USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 588 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 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc=-0.00606 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0846 X(o=-0.085,f=-0.43) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.591 USER MOD Single : A 27 GLN : amide:sc=-0.00253 X(o=-0.0025,f=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -7.12! C(o=-7.1!,f=-21!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -154:sc= -1.01 (180deg=-1.69) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -0.348 F(o=-1.5,f=-0.35) USER MOD Single : A 40 SER OG : rot -170:sc= 0 USER MOD Single : A 42 SER OG : rot -51:sc= 0.175 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.51 K(o=-0.51,f=-8!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.53) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.661 F(o=-1.7!,f=-0.66) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.898 K(o=-0.9,f=-3.2!) USER MOD Single : A 66 TYR OH : rot 70:sc= 0.163 USER MOD Single : A 67 ASN : amide:sc= 0.0281 X(o=0.028,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 7.018 -13.172 -6.886 1.00 0.00 N ATOM 60 CA GLY A 7 6.819 -11.749 -7.101 1.00 0.00 C ATOM 61 C GLY A 7 7.385 -10.935 -5.936 1.00 0.00 C ATOM 62 O GLY A 7 8.022 -11.486 -5.040 1.00 0.00 O ATOM 0 HA2 GLY A 7 7.303 -11.447 -8.030 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.755 -11.540 -7.213 1.00 0.00 H new ATOM 66 N LEU A 8 7.134 -9.635 -5.988 1.00 0.00 N ATOM 67 CA LEU A 8 7.611 -8.738 -4.948 1.00 0.00 C ATOM 68 C LEU A 8 6.584 -8.685 -3.816 1.00 0.00 C ATOM 69 O LEU A 8 5.384 -8.584 -4.065 1.00 0.00 O ATOM 70 CB LEU A 8 7.949 -7.367 -5.537 1.00 0.00 C ATOM 71 CG LEU A 8 8.425 -6.308 -4.540 1.00 0.00 C ATOM 72 CD1 LEU A 8 9.678 -5.596 -5.053 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.301 -5.324 -4.208 1.00 0.00 C ATOM 0 H LEU A 8 6.607 -9.181 -6.734 1.00 0.00 H new ATOM 0 HA LEU A 8 8.540 -9.112 -4.518 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.723 -7.499 -6.293 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.065 -6.985 -6.048 1.00 0.00 H new ATOM 0 HG LEU A 8 8.698 -6.810 -3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.995 -4.849 -4.326 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.477 -6.324 -5.197 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.456 -5.108 -6.002 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.665 -4.582 -3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.974 -4.824 -5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.462 -5.864 -3.770 1.00 0.00 H new ATOM 85 N GLU A 9 7.093 -8.756 -2.595 1.00 0.00 N ATOM 86 CA GLU A 9 6.235 -8.718 -1.423 1.00 0.00 C ATOM 87 C GLU A 9 6.088 -7.280 -0.920 1.00 0.00 C ATOM 88 O GLU A 9 7.025 -6.488 -1.010 1.00 0.00 O ATOM 89 CB GLU A 9 6.772 -9.632 -0.319 1.00 0.00 C ATOM 90 CG GLU A 9 5.764 -9.762 0.824 1.00 0.00 C ATOM 91 CD GLU A 9 6.132 -10.923 1.750 1.00 0.00 C ATOM 92 OE1 GLU A 9 7.004 -10.702 2.618 1.00 0.00 O ATOM 93 OE2 GLU A 9 5.533 -12.005 1.569 1.00 0.00 O ATOM 0 H GLU A 9 8.089 -8.840 -2.392 1.00 0.00 H new ATOM 0 HA GLU A 9 5.249 -9.087 -1.707 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.989 -10.617 -0.731 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.711 -9.233 0.064 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.733 -8.833 1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.765 -9.919 0.417 1.00 0.00 H new ATOM 100 N VAL A 10 4.904 -6.987 -0.402 1.00 0.00 N ATOM 101 CA VAL A 10 4.622 -5.658 0.115 1.00 0.00 C ATOM 102 C VAL A 10 3.687 -5.773 1.320 1.00 0.00 C ATOM 103 O VAL A 10 2.669 -6.461 1.258 1.00 0.00 O ATOM 104 CB VAL A 10 4.058 -4.773 -0.998 1.00 0.00 C ATOM 105 CG1 VAL A 10 3.797 -3.353 -0.489 1.00 0.00 C ATOM 106 CG2 VAL A 10 4.988 -4.758 -2.212 1.00 0.00 C ATOM 0 H VAL A 10 4.129 -7.647 -0.329 1.00 0.00 H new ATOM 0 HA VAL A 10 5.538 -5.179 0.459 1.00 0.00 H new ATOM 0 HB VAL A 10 3.105 -5.197 -1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.396 -2.744 -1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.078 -3.386 0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.731 -2.916 -0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.563 -4.121 -2.988 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.963 -4.370 -1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.101 -5.772 -2.596 1.00 0.00 H new ATOM 116 N LEU A 11 4.065 -5.089 2.390 1.00 0.00 N ATOM 117 CA LEU A 11 3.273 -5.105 3.608 1.00 0.00 C ATOM 118 C LEU A 11 2.569 -3.756 3.771 1.00 0.00 C ATOM 119 O LEU A 11 2.869 -2.805 3.052 1.00 0.00 O ATOM 120 CB LEU A 11 4.140 -5.495 4.806 1.00 0.00 C ATOM 121 CG LEU A 11 4.576 -6.960 4.870 1.00 0.00 C ATOM 122 CD1 LEU A 11 5.682 -7.248 3.852 1.00 0.00 C ATOM 123 CD2 LEU A 11 4.990 -7.348 6.291 1.00 0.00 C ATOM 0 H LEU A 11 4.910 -4.520 2.439 1.00 0.00 H new ATOM 0 HA LEU A 11 2.495 -5.866 3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.033 -4.871 4.801 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.592 -5.260 5.718 1.00 0.00 H new ATOM 0 HG LEU A 11 3.722 -7.582 4.603 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.974 -8.296 3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.316 -7.036 2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.545 -6.617 4.064 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.295 -8.394 6.308 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.823 -6.722 6.611 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.147 -7.205 6.967 1.00 0.00 H new ATOM 135 N VAL A 12 1.647 -3.718 4.722 1.00 0.00 N ATOM 136 CA VAL A 12 0.898 -2.501 4.989 1.00 0.00 C ATOM 137 C VAL A 12 0.391 -2.527 6.432 1.00 0.00 C ATOM 138 O VAL A 12 -0.379 -3.409 6.808 1.00 0.00 O ATOM 139 CB VAL A 12 -0.226 -2.343 3.963 1.00 0.00 C ATOM 140 CG1 VAL A 12 -1.129 -1.160 4.318 1.00 0.00 C ATOM 141 CG2 VAL A 12 0.340 -2.196 2.549 1.00 0.00 C ATOM 0 H VAL A 12 1.402 -4.509 5.317 1.00 0.00 H new ATOM 0 HA VAL A 12 1.540 -1.626 4.885 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.833 -3.248 3.988 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.920 -1.069 3.573 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.573 -1.323 5.300 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.539 -0.244 4.334 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.479 -2.085 1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.981 -1.316 2.503 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.922 -3.082 2.296 1.00 0.00 H new ATOM 151 N LYS A 13 0.843 -1.547 7.202 1.00 0.00 N ATOM 152 CA LYS A 13 0.444 -1.446 8.595 1.00 0.00 C ATOM 153 C LYS A 13 -0.558 -0.301 8.753 1.00 0.00 C ATOM 154 O LYS A 13 -0.356 0.785 8.211 1.00 0.00 O ATOM 155 CB LYS A 13 1.674 -1.316 9.496 1.00 0.00 C ATOM 156 CG LYS A 13 1.265 -1.064 10.949 1.00 0.00 C ATOM 157 CD LYS A 13 2.495 -0.937 11.851 1.00 0.00 C ATOM 158 CE LYS A 13 2.109 -0.410 13.234 1.00 0.00 C ATOM 159 NZ LYS A 13 3.292 0.149 13.925 1.00 0.00 N ATOM 0 H LYS A 13 1.481 -0.817 6.887 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.061 -2.358 8.914 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.272 -2.226 9.435 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.302 -0.498 9.144 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.669 -0.153 11.010 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.635 -1.881 11.300 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.979 -1.908 11.950 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.220 -0.265 11.391 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.342 0.358 13.136 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.680 -1.216 13.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.012 0.502 14.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.012 -0.593 14.