779 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.714 7.193 -10.480 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.901 6.350 -8.091 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.968 10.444 -8.971 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.088 6.665 -5.779 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.151 10.750 -6.660 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.210 8.862 -5.066 1.00 0.00 H new ATOM 331 N LYS A 23 5.972 9.045 -12.620 1.00 0.00 N ATOM 332 CA LYS A 23 6.353 8.922 -14.053 1.00 0.00 C ATOM 333 C LYS A 23 7.746 8.240 -14.120 1.00 0.00 C ATOM 334 O LYS A 23 7.979 7.360 -14.957 1.00 0.00 O ATOM 335 CB LYS A 23 6.377 10.311 -14.756 1.00 0.00 C ATOM 336 CG LYS A 23 5.230 10.617 -15.750 1.00 0.00 C ATOM 337 CD LYS A 23 5.361 9.928 -17.124 1.00 0.00 C ATOM 338 CE LYS A 23 6.001 10.839 -18.187 1.00 0.00 C ATOM 339 NZ LYS A 23 7.200 11.517 -17.667 1.00 0.00 N ATOM 0 H LYS A 23 5.674 9.984 -12.356 1.00 0.00 H new ATOM 0 HA LYS A 23 5.614 8.319 -14.580 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.371 11.081 -13.985 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.322 10.403 -15.291 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.286 10.315 -15.297 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.180 11.695 -15.904 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.961 9.024 -17.017 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.374 9.616 -17.465 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.268 10.247 -19.062 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.275 11.583 -18.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.673 12.028 -18.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.923 12.191 -16.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.852 10.812 -17.269 1.00 0.00 H new ATOM 353 N ALA A 24 8.670 8.681 -13.247 1.00 0.00 N ATOM 354 CA ALA A 24 10.073 8.187 -13.233 1.00 0.00 C ATOM 355 C ALA A 24 10.089 6.641 -13.091 1.00 0.00 C ATOM 356 O ALA A 24 10.655 5.929 -13.929 1.00 0.00 O ATOM 357 CB ALA A 24 10.840 8.878 -12.089 1.00 0.00 C ATOM 0 H ALA A 24 8.475 9.384 -12.534 1.00 0.00 H new ATOM 0 HA ALA A 24 10.569 8.432 -14.172 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.870 8.520 -12.073 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.833 9.957 -12.246 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.361 8.647 -11.138 1.00 0.00 H new ATOM 363 N ALA A 25 9.482 6.139 -11.998 1.00 0.00 N ATOM 364 CA ALA A 25 9.490 4.691 -11.661 1.00 0.00 C ATOM 365 C ALA A 25 8.320 3.943 -12.358 1.00 0.00 C ATOM 366 O ALA A 25 8.018 2.797 -11.990 1.00 0.00 O ATOM 367 CB ALA A 25 9.423 4.539 -10.126 1.00 0.00 C ATOM 0 H ALA A 25 8.975 6.715 -11.326 1.00 0.00 H new ATOM 0 HA ALA A 25 10.411 4.238 -12.027 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.428 3.481 -9.865 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.286 5.029 -9.674 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.508 5.000 -9.754 1.00 0.00 H new ATOM 373 N PHE A 26 7.651 4.593 -13.327 1.00 0.00 N ATOM 374 CA PHE A 26 6.540 3.983 -14.104 1.00 0.00 C ATOM 375 C PHE A 26 7.153 3.228 -15.315 1.00 0.00 C ATOM 376 O PHE A 26 6.726 2.119 -15.656 1.00 0.00 O ATOM 377 CB PHE A 26 5.514 5.068 -14.546 1.00 0.00 C ATOM 378 CG PHE A 26 4.419 4.583 -15.519 1.00 0.00 C ATOM 379 CD1 PHE A 26 4.660 4.553 -16.898 1.00 0.00 C ATOM 380 CD2 PHE A 26 3.181 4.149 -15.030 1.00 0.00 C ATOM 381 CE1 PHE A 26 3.684 4.077 -17.770 1.00 0.00 C ATOM 382 CE2 PHE A 26 2.209 3.670 -15.905 1.00 0.00 C ATOM 383 CZ PHE A 26 2.456 3.645 -17.274 1.00 0.00 C ATOM 0 H PHE A 26 7.859 5.554 -13.598 1.00 0.00 H new ATOM 0 HA PHE A 26 5.988 3.274 -13.487 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.032 5.473 -13.656 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.057 5.888 -15.016 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.606 4.900 -17.287 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.979 4.186 -13.970 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.879 4.043 -18.832 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.263 3.318 -15.521 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.695 3.290 -17.953 1.00 0.00 H new ATOM 393 N ASP A 27 8.168 3.847 -15.947 1.00 0.00 N ATOM 394 CA ASP A 27 8.872 3.266 -17.121 1.00 0.00 C ATOM 395 C ASP A 27 9.754 2.082 -16.636 1.00 0.00 C ATOM 396 O ASP A 27 9.756 1.008 -17.252 1.00 0.00 O ATOM 397 CB ASP A 27 9.687 4.344 -17.893 1.00 0.00 C ATOM 398 CG ASP A 27 8.910 5.154 -18.945 1.00 0.00 C ATOM 399 OD1 ASP A 27 8.342 6.212 -18.596 1.00 0.00 O ATOM 400 OD2 ASP A 27 8.872 4.736 -20.123 1.00 0.00 O ATOM 0 H ASP A 27 8.527 4.759 -15.665 1.00 0.00 H new ATOM 0 HA ASP A 27 8.142 2.886 -17.836 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.110 5.039 -17.168 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.524 3.852 -18.388 1.00 0.00 H new ATOM 405 N MET A 28 10.495 2.299 -15.533 1.00 0.00 N ATOM 406 CA MET A 28 11.361 1.254 -14.922 1.00 0.00 C ATOM 407 C MET A 28 10.509 -0.036 -14.770 1.00 0.00 C ATOM 408 O MET A 28 10.932 -1.124 -15.176 1.00 0.00 O ATOM 409 CB MET A 28 11.966 1.719 -13.566 1.00 0.00 C ATOM 410 CG MET A 28 12.746 0.650 -12.778 1.00 0.00 C ATOM 411 SD MET A 28 12.760 1.063 -11.020 1.00 0.00 S ATOM 412 CE MET A 28 13.573 2.675 -11.043 1.00 0.00 C ATOM 0 H MET A 28 10.516 3.191 -15.039 1.00 0.00 H new ATOM 0 HA MET A 28 12.217 1.057 -15.567 1.00 0.00 H new ATOM 0 HB2 MET A 28 12.632 2.561 -13.756 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.157 2.089 -12.936 1.00 0.00 H new ATOM 0 HG2 MET A 28 12.289 -0.328 -12.926 1.00 0.00 H new ATOM 0 HG3 MET A 28 13.768 0.584 -13.152 1.00 0.00 H new ATOM 0 HE1 MET A 28 13.845 2.960 -10.027 1.00 0.00 H new ATOM 0 HE2 MET A 28 14.472 2.620 -11.657 1.00 0.00 H new ATOM 0 HE3 MET A 28 12.894 3.419 -11.459 1.00 0.00 H new ATOM 422 N PHE A 29 9.306 0.110 -14.180 1.00 0.00 N ATOM 423 CA PHE A 29 8.394 -1.036 -13.917 1.00 0.00 C ATOM 424 C PHE A 29 8.006 -1.676 -15.278 1.00 0.00 C ATOM 425 O PHE A 29 7.931 -2.904 -15.400 1.00 0.00 O ATOM 426 CB PHE A 29 7.144 -0.580 -13.108 1.00 0.00 C ATOM 427 CG PHE A 29 6.303 -1.720 -12.499 1.00 0.00 C ATOM 428 CD1 PHE A 29 5.972 -2.842 -13.268 1.00 0.00 C ATOM 429 CD2 PHE A 29 5.853 -1.641 -11.175 1.00 0.00 C ATOM 430 CE1 PHE A 29 5.209 -3.870 -12.720 1.00 0.00 C ATOM 431 CE2 PHE A 29 5.090 -2.671 -10.630 1.00 0.00 C ATOM 432 CZ PHE A 29 4.768 -3.783 -11.402 1.00 0.00 C ATOM 0 H PHE A 29 8.937 1.010 -13.874 1.00 0.00 H new ATOM 0 HA PHE A 29 8.899 -1.783 -13.305 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.472 0.077 -12.303 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.504 0.012 -13.762 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.310 -2.911 -14.291 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.099 -0.778 -10.574 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.959 -4.735 -13.317 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.748 -2.607 -9.608 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.175 -4.580 -10.978 1.00 0.00 H new ATOM 442 N ASP A 30 7.791 -0.824 -16.298 1.00 0.00 N ATOM 443 CA ASP A 30 7.394 -1.271 -17.660 1.00 0.00 C ATOM 444 C ASP A 30 8.602 -1.992 -18.319 1.00 0.00 C ATOM 445 O ASP A 30 9.758 -1.756 -17.947 1.00 0.00 O ATOM 446 CB ASP A 30 6.860 -0.089 -18.519 1.00 0.00 C ATOM 447 CG ASP A 30 5.791 -0.443 -19.567 1.00 0.00 C ATOM 448 OD1 ASP A 30 5.043 -1.425 -19.361 1.00 0.00 O ATOM 449 OD2 ASP A 30 5.694 0.263 -20.594 1.00 0.00 O ATOM 0 H ASP A 30 7.885 0.188 -16.210 1.00 0.00 H new ATOM 0 HA ASP A 30 6.565 -1.976 -17.588 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.446 0.664 -17.848 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.704 0.371 -19.032 1.00 0.00 H new ATOM 454 N ALA A 31 8.315 -2.848 -19.317 1.00 0.00 N ATOM 455 CA ALA A 31 9.355 -3.618 -20.051 1.00 0.00 C ATOM 456 C ALA A 31 9.762 -2.859 -21.344 1.00 0.00 C ATOM 457 O ALA A 31 10.950 -2.618 -21.587 1.00 0.00 O ATOM 458 CB ALA A 31 8.817 -5.029 -20.356 1.00 0.00 C ATOM 0 H ALA A 31 7.365 -3.030 -19.641 1.00 0.00 H new ATOM 0 HA ALA A 31 10.251 -3.721 -19.439 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.575 -5.599 -20.894 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.577 -5.537 -19.422 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.919 -4.951 -20.968 1.00 0.00 H new ATOM 464 N ASP A 32 8.753 -2.471 -22.147 1.00 0.00 N ATOM 465 CA ASP A 32 8.962 -1.733 -23.422 1.00 0.00 C ATOM 466 C ASP A 32 9.088 -0.219 -23.104 1.00 0.00 C ATOM 467 O ASP A 32 10.190 0.343 -23.123 1.00 0.00 O ATOM 468 CB ASP A 32 7.838 -2.037 -24.455 1.00 0.00 C ATOM 469 CG ASP A 32 6.807 -3.102 -24.041 1.00 0.00 C ATOM 470 OD1 ASP A 32 7.089 -4.310 -24.201 1.00 0.00 O ATOM 471 OD2 ASP A 32 5.712 -2.731 -23.562 1.00 0.00 O ATOM 0 H ASP A 32 7.772 -2.656 -21.938 1.00 0.00 H new ATOM 0 HA ASP A 32 9.886 -2.069 -23.893 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.307 -1.109 -24.667 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.305 -2.356 -25.387 1.00 0.00 H new ATOM 476 N GLY A 33 7.949 0.424 -22.784 1.00 0.00 N ATOM 477 CA GLY A 33 7.916 1.849 -22.363 1.00 0.00 C ATOM 478 C GLY A 33 6.789 2.634 -23.085 1.00 0.00 C ATOM 479 O GLY A 33 6.973 3.787 -23.493 1.00 0.00 O ATOM 0 H GLY A 33 7.031 -0.019 -22.808 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.767 1.907 -21.285 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.878 2.314 -22.577 1.00 0.00 H new ATOM 483 N GLY A 34 5.606 2.000 -23.210 1.00 0.00 N ATOM 484 CA GLY A 34 4.400 2.654 -23.777 1.00 0.00 C ATOM 485 C GLY A 34 3.692 3.505 -22.694 1.00 0.00 C ATOM 486 O GLY A 34 4.074 4.652 -22.429 1.00 0.00 O ATOM 0 H GLY A 34 5.456 1.032 -22.926 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.682 3.286 -24.619 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.715 1.898 -24.161 1.00 0.00 H new ATOM 490 N GLY A 35 2.629 2.936 -22.090 1.00 0.00 N ATOM 491 CA GLY A 35 1.804 3.642 -21.078 1.00 0.00 C ATOM 492 C GLY A 35 0.859 2.641 -20.365 1.00 0.00 C ATOM 493 O GLY A 35 -0.273 2.987 -20.003 1.00 0.00 O ATOM 0 H GLY A 35 2.317 1.984 -22.284 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.450 4.128 -20.347 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.219 4.427 -21.558 1.00 0.00 H new ATOM 497 N ASP A 36 1.332 1.391 -20.200 1.00 0.00 N ATOM 498 CA ASP A 36 0.576 0.313 -19.511 1.00 0.00 C ATOM 499 C ASP A 36 1.514 -0.909 -19.319 1.00 0.00 C ATOM 500 O ASP A 36 2.450 -1.120 -20.101 1.00 0.00 O ATOM 501 CB ASP A 36 -0.732 -0.049 -20.274 1.00 0.00 C ATOM 502 CG ASP A 36 -0.631 -0.088 -21.808 1.00 0.00 C ATOM 503 OD1 ASP A 36 0.441 -0.456 -22.336 1.00 0.00 O ATOM 504 OD2 ASP A 36 -1.625 0.252 -22.488 1.00 0.00 O ATOM 0 H ASP A 36 2.247 1.094 -20.538 1.00 0.00 H new ATOM 0 HA ASP A 36 0.253 0.661 -18.530 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.073 -1.025 -19.928 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.501 0.673 -19.999 1.00 0.00 H new ATOM 509 N ILE A 37 1.249 -1.716 -18.273 1.00 0.00 N ATOM 510 CA ILE A 37 2.092 -2.873 -17.870 1.00 0.00 C ATOM 511 C ILE A 37 1.198 -4.139 -17.763 1.00 0.00 C ATOM 512 O ILE A 37 0.330 -4.219 -16.880 1.00 0.00 O ATOM 513 CB ILE A 37 2.942 -2.621 -16.568 1.00 0.00 C ATOM 514 CG1 ILE A 37 2.990 -1.140 -16.075 1.00 0.00 C ATOM 515 CG2 ILE A 37 4.363 -3.223 -16.704 1.00 0.00 C ATOM 516 CD1 ILE A 37 4.180 -0.773 -15.173 1.00 0.00 C ATOM 0 H ILE A 37 0.435 -1.586 -17.673 1.00 0.00 H new ATOM 0 HA ILE A 37 2.841 -3.026 -18.647 1.00 0.00 H new ATOM 0 HB ILE A 37 2.404 -3.148 -15.780 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.005 -0.487 -16.947 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.068 -0.927 -15.533 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.927 -3.034 -15.791 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.289 -4.298 -16.869 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.874 -2.761 -17.549 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.112 0.278 -14.891 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.161 -1.392 -14.276 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.112 -0.944 -15.712 1.00 0.00 H new ATOM 528 N SER A 38 1.414 -5.123 -18.655 1.00 0.00 N ATOM 529 CA SER A 38 0.642 -6.394 -18.661 1.00 0.00 C ATOM 530 C SER A 38 1.161 -7.329 -17.535 1.00 0.00 C ATOM 531 O SER A 38 1.753 -6.865 -16.553 1.00 0.00 O ATOM 532 CB SER A 38 0.736 -7.046 -20.060 1.00 0.00 C ATOM 533 OG SER A 38 -0.536 -7.501 -20.509 1.00 0.00 O ATOM 0 H SER A 38 2.121 -5.068 -19.389 1.00 0.00 H new ATOM 0 HA SER A 38 -0.411 -6.199 -18.459 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.138 -6.326 -20.772 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.432 -7.884 -20.026 1.00 0.00 H new ATOM 0 HG SER A 38 -0.444 -7.906 -21.396 1.00 0.00 H new ATOM 539 N THR A 39 0.922 -8.644 -17.697 1.00 0.00 N ATOM 540 CA THR A 39 1.345 -9.681 -16.720 1.00 0.00 C ATOM 541 C THR A 39 2.859 -9.966 -16.916 1.00 0.00 C ATOM 542 O THR A 39 3.660 -9.802 -15.986 1.00 0.00 O ATOM 543 CB THR A 39 0.471 -10.972 -16.820 1.00 0.00 C ATOM 544 OG1 THR A 39 0.002 -11.160 -18.153 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.746 -11.018 -15.877 1.00 0.00 C ATOM 0 H THR A 39 0.431 -9.024 -18.506 1.00 0.00 H new ATOM 0 HA THR A 39 1.189 -9.308 -15.708 1.00 0.00 H new ATOM 0 HB THR A 39 1.144 -11.771 -16.509 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.542 -11.974 -18.197 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.285 -11.954 -16.025 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.408 -10.953 -14.843 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.407 -10.180 -16.095 1.00 0.00 H new ATOM 553 N LYS A 40 3.238 -10.398 -18.134 1.00 0.00 N ATOM 554 CA LYS A 40 4.650 -10.717 -18.477 1.00 0.00 C ATOM 555 C LYS A 40 5.544 -9.510 -18.080 1.00 0.00 C ATOM 556 O LYS A 40 6.618 -9.686 -17.492 1.00 0.00 O ATOM 557 CB LYS A 40 4.739 -11.095 -19.984 1.00 0.00 C ATOM 558 CG LYS A 40 6.162 -11.234 -20.583 1.00 0.00 C ATOM 559 CD LYS A 40 7.093 -12.348 -20.047 1.00 0.00 C ATOM 560 CE LYS A 40 7.994 -13.058 -21.080 1.00 0.00 C ATOM 561 NZ LYS A 40 8.937 -12.156 -21.766 1.00 0.00 N ATOM 0 H LYS A 40 2.586 -10.537 -18.906 1.00 0.00 H new ATOM 0 HA LYS A 40 5.015 -11.580 -17.921 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.215 -12.039 -20.130 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.201 -10.340 -20.557 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.054 -11.383 -21.657 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.673 -10.282 -20.443 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.733 -11.915 -19.278 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.475 -13.102 -19.560 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.558 -13.844 -20.577 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.364 -13.544 -21.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.508 -12.701 -22.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.406 -11.420 -22.