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.685 0.931 13.363 1.00 0.00 H new ATOM 173 N THR A 14 -1.617 -0.582 9.498 1.00 0.00 N ATOM 174 CA THR A 14 -2.651 0.411 9.733 1.00 0.00 C ATOM 175 C THR A 14 -2.492 1.027 11.125 1.00 0.00 C ATOM 176 O THR A 14 -1.554 0.698 11.850 1.00 0.00 O ATOM 177 CB THR A 14 -4.009 -0.259 9.517 1.00 0.00 C ATOM 178 OG1 THR A 14 -3.993 -1.371 10.408 1.00 0.00 O ATOM 179 CG2 THR A 14 -4.134 -0.895 8.131 1.00 0.00 C ATOM 0 H THR A 14 -1.781 -1.483 9.947 1.00 0.00 H new ATOM 0 HA THR A 14 -2.568 1.242 9.032 1.00 0.00 H new ATOM 0 HB THR A 14 -4.802 0.476 9.652 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.838 -1.861 10.334 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.116 -1.357 8.030 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.013 -0.128 7.366 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.362 -1.654 8.008 1.00 0.00 H new ATOM 187 N LEU A 15 -3.423 1.909 11.457 1.00 0.00 N ATOM 188 CA LEU A 15 -3.399 2.573 12.749 1.00 0.00 C ATOM 189 C LEU A 15 -4.203 1.750 13.757 1.00 0.00 C ATOM 190 O LEU A 15 -5.012 2.296 14.506 1.00 0.00 O ATOM 191 CB LEU A 15 -3.876 4.021 12.617 1.00 0.00 C ATOM 192 CG LEU A 15 -2.952 4.964 11.845 1.00 0.00 C ATOM 193 CD1 LEU A 15 -3.713 5.689 10.733 1.00 0.00 C ATOM 194 CD2 LEU A 15 -2.252 5.941 12.791 1.00 0.00 C ATOM 0 H LEU A 15 -4.199 2.179 10.853 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.378 2.631 13.127 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.850 4.018 12.128 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.023 4.427 13.618 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.176 4.366 11.367 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.033 6.353 10.200 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.125 4.958 10.038 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.524 6.273 11.168 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.601 6.600 12.217 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.998 6.536 13.317 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.657 5.384 13.515 1.00 0.00 H new ATOM 206 N ASP A 16 -3.954 0.448 13.742 1.00 0.00 N ATOM 207 CA ASP A 16 -4.645 -0.456 14.646 1.00 0.00 C ATOM 208 C ASP A 16 -3.836 -1.747 14.786 1.00 0.00 C ATOM 209 O ASP A 16 -4.405 -2.824 14.962 1.00 0.00 O ATOM 210 CB ASP A 16 -6.030 -0.821 14.106 1.00 0.00 C ATOM 211 CG ASP A 16 -7.185 -0.591 15.082 1.00 0.00 C ATOM 212 OD1 ASP A 16 -6.885 -0.360 16.273 1.00 0.00 O ATOM 213 OD2 ASP A 16 -8.343 -0.650 14.614 1.00 0.00 O ATOM 0 H ASP A 16 -3.284 -0.002 13.118 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.753 0.045 15.608 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.216 -0.240 13.203 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.024 -1.871 13.814 1.00 0.00 H new ATOM 218 N SER A 17 -2.523 -1.597 14.701 1.00 0.00 N ATOM 219 CA SER A 17 -1.630 -2.737 14.817 1.00 0.00 C ATOM 220 C SER A 17 -2.182 -3.917 14.014 1.00 0.00 C ATOM 221 O SER A 17 -2.762 -4.842 14.581 1.00 0.00 O ATOM 222 CB SER A 17 -1.433 -3.137 16.280 1.00 0.00 C ATOM 223 OG SER A 17 -0.930 -2.059 17.065 1.00 0.00 O ATOM 0 H SER A 17 -2.056 -0.703 14.553 1.00 0.00 H new ATOM 0 HA SER A 17 -0.658 -2.453 14.413 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.383 -3.475 16.694 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.743 -3.979 16.336 1.00 0.00 H new ATOM 0 HG SER A 17 -0.820 -2.354 17.993 1.00 0.00 H new ATOM 229 N GLN A 18 -1.983 -3.846 12.706 1.00 0.00 N ATOM 230 CA GLN A 18 -2.453 -4.897 11.819 1.00 0.00 C ATOM 231 C GLN A 18 -1.636 -4.907 10.526 1.00 0.00 C ATOM 232 O GLN A 18 -2.042 -4.318 9.526 1.00 0.00 O ATOM 233 CB GLN A 18 -3.946 -4.737 11.523 1.00 0.00 C ATOM 234 CG GLN A 18 -4.795 -5.289 12.670 1.00 0.00 C ATOM 235 CD GLN A 18 -6.064 -5.959 12.140 1.00 0.00 C ATOM 236 OE1 GLN A 18 -6.039 -6.744 11.206 1.00 0.00 O ATOM 237 NE2 GLN A 18 -7.172 -5.606 12.785 1.00 0.00 N ATOM 0 H GLN A 18 -1.503 -3.077 12.239 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.315 -5.856 12.319 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.179 -3.683 11.368 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.195 -5.258 10.598 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.212 -6.009 13.245 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -5.063 -4.481 13.350 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -7.122 -4.943 13.559 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -8.071 -5.998 12.506 1.00 0.00 H new ATOM 246 N THR A 19 -0.497 -5.582 10.589 1.00 0.00 N ATOM 247 CA THR A 19 0.382 -5.675 9.435 1.00 0.00 C ATOM 248 C THR A 19 0.025 -6.901 8.591 1.00 0.00 C ATOM 249 O THR A 19 -0.256 -7.970 9.131 1.00 0.00 O ATOM 250 CB THR A 19 1.826 -5.685 9.940 1.00 0.00 C ATOM 251 OG1 THR A 19 2.001 -4.394 10.517 1.00 0.00 O ATOM 252 CG2 THR A 19 2.845 -5.725 8.800 1.00 0.00 C ATOM 0 H THR A 19 -0.163 -6.069 11.420 1.00 0.00 H new ATOM 0 HA THR A 19 0.260 -4.817 8.774 1.00 0.00 H new ATOM 0 HB THR A 19 1.976 -6.546 10.591 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.911 -4.315 10.871 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.854 -5.731 9.213 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.691 -6.626 8.206 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.717 -4.847 8.167 1.00 0.00 H new ATOM 260 N ARG A 20 0.048 -6.704 7.281 1.00 0.00 N ATOM 261 CA ARG A 20 -0.270 -7.780 6.357 1.00 0.00 C ATOM 262 C ARG A 20 0.812 -7.892 5.281 1.00 0.00 C ATOM 263 O ARG A 20 1.674 -7.022 5.170 1.00 0.00 O ATOM 264 CB ARG A 20 -1.625 -7.547 5.687 1.00 0.00 C ATOM 265 CG ARG A 20 -2.753 -7.527 6.721 1.00 0.00 C ATOM 266 CD ARG A 20 -4.040 -6.961 6.118 1.00 0.00 C ATOM 267 NE ARG A 20 -5.217 -7.595 6.752 1.00 0.00 N ATOM 268 CZ ARG A 20 -5.511 -8.899 6.656 1.00 0.00 C ATOM 269 NH1 ARG A 20 -4.715 -9.715 5.951 1.00 0.00 N ATOM 270 NH2 ARG A 20 -6.601 -9.387 7.264 1.00 0.00 N ATOM 0 H ARG A 20 0.282 -5.816 6.837 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.315 -8.707 6.929 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.608 -6.602 5.144 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.812 -8.332 4.955 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.933 -8.538 7.088 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.454 -6.925 7.579 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.076 -5.881 6.264 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.056 -7.138 5.043 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.844 -7.002 7.296 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.886 -9.343 5.488 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.939 -10.708 5.878 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.207 -8.766 7.800 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.825 -10.380 7.191 1.00 0.00 H new ATOM 284 N THR A 21 0.730 -8.970 4.516 1.00 0.00 N ATOM 285 CA THR A 21 1.691 -9.207 3.452 1.00 0.00 C ATOM 286 C THR A 21 0.974 -9.357 2.109 1.00 0.00 C ATOM 287 O THR A 21 -0.050 -10.032 2.020 1.00 0.00 O ATOM 288 CB THR A 21 2.528 -10.430 3.834 1.00 0.00 C ATOM 289 OG1 THR A 21 3.599 -9.891 4.603 1.00 0.00 O ATOM 290 CG2 THR A 21 3.219 -11.067 2.627 1.00 0.00 C ATOM 0 H THR A 21 0.013 -9.689 4.611 1.00 0.00 H new ATOM 0 HA THR A 21 2.365 -8.359 3.332 1.00 0.00 H new ATOM 0 HB THR A 21 1.890 -11.169 4.318 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.190 -10.616 4.894 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.799 -11.930 2.954 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.468 -11.387 1.905 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.883 -10.339 2.161 1.00 0.00 H new ATOM 298 N PHE A 22 1.541 -8.717 1.097 1.00 0.00 N ATOM 299 CA PHE A 22 0.969 -8.771 -0.238 1.00 0.00 C ATOM 300 C PHE A 22 2.042 -9.088 -1.282 1.00 0.00 C ATOM 301 O PHE A 22 3.147 -8.552 -1.223 1.00 0.00 O ATOM 302 CB PHE A 22 0.383 -7.388 -0.529 1.00 0.00 C ATOM 303 CG PHE A 22 -0.831 -7.033 0.332 1.00 0.00 C ATOM 304 CD1 PHE A 22 -1.995 -7.721 0.183 1.00 0.00 C ATOM 305 CD2 PHE A 22 -0.746 -6.029 1.246 1.00 0.00 C ATOM 306 CE1 PHE A 22 -3.121 -7.391 0.982 1.00 0.00 C ATOM 307 CE2 PHE A 22 -1.873 -5.699 2.045 1.00 0.00 C ATOM 308 CZ PHE A 22 -3.037 -6.387 1.896 1.00 0.00 C ATOM 0 H PHE A 22 2.391 -8.158 1.175 1.00 0.00 H new ATOM 0 HA PHE A 22 0.211 -9.553 -0.287 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.157 -6.637 -0.374 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.097 -7.340 -1.580 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.062 -8.518 -0.543 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.178 -5.483 1.364 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.045 -7.937 0.864 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.806 -4.902 2.771 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.894 -6.136 2.503 1.00 0.00 H new ATOM 318 N ILE A 23 1.677 -9.957 -2.213 1.00 0.00 N ATOM 319 CA ILE A 23 2.594 -10.351 -3.269 1.00 0.00 C ATOM 320 C ILE A 23 2.081 -9.820 -4.609 1.00 0.00 C ATOM 321 O ILE A 23 1.133 -10.364 -5.174 1.00 0.00 O ATOM 322 CB ILE A 23 2.813 -11.865 -3.251 1.00 0.00 C ATOM 323 CG1 ILE A 23 3.420 -12.315 -1.920 1.00 0.00 C ATOM 324 CG2 ILE A 23 3.657 -12.312 -4.446 1.00 0.00 C ATOM 325 CD1 ILE A 23 4.935 -12.101 -1.908 1.00 0.00 C ATOM 0 H ILE A 23 0.759 -10.399 -2.258 1.00 0.00 H new ATOM 0 HA ILE A 23 3.576 -9.908 -3.105 1.00 0.00 H new ATOM 0 HB ILE A 23 1.842 -12.352 -3.344 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.964 -11.758 -1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.197 -13.369 -1.752 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.797 -13.392 -4.409 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.148 -12.044 -5.372 