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.563 -11.710 -21.065 1.00 0.00 H new ATOM 575 N GLU A 41 5.084 -8.290 -18.415 1.00 0.00 N ATOM 576 CA GLU A 41 5.865 -7.042 -18.210 1.00 0.00 C ATOM 577 C GLU A 41 6.220 -6.903 -16.704 1.00 0.00 C ATOM 578 O GLU A 41 7.344 -6.522 -16.354 1.00 0.00 O ATOM 579 CB GLU A 41 5.101 -5.804 -18.763 1.00 0.00 C ATOM 580 CG GLU A 41 4.340 -5.966 -20.102 1.00 0.00 C ATOM 581 CD GLU A 41 4.284 -4.692 -20.951 1.00 0.00 C ATOM 582 OE1 GLU A 41 5.355 -4.128 -21.268 1.00 0.00 O ATOM 583 OE2 GLU A 41 3.169 -4.251 -21.308 1.00 0.00 O ATOM 0 H GLU A 41 4.167 -8.135 -18.833 1.00 0.00 H new ATOM 0 HA GLU A 41 6.797 -7.096 -18.773 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.384 -5.487 -18.006 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.819 -4.992 -18.881 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.815 -6.756 -20.684 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.322 -6.294 -19.891 1.00 0.00 H new ATOM 590 N LEU A 42 5.239 -7.189 -15.829 1.00 0.00 N ATOM 591 CA LEU A 42 5.377 -7.000 -14.360 1.00 0.00 C ATOM 592 C LEU A 42 6.452 -7.994 -13.844 1.00 0.00 C ATOM 593 O LEU A 42 7.258 -7.662 -12.966 1.00 0.00 O ATOM 594 CB LEU A 42 4.008 -7.203 -13.643 1.00 0.00 C ATOM 595 CG LEU A 42 4.017 -7.955 -12.279 1.00 0.00 C ATOM 596 CD1 LEU A 42 5.031 -7.327 -11.302 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.621 -8.009 -11.625 1.00 0.00 C ATOM 0 H LEU A 42 4.330 -7.556 -16.111 1.00 0.00 H new ATOM 0 HA LEU A 42 5.693 -5.981 -14.138 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.563 -6.221 -13.483 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.349 -7.745 -14.322 1.00 0.00 H new ATOM 0 HG LEU A 42 4.320 -8.979 -12.497 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.014 -7.874 -10.359 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.031 -7.378 -11.733 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.766 -6.285 -11.122 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.684 -8.544 -10.677 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.263 -6.995 -11.446 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.928 -8.526 -12.289 1.00 0.00 H new ATOM 609 N GLY A 43 6.431 -9.228 -14.383 1.00 0.00 N ATOM 610 CA GLY A 43 7.314 -10.330 -13.926 1.00 0.00 C ATOM 611 C GLY A 43 8.788 -9.859 -13.828 1.00 0.00 C ATOM 612 O GLY A 43 9.567 -10.394 -13.026 1.00 0.00 O ATOM 0 H GLY A 43 5.806 -9.493 -15.144 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.978 -10.690 -12.953 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.242 -11.169 -14.618 1.00 0.00 H new ATOM 616 N THR A 44 9.160 -8.864 -14.654 1.00 0.00 N ATOM 617 CA THR A 44 10.561 -8.378 -14.768 1.00 0.00 C ATOM 618 C THR A 44 10.976 -7.701 -13.432 1.00 0.00 C ATOM 619 O THR A 44 11.740 -8.274 -12.646 1.00 0.00 O ATOM 620 CB THR A 44 10.757 -7.441 -16.001 1.00 0.00 C ATOM 621 OG1 THR A 44 11.321 -8.159 -17.095 1.00 0.00 O ATOM 622 CG2 THR A 44 11.630 -6.197 -15.748 1.00 0.00 C ATOM 0 H THR A 44 8.506 -8.371 -15.262 1.00 0.00 H new ATOM 0 HA THR A 44 11.220 -9.228 -14.944 1.00 0.00 H new ATOM 0 HB THR A 44 9.752 -7.085 -16.225 1.00 0.00 H new ATOM 0 HG1 THR A 44 11.435 -7.555 -17.859 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.705 -5.612 -16.665 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.178 -5.588 -14.965 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.626 -6.509 -15.435 1.00 0.00 H new ATOM 630 N VAL A 45 10.483 -6.469 -13.209 1.00 0.00 N ATOM 631 CA VAL A 45 10.870 -5.626 -12.045 1.00 0.00 C ATOM 632 C VAL A 45 10.679 -6.476 -10.760 1.00 0.00 C ATOM 633 O VAL A 45 11.554 -6.492 -9.882 1.00 0.00 O ATOM 634 CB VAL A 45 10.089 -4.263 -12.022 1.00 0.00 C ATOM 635 CG1 VAL A 45 9.401 -3.985 -10.663 1.00 0.00 C ATOM 636 CG2 VAL A 45 10.955 -3.030 -12.383 1.00 0.00 C ATOM 0 H VAL A 45 9.805 -6.023 -13.826 1.00 0.00 H new ATOM 0 HA VAL A 45 11.917 -5.333 -12.117 1.00 0.00 H new ATOM 0 HB VAL A 45 9.335 -4.396 -12.798 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.878 -3.030 -10.709 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.687 -4.780 -10.447 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.153 -3.949 -9.875 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.341 -2.130 -12.344 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.776 -2.941 -11.671 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.359 -3.151 -13.388 1.00 0.00 H new ATOM 646 N MET A 46 9.521 -7.152 -10.645 1.00 0.00 N ATOM 647 CA MET A 46 9.136 -7.913 -9.425 1.00 0.00 C ATOM 648 C MET A 46 10.319 -8.842 -9.039 1.00 0.00 C ATOM 649 O MET A 46 10.632 -9.002 -7.853 1.00 0.00 O ATOM 650 CB MET A 46 7.815 -8.702 -9.643 1.00 0.00 C ATOM 651 CG MET A 46 7.927 -9.985 -10.488 1.00 0.00 C ATOM 652 SD MET A 46 6.564 -11.105 -10.096 1.00 0.00 S ATOM 653 CE MET A 46 7.008 -11.630 -8.427 1.00 0.00 C ATOM 0 H MET A 46 8.823 -7.191 -11.388 1.00 0.00 H new ATOM 0 HA MET A 46 8.939 -7.225 -8.603 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.408 -8.968 -8.667 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.093 -8.039 -10.119 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.909 -9.734 -11.549 1.00 0.00 H new ATOM 0 HG3 MET A 46 8.880 -10.477 -10.293 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.363 -12.453 -8.121 1.00 0.00 H new ATOM 0 HE2 MET A 46 8.047 -11.959 -8.413 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.883 -10.795 -7.738 1.00 0.00 H new ATOM 663 N ARG A 47 10.950 -9.462 -10.054 1.00 0.00 N ATOM 664 CA ARG A 47 12.101 -10.382 -9.857 1.00 0.00 C ATOM 665 C ARG A 47 13.248 -9.611 -9.146 1.00 0.00 C ATOM 666 O ARG A 47 13.818 -10.099 -8.163 1.00 0.00 O ATOM 667 CB ARG A 47 12.573 -10.966 -11.218 1.00 0.00 C ATOM 668 CG ARG A 47 13.311 -12.322 -11.122 1.00 0.00 C ATOM 669 CD ARG A 47 13.942 -12.766 -12.456 1.00 0.00 C ATOM 670 NE ARG A 47 12.916 -13.053 -13.493 1.00 0.00 N ATOM 671 CZ ARG A 47 12.616 -12.241 -14.529 1.00 0.00 C ATOM 672 NH1 ARG A 47 13.216 -11.074 -14.761 1.00 0.00 N ATOM 673 NH2 ARG A 47 11.672 -12.628 -15.366 1.00 0.00 N ATOM 0 H ARG A 47 10.683 -9.344 -11.031 1.00 0.00 H new ATOM 0 HA ARG A 47 11.797 -11.222 -9.232 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.705 -11.086 -11.866 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.232 -10.243 -11.698 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.091 -12.251 -10.364 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.610 -13.087 -10.787 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.613 -11.986 -12.817 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.549 -13.656 -12.291 1.00 0.00 H new ATOM 0 HE ARG A 47 12.400 -13.929 -13.416 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.952 -10.746 -14.135 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.940 -10.509 -15.564 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.194 -13.517 -15.220 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.421 -12.038 -16.159 1.00 0.00 H new ATOM 687 N MET A 48 13.587 -8.422 -9.681 1.00 0.00 N ATOM 688 CA MET A 48 14.702 -7.587 -9.159 1.00 0.00 C ATOM 689 C MET A 48 14.535 -7.457 -7.619 1.00 0.00 C ATOM 690 O MET A 48 15.530 -7.338 -6.890 1.00 0.00 O ATOM 691 CB MET A 48 14.759 -6.197 -9.857 1.00 0.00 C ATOM 692 CG MET A 48 15.870 -6.021 -10.910 1.00 0.00 C ATOM 693 SD MET A 48 16.612 -4.381 -10.760 1.00 0.00 S ATOM 694 CE MET A 48 15.507 -3.397 -11.793 1.00 0.00 C ATOM 0 H MET A 48 13.105 -8.011 -10.480 1.00 0.00 H new ATOM 0 HA MET A 48 15.654 -8.069 -9.381 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.798 -6.012 -10.336 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.886 -5.432 -9.091 1.00 0.00 H new ATOM 0 HG2 MET A 48 16.633 -6.788 -10.777 1.00 0.00 H new ATOM 0 HG3 MET A 48 15.458 -6.152 -11.910 