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.628 -11.819 -4.410 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.341 -12.429 -0.951 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.390 -12.678 -2.713 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.154 -11.043 -2.052 1.00 0.00 H new ATOM 337 N VAL A 24 2.730 -8.765 -5.079 1.00 0.00 N ATOM 338 CA VAL A 24 2.351 -8.154 -6.342 1.00 0.00 C ATOM 339 C VAL A 24 3.581 -8.059 -7.246 1.00 0.00 C ATOM 340 O VAL A 24 4.712 -8.177 -6.777 1.00 0.00 O ATOM 341 CB VAL A 24 1.688 -6.799 -6.090 1.00 0.00 C ATOM 342 CG1 VAL A 24 0.385 -6.963 -5.304 1.00 0.00 C ATOM 343 CG2 VAL A 24 2.645 -5.845 -5.372 1.00 0.00 C ATOM 0 H VAL A 24 3.516 -8.317 -4.608 1.00 0.00 H new ATOM 0 HA VAL A 24 1.614 -8.769 -6.858 1.00 0.00 H new ATOM 0 HB VAL A 24 1.442 -6.362 -7.058 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.066 -5.984 -5.139 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.305 -7.589 -5.870 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.596 -7.432 -4.343 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.149 -4.889 -5.205 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.936 -6.275 -4.414 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.533 -5.691 -5.985 1.00 0.00 H new ATOM 353 N GLY A 25 3.319 -7.846 -8.528 1.00 0.00 N ATOM 354 CA GLY A 25 4.391 -7.734 -9.502 1.00 0.00 C ATOM 355 C GLY A 25 5.152 -6.417 -9.331 1.00 0.00 C ATOM 356 O GLY A 25 4.560 -5.341 -9.400 1.00 0.00 O ATOM 0 H GLY A 25 2.380 -7.748 -8.914 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.078 -8.573 -9.390 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.979 -7.792 -10.510 1.00 0.00 H new ATOM 360 N ALA A 26 6.452 -6.547 -9.111 1.00 0.00 N ATOM 361 CA ALA A 26 7.300 -5.381 -8.929 1.00 0.00 C ATOM 362 C ALA A 26 6.901 -4.303 -9.939 1.00 0.00 C ATOM 363 O ALA A 26 6.798 -3.128 -9.590 1.00 0.00 O ATOM 364 CB ALA A 26 8.768 -5.791 -9.064 1.00 0.00 C ATOM 0 H ALA A 26 6.939 -7.442 -9.055 1.00 0.00 H new ATOM 0 HA ALA A 26 7.169 -4.963 -7.931 1.00 0.00 H new ATOM 0 HB1 ALA A 26 9.404 -4.916 -8.928 1.00 0.00 H new ATOM 0 HB2 ALA A 26 9.009 -6.537 -8.306 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.938 -6.212 -10.055 1.00 0.00 H new ATOM 370 N GLN A 27 6.686 -4.741 -11.171 1.00 0.00 N ATOM 371 CA GLN A 27 6.300 -3.829 -12.233 1.00 0.00 C ATOM 372 C GLN A 27 5.085 -3.003 -11.808 1.00 0.00 C ATOM 373 O GLN A 27 5.048 -1.791 -12.019 1.00 0.00 O ATOM 374 CB GLN A 27 6.021 -4.587 -13.533 1.00 0.00 C ATOM 375 CG GLN A 27 7.322 -5.075 -14.173 1.00 0.00 C ATOM 376 CD GLN A 27 7.077 -6.314 -15.036 1.00 0.00 C ATOM 377 OE1 GLN A 27 6.223 -6.338 -15.907 1.00 0.00 O ATOM 378 NE2 GLN A 27 7.872 -7.341 -14.746 1.00 0.00 N ATOM 0 H GLN A 27 6.772 -5.716 -11.457 1.00 0.00 H new ATOM 0 HA GLN A 27 7.130 -3.148 -12.420 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.370 -5.437 -13.330 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.490 -3.938 -14.230 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.751 -4.281 -14.784 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.049 -5.307 -13.395 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.567 -7.255 -14.004 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.787 -8.215 -15.266 1.00 0.00 H new ATOM 387 N MET A 28 4.119 -3.690 -11.217 1.00 0.00 N ATOM 388 CA MET A 28 2.905 -3.035 -10.761 1.00 0.00 C ATOM 389 C MET A 28 3.210 -1.646 -10.198 1.00 0.00 C ATOM 390 O MET A 28 4.295 -1.412 -9.666 1.00 0.00 O ATOM 391 CB MET A 28 2.239 -3.889 -9.680 1.00 0.00 C ATOM 392 CG MET A 28 0.925 -3.259 -9.216 1.00 0.00 C ATOM 393 SD MET A 28 0.189 -4.258 -7.932 1.00 0.00 S ATOM 394 CE MET A 28 -0.690 -5.448 -8.930 1.00 0.00 C ATOM 0 H MET A 28 4.152 -4.695 -11.043 1.00 0.00 H new ATOM 0 HA MET A 28 2.234 -2.922 -11.612 1.00 0.00 H new ATOM 0 HB2 MET A 28 2.050 -4.890 -10.068 1.00 0.00 H new ATOM 0 HB3 MET A 28 2.914 -3.998 -8.831 1.00 0.00 H new ATOM 0 HG2 MET A 28 1.107 -2.251 -8.844 1.00 0.00 H new ATOM 0 HG3 MET A 28 0.238 -3.170 -10.057 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.210 -6.153 -8.282 1.00 0.00 H new ATOM 0 HE2 MET A 28 -1.415 -4.931 -9.559 1.00 0.00 H new ATOM 0 HE3 MET A 28 0.017 -5.988 -9.560 1.00 0.00 H new ATOM 404 N ASN A 29 2.234 -0.760 -10.334 1.00 0.00 N ATOM 405 CA ASN A 29 2.385 0.600 -9.845 1.00 0.00 C ATOM 406 C ASN A 29 1.661 0.739 -8.505 1.00 0.00 C ATOM 407 O ASN A 29 0.902 -0.145 -8.110 1.00 0.00 O ATOM 408 CB ASN A 29 1.772 1.607 -10.820 1.00 0.00 C ATOM 409 CG ASN A 29 0.433 1.101 -11.361 1.00 0.00 C ATOM 410 OD1 ASN A 29 0.277 -0.053 -11.726 1.00 0.00 O ATOM 411 ND2 ASN A 29 -0.523 2.026 -11.390 1.00 0.00 N ATOM 0 H ASN A 29 1.336 -0.957 -10.776 1.00 0.00 H new ATOM 0 HA ASN A 29 3.451 0.804 -9.739 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.627 2.563 -10.317 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.460 1.783 -11.647 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.454 1.787 -11.733 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.325 2.974 -11.069 1.00 0.00 H new ATOM 418 N VAL A 30 1.921 1.856 -7.841 1.00 0.00 N ATOM 419 CA VAL A 30 1.304 2.122 -6.553 1.00 0.00 C ATOM 420 C VAL A 30 -0.218 2.052 -6.697 1.00 0.00 C ATOM 421 O VAL A 30 -0.877 1.286 -5.997 1.00 0.00 O ATOM 422 CB VAL A 30 1.792 3.465 -6.006 1.00 0.00 C ATOM 423 CG1 VAL A 30 0.850 3.990 -4.921 1.00 0.00 C ATOM 424 CG2 VAL A 30 3.225 3.356 -5.482 1.00 0.00 C ATOM 0 H VAL A 30 2.551 2.587 -8.171 1.00 0.00 H new ATOM 0 HA VAL A 30 1.597 1.365 -5.826 1.00 0.00 H new ATOM 0 HB VAL A 30 1.790 4.182 -6.827 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.220 4.946 -4.549 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.147 4.125 -5.339 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.805 3.274 -4.100 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.547 4.324 -5.099 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.264 2.618 -4.681 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.886 3.048 -6.292 1.00 0.00 H new ATOM 434 N LYS A 31 -0.731 2.863 -7.611 1.00 0.00 N ATOM 435 CA LYS A 31 -2.163 2.903 -7.856 1.00 0.00 C ATOM 436 C LYS A 31 -2.703 1.474 -7.931 1.00 0.00 C ATOM 437 O LYS A 31 -3.552 1.084 -7.130 1.00 0.00 O ATOM 438 CB LYS A 31 -2.470 3.742 -9.098 1.00 0.00 C ATOM 439 CG LYS A 31 -3.930 3.577 -9.524 1.00 0.00 C ATOM 440 CD LYS A 31 -4.660 4.922 -9.518 1.00 0.00 C ATOM 441 CE LYS A 31 -5.597 5.043 -10.721 1.00 0.00 C ATOM 442 NZ LYS A 31 -7.010 5.021 -10.282 1.00 0.00 N ATOM 0 H LYS A 31 -0.181 3.497 -8.190 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.677 3.396 -7.031 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.264 4.792 -8.892 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.813 3.443 -9.915 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.974 3.140 -10.522 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.433 2.884 -8.850 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.232 5.025 -8.596 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.933 5.734 -9.535 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.391 5.969 -11.258 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.413 4.224 -11.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.632 5.104 -11.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.207 4.126 -9.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.185 5.817 -9.636 1.00 0.00 H new ATOM 456 N GLU A 32 -2.189 0.731 -8.900 1.00 0.00 N ATOM 457 CA GLU A 32 -2.609 -0.647 -9.090 1.00 0.00 C ATOM 458 C GLU A 32 -2.614 -1.390 -7.752 1.00 0.00 C ATOM 459 O GLU A 32 -3.651 -1.891 -7.320 1.00 0.00 O ATOM 460 CB GLU A 32 -1.716 -1.358 -10.108 1.00 0.00 C ATOM 461 CG GLU A 32 -2.202 -1.103 -11.536 1.00 0.00 C ATOM 462 CD GLU A 32 -1.445 -1.979 -12.538 1.00 0.00 C ATOM 463 OE1 GLU A 32 -1.537 -3.217 -12.391 1.00 0.00 O ATOM 464 OE2 GLU A 32 -0.792 -1.391 -13.426 1.00 0.00 O ATOM 0 H GLU A 32 -1.485 1.057 -9.562 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.624 -0.645 -9.486 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.689 -1.009 -10.002 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.711 -2.429 -9.907 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.270 -1.308 -11.602 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.063 -0.052 -11.789 1.00 0.00 H new ATOM 471 N PHE A 33 -1.443 -1.437 -7.134 1.00 0.00 N ATOM 472 CA PHE A 33 -1.299 -2.110 -5.854 1.00 0.00 C ATOM 473 C PHE A 33 -2.459 -1.762 -4.918 1.00 0.00 C ATOM 474 O PHE A 33 -3.011 -2.639 -4.256 1.00 0.00 O ATOM 475 CB PHE A 33 0.008 -1.614 -5.233 1.00 0.00 C ATOM 476 CG PHE A 33 0.388 -2.326 -3.933 1.00 0.00 C ATOM 477 CD1 PHE A 33 0.690 -3.652 -3.947 1.00 0.00 C ATOM 478 CD2 PHE A 33 0.424 -1.633 -2.763 1.00 0.00 C ATOM 479 CE1 PHE A 33 1.043 -4.313 -2.741 1.00 0.00 C ATOM 480 CE2 PHE A 33 0.777 -2.294 -1.557 1.00 0.00 C ATOM 481 CZ PHE A 33 1.079 -3.620 -1.571 1.00 0.00 C ATOM 0 H PHE A 33 -0.585 -1.020 -7.496 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.296 -3.190 -6.000 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.814 -1.744 -5.955 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.077 -0.545 -5.038 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.661 -4.202 -4.876 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.184 -0.580 -2.751 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.283 -5.366 -2.753 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.806 -1.744 -0.628 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.347 -4.123 -0.654 1.00 0.00 H new ATOM 491 N LYS A 34 -2.793 -0.480 -4.894 1.00 0.00 N ATOM 492 CA LYS A 34 -3.877 -0.005 -4.050 1.00 0.00 C ATOM 493 C LYS A 34 -5.168 -0.734 -4.428 1.00 0.00 C ATOM 494 O LYS A 34 -5.940 -1.130 -3.556 1.00 0.00 O ATOM 495 CB LYS A 34 -3.986 1.519 -4.125 1.00 0.00 C ATOM 496 CG LYS A 34 -2.704 2.186 -3.623 1.00 0.00 C ATOM 497 CD LYS A 34 -2.683 3.673 -3.983 1.00 0.00 C ATOM 498 CE LYS A 34 -1.670 4.431 -3.123 1.00 0.00 C ATOM 499 NZ LYS A 34 -2.365 5.322 -2.167 1.00 0.00 N ATOM 0 H LYS A 34 -2.332 0.244 -5.445 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.675 -0.235 -3.004 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.180 1.823 -5.154 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.833 1.856 -3.528 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.628 2.069 -2.542 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.837 1.690 -4.059 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.432 3.792 -5.037 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.676 4.099 -3.842 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.043 3.723 -2.580 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.009 5.017 -3.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.742 6.116 -1.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.235 5.689 -2.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.607 4.788 -1.308 1.00 0.00 H new ATOM 513 N GLU A 35 -5.364 -0.889 -5.729 1.00 0.00 N ATOM 514 CA GLU A 35 -6.548 -1.563 -6.233 1.00 0.00 C ATOM 515 C GLU A 35 -6.508 -3.049 -5.871 1.00 0.00 C ATOM 516 O GLU A 35 -7.548 -3.665 -5.647 1.00 0.00 O ATOM 517 CB GLU A 35 -6.688 -1.370 -7.745 1.00 0.00 C ATOM 518 CG GLU A 35 -6.767 0.116 -8.103 1.00 0.00 C ATOM 519 CD GLU A 35 -7.274 0.308 -9.533 1.00 0.00 C ATOM 520 OE1 GLU A 35 -8.022 -0.581 -9.995 1.00 0.00 O ATOM 521 OE2 GLU A 35 -6.903 1.340 -10.133 1.00 0.00 O ATOM 0 H GLU A 35 -4.722 -0.559 -6.450 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.424 -1.118 -5.761 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.838 -1.826 -8.254 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.583 -1.881 -8.099 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.431 0.627 -7.406 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.783 0.572 -7.998 1.00 0.00 H new ATOM 528 N HIS A 36 -5.295 -3.581 -5.826 1.00 0.00 N ATOM 529 CA HIS A 36 -5.105 -4.983 -5.495 1.00 0.00 C ATOM 530 C HIS A 36 -5.487 -5.222 -4.033 1.00 0.00 C ATOM 531 O HIS A 36 -6.356 -6.042 -3.740 1.00 0.00 O ATOM 532 CB HIS A 36 -3.677 -5.428 -5.816 1.00 0.00 C ATOM 533 CG HIS A 36 -3.437 -6.907 -5.624 1.00 0.00 C ATOM 534 ND1 HIS A 36 -2.627 -7.572 -4.752 1.00 0.00 N flip ATOM 535 CD2 HIS A 36 -4.070 -7.874 -6.385 1.00 0.00 C flip ATOM 536 CE1 HIS A 36 -2.759 -8.875 -4.967 1.00 0.00 C flip ATOM 537 NE2 HIS A 36 -3.653 -9.064 -5.979 1.00 0.00 N flip ATOM 0 H HIS A 36 -4.434 -3.066 -6.013 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.762 -5.598 -6.110 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.449 -5.164 -6.849 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -2.984 -4.873 -5.184 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -4.783 -7.690 -7.175 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -2.243 -9.657 -4.429 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -3.949 -9.964 -6.357 1.00 0.00 H new ATOM 545 N ILE A 37 -4.818 -4.490 -3.154 1.00 0.00 N ATOM 546 CA ILE A 37 -5.076 -4.612 -1.729 1.00 0.00 C ATOM 547 C ILE A 37 -6.451 -4.021 -1.412 1.00 0.00 C ATOM 548 O ILE A 37 -7.114 -4.453 -0.470 1.00 0.00 O ATOM 549 CB ILE A 37 -3.936 -3.987 -0.923 1.00 0.00 C ATOM 550 CG1 ILE A 37 -3.919 -2.465 -1.086 1.00 0.00 C ATOM 551 CG2 ILE A 37 -2.592 -4.618 -1.292 1.00 0.00 C ATOM 552 CD1 ILE A 37 -3.065 -1.807 -0.001 1.00 0.00 C ATOM 0 H ILE A 37 -4.098 -3.811 -3.401 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.105 -5.661 -1.435 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.110 -4.196 0.132 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.527 -2.205 -2.069 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.937 -2.079 -1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.799 -4.155 -0.704 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.622 -5.687 -1.082 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.396 -4.462 -2.353 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.070 -0.726 -0.140 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.474 -2.049 0.980 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.042 -2.177 -0.069 1.00 0.00 H new ATOM 564 N ALA A 38 -6.838 -3.041 -2.215 1.00 0.00 N ATOM 565 CA ALA A 38 -8.122 -2.386 -2.032 1.00 0.00 C ATOM 566 C ALA A 38 -9.178 -3.433 -1.675 1.00 0.00 C ATOM 567 O ALA A 38 -10.121 -3.144 -0.940 1.00 0.00 O ATOM 568 CB ALA A 38 -8.481 -1.602 -3.296 1.00 0.00 C ATOM 0 H ALA A 38 -6.285 -2.685 -2.994 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.075 -1.673 -1.209 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.444 -1.111 -3.158 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.715 -0.851 -3.488 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.540 -2.285 -4.143 1.00 0.00 H new ATOM 574 N ALA A 39 -8.985 -4.629 -2.213 1.00 0.00 N ATOM 575 CA ALA A 39 -9.909 -5.721 -1.961 1.00 0.00 C ATOM 576 C ALA A 39 -9.773 -6.173 -0.506 1.00 0.00 C ATOM 577 O ALA A 39 -10.753 -6.186 0.238 1.00 0.00 O ATOM 578 CB ALA A 39 -9.641 -6.856 -2.952 1.00 0.00 C ATOM 0 H ALA A 39 -8.202 -4.865 -2.822 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.938 -5.395 -2.110 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.334 -7.675 -2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.780 -6.491 -3.970 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.618 -7.211 -2.830 1.00 0.00 H new ATOM 584 N SER A 40 -8.551 -6.532 -0.143 1.00 0.00 N ATOM 585 CA SER A 40 -8.274 -6.984 1.210 1.00 0.00 C ATOM 586 C SER A 40 -8.549 -5.855 2.205 1.00 0.00 C ATOM 587 O SER A 40 -9.393 -5.994 3.089 1.00 0.00 O ATOM 588 CB SER A 40 -6.829 -7.469 1.344 1.00 0.00 C ATOM 589 OG SER A 40 -6.596 -8.664 0.604 1.00 0.00 O ATOM 0 H SER A 40 -7.741 -6.519 -0.762 1.00 0.00 H new ATOM 0 HA SER A 40 -8.933 -7.824 1.432 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.151 -6.689 0.996 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.601 -7.644 2.396 1.00 0.00 H new ATOM 0 HG SER A 40 -5.716 -9.027 0.838 1.00 0.00 H new ATOM 595 N VAL A 41 -7.821 -4.762 2.027 1.00 0.00 N ATOM 596 CA VAL A 41 -7.976 -3.610 2.899 1.00 0.00 C ATOM 597 C VAL A 41 -9.421 -3.110 2.824 1.00 0.00 C ATOM 598 O VAL A 41 -9.912 -2.481 3.759 1.00 0.00 O ATOM 599 CB VAL A 41 -6.952 -2.534 2.531 1.00 0.00 C ATOM 600 CG1 VAL A 41 -5.525 -3.035 2.762 1.00 0.00 C ATOM 601 CG2 VAL A 41 -7.143 -2.066 1.087 1.00 0.00 C ATOM 0 H VAL A 41 -7.123 -4.650 1.292 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.780 -3.886 3.935 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.116 -1.677 3.184 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.816 -2.252 2.493 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.396 -3.295 3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.344 -3.915 2.145 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.403 -1.301 0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.019 -2.912 0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.144 -1.651 0.968 1.00 0.00 H new ATOM 611 N SER A 42 -10.060 -3.410 1.703 1.00 0.00 N ATOM 612 CA SER A 42 -11.438 -2.999 1.494 1.00 0.00 C ATOM 613 C SER A 42 -11.525 -1.473 1.430 1.00 0.00 C ATOM 614 O SER A 42 -12.570 -0.895 1.722 1.00 0.00 O ATOM 615 CB SER A 42 -12.346 -3.537 2.601 1.00 0.00 C ATOM 616 OG SER A 42 -13.723 -3.477 2.238 1.00 0.00 O ATOM 0 H SER A 42 -9.649 -3.933 0.930 1.00 0.00 H new ATOM 0 HA SER A 42 -11.780 -3.415 0.546 1.00 0.00 H new ATOM 0 HB2 SER A 42 -12.074 -4.569 2.823 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.186 -2.962 3.513 1.00 0.00 H new ATOM 0 HG SER A 42 -13.939 -2.575 1.922 