1.00 0.00 H new ATOM 0 HE1 MET A 48 15.840 -2.359 -11.797 1.00 0.00 H new ATOM 0 HE2 MET A 48 15.519 -3.786 -12.811 1.00 0.00 H new ATOM 0 HE3 MET A 48 14.493 -3.451 -11.396 1.00 0.00 H new ATOM 704 N LEU A 49 13.277 -7.448 -7.143 1.00 0.00 N ATOM 705 CA LEU A 49 12.942 -7.221 -5.711 1.00 0.00 C ATOM 706 C LEU A 49 13.841 -8.142 -4.844 1.00 0.00 C ATOM 707 O LEU A 49 14.587 -7.671 -3.977 1.00 0.00 O ATOM 708 CB LEU A 49 11.427 -7.481 -5.450 1.00 0.00 C ATOM 709 CG LEU A 49 10.854 -7.055 -4.067 1.00 0.00 C ATOM 710 CD1 LEU A 49 9.451 -6.431 -4.212 1.00 0.00 C ATOM 711 CD2 LEU A 49 10.807 -8.223 -3.061 1.00 0.00 C ATOM 0 H LEU A 49 12.459 -7.597 -7.734 1.00 0.00 H new ATOM 0 HA LEU A 49 13.132 -6.182 -5.442 1.00 0.00 H new ATOM 0 HB2 LEU A 49 10.859 -6.964 -6.223 1.00 0.00 H new ATOM 0 HB3 LEU A 49 11.242 -8.548 -5.577 1.00 0.00 H new ATOM 0 HG LEU A 49 11.539 -6.305 -3.672 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.077 -6.144 -3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.509 -5.549 -4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.774 -7.159 -4.659 1.00 0.00 H new ATOM 0 HD21 LEU A 49 10.399 -7.871 -2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 49 10.174 -9.018 -3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 49 11.815 -8.607 -2.902 1.00 0.00 H new ATOM 723 N GLY A 50 13.781 -9.462 -5.110 1.00 0.00 N ATOM 724 CA GLY A 50 14.637 -10.460 -4.420 1.00 0.00 C ATOM 725 C GLY A 50 13.892 -11.814 -4.295 1.00 0.00 C ATOM 726 O GLY A 50 13.736 -12.350 -3.190 1.00 0.00 O ATOM 0 H GLY A 50 13.148 -9.867 -5.799 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.565 -10.598 -4.974 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.908 -10.094 -3.430 1.00 0.00 H new ATOM 730 N GLN A 51 13.462 -12.366 -5.445 1.00 0.00 N ATOM 731 CA GLN A 51 12.700 -13.641 -5.511 1.00 0.00 C ATOM 732 C GLN A 51 12.874 -14.238 -6.934 1.00 0.00 C ATOM 733 O GLN A 51 13.760 -13.821 -7.690 1.00 0.00 O ATOM 734 CB GLN A 51 11.208 -13.396 -5.144 1.00 0.00 C ATOM 735 CG GLN A 51 10.755 -13.901 -3.752 1.00 0.00 C ATOM 736 CD GLN A 51 9.290 -14.368 -3.688 1.00 0.00 C ATOM 737 OE1 GLN A 51 8.994 -15.558 -3.794 1.00 0.00 O ATOM 738 NE2 GLN A 51 8.349 -13.453 -3.511 1.00 0.00 N ATOM 0 H GLN A 51 13.630 -11.945 -6.359 1.00 0.00 H new ATOM 0 HA GLN A 51 13.081 -14.360 -4.786 1.00 0.00 H new ATOM 0 HB2 GLN A 51 11.013 -12.325 -5.200 1.00 0.00 H new ATOM 0 HB3 GLN A 51 10.586 -13.874 -5.901 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.400 -14.727 -3.452 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.901 -13.102 -3.025 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.604 -12.469 -3.424 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.369 -13.732 -3.461 1.00 0.00 H new ATOM 747 N ASN A 52 12.007 -15.205 -7.287 1.00 0.00 N ATOM 748 CA ASN A 52 11.968 -15.801 -8.649 1.00 0.00 C ATOM 749 C ASN A 52 10.503 -16.243 -9.011 1.00 0.00 C ATOM 750 O ASN A 52 10.130 -17.368 -8.659 1.00 0.00 O ATOM 751 CB ASN A 52 12.976 -16.982 -8.710 1.00 0.00 C ATOM 752 CG ASN A 52 13.521 -17.294 -10.121 1.00 0.00 C ATOM 753 OD1 ASN A 52 12.788 -17.263 -11.109 1.00 0.00 O ATOM 754 ND2 ASN A 52 14.807 -17.590 -10.245 1.00 0.00 N ATOM 0 H ASN A 52 11.316 -15.597 -6.647 1.00 0.00 H new ATOM 0 HA ASN A 52 12.264 -15.063 -9.394 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.816 -16.759 -8.052 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.492 -17.876 -8.317 1.00 0.00 H new ATOM 0 HD21 ASN A 52 15.197 -17.795 -11.165 1.00 0.00 H new ATOM 0 HD22 ASN A 52 15.407 -17.613 -9.420 1.00 0.00 H new ATOM 761 N PRO A 53 9.635 -15.403 -9.657 1.00 0.00 N ATOM 762 CA PRO A 53 8.213 -15.743 -9.921 1.00 0.00 C ATOM 763 C PRO A 53 8.057 -16.712 -11.125 1.00 0.00 C ATOM 764 O PRO A 53 9.049 -17.203 -11.676 1.00 0.00 O ATOM 765 CB PRO A 53 7.586 -14.352 -10.147 1.00 0.00 C ATOM 766 CG PRO A 53 8.708 -13.469 -10.698 1.00 0.00 C ATOM 767 CD PRO A 53 9.981 -14.017 -10.056 1.00 0.00 C ATOM 0 HA PRO A 53 7.725 -16.292 -9.115 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.754 -14.408 -10.848 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.191 -13.946 -9.216 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.757 -13.524 -11.786 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.552 -12.422 -10.438 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.816 -14.003 -10.757 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.279 -13.420 -9.194 1.00 0.00 H new ATOM 775 N THR A 54 6.796 -16.991 -11.506 1.00 0.00 N ATOM 776 CA THR A 54 6.469 -17.897 -12.640 1.00 0.00 C ATOM 777 C THR A 54 5.388 -17.217 -13.525 1.00 0.00 C ATOM 778 O THR A 54 4.645 -16.346 -13.057 1.00 0.00 O ATOM 779 CB THR A 54 6.045 -19.318 -12.153 1.00 0.00 C ATOM 780 OG1 THR A 54 6.496 -20.317 -13.064 1.00 0.00 O ATOM 781 CG2 THR A 54 4.531 -19.515 -11.944 1.00 0.00 C ATOM 0 H THR A 54 5.975 -16.601 -11.044 1.00 0.00 H new ATOM 0 HA THR A 54 7.362 -18.060 -13.243 1.00 0.00 H new ATOM 0 HB THR A 54 6.518 -19.416 -11.176 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.223 -21.201 -12.742 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.340 -20.533 -11.606 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.173 -18.810 -11.194 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.008 -19.341 -12.884 1.00 0.00 H new ATOM 789 N LYS A 55 5.335 -17.610 -14.811 1.00 0.00 N ATOM 790 CA LYS A 55 4.436 -16.984 -15.817 1.00 0.00 C ATOM 791 C LYS A 55 2.969 -17.238 -15.375 1.00 0.00 C ATOM 792 O LYS A 55 2.107 -16.362 -15.511 1.00 0.00 O ATOM 793 CB LYS A 55 4.740 -17.547 -17.239 1.00 0.00 C ATOM 794 CG LYS A 55 3.581 -18.256 -17.981 1.00 0.00 C ATOM 795 CD LYS A 55 3.444 -19.769 -17.693 1.00 0.00 C ATOM 796 CE LYS A 55 4.781 -20.527 -17.579 1.00 0.00 C ATOM 797 NZ LYS A 55 4.691 -21.937 -18.007 1.00 0.00 N ATOM 0 H LYS A 55 5.908 -18.365 -15.187 1.00 0.00 H new ATOM 0 HA LYS A 55 4.601 -15.908 -15.873 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.086 -16.722 -17.862 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.568 -18.251 -17.154 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.645 -17.765 -17.713 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.718 -18.117 -19.053 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.888 -19.899 -16.765 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.851 -20.224 -18.486 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.532 -20.018 -18.184 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.125 -20.489 -16.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.622 -22.390 -17.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.997 -22.436 -17.