1.00 0.00 H new ATOM 622 N ILE A 43 -10.412 -0.864 1.046 1.00 0.00 N ATOM 623 CA ILE A 43 -10.350 0.583 0.940 1.00 0.00 C ATOM 624 C ILE A 43 -10.044 0.972 -0.508 1.00 0.00 C ATOM 625 O ILE A 43 -9.265 0.301 -1.183 1.00 0.00 O ATOM 626 CB ILE A 43 -9.354 1.152 1.953 1.00 0.00 C ATOM 627 CG1 ILE A 43 -9.793 0.844 3.386 1.00 0.00 C ATOM 628 CG2 ILE A 43 -9.140 2.651 1.728 1.00 0.00 C ATOM 629 CD1 ILE A 43 -8.728 1.286 4.392 1.00 0.00 C ATOM 0 H ILE A 43 -9.547 -1.347 0.805 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.314 1.025 1.192 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.392 0.663 1.799 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.733 1.352 3.599 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.977 -0.225 3.492 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.428 3.031 2.461 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.750 2.816 0.724 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -10.089 3.175 1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.065 1.056 5.403 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.796 0.758 4.191 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.564 2.360 4.300 1.00 0.00 H new ATOM 641 N PRO A 44 -10.691 2.082 -0.954 1.00 0.00 N ATOM 642 CA PRO A 44 -10.496 2.568 -2.309 1.00 0.00 C ATOM 643 C PRO A 44 -9.138 3.257 -2.455 1.00 0.00 C ATOM 644 O PRO A 44 -8.680 3.936 -1.536 1.00 0.00 O ATOM 645 CB PRO A 44 -11.667 3.502 -2.565 1.00 0.00 C ATOM 646 CG PRO A 44 -12.216 3.867 -1.195 1.00 0.00 C ATOM 647 CD PRO A 44 -11.621 2.902 -0.183 1.00 0.00 C ATOM 0 HA PRO A 44 -10.477 1.764 -3.045 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.346 4.392 -3.107 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.429 3.015 -3.174 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.956 4.895 -0.941 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.304 3.803 -1.190 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.109 3.435 0.618 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -12.394 2.291 0.284 1.00 0.00 H new ATOM 655 N SER A 45 -8.531 3.060 -3.616 1.00 0.00 N ATOM 656 CA SER A 45 -7.235 3.655 -3.893 1.00 0.00 C ATOM 657 C SER A 45 -7.320 5.178 -3.771 1.00 0.00 C ATOM 658 O SER A 45 -6.300 5.851 -3.630 1.00 0.00 O ATOM 659 CB SER A 45 -6.735 3.262 -5.285 1.00 0.00 C ATOM 660 OG SER A 45 -7.345 4.040 -6.311 1.00 0.00 O ATOM 0 H SER A 45 -8.913 2.497 -4.376 1.00 0.00 H new ATOM 0 HA SER A 45 -6.522 3.278 -3.160 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.653 3.387 -5.330 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.941 2.206 -5.460 1.00 0.00 H new ATOM 0 HG SER A 45 -6.998 3.760 -7.184 1.00 0.00 H new ATOM 666 N GLU A 46 -8.546 5.676 -3.828 1.00 0.00 N ATOM 667 CA GLU A 46 -8.778 7.107 -3.725 1.00 0.00 C ATOM 668 C GLU A 46 -8.694 7.554 -2.265 1.00 0.00 C ATOM 669 O GLU A 46 -8.292 8.681 -1.979 1.00 0.00 O ATOM 670 CB GLU A 46 -10.127 7.489 -4.339 1.00 0.00 C ATOM 671 CG GLU A 46 -10.576 8.870 -3.858 1.00 0.00 C ATOM 672 CD GLU A 46 -11.423 9.572 -4.921 1.00 0.00 C ATOM 673 OE1 GLU A 46 -10.929 9.674 -6.065 1.00 0.00 O ATOM 674 OE2 GLU A 46 -12.546 9.991 -4.566 1.00 0.00 O ATOM 0 H GLU A 46 -9.389 5.114 -3.944 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.000 7.623 -4.288 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.050 7.486 -5.426 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.877 6.745 -4.071 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.151 8.769 -2.938 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.703 9.479 -3.623 1.00 0.00 H new ATOM 681 N LYS A 47 -9.079 6.648 -1.378 1.00 0.00 N ATOM 682 CA LYS A 47 -9.052 6.936 0.046 1.00 0.00 C ATOM 683 C LYS A 47 -7.725 6.452 0.634 1.00 0.00 C ATOM 684 O LYS A 47 -7.350 6.847 1.737 1.00 0.00 O ATOM 685 CB LYS A 47 -10.283 6.345 0.736 1.00 0.00 C ATOM 686 CG LYS A 47 -11.542 7.143 0.390 1.00 0.00 C ATOM 687 CD LYS A 47 -12.781 6.520 1.037 1.00 0.00 C ATOM 688 CE LYS A 47 -13.109 7.205 2.365 1.00 0.00 C ATOM 689 NZ LYS A 47 -14.283 8.093 2.214 1.00 0.00 N ATOM 0 H LYS A 47 -9.411 5.714 -1.618 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.105 8.011 0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.411 5.306 0.431 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.134 6.344 1.816 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.429 8.173 0.729 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.670 7.176 -0.692 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.631 6.605 0.360 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.612 5.456 1.204 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.310 6.454 3.129 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.250 7.783 2.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.492 8.550 3.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.078 8.821 1.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.105 7.533 1.911 1.00 0.00 H new ATOM 703 N GLN A 48 -7.052 5.602 -0.127 1.00 0.00 N ATOM 704 CA GLN A 48 -5.775 5.060 0.305 1.00 0.00 C ATOM 705 C GLN A 48 -4.668 6.101 0.127 1.00 0.00 C ATOM 706 O GLN A 48 -4.827 7.058 -0.629 1.00 0.00 O ATOM 707 CB GLN A 48 -5.442 3.772 -0.451 1.00 0.00 C ATOM 708 CG GLN A 48 -6.300 2.607 0.047 1.00 0.00 C ATOM 709 CD GLN A 48 -5.668 1.263 -0.324 1.00 0.00 C ATOM 710 OE1 GLN A 48 -4.584 0.915 0.114 1.00 0.00 O ATOM 711 NE2 GLN A 48 -6.405 0.530 -1.155 1.00 0.00 N ATOM 0 H GLN A 48 -7.367 5.275 -1.040 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.848 4.813 1.364 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.607 3.920 -1.518 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.387 3.532 -0.322 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.416 2.672 1.129 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.298 2.675 -0.385 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.304 0.881 -1.484 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.071 -0.383 -1.463 1.00 0.00 H new ATOM 720 N ARG A 49 -3.572 5.880 0.837 1.00 0.00 N ATOM 721 CA ARG A 49 -2.439 6.787 0.767 1.00 0.00 C ATOM 722 C ARG A 49 -1.188 6.120 1.342 1.00 0.00 C ATOM 723 O ARG A 49 -0.767 6.436 2.454 1.00 0.00 O ATOM 724 CB ARG A 49 -2.720 8.078 1.538 1.00 0.00 C ATOM 725 CG ARG A 49 -1.528 9.034 1.458 1.00 0.00 C ATOM 726 CD ARG A 49 -1.808 10.326 2.229 1.00 0.00 C ATOM 727 NE ARG A 49 -0.608 11.191 2.221 1.00 0.00 N ATOM 728 CZ ARG A 49 -0.580 12.442 2.700 1.00 0.00 C ATOM 729 NH1 ARG A 49 -1.687 12.982 3.228 1.00 0.00 N ATOM 730 NH2 ARG A 49 0.555 13.153 2.652 1.00 0.00 N ATOM 0 H ARG A 49 -3.444 5.086 1.464 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.274 7.032 -0.282 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.608 8.563 1.132 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.934 7.844 2.581 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.640 8.549 1.864 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.314 9.268 0.415 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.649 10.853 1.778 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.091 10.092 3.255 1.00 0.00 H new ATOM 0 HE ARG A 49 0.252 10.811 1.826 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.551 12.441 3.265 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.666 13.934 3.593 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.398 12.742 2.251 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.576 14.105 3.017 1.00 0.00 H new ATOM 744 N LEU A 50 -0.629 5.208 0.559 1.00 0.00 N ATOM 745 CA LEU A 50 0.565 4.494 0.977 1.00 0.00 C ATOM 746 C LEU A 50 1.703 5.493 1.191 1.00 0.00 C ATOM 747 O LEU A 50 2.013 6.286 0.302 1.00 0.00 O ATOM 748 CB LEU A 50 0.901 3.383 -0.020 1.00 0.00 C ATOM 749 CG LEU A 50 -0.235 2.413 -0.352 1.00 0.00 C ATOM 750 CD1 LEU A 50 0.171 1.456 -1.474 1.00 0.00 C ATOM 751 CD2 LEU A 50 -0.701 1.665 0.899 1.00 0.00 C ATOM 0 H LEU A 50 -0.981 4.948 -0.362 1.00 0.00 H new ATOM 0 HA LEU A 50 0.396 3.994 1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.240 3.845 -0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.739 2.809 0.375 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.084 2.993 -0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.654 0.778 -1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.415 2.028 -2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.042 0.880 -1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.509 0.982 0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.132 1.098 1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.058 2.381 1.639 1.00 0.00 H new ATOM 763 N ILE A 51 2.296 5.423 2.374 1.00 0.00 N ATOM 764 CA ILE A 51 3.393 6.311 2.715 1.00 0.00 C ATOM 765 C ILE A 51 4.563 5.486 3.254 1.00 0.00 C ATOM 766 O ILE A 51 4.397 4.702 4.187 1.00 0.00 O ATOM 767 CB ILE A 51 2.918 7.405 3.675 1.00 0.00 C ATOM 768 CG1 ILE A 51 1.797 8.235 3.048 1.00 0.00 C ATOM 769 CG2 ILE A 51 4.089 8.276 4.135 1.00 0.00 C ATOM 770 CD1 ILE A 51 0.735 8.597 4.088 1.00 0.00 C ATOM 0 H ILE A 51 2.037 4.764 3.108 1.00 0.00 H new ATOM 0 HA ILE A 51 3.752 6.831 1.827 1.00 0.00 H new ATOM 0 HB ILE A 51 2.505 6.926 4.563 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.212 9.145 2.615 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.337 7.675 2.233 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.725 9.045 4.816 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.824 7.656 4.648 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.553 8.748 3.269 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.050 9.187 3.616 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.305 7.685 4.501 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.193 9.177 4.889 1.00 0.00 H new ATOM 782 N TYR A 52 5.721 5.690 2.643 1.00 0.00 N ATOM 783 CA TYR A 52 6.918 4.975 3.050 1.00 0.00 C ATOM 784 C TYR A 52 7.932 5.923 3.694 1.00 0.00 C ATOM 785 O TYR A 52 8.293 6.943 3.107 1.00 0.00 O ATOM 786 CB TYR A 52 7.521 4.398 1.768 1.00 0.00 C ATOM 787 CG TYR A 52 8.833 3.641 1.982 1.00 0.00 C ATOM 788 CD1 TYR A 52 8.811 2.331 2.417 1.00 0.00 C ATOM 789 CD2 TYR A 52 10.039 4.268 1.741 1.00 0.00 C ATOM 790 CE1 TYR A 52 10.047 1.619 2.619 1.00 0.00 C ATOM 791 CE2 TYR A 52 11.274 3.556 1.943 1.00 0.00 C ATOM 792 CZ TYR A 52 11.217 2.267 2.372 1.00 0.00 C ATOM 793 OH TYR A 52 12.383 1.594 2.563 1.00 0.00 O ATOM 0 H TYR A 52 5.855 6.341 1.869 1.00 0.00 H new ATOM 0 HA TYR A 52 6.674 4.205 3.781 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.796 3.725 1.309 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.694 5.211 1.062 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.868 1.840 2.606 1.00 0.00 H new ATOM 0 HD2 TYR A 52 10.056 5.293 1.401 1.00 0.00 H new ATOM 0 HE1 TYR A 52 10.045 0.594 2.959 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.224 4.035 1.758 1.00 0.00 H new ATOM 0 HH TYR A 52 13.138 2.180 2.347 1.00 0.00 H new ATOM 803 N GLN A 53 8.363 5.554 4.891 1.00 0.00 N ATOM 804 CA GLN A 53 9.328 6.359 5.620 1.00 0.00 C ATOM 805 C GLN A 53 8.706 7.699 6.021 1.00 0.00 C ATOM 806 O GLN A 53 8.495 7.960 7.204 1.00 0.00 O ATOM 807 CB GLN A 53 10.600 6.569 4.797 1.00 0.00 C ATOM 808 CG GLN A 53 11.575 5.405 4.988 1.00 0.00 C ATOM 809 CD GLN A 53 12.200 5.436 6.384 1.00 0.00 C ATOM 810 OE1 GLN A 53 11.725 4.813 7.320 1.00 0.00 O ATOM 811 NE2 GLN A 53 13.289 6.194 6.472 1.00 0.00 N ATOM 0 H GLN A 53 8.062 4.708 5.374 1.00 0.00 H new ATOM 0 HA GLN A 53 9.607 5.824 6.528 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.343 6.664 3.742 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.079 7.502 5.093 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.052 4.460 4.841 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.360 5.456 4.233 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.634 6.689 5.649 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.780 6.280 7.362 1.00 0.00 H new ATOM 820 N GLY A 54 8.431 8.512 5.012 1.00 0.00 N ATOM 821 CA GLY A 54 7.838 9.818 5.244 1.00 0.00 C ATOM 822 C GLY A 54 7.470 10.496 3.922 1.00 0.00 C ATOM 823 O GLY A 54 7.525 11.719 3.811 1.00 0.00 O ATOM 0 H GLY A 54 8.608 8.292 4.032 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.947 9.712 5.863 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.537 10.446 5.797 1.00 0.00 H new ATOM 827 N ARG A 55 7.101 9.670 2.953 1.00 0.00 N ATOM 828 CA ARG A 55 6.723 10.174 1.644 1.00 0.00 C ATOM 829 C ARG A 55 5.512 9.407 1.109 1.00 0.00 C ATOM 830 O ARG A 55 5.471 8.179 1.176 1.00 0.00 O ATOM 831 CB ARG A 55 7.879 10.046 0.650 1.00 0.00 C ATOM 832 CG ARG A 55 7.362 10.006 -0.790 1.00 0.00 C ATOM 833 CD ARG A 55 8.506 10.196 -1.788 1.00 0.00 C ATOM 834 NE ARG A 55 8.118 11.184 -2.820 1.00 0.00 N ATOM 835 CZ ARG A 55 8.940 11.630 -3.779 1.00 0.00 C ATOM 836 NH1 ARG A 55 10.200 11.180 -3.844 1.00 0.00 N ATOM 837 NH2 ARG A 55 8.502 12.527 -4.673 1.00 0.00 N ATOM 0 H ARG A 55 7.056 8.656 3.049 1.00 0.00 H new ATOM 0 HA ARG A 55 6.469 11.228 1.755 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.563 10.886 0.772 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.447 9.140 0.862 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.867 9.053 -0.976 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.615 10.787 -0.934 1.00 0.00 H new ATOM 0 HD2 ARG A 55 9.402 10.534 -1.267 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.751 9.244 -2.258 1.00 0.00 H new ATOM 0 HE ARG A 55 7.165 11.548 -2.799 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.534 10.498 -3.163 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.826 11.520 -4.574 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.543 12.870 -4.623 1.00 0.00 H new ATOM 0 HH22 ARG A 55 9.128 12.867 -5.403 1.00 0.00 H new ATOM 851 N VAL A 56 4.555 10.162 0.591 1.00 0.00 N ATOM 852 CA VAL A 56 3.347 9.569 0.045 1.00 0.00 C ATOM 853 C VAL A 56 3.672 8.896 -1.291 1.00 0.00 C ATOM 854 O VAL A 56 3.886 9.573 -2.295 1.00 0.00 O ATOM 855 CB VAL A 56 2.250 10.629 -0.072 1.00 0.00 C ATOM 856 CG1 VAL A 56 2.550 11.606 -1.210 1.00 0.00 C ATOM 857 CG2 VAL A 56 0.877 9.979 -0.255 1.00 0.00 C ATOM 0 H VAL A 56 4.592 11.180 0.538 1.00 0.00 H new ATOM 0 HA VAL A 56 2.965 8.797 0.714 1.00 0.00 H new ATOM 0 HB VAL A 56 2.231 11.195 0.859 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.755 12.349 -1.271 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.500 12.106 -1.019 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.610 11.060 -2.152 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.115 10.754 -0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.878 9.376 -1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.658 9.343 0.603 1.00 0.00 H new ATOM 867 N LEU A 57 3.699 7.572 -1.259 1.00 0.00 N ATOM 868 CA LEU A 57 3.995 6.800 -2.454 1.00 0.00 C ATOM 869 C LEU A 57 3.115 7.293 -3.604 1.00 0.00 C ATOM 870 O LEU A 57 1.891 7.181 -3.547 1.00 0.00 O ATOM 871 CB LEU A 57 3.857 5.303 -2.172 1.00 0.00 C ATOM 872 CG LEU A 57 4.742 4.746 -1.055 1.00 0.00 C ATOM 873 CD1 LEU A 57 4.064 3.566 -0.356 1.00 0.00 C ATOM 874 CD2 LEU A 57 6.128 4.377 -1.587 1.00 0.00 C ATOM 0 H LEU A 57 3.521 7.014 -0.424 1.00 0.00 H new ATOM 0 HA LEU A 57 5.031 6.949 -2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.817 5.095 -1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.079 4.759 -3.090 1.00 0.00 H new ATOM 0 HG LEU A 57 4.881 5.527 -0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.714 3.189 0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.119 3.894 0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.875 2.774 -1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.737 3.984 -0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.029 3.620 -2.365 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.606 5.264 -2.002 1.00 0.00 H new ATOM 886 N GLN A 58 3.773 7.829 -4.622 1.00 0.00 N ATOM 887 CA GLN A 58 3.066 8.340 -5.785 1.00 0.00 C ATOM 888 C GLN A 58 2.337 7.203 -6.504 1.00 0.00 C ATOM 889 O GLN A 58 2.849 6.088 -6.588 1.00 0.00 O ATOM 890 CB GLN A 58 4.022 9.065 -6.733 1.00 0.00 C ATOM 891 CG GLN A 58 3.958 10.580 -6.524 1.00 0.00 C ATOM 892 CD GLN A 58 4.391 10.956 -5.106 1.00 0.00 C ATOM 893 OE1 GLN A 58 3.425 11.502 -4.372 1.00 0.00 O flip ATOM 894 NE2 GLN A 58 5.527 10.764 -4.704 1.00 0.00 N flip ATOM 0 H GLN A 58 4.788 7.921 -4.666 1.00 0.00 H new ATOM 0 HA GLN A 58 2.325 9.064 -5.447 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.040 8.714 -6.567 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.767 8.826 -7.765 1.00 0.00 H new ATOM 0 HG2 GLN A 58 4.602 11.078 -7.249 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.943 10.933 -6.704 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.221 10.340 -5.320 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.782 11.027 -3.752 1.00 0.00 H new ATOM 903 N ASP A 59 1.154 7.526 -7.006 1.00 0.00 N ATOM 904 CA ASP A 59 0.350 6.545 -7.716 1.00 0.00 C ATOM 905 C ASP A 59 1.125 6.043 -8.935 1.00 0.00 C ATOM 906 O ASP A 59 1.362 4.844 -9.074 1.00 0.00 O ATOM 907 CB ASP A 59 -0.960 7.162 -8.210 1.00 0.00 C ATOM 908 CG ASP A 59 -0.857 8.616 -8.673 1.00 0.00 C ATOM 909 OD1 ASP A 59 -1.013 9.501 -7.804 1.00 0.00 O ATOM 910 OD2 ASP A 59 -0.623 8.811 -9.886 1.00 0.00 O ATOM 0 H ASP A 59 0.733 8.452 -6.935 1.00 0.00 H new ATOM 0 HA ASP A 59 0.128 5.729 -7.029 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.339 6.560 -9.036 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.696 7.103 -7.409 1.00 0.00 H new ATOM 915 N ASP A 60 1.500 6.985 -9.788 1.00 0.00 N ATOM 916 CA ASP A 60 2.244 6.653 -10.992 1.00 0.00 C ATOM 