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.391 -21.979 -19.002 1.00 0.00 H new ATOM 811 N GLU A 56 2.707 -18.448 -14.846 1.00 0.00 N ATOM 812 CA GLU A 56 1.338 -18.892 -14.473 1.00 0.00 C ATOM 813 C GLU A 56 0.846 -18.019 -13.286 1.00 0.00 C ATOM 814 O GLU A 56 -0.325 -17.627 -13.232 1.00 0.00 O ATOM 815 CB GLU A 56 1.328 -20.418 -14.171 1.00 0.00 C ATOM 816 CG GLU A 56 0.567 -21.316 -15.175 1.00 0.00 C ATOM 817 CD GLU A 56 -0.952 -21.116 -15.171 1.00 0.00 C ATOM 818 OE1 GLU A 56 -1.465 -20.399 -14.283 1.00 0.00 O ATOM 819 OE2 GLU A 56 -1.638 -21.671 -16.058 1.00 0.00 O ATOM 0 H GLU A 56 3.428 -19.146 -14.664 1.00 0.00 H new ATOM 0 HA GLU A 56 0.640 -18.752 -15.299 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.361 -20.762 -14.120 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.893 -20.567 -13.183 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.945 -21.121 -16.179 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.785 -22.360 -14.949 1.00 0.00 H new ATOM 826 N GLU A 57 1.760 -17.729 -12.340 1.00 0.00 N ATOM 827 CA GLU A 57 1.429 -16.999 -11.088 1.00 0.00 C ATOM 828 C GLU A 57 1.056 -15.533 -11.441 1.00 0.00 C ATOM 829 O GLU A 57 0.218 -14.916 -10.772 1.00 0.00 O ATOM 830 CB GLU A 57 2.591 -17.091 -10.057 1.00 0.00 C ATOM 831 CG GLU A 57 2.300 -16.648 -8.601 1.00 0.00 C ATOM 832 CD GLU A 57 1.521 -17.676 -7.775 1.00 0.00 C ATOM 833 OE1 GLU A 57 0.420 -18.087 -8.203 1.00 0.00 O ATOM 834 OE2 GLU A 57 2.006 -18.075 -6.693 1.00 0.00 O ATOM 0 H GLU A 57 2.743 -17.989 -12.415 1.00 0.00 H new ATOM 0 HA GLU A 57 0.568 -17.464 -10.608 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.934 -18.125 -10.030 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.419 -16.490 -10.431 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.246 -16.439 -8.101 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.737 -15.715 -8.623 1.00 0.00 H new ATOM 841 N LEU A 58 1.712 -14.980 -12.479 1.00 0.00 N ATOM 842 CA LEU A 58 1.551 -13.556 -12.874 1.00 0.00 C ATOM 843 C LEU A 58 0.054 -13.288 -13.189 1.00 0.00 C ATOM 844 O LEU A 58 -0.461 -12.197 -12.920 1.00 0.00 O ATOM 845 CB LEU A 58 2.508 -13.258 -14.065 1.00 0.00 C ATOM 846 CG LEU A 58 3.983 -12.918 -13.707 1.00 0.00 C ATOM 847 CD1 LEU A 58 4.936 -13.011 -14.918 1.00 0.00 C ATOM 848 CD2 LEU A 58 4.077 -11.515 -13.076 1.00 0.00 C ATOM 0 H LEU A 58 2.365 -15.498 -13.067 1.00 0.00 H new ATOM 0 HA LEU A 58 1.827 -12.875 -12.069 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.509 -14.125 -14.726 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.095 -12.425 -14.633 1.00 0.00 H new ATOM 0 HG LEU A 58 4.305 -13.670 -12.986 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.950 -12.762 -14.603 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.919 -14.025 -15.318 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.614 -12.311 -15.689 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.116 -11.295 -12.832 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.705 -10.773 -13.782 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.477 -11.484 -12.167 1.00 0.00 H new ATOM 860 N ASP A 59 -0.627 -14.304 -13.751 1.00 0.00 N ATOM 861 CA ASP A 59 -2.045 -14.193 -14.185 1.00 0.00 C ATOM 862 C ASP A 59 -2.913 -13.801 -12.958 1.00 0.00 C ATOM 863 O ASP A 59 -3.831 -12.980 -13.070 1.00 0.00 O ATOM 864 CB ASP A 59 -2.538 -15.497 -14.876 1.00 0.00 C ATOM 865 CG ASP A 59 -4.015 -15.518 -15.306 1.00 0.00 C ATOM 866 OD1 ASP A 59 -4.885 -15.838 -14.465 1.00 0.00 O ATOM 867 OD2 ASP A 59 -4.309 -15.211 -16.482 1.00 0.00 O ATOM 0 H ASP A 59 -0.218 -15.223 -13.919 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.137 -13.412 -14.939 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.921 -15.672 -15.758 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.367 -16.332 -14.196 1.00 0.00 H new ATOM 872 N ALA A 60 -2.609 -14.403 -11.793 1.00 0.00 N ATOM 873 CA ALA A 60 -3.381 -14.185 -10.541 1.00 0.00 C ATOM 874 C ALA A 60 -3.001 -12.814 -9.915 1.00 0.00 C ATOM 875 O ALA A 60 -3.845 -12.141 -9.313 1.00 0.00 O ATOM 876 CB ALA A 60 -3.115 -15.354 -9.573 1.00 0.00 C ATOM 0 H ALA A 60 -1.828 -15.051 -11.686 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.449 -14.159 -10.757 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.678 -15.200 -8.653 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.427 -16.289 -10.037 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.051 -15.401 -9.343 1.00 0.00 H new ATOM 882 N ILE A 61 -1.723 -12.424 -10.073 1.00 0.00 N ATOM 883 CA ILE A 61 -1.161 -11.197 -9.448 1.00 0.00 C ATOM 884 C ILE A 61 -1.992 -10.007 -10.006 1.00 0.00 C ATOM 885 O ILE A 61 -2.349 -9.086 -9.260 1.00 0.00 O ATOM 886 CB ILE A 61 0.393 -11.081 -9.670 1.00 0.00 C ATOM 887 CG1 ILE A 61 1.219 -11.678 -8.486 1.00 0.00 C ATOM 888 CG2 ILE A 61 0.848 -9.623 -9.952 1.00 0.00 C ATOM 889 CD1 ILE A 61 2.305 -10.763 -7.897 1.00 0.00 C ATOM 0 H ILE A 61 -1.047 -12.943 -10.634 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.250 -11.213 -8.362 1.00 0.00 H new ATOM 0 HB ILE A 61 0.598 -11.679 -10.558 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.529 -11.951 -7.688 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.692 -12.599 -8.826 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.928 -9.601 -10.097 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.353 -9.255 -10.851 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.583 -8.989 -9.106 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.814 -11.279 -7.083 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.027 -10.509 -8.673 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.845 -9.851 -7.517 1.00 0.00 H new ATOM 901 N ILE A 62 -2.288 -10.044 -11.319 1.00 0.00 N ATOM 902 CA ILE A 62 -2.978 -8.939 -12.039 1.00 0.00 C ATOM 903 C ILE A 62 -4.461 -8.980 -11.578 1.00 0.00 C ATOM 904 O ILE A 62 -5.109 -7.933 -11.455 1.00 0.00 O ATOM 905 CB ILE A 62 -2.765 -9.029 -13.596 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.501 -8.247 -14.078 1.00 0.00 C ATOM 907 CG2 ILE A 62 -4.013 -8.567 -14.397 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.287 -8.194 -15.600 1.00 0.00 C ATOM 0 H ILE A 62 -2.059 -10.838 -11.917 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.558 -7.964 -11.793 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.604 -10.088 -13.800 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.564 -7.225 -13.703 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.621 -8.700 -13.622 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.811 -8.650 -15.465 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.865 -9.197 -14.139 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.240 -7.530 -14.150 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.382 -7.627 -15.821 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.184 -9.207 -15.989 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.142 -7.710 -16.071 1.00 0.00 H new ATOM 920 N GLU A 63 -4.990 -10.198 -11.353 1.00 0.00 N ATOM 921 CA GLU A 63 -6.396 -10.405 -10.911 1.00 0.00 C ATOM 922 C GLU A 63 -6.687 -9.440 -9.729 1.00 0.00 C ATOM 923 O GLU A 63 -7.672 -8.692 -9.752 1.00 0.00 O ATOM 924 CB GLU A 63 -6.646 -11.901 -10.565 1.00 0.00 C ATOM 925 CG GLU A 63 -8.124 -12.350 -10.468 1.00 0.00 C ATOM 926 CD GLU A 63 -8.389 -13.405 -9.389 1.00 0.00 C ATOM 927 OE1 GLU A 63 -7.429 -14.072 -8.945 1.00 0.00 O ATOM 928 OE2 GLU A 63 -9.559 -13.568 -8.978 1.00 0.00 O ATOM 0 H GLU A 63 -4.465 -11.065 -11.469 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.094 -10.169 -11.714 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.153 -12.513 -11.320 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.161 -12.117 -9.613 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.745 -11.477 -10.267 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.436 -12.748 -11.434 1.00 0.00 H new ATOM 935 N GLU A 64 -5.808 -9.462 -8.709 1.00 0.00 N ATOM 936 CA GLU A 64 -5.991 -8.671 -7.463 1.00 0.00 C ATOM 937 C GLU A 64 -5.894 -7.163 -7.821 1.00 0.00 C ATOM 938 O GLU A 64 -6.597 -6.329 -7.238 1.00 0.00 O ATOM 939 CB GLU A 64 -4.968 -9.123 -6.382 1.00 0.00 C ATOM 940 CG GLU A 64 -5.557 -9.694 -5.070 1.00 0.00 C ATOM 941 CD GLU A 64 -6.220 -11.066 -5.224 1.00 0.00 C ATOM 942 OE1 GLU A 64 -7.344 -11.138 -5.769 1.00 0.00 O ATOM 943 OE2 GLU A 64 -5.622 -12.079 -4.799 1.00 0.00 O ATOM 0 H GLU A 64 -4.955 -10.022 -8.718 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.975 -8.844 -7.027 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.319 -9.880 -6.822 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.338 -8.270 -6.130 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.760 -9.769 -4.330 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.291 -8.990 -4.678 1.00 0.00 H new ATOM 950 N VAL A 65 -5.024 -6.834 -8.795 1.00 0.00 N ATOM 951 CA VAL A 65 -4.739 -5.430 -9.194 1.00 0.00 C ATOM 952 C VAL A 65 -5.512 -5.155 -10.514 1.00 0.00 C ATOM 953 O VAL A 65 -4.982 -4.515 -11.432 1.00 0.00 O ATOM 954 CB VAL A 65 -3.197 -5.148 -9.292 1.00 0.00 C ATOM 955 CG1 VAL A 65 -2.469 -5.319 -7.937 1.00 0.00 C ATOM 956 CG2 VAL A 65 -2.459 -6.010 -10.346 1.00 0.00 C ATOM 0 H VAL A 65 -4.498 -7.526 -9.329 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.086 -4.733 -8.431 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.154 -4.106 -9.609 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.407 -5.111 -8.066 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.889 -4.625 -7.208 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.598 -6.341 -7.581 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.400 -5.753 -10.349 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.575 -7.065 -10.099 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.882 -5.819 -11.332 1.00 0.00 H new ATOM 966 N ASP A 66 -6.764 -5.643 -10.595 1.00 0.00 N ATOM 967 CA ASP A 66 -7.629 -5.460 -11.791 1.00 0.00 C ATOM 968 C ASP A 66 -9.112 -5.424 -11.330 1.00 0.00 C ATOM 969 O ASP A 66 -9.885 -6.351 -11.600 1.00 0.00 O ATOM 970 CB ASP A 66 -7.360 -6.552 -12.867 1.00 0.00 C ATOM 971 CG ASP A 66 -7.970 -6.295 -14.256 1.00 0.00 C ATOM 972 OD1 ASP A 66 -7.794 -5.182 -14.799 1.00 0.00 O ATOM 973 OD2 ASP A 66 -8.620 -7.210 -14.809 1.00 0.00 O ATOM 0 H ASP A 66 -7.208 -6.172 -9.844 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.392 -4.513 -12.275 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.282 -6.664 -12.981 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.742 -7.503 -12.495 1.00 0.00 H new ATOM 978 N GLU A 67 -9.479 -4.350 -10.606 1.00 0.00 N ATOM 979 CA GLU A 67 -10.865 -4.121 -10.119 1.00 0.00 C ATOM 980 C GLU A 67 -11.724 -3.556 -11.283 1.00 0.00 C ATOM 981 O GLU A 67 -12.944 -3.763 -11.321 1.00 0.00 O ATOM 982 CB GLU A 67 -10.848 -3.205 -8.860 1.00 0.00 C ATOM 983 CG GLU A 67 -11.827 -3.580 -7.722 1.00 0.00 C ATOM 984 CD GLU A 67 -11.312 -3.251 -6.317 1.00 0.00 C ATOM 985 OE1 GLU A 67 -10.310 -3.861 -5.882 1.00 0.00 O ATOM 986 OE2 GLU A 67 -11.910 -2.385 -5.641 1.00 0.00 O ATOM 0 H GLU A 67 -8.827 -3.612 -10.339 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.323 -5.058 -9.804 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.837 -3.202 -8.453 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.067 -2.185 -9.177 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.770 -3.058 -7.883 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.040 -4.648 -7.778 1.00 0.00 H new ATOM 993 N ASP A 68 -11.082 -2.823 -12.216 1.00 0.00 N ATOM 994 CA ASP A 68 -11.777 -2.176 -13.362 1.00 0.00 C ATOM 995 C ASP A 68 -12.020 -3.238 -14.468 1.00 0.00 C ATOM 996 O ASP A 68 -13.063 -3.237 -15.134 1.00 0.00 O ATOM 997 CB ASP A 68 -10.999 -0.934 -13.891 1.00 0.00 C ATOM 998 CG ASP A 68 -9.923 -1.215 -14.954 1.00 0.00 C ATOM 999 OD1 ASP A 68 -8.988 -1.999 -14.678 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -10.016 -0.657 -16.070 1.00 0.00 O ATOM 0 H ASP A 68 -10.075 -2.660 -12.202 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.741 -1.793 -13.026 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.719 -0.230 -14.308 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.524 -0.440 -13.044 1.00 0.00 H new ATOM 1005 N GLY A 69 -11.043 -4.148 -14.656 1.00 0.00 N ATOM 1006 CA GLY A 69 -11.137 -5.224 -15.675 1.00 0.00 C ATOM 1007 C GLY A 69 -10.555 -4.736 -17.027 1.00 0.00 C ATOM 1008 O GLY A 69 -11.190 -3.949 -17.740 1.00 0.00 O ATOM 0 H GLY A 69 -10.177 -4.163 -14.117 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.594 -6.105 -15.334 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.178 -5.521 -15.805 1.00 0.00 H new ATOM 1012 N SER A 70 -9.343 -5.216 -17.361 1.00 0.00 N ATOM 1013 CA SER A 70 -8.624 -4.832 -18.605 1.00 0.00 C ATOM 1014 C SER A 70 -7.479 -5.842 -18.883 1.00 0.00 C ATOM 1015 O SER A 70 -7.311 -6.326 -20.008 1.00 0.00 O ATOM 1016 CB SER A 70 -8.110 -3.380 -18.474 1.00 0.00 C ATOM 1017 OG SER A 70 -7.691 -3.094 -17.144 1.00 0.00 O ATOM 0 H SER A 70 -8.829 -5.880 -16.782 1.00 0.00 H new ATOM 0 HA SER A 70 -9.300 -4.867 -19.459 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.278 -3.224 -19.160 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.898 -2.686 -18.766 1.00 0.00 H new ATOM 0 HG SER A 70 -8.446 -2.733 -16.634 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.709 -6.179 -17.827 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.600 -7.161 -17.925 1.00 0.00 C ATOM 1025 C GLY A 71 -4.233 -6.458 -17.720 1.00 0.00 C ATOM 1026 O GLY A 71 -3.285 -7.060 -17.199 1.00 0.00 O ATOM 0 H GLY A 71 -6.833 -5.787 -16.894 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.730 -7.942 -17.176 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.623 -7.648 -18.900 1.00 0.00 H new ATOM 1030 N THR A 72 -4.151 -5.181 -18.141 1.00 0.00 N ATOM 1031 CA THR A 72 -2.895 -4.386 -18.108 1.00 0.00 C ATOM 1032 C THR A 72 -2.899 -3.499 -16.834 1.00 0.00 C ATOM 1033 O THR A 72 -3.793 -3.615 -15.984 1.00 0.00 O ATOM 1034 CB THR A 72 -2.688 -3.561 -19.418 1.00 0.00 C ATOM 1035 OG1 THR A 72 -3.942 -3.257 -20.024 1.00 0.00 O ATOM 1036 CG2 THR A 72 -1.796 -4.230 -20.480 1.00 0.00 C ATOM 0 H THR A 72 -4.949 -4.667 -18.514 1.00 0.00 H new ATOM 0 HA THR A 72 -2.041 -5.061 -18.060 1.00 0.00 H new ATOM 0 HB THR A 72 -2.169 -2.662 -19.087 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.793 -2.739 -20.842 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.715 -3.578 -21.350 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.804 -4.405 -20.064 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.237 -5.181 -20.779 1.00 0.00 H new ATOM 1044 N ILE A 73 -1.910 -2.592 -16.725 1.00 0.00 N ATOM 1045 CA ILE A 73 -1.763 -1.662 -15.572 1.00 0.00 C ATOM 1046 C ILE A 73 -1.486 -0.260 -16.182 1.00 0.00 C ATOM 1047 O ILE A 73 -0.368 0.260 -16.082 1.00 0.00 O ATOM 1048 CB ILE A 73 -0.678 -2.164 -14.546 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -0.908 -3.644 -14.101 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -0.567 -1.246 -13.299 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -1.539 -3.836 -12.712 1.00 0.00 C ATOM 0 H ILE A 73 -1.184 -2.477 -17.433 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.667 -1.614 -14.965 1.00 0.00 H new ATOM 0 HB ILE A 73 0.268 -2.118 -15.086 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.546 -4.130 -14.839 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.051 -4.162 -14.118 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.195 -1.638 -12.625 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.291 -0.239 -13.612 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.527 -1.215 -12.783 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.652 -4.901 -12.508 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.896 -3.388 -11.955 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.517 -3.356 -12.687 1.00 0.00 H new ATOM 1063 N ASP A 74 -2.519 0.344 -16.800 1.00 0.00 N ATOM 1064 CA ASP A 74 -2.412 1.684 -17.436 1.00 0.00 C ATOM 1065 C ASP A 74 -2.006 2.721 -16.353 1.00 0.00 C ATOM 1066 O ASP A 74 -2.170 2.476 -15.151 1.00 0.00 O ATOM 1067 CB ASP A 74 -3.724 2.075 -18.176 1.00 0.00 C ATOM 1068 CG ASP A 74 -4.990 1.298 -17.776 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -5.639 1.672 -16.774 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -5.336 0.311 -18.462 1.00 0.00 O ATOM 0 H ASP A 74 -3.446 -0.074 -16.876 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.639 1.663 -18.204 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.907 3.137 -18.010 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.565 1.943 -19.246 1.00 0.00 H new ATOM 1075 N PHE A 75 -1.504 3.889 -16.797 1.00 0.00 N ATOM 1076 CA PHE A 75 -1.078 4.987 -15.888 1.00 0.00 C ATOM 1077 C PHE A 75 -2.301 5.471 -15.062 1.00 0.00 C ATOM 1078 O PHE A 75 -2.140 5.983 -13.945 1.00 0.00 O ATOM 1079 CB PHE A 75 -0.429 6.146 -16.701 1.00 0.00 C ATOM 1080 CG PHE A 75 0.395 7.152 -15.873 1.00 0.00 C ATOM 1081 CD1 PHE A 75 1.653 6.794 -15.375 1.00 0.00 C ATOM 1082 CD2 PHE A 75 -0.101 8.438 -15.622 1.00 0.00 C ATOM 1083 CE1 PHE A 75 2.392 7.700 -14.617 1.00 0.00 C ATOM 1084 CE2 PHE A 75 0.640 9.340 -14.862 1.00 0.00 C ATOM 1085 CZ PHE A 75 1.879 8.966 -14.350 1.00 0.00 C ATOM 0 H PHE A 75 -1.380 4.104 -17.786 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.321 4.621 -15.195 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.217 5.714 -17.465 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.218 6.689 -17.221 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.053 5.812 -15.579 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.062 8.731 -16.019 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.363 7.420 -14.237 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.253 10.330 -14.670 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.443 9.660 -13.744 1.00 0.00 H new ATOM 1095 N GLU A 76 -3.513 5.326 -15.628 1.00 0.00 N ATOM 1096 CA GLU A 76 -4.775 5.770 -14.979 1.00 0.00 C ATOM 1097 C GLU A 76 -5.370 4.590 -14.162 1.00 0.00 C ATOM 1098 O GLU A 76 -6.574 4.319 -14.229 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.777 6.337 -16.026 1.00 0.00 C ATOM 1100 CG GLU A 76 -5.663 5.823 -17.483 1.00 0.00 C ATOM 1101 CD GLU A 76 -6.368 6.704 -18.519 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -6.460 7.933 -18.305 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -6.830 6.172 -19.553 1.00 0.00 O ATOM 0 H GLU A 76 -3.652 4.900 -16.544 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.565 6.589 -14.291 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.786 6.125 -15.673 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.667 7.421 -16.043 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.608 5.745 -17.747 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.080 4.817 -17.535 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.499 3.890 -13.410 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.896 2.747 -12.545 1.00 0.00 C ATOM 1112 C GLU A 77 -3.824 2.547 -11.440 1.00 0.00 C ATOM 1113 O GLU A 77 -4.157 2.287 -10.277 1.00 0.00 O ATOM 1114 CB GLU A 77 -5.119 1.447 -13.371 1.00 0.00 C ATOM 1115 CG GLU A 77 -5.052 0.114 -12.589 1.00 0.00 C ATOM 1116 CD GLU A 77 -5.636 -1.068 -13.366 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -6.399 -0.840 -14.331 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -5.332 -2.231 -13.020 1.00 0.00 O ATOM 0 H GLU A 77 -3.500 4.095 -13.380 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.852 2.977 -12.075 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.095 1.512 -13.853 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.373 1.415 -14.165 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.013 -0.101 -12.338 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.591 0.224 -11.648 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.539 2.668 -11.823 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.393 2.503 -10.889 1.00 0.00 C ATOM 1127 C PHE A 78 -1.545 3.522 -9.728 1.00 0.00 C ATOM 1128 O PHE A 78 -1.256 3.207 -8.568 1.00 0.00 O ATOM 1129 CB PHE A 78 -0.041 2.662 -11.650 1.00 0.00 C ATOM 1130 CG PHE A 78 1.224 2.486 -10.785 1.00 0.00 C ATOM 1131 CD1 PHE A 78 1.708 1.208 -10.483 1.00 0.00 C ATOM 1132 CD2 PHE A 78 1.930 3.609 -10.335 1.00 0.00 C ATOM 1133 CE1 PHE A 78 2.883 1.056 -9.751 1.00 0.00 C ATOM 1134 CE2 PHE A 78 3.106 3.455 -9.605 1.00 0.00 C ATOM 1135 CZ PHE A 78 3.580 2.179 -9.311 1.00 0.00 C ATOM 0 H PHE A 78 -2.260 2.881 -12.781 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.391 1.499 -10.464 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.011 1.934 -12.461 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.014 3.651 -12.108 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.168 0.335 -10.819 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.560 4.600 -10.555 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.254 0.067 -9.524 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.650 4.325 -9.267 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.490 2.060 -8.741 1.00 0.00 H new ATOM 1145 N LEU A 79 -2.002 4.743 -10.063 1.00 0.00 N ATOM 1146 CA LEU A 79 -2.103 5.869 -9.097 1.00 0.00 C ATOM 1147 C LEU A 79 -3.210 5.527 -8.061 1.00 0.00 C ATOM 1148 O LEU A 79 -3.026 5.729 -6.854 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.400 7.210 -9.835 1.00 0.00 C ATOM 1150 CG LEU A 79 -1.181 8.043 -10.328 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -0.695 7.557 -11.708 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -1.481 9.555 -10.380 1.00 0.00 C ATOM 0 H LEU A 79 -2.312 4.983 -11.005 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.154 6.002 -8.578 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.027 6.987 -10.699 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.989 7.838 -9.167 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.389 7.888 -9.596 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.157 8.158 -12.026 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.397 6.511 -11.641 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.502 7.658 -12.434 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.598 10.089 -10.730 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.310 9.738 -11.063 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.747 9.908 -9.384 1.00 0.00 H new ATOM 1164 N VAL A 80 -4.365 5.040 -8.553 1.00 0.00 N ATOM 1165 CA VAL A 80 -5.525 4.672 -7.697 1.00 0.00 C ATOM 1166 C VAL A 80 -5.025 3.647 -6.643 1.00 0.00 C ATOM 1167 O VAL A 80 -5.427 3.701 -5.473 1.00 0.00 O ATOM 1168 CB VAL A 80 -6.743 4.161 -8.547 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -7.623 3.143 -7.783 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -7.664 5.287 -9.081 1.00 0.00 C ATOM 0 H VAL A 80 -4.527 4.889 -9.549 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.912 5.548 -7.177 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.265 3.675 -9.398 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.448 2.825 -8.420 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.022 2.276 -7.509 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.019 3.609 -6.881 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.479 4.848 -9.657 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.074 5.850 -8.243 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.088 5.956 -9.720 1.00 0.00 H new ATOM 1180 N MET A 81 -4.136 2.731 -7.070 1.00 0.00 N ATOM 1181 CA MET A 81 -3.565 1.673 -6.193 1.00 0.00 C ATOM 1182 C MET A 81 -2.944 2.357 -4.944 1.00 0.00 C ATOM 1183 O MET A 81 -3.392 2.135 -3.814 1.00 0.00 O ATOM 1184 CB MET A 81 -2.530 0.800 -6.958 1.00 0.00 C ATOM 1185 CG MET A 81 -2.166 -0.543 -6.296 1.00 0.00 C ATOM 1186 SD MET A 81 -3.610 -1.629 -6.265 1.00 0.00 S ATOM 1187 CE MET A 81 -3.432 -2.499 -7.836 1.00 0.00 C ATOM 0 H MET A 81 -3.789 2.697 -8.029 1.00 0.00 H new ATOM 0 HA MET A 81 -4.353 0.991 -5.873 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.920 0.598 -7.956 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.616 1.381 -7.085 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.354 -1.020 -6.845 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.808 -0.372 -5.281 1.00 0.00 H new ATOM 0 HE1 MET A 81 -4.132 -3.334 -7.871 1.00 0.00 H new ATOM 0 HE2 MET A 81 -3.643 -1.814 -8.657 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.413 -2.875 -7.930 1.00 0.00 H new ATOM 1197 N MET A 82 -1.887 3.162 -5.168 1.00 0.00 N ATOM 1198 CA MET A 82 -1.105 3.799 -4.078 1.00 0.00 C ATOM 1199 C MET A 82 -1.970 4.842 -3.317 1.00 0.00 C ATOM 1200 O MET A 82 -1.572 5.290 -2.230 1.00 0.00 O ATOM 1201 CB MET A 82 0.187 4.436 -4.669 1.00 0.00 C ATOM 1202 CG MET A 82 1.310 3.445 -5.029 1.00 0.00 C ATOM 1203 SD MET A 82 2.082 2.759 -3.546 1.00 0.00 S ATOM 1204 CE MET A 82 2.295 4.230 -2.523 1.00 0.00 C ATOM 0 H MET A 82 -1.549 3.391 -6.103 1.00 0.00 H new ATOM 0 HA MET A 82 -0.810 3.041 -3.352 1.00 0.00 H new ATOM 0 HB2 MET A 82 -0.082 4.995 -5.565 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.578 5.156 -3.950 1.00 0.00 H new ATOM 0 HG2 MET A 82 0.903 2.637 -5.637 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.064 3.950 -5.633 1.00 0.00 H new ATOM 0 HE1 MET A 82 3.090 4.057 -1.798 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.559 5.078 -3.155 1.00 0.00 H new ATOM 0 HE3 MET A 82 1.365 4.445 -1.997 1.00 0.00 H new ATOM 1214 N VAL A 83 -3.119 5.245 -3.888 1.00 0.00 N ATOM 1215 CA VAL A 83 -3.983 6.319 -3.327 1.00 0.00 C ATOM 1216 C VAL A 83 -4.711 5.735 -2.086 1.00 0.00 C ATOM 1217 O VAL A 83 -4.832 6.408 -1.054 1.00 0.00 O ATOM 1218 CB VAL A 83 -4.954 6.914 -4.408 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -6.451 6.602 -4.158 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -4.806 8.446 -4.575 1.00 0.00 C ATOM 0 H VAL A 83 -3.482 4.840 -4.751 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.382 7.172 -3.011 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.643 6.409 -5.323 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.053 7.049 -4.949 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.602 5.522 -4.153 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.753 7.015 -3.196 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.503 8.798 -5.336 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.024 8.938 -3.627 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.786 8.682 -4.880 1.00 0.00 H new ATOM 1230 N ARG A 84 -5.216 4.494 -2.214 1.00 0.00 N ATOM 1231 CA ARG A 84 -6.036 3.831 -1.165 1.00 0.00 C ATOM 1232 C ARG A 84 -5.138 3.622 0.085 1.00 0.00 C ATOM 1233 O ARG A 84 -5.601 3.757 1.225 1.00 0.00 O ATOM 1234 CB ARG A 84 -6.607 2.482 -1.687 1.00 0.00 C ATOM 1235 CG ARG A 84 -7.589 2.604 -2.875 1.00 0.00 C ATOM 1236 CD ARG A 84 -7.701 1.301 -3.690 1.00 0.00 C ATOM 1237 NE ARG A 84 -7.189 0.131 -2.933 1.00 0.00 N ATOM 1238 CZ ARG A 84 -7.939 -0.921 -2.548 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -9.220 -0.773 -2.238 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -7.404 -2.127 -2.409 1.00 0.00 N ATOM 0 H ARG A 84 -5.071 3.918 -3.043 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.890 4.454 -0.900 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.775 1.844 -1.987 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -7.115 1.978 -0.865 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.575 2.879 -2.500 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.261 3.411 -3.531 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.743 1.131 -3.961 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.142 1.405 -4.620 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.199 0.123 -2.687 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.654 0.149 -2.289 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -9.771 -1.581 -1.949 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -6.411 -2.269 -2.594 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -7.986 -2.912 -2.117 1.00 0.00 H new ATOM 1254 N GLN A 85 -3.856 3.286 -0.148 1.00 0.00 N ATOM 1255 CA GLN A 85 -2.867 3.044 0.937 1.00 0.00 C ATOM 1256 C GLN A 85 -2.470 4.410 1.561 1.00 0.00 C ATOM 1257 O GLN A 85 -2.164 4.491 2.757 1.00 0.00 O ATOM 1258 CB GLN A 85 -1.641 2.264 0.381 1.00 0.00 C ATOM 1259 CG GLN A 85 -1.783 0.724 0.315 1.00 0.00 C ATOM 1260 CD GLN A 85 -0.501 -0.050 0.666 1.00 0.00 C ATOM 1261 OE1 GLN A 85 0.565 0.535 0.863 1.00 0.00 O ATOM 1262 NE2 GLN A 85 -0.570 -1.370 0.751 1.00 0.00 N ATOM 0 H GLN A 85 -3.471 3.173 -1.086 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.301 2.424 1.722 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -1.428 2.632 -0.623 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -0.775 2.502 0.998 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -2.577 0.415 0.996 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -2.098 0.444 -0.690 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -1.457 -1.846 0.586 1.00 0.00 H new ATOM 0 HE22 GLN A 85 0.264 -1.911 0.981 1.00 0.00 H new ATOM 1271 N MET A 86 -2.451 5.466 0.727 1.00 0.00 N ATOM 1272 CA MET A 86 -2.003 6.825 1.133 1.00 0.00 C ATOM 1273 C MET A 86 -2.743 7.204 2.445 1.00 0.00 C ATOM 1274 O MET A 86 -2.192 7.908 3.300 1.00 0.00 O ATOM 1275 CB MET A 86 -2.243 7.862 0.001 1.00 0.00 C ATOM 1276 CG MET A 86 -0.987 8.578 -0.532 1.00 0.00 C ATOM 1277 SD MET A 86 -1.282 10.358 -0.627 1.00 0.00 S ATOM 1278 CE MET A 86 -2.502 10.443 -1.955 1.00 0.00 C ATOM 0 H MET A 86 -2.744 5.409 -0.248 1.00 0.00 H new ATOM 0 HA MET A 86 -0.928 6.828 1.314 1.00 0.00 H new ATOM 0 HB2 MET A 86 -2.730 7.355 -0.832 1.00 0.00 H new ATOM 0 HB3 MET A 86 -2.940 8.616 0.367 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.139 8.376 0.122 1.00 0.00 H new ATOM 0 HG3 MET A 86 -0.729 8.191 -1.518 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.246 11.257 -2.633 1.00 0.00 H new ATOM 0 HE2 MET A 86 -2.508 9.502 -2.504 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.490 10.622 -1.531 1.00 0.00 H new ATOM 1288 N LYS A 87 -3.993 6.725 2.584 1.00 0.00 N ATOM 1289 CA LYS A 87 -4.812 6.923 3.809 1.00 0.00 C ATOM 1290 C LYS A 87 -4.454 5.803 4.824 1.00 0.00 C ATOM 1291 O LYS A 87 -4.864 4.648 4.660 1.00 0.00 O ATOM 1292 CB LYS A 87 -6.336 6.892 3.503 1.00 0.00 C ATOM 1293 CG LYS A 87 -6.839 7.979 2.524 1.00 0.00 C ATOM 1294 CD LYS A 87 -8.163 8.661 2.930 1.00 0.00 C ATOM 1295 CE LYS A 87 -9.430 7.820 2.675 1.00 0.00 C ATOM 1296 NZ LYS A 87 -10.645 8.652 2.708 1.00 0.00 N ATOM 0 H LYS A 87 -4.468 6.191 1.857 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.588 7.906 4.222 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.587 5.914 3.093 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.880 6.993 4.442 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.069 8.744 2.427 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -6.967 7.529 1.540 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.117 8.910 3.990 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.253 9.601 2.386 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.352 7.327 1.706 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.505 7.035 3.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.479 8.056 2.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.732 9.103 3.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.584 9.385 1.973 1.00 0.00 H new