917 C ASP A 60 3.480 5.835 -10.612 1.00 0.00 C ATOM 918 O ASP A 60 3.892 4.945 -11.354 1.00 0.00 O ATOM 919 CB ASP A 60 2.715 7.916 -11.714 1.00 0.00 C ATOM 920 CG ASP A 60 2.298 8.015 -13.183 1.00 0.00 C ATOM 921 OD1 ASP A 60 3.070 7.510 -14.027 1.00 0.00 O ATOM 922 OD2 ASP A 60 1.217 8.593 -13.428 1.00 0.00 O ATOM 0 H ASP A 60 1.303 7.979 -9.669 1.00 0.00 H new ATOM 0 HA ASP A 60 1.586 6.087 -11.651 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.328 8.786 -11.183 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.802 7.965 -11.657 1.00 0.00 H new ATOM 927 N LYS A 61 4.038 6.167 -9.457 1.00 0.00 N ATOM 928 CA LYS A 61 5.219 5.475 -8.969 1.00 0.00 C ATOM 929 C LYS A 61 4.892 3.993 -8.774 1.00 0.00 C ATOM 930 O LYS A 61 3.723 3.612 -8.729 1.00 0.00 O ATOM 931 CB LYS A 61 5.758 6.158 -7.711 1.00 0.00 C ATOM 932 CG LYS A 61 6.959 7.047 -8.041 1.00 0.00 C ATOM 933 CD LYS A 61 8.272 6.358 -7.662 1.00 0.00 C ATOM 934 CE LYS A 61 9.284 6.439 -8.806 1.00 0.00 C ATOM 935 NZ LYS A 61 10.162 7.619 -8.639 1.00 0.00 N ATOM 0 H LYS A 61 3.694 6.907 -8.845 1.00 0.00 H new ATOM 0 HA LYS A 61 6.024 5.530 -9.702 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.972 6.758 -7.254 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.049 5.404 -6.980 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.961 7.281 -9.106 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.873 7.993 -7.507 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.688 6.826 -6.770 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.081 5.314 -7.414 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.886 5.531 -8.831 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.760 6.501 -9.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.843 7.659 -9.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.585 8.484 -8.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.676 7.544 -7.738 1.00 0.00 H new ATOM 949 N LYS A 62 5.945 3.198 -8.662 1.00 0.00 N ATOM 950 CA LYS A 62 5.785 1.766 -8.471 1.00 0.00 C ATOM 951 C LYS A 62 6.409 1.361 -7.135 1.00 0.00 C ATOM 952 O LYS A 62 7.295 2.046 -6.626 1.00 0.00 O ATOM 953 CB LYS A 62 6.348 1.000 -9.670 1.00 0.00 C ATOM 954 CG LYS A 62 5.902 1.639 -10.987 1.00 0.00 C ATOM 955 CD LYS A 62 6.565 0.951 -12.182 1.00 0.00 C ATOM 956 CE LYS A 62 5.611 0.885 -13.376 1.00 0.00 C ATOM 957 NZ LYS A 62 6.370 0.853 -14.646 1.00 0.00 N ATOM 0 H LYS A 62 6.913 3.518 -8.700 1.00 0.00 H new ATOM 0 HA LYS A 62 4.728 1.504 -8.422 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.437 0.986 -9.619 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.014 -0.037 -9.633 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.818 1.572 -11.079 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.157 2.699 -10.986 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.468 1.493 -12.463 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.872 -0.056 -11.902 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.983 -0.003 -13.298 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.945 1.748 -13.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.707 0.808 -15.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.950 1.712 -14.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.987 0.016 -14.661 1.00 0.00 H new ATOM 971 N LEU A 63 5.923 0.248 -6.604 1.00 0.00 N ATOM 972 CA LEU A 63 6.422 -0.257 -5.337 1.00 0.00 C ATOM 973 C LEU A 63 7.927 -0.511 -5.451 1.00 0.00 C ATOM 974 O LEU A 63 8.716 0.076 -4.713 1.00 0.00 O ATOM 975 CB LEU A 63 5.623 -1.485 -4.897 1.00 0.00 C ATOM 976 CG LEU A 63 4.140 -1.491 -5.274 1.00 0.00 C ATOM 977 CD1 LEU A 63 3.578 -0.068 -5.308 1.00 0.00 C ATOM 978 CD2 LEU A 63 3.913 -2.228 -6.596 1.00 0.00 C ATOM 0 H LEU A 63 5.189 -0.318 -7.029 1.00 0.00 H new ATOM 0 HA LEU A 63 6.282 0.484 -4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.090 -2.371 -5.327 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.702 -1.576 -3.814 1.00 0.00 H new ATOM 0 HG LEU A 63 3.594 -2.036 -4.504 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.523 -0.100 -5.578 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.687 0.390 -4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.124 0.521 -6.045 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.851 -2.218 -6.841 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.473 -1.733 -7.389 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.253 -3.259 -6.501 1.00 0.00 H new ATOM 990 N GLN A 64 8.278 -1.386 -6.381 1.00 0.00 N ATOM 991 CA GLN A 64 9.674 -1.725 -6.601 1.00 0.00 C ATOM 992 C GLN A 64 10.535 -0.461 -6.591 1.00 0.00 C ATOM 993 O GLN A 64 11.569 -0.415 -5.926 1.00 0.00 O ATOM 994 CB GLN A 64 9.851 -2.499 -7.909 1.00 0.00 C ATOM 995 CG GLN A 64 11.251 -3.108 -8.001 1.00 0.00 C ATOM 996 CD GLN A 64 11.614 -3.433 -9.451 1.00 0.00 C ATOM 997 OE1 GLN A 64 11.396 -4.529 -9.942 1.00 0.00 O ATOM 998 NE2 GLN A 64 12.178 -2.423 -10.107 1.00 0.00 N ATOM 0 H GLN A 64 7.620 -1.871 -6.991 1.00 0.00 H new ATOM 0 HA GLN A 64 10.003 -2.372 -5.787 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.102 -3.289 -7.973 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.684 -1.833 -8.755 1.00 0.00 H new ATOM 0 HG2 GLN A 64 11.981 -2.413 -7.587 1.00 0.00 H new ATOM 0 HG3 GLN A 64 11.297 -4.015 -7.399 1.00 0.00 H new ATOM 0 HE21 GLN A 64 12.332 -1.531 -9.636 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.457 -2.540 -11.081 1.00 0.00 H new ATOM 1007 N GLU A 65 10.077 0.535 -7.335 1.00 0.00 N ATOM 1008 CA GLU A 65 10.792 1.797 -7.421 1.00 0.00 C ATOM 1009 C GLU A 65 11.218 2.260 -6.026 1.00 0.00 C ATOM 1010 O GLU A 65 12.394 2.539 -5.793 1.00 0.00 O ATOM 1011 CB GLU A 65 9.943 2.862 -8.117 1.00 0.00 C ATOM 1012 CG GLU A 65 10.482 3.163 -9.517 1.00 0.00 C ATOM 1013 CD GLU A 65 11.797 3.942 -9.443 1.00 0.00 C ATOM 1014 OE1 GLU A 65 12.757 3.381 -8.871 1.00 0.00 O ATOM 1015 OE2 GLU A 65 11.813 5.081 -9.959 1.00 0.00 O ATOM 0 H GLU A 65 9.219 0.493 -7.884 1.00 0.00 H new ATOM 0 HA GLU A 65 11.688 1.645 -8.022 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.910 2.521 -8.187 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.938 3.775 -7.521 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.638 2.230 -10.059 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.746 3.738 -10.078 1.00 0.00 H new ATOM 1022 N TYR A 66 10.240 2.328 -5.135 1.00 0.00 N ATOM 1023 CA TYR A 66 10.499 2.753 -3.770 1.00 0.00 C ATOM 1024 C TYR A 66 11.332 1.711 -3.020 1.00 0.00 C ATOM 1025 O TYR A 66 12.056 2.047 -2.085 1.00 0.00 O ATOM 1026 CB TYR A 66 9.130 2.873 -3.099 1.00 0.00 C ATOM 1027 CG TYR A 66 8.352 4.131 -3.492 1.00 0.00 C ATOM 1028 CD1 TYR A 66 8.845 5.378 -3.166 1.00 0.00 C ATOM 1029 CD2 TYR A 66 7.158 4.018 -4.175 1.00 0.00 C ATOM 1030 CE1 TYR A 66 8.113 6.561 -3.536 1.00 0.00 C ATOM 1031 CE2 TYR A 66 6.426 5.201 -4.545 1.00 0.00 C ATOM 1032 CZ TYR A 66 6.939 6.414 -4.208 1.00 0.00 C ATOM 1033 OH TYR A 66 6.248 7.532 -4.558 1.00 0.00 O ATOM 0 H TYR A 66 9.266 2.096 -5.332 1.00 0.00 H new ATOM 0 HA TYR A 66 11.054 3.691 -3.759 1.00 0.00 H new ATOM 0 HB2 TYR A 66 8.534 1.996 -3.353 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.265 2.865 -2.017 1.00 0.00 H new ATOM 0 HD1 TYR A 66 9.780 5.466 -2.633 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.773 3.042 -4.432 1.00 0.00 H new ATOM 0 HE1 TYR A 66 8.487 7.543 -3.286 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.490 5.127 -5.079 1.00 0.00 H new ATOM 0 HH TYR A 66 6.734 8.010 -5.263 1.00 0.00 H new ATOM 1043 N ASN A 67 11.201 0.468 -3.459 1.00 0.00 N ATOM 1044 CA ASN A 67 11.932 -0.625 -2.842 1.00 0.00 C ATOM 1045 C ASN A 67 11.213 -1.055 -1.562 1.00 0.00 C ATOM 1046 O ASN A 67 11.844 -1.242 -0.523 1.00 0.00 O ATOM 1047 CB ASN A 67 13.351 -0.195 -2.465 1.00 0.00 C ATOM 1048 CG ASN A 67 14.348 -1.333 -2.693 1.00 0.00 C ATOM 1049 OD1 ASN A 67 14.905 -1.498 -3.765 1.00 0.00 O ATOM 1050 ND2 ASN A 67 14.540 -2.106 -1.628 1.00 0.00 N ATOM 0 H ASN A 67 10.599 0.194 -4.235 1.00 0.00 H new ATOM 0 HA ASN A 67 11.982 -1.444 -3.559 1.00 0.00 H new ATOM 0 HB2 ASN A 67 13.642 0.672 -3.058 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.376 0.111 -1.419 1.00 0.00 H new ATOM 0 HD21 ASN A 67 15.187 -2.893 -1.679 1.00 0.00 H new ATOM 0 HD22 ASN A 67 14.041 -1.912 -0.760 1.00 0.00 H new ATOM 1057 N VAL A 68 9.901 -1.199 -1.678 1.00 0.00 N ATOM 1058 CA VAL A 68 9.088 -1.603 -0.543 1.00 0.00 C ATOM 1059 C VAL A 68 8.927 -3.125 -0.553 1.00 0.00 C ATOM 1060 O VAL A 68 7.934 -3.651 -0.053 1.00 0.00 O ATOM 1061 CB VAL A 68 7.751 -0.861 -0.565 1.00 0.00 C ATOM 1062 CG1 VAL A 68 7.966 0.652 -0.646 1.00 0.00 C ATOM 1063 CG2 VAL A 68 6.870 -1.351 -1.716 1.00 0.00 C ATOM 0 H VAL A 68 9.380 -1.043 -2.541 1.00 0.00 H new ATOM 0 HA VAL A 68 9.578 -1.333 0.392 1.00 0.00 H new ATOM 0 HB VAL A 68 7.233 -1.077 0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.000 1.157 -0.660 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.537 0.985 0.221 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.515 0.893 -1.556 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.926 -0.807 -1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.380 -1.179 -2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.676 -2.417 -1.597 1.00 0.00 H new ATOM 1073 N GLY A 69 9.919 -3.789 -1.127 1.00 0.00 N ATOM 1074 CA GLY A 69 9.900 -5.240 -1.209 1.00 0.00 C ATOM 1075 C GLY A 69 10.114 -5.869 0.169 1.00 0.00 C ATOM 1076 O GLY A 69 11.208 -5.795 0.727 1.00 0.00 O ATOM 0 H GLY A 69 10.741 -3.349 -1.540 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.947 -5.572 -1.620 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.678 -5.580 -1.893 1.00 0.00 H new ATOM 1080 N GLY A 70 9.052 -6.475 0.679 1.00 0.00 N ATOM 1081 CA GLY A 70 9.110 -7.117 1.981 1.00 0.00 C ATOM 1082 C GLY A 70 9.209 -6.079 3.101 1.00 0.00 C ATOM 1083 O GLY A 70 9.362 -6.433 4.269 1.00 0.00 O ATOM 0 H GLY A 70 8.146 -6.535 0.214 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.222 -7.731 2.127 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.970 -7.785 2.023 1.00 0.00 H new ATOM 1087 N LYS A 71 9.117 -4.818 2.705 1.00 0.00 N ATOM 1088 CA LYS A 71 9.194 -3.726 3.660 1.00 0.00 C ATOM 1089 C LYS A 71 7.808 -3.481 4.261 1.00 0.00 C ATOM 1090 O LYS A 71 6.821 -4.063 3.812 1.00 0.00 O ATOM 1091 CB LYS A 71 9.809 -2.486 3.008 1.00 0.00 C ATOM 1092 CG LYS A 71 11.264 -2.741 2.609 1.00 0.00 C ATOM 1093 CD LYS A 71 12.193 -2.617 3.818 1.00 0.00 C ATOM 1094 CE LYS A 71 13.632 -2.980 3.444 1.00 0.00 C ATOM 1095 NZ LYS A 71 14.590 -2.273 4.323 1.00 0.00 N ATOM 0 H LYS A 71 8.990 -4.528 1.735 1.00 0.00 H new ATOM 0 HA LYS A 71 9.858 -3.987 4.484 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.230 -2.209 2.127 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.760 -1.645 3.700 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.357 -3.737 2.175 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.564 -2.029 1.840 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.160 -1.598 4.204 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.845 -3.272 4.617 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.776 -4.057 3.531 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.821 -2.716 2.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.562 -2.530 4.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.463 -1.246 4.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.419 -2.545 5.312 1.00 0.00 H new ATOM 1109 N VAL A 72 7.778 -2.619 5.267 1.00 0.00 N ATOM 1110 CA VAL A 72 6.530 -2.290 5.934 1.00 0.00 C ATOM 1111 C VAL A 72 6.146 -0.847 5.604 1.00 0.00 C ATOM 1112 O VAL A 72 6.860 0.088 5.963 1.00 0.00 O ATOM 1113 CB VAL A 72 6.657 -2.547 7.437 1.00 0.00 C ATOM 1114 CG1 VAL A 72 5.502 -1.898 8.203 1.00 0.00 C ATOM 1115 CG2 VAL A 72 6.738 -4.045 7.732 1.00 0.00 C ATOM 0 H VAL A 72 8.598 -2.138 5.636 1.00 0.00 H new ATOM 0 HA VAL A 72 5.724 -2.930 5.575 1.00 0.00 H new ATOM 0 HB VAL A 72 7.585 -2.088 7.779 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.616 -2.095 9.269 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.510 -0.822 8.030 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.556 -2.314 7.856 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.828 -4.200 8.807 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.836 -4.537 7.369 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.609 -4.468 7.231 1.00 0.00 H new ATOM 1125 N ILE A 73 5.017 -0.709 4.923 1.00 0.00 N ATOM 1126 CA ILE A 73 4.529 0.605 4.540 1.00 0.00 C ATOM 1127 C ILE A 73 3.529 1.097 5.588 1.00 0.00 C ATOM 1128 O ILE A 73 3.159 0.354 6.496 1.00 0.00 O ATOM 1129 CB ILE A 73 3.965 0.574 3.118 1.00 0.00 C ATOM 1130 CG1 ILE A 73 4.804 -0.333 2.215 1.00 0.00 C ATOM 1131 CG2 ILE A 73 3.835 1.988 2.549 1.00 0.00 C ATOM 1132 CD1 ILE A 73 4.104 -0.572 0.876 1.00 0.00 C ATOM 0 H ILE A 73 4.426 -1.486 4.627 1.00 0.00 H new ATOM 0 HA ILE A 73 5.348 1.324 4.517 1.00 0.00 H new ATOM 0 HB ILE A 73 2.962 0.150 3.157 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.780 0.121 2.043 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.979 -1.287 2.713 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.432 1.938 1.538 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.164 2.573 3.178 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.816 2.462 2.525 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.721 -1.219 0.253 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.139 -1.048 1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.952 0.381 0.370 1.00 0.00 H new ATOM 1144 N HIS A 74 3.120 2.347 5.427 1.00 0.00 N ATOM 1145 CA HIS A 74 2.170 2.948 6.348 1.00 0.00 C ATOM 1146 C HIS A 74 0.988 3.522 5.564 1.00 0.00 C ATOM 1147 O HIS A 74 1.053 4.647 5.072 1.00 0.00 O ATOM 1148 CB HIS A 74 2.856 3.990 7.234 1.00 0.00 C ATOM 1149 CG HIS A 74 3.647 3.400 8.376 1.00 0.00 C ATOM 1150 ND1 HIS A 74 3.050 2.778 9.459 1.00 0.00 N ATOM 1151 CD2 HIS A 74 4.993 3.342 8.593 1.00 0.00 C ATOM 1152 CE1 HIS A 74 4.003 2.369 10.285 1.00 0.00 C ATOM 1153 NE2 HIS A 74 5.206 2.720 9.746 1.00 0.00 N ATOM 0 H HIS A 74 3.429 2.960 4.673 1.00 0.00 H new ATOM 0 HA HIS A 74 1.779 2.185 7.021 1.00 0.00 H new ATOM 0 HB2 HIS A 74 3.522 4.594 6.618 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.100 4.662 7.639 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.756 3.736 7.938 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.853 1.849 11.220 1.00 0.00 H new ATOM 0 HE2 HIS A 74 6.119 2.535 10.161 1.00 0.00 H new ATOM 1161 N LEU A 75 -0.064 2.722 5.473 1.00 0.00 N ATOM 1162 CA LEU A 75 -1.259 3.137 4.757 1.00 0.00 C ATOM 1163 C LEU A 75 -2.171 3.917 5.705 1.00 0.00 C ATOM 1164 O LEU A 75 -2.168 3.678 6.912 1.00 0.00 O ATOM 1165 CB LEU A 75 -1.937 1.931 4.104 1.00 0.00 C ATOM 1166 CG LEU A 75 -3.412 2.109 3.735 1.00 0.00 C ATOM 1167 CD1 LEU A 75 -3.562 2.952 2.467 1.00 0.00 C ATOM 1168 CD2 LEU A 75 -4.113 0.755 3.610 1.00 0.00 C ATOM 0 H LEU A 75 -0.114 1.789 5.883 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.000 3.809 3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.385 1.675 3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.852 1.081 4.781 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.903 2.652 4.542 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.619 3.063 2.227 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.121 3.936 2.630 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.052 2.459 1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.159 0.910 3.347 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.627 0.164 2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.052 0.225 4.560 1.00 0.00 H new ATOM 1180 N VAL A 76 -2.931 4.833 5.124 1.00 0.00 N ATOM 1181 CA VAL A 76 -3.847 5.650 5.902 1.00 0.00 C ATOM 1182 C VAL A 76 -5.137 5.862 5.106 1.00 0.00 C ATOM 1183 O VAL A 76 -5.100 6.009 3.885 1.00 0.00 O ATOM 1184 CB VAL A 76 -3.168 6.962 6.301 1.00 0.00 C ATOM 1185 CG1 VAL A 76 -1.968 6.703 7.214 1.00 0.00 C ATOM 1186 CG2 VAL A 76 -2.754 7.763 5.065 1.00 0.00 C ATOM 0 H VAL A 76 -2.931 5.028 4.123 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.117 5.144 6.829 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.891 7.557 6.859 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.504 7.652 7.483 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.302 6.194 8.118 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.242 6.079 6.693 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.274 8.691 5.377 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.056 7.176 4.468 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.637 7.994 4.469 1.00 0.00 H new ATOM 1196 N GLU A 77 -6.246 5.870 5.830 1.00 0.00 N ATOM 1197 CA GLU A 77 -7.545 6.061 5.207 1.00 0.00 C ATOM 1198 C GLU A 77 -8.172 7.375 5.679 1.00 0.00 C ATOM 1199 O GLU A 77 -8.106 7.708 6.861 1.00 0.00 O ATOM 1200 CB GLU A 77 -8.471 4.877 5.494 1.00 0.00 C ATOM 1201 CG GLU A 77 -9.836 5.076 4.832 1.00 0.00 C ATOM 1202 CD GLU A 77 -10.968 4.683 5.783 1.00 0.00 C ATOM 1203 OE1 GLU A 77 -10.930 5.159 6.938 1.00 0.00 O ATOM 1204 OE2 GLU A 77 -11.846 3.916 5.333 1.00 0.00 O ATOM 0 H GLU A 77 -6.272 5.747 6.842 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.404 6.115 4.128 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.016 3.957 5.127 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.598 4.763 6.571 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.951 6.118 4.534 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.895 4.477 3.924 1.00 0.00 H new