USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 573 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 MET CE :methyl 134:sc= -2.4 (180deg=-4.81!) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 41 THR OG1 : rot -74:sc= -0.571! USER MOD Set 2.2: A 48 GLN : amide:sc= -8.13! C(o=-15!,f=-26!) USER MOD Set 2.3: A 75 MET CE :methyl 146:sc= -6.05! (180deg=-6.64!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -1.71 K(o=-1.7,f=-3.8!) USER MOD Single : A 26 THR OG1 : rot -114:sc= 0.587 USER MOD Single : A 31 MET CE :methyl -130:sc= -0.593 (180deg=-2.82!) USER MOD Single : A 34 LYS NZ :NH3+ 155:sc= -0.901 (180deg=-2.59!) USER MOD Single : A 36 GLN : amide:sc= -2.37 K(o=-2.4,f=-0.37) USER MOD Single : A 44 GLN : amide:sc= -6.69! C(o=-6.7!,f=-9!) USER MOD Single : A 49 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.248) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.308 K(o=-0.31,f=-0.86!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl 164:sc= -1.33 (180deg=-1.82) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -2.8! C(o=-2.8!,f=-7!) USER MOD Single : A 71 MET CE :methyl 152:sc= -0.115 (180deg=-0.701) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -5.500 3.814 -13.925 1.00 0.00 N ATOM 60 CA GLY A 7 -5.130 4.188 -12.571 1.00 0.00 C ATOM 61 C GLY A 7 -6.362 4.251 -11.664 1.00 0.00 C ATOM 62 O GLY A 7 -7.256 5.067 -11.881 1.00 0.00 O ATOM 0 HA2 GLY A 7 -4.417 3.466 -12.172 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.631 5.157 -12.581 1.00 0.00 H new ATOM 66 N TYR A 8 -6.368 3.378 -10.668 1.00 0.00 N ATOM 67 CA TYR A 8 -7.475 3.324 -9.728 1.00 0.00 C ATOM 68 C TYR A 8 -7.146 4.096 -8.448 1.00 0.00 C ATOM 69 O TYR A 8 -5.982 4.387 -8.177 1.00 0.00 O ATOM 70 CB TYR A 8 -7.663 1.845 -9.383 1.00 0.00 C ATOM 71 CG TYR A 8 -8.312 1.024 -10.498 1.00 0.00 C ATOM 72 CD1 TYR A 8 -7.543 0.539 -11.536 1.00 0.00 C ATOM 73 CD2 TYR A 8 -9.668 0.768 -10.466 1.00 0.00 C ATOM 74 CE1 TYR A 8 -8.154 -0.234 -12.586 1.00 0.00 C ATOM 75 CE2 TYR A 8 -10.280 -0.006 -11.516 1.00 0.00 C ATOM 76 CZ TYR A 8 -9.492 -0.468 -12.524 1.00 0.00 C ATOM 77 OH TYR A 8 -10.070 -1.198 -13.516 1.00 0.00 O ATOM 0 H TYR A 8 -5.624 2.702 -10.491 1.00 0.00 H new ATOM 0 HA TYR A 8 -8.370 3.769 -10.163 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -6.692 1.412 -9.145 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -8.275 1.767 -8.485 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.482 0.739 -11.561 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -10.270 1.148 -9.654 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.563 -0.619 -13.404 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.340 -0.214 -11.503 1.00 0.00 H new ATOM 0 HH TYR A 8 -11.030 -1.286 -13.340 1.00 0.00 H new ATOM 87 N SER A 9 -8.192 4.404 -7.696 1.00 0.00 N ATOM 88 CA SER A 9 -8.028 5.137 -6.451 1.00 0.00 C ATOM 89 C SER A 9 -8.580 4.315 -5.285 1.00 0.00 C ATOM 90 O SER A 9 -9.782 4.063 -5.212 1.00 0.00 O ATOM 91 CB SER A 9 -8.724 6.498 -6.518 1.00 0.00 C ATOM 92 OG SER A 9 -9.011 6.886 -7.859 1.00 0.00 O ATOM 0 H SER A 9 -9.156 4.160 -7.924 1.00 0.00 H new ATOM 0 HA SER A 9 -6.964 5.311 -6.293 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.651 6.460 -5.946 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.091 7.252 -6.050 1.00 0.00 H new ATOM 0 HG SER A 9 -9.456 7.759 -7.859 1.00 0.00 H new ATOM 98 N VAL A 10 -7.675 3.920 -4.401 1.00 0.00 N ATOM 99 CA VAL A 10 -8.056 3.133 -3.241 1.00 0.00 C ATOM 100 C VAL A 10 -7.574 3.836 -1.971 1.00 0.00 C ATOM 101 O VAL A 10 -6.861 4.836 -2.044 1.00 0.00 O ATOM 102 CB VAL A 10 -7.517 1.707 -3.376 1.00 0.00 C ATOM 103 CG1 VAL A 10 -7.989 1.064 -4.682 1.00 0.00 C ATOM 104 CG2 VAL A 10 -5.990 1.687 -3.275 1.00 0.00 C ATOM 0 H VAL A 10 -6.679 4.131 -4.465 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.141 3.052 -3.175 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.915 1.118 -2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.592 0.051 -4.753 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.078 1.029 -4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.633 1.653 -5.527 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.632 0.662 -3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.565 2.298 -4.071 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.684 2.086 -2.308 1.00 0.00 H new ATOM 114 N THR A 11 -7.981 3.286 -0.836 1.00 0.00 N ATOM 115 CA THR A 11 -7.599 3.849 0.448 1.00 0.00 C ATOM 116 C THR A 11 -6.702 2.873 1.212 1.00 0.00 C ATOM 117 O THR A 11 -7.063 1.713 1.405 1.00 0.00 O ATOM 118 CB THR A 11 -8.879 4.216 1.202 1.00 0.00 C ATOM 119 OG1 THR A 11 -9.239 5.490 0.676 1.00 0.00 O ATOM 120 CG2 THR A 11 -8.626 4.484 2.687 1.00 0.00 C ATOM 0 H THR A 11 -8.572 2.456 -0.779 1.00 0.00 H new ATOM 0 HA THR A 11 -7.007 4.756 0.323 1.00 0.00 H new ATOM 0 HB THR A 11 -9.606 3.411 1.097 1.00 0.00 H new ATOM 0 HG1 THR A 11 -10.061 5.802 1.109 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.566 4.740 3.176 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.207 3.592 3.152 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.925 5.312 2.793 1.00 0.00 H new ATOM 128 N VAL A 12 -5.550 3.379 1.626 1.00 0.00 N ATOM 129 CA VAL A 12 -4.598 2.567 2.364 1.00 0.00 C ATOM 130 C VAL A 12 -4.894 2.676 3.861 1.00 0.00 C ATOM 131 O VAL A 12 -4.926 3.775 4.413 1.00 0.00 O ATOM 132 CB VAL A 12 -3.169 2.979 2.006 1.00 0.00 C ATOM 133 CG1 VAL A 12 -2.157 2.329 2.952 1.00 0.00 C ATOM 134 CG2 VAL A 12 -2.850 2.644 0.548 1.00 0.00 C ATOM 0 H VAL A 12 -5.254 4.342 1.464 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.698 1.517 2.088 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.093 4.060 2.125 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.149 2.639 2.675 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.364 2.640 3.976 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.236 1.244 2.880 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.828 2.947 0.320 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.954 1.570 0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.541 3.175 -0.107 1.00 0.00 H new ATOM 144 N LYS A 13 -5.104 1.521 4.476 1.00 0.00 N ATOM 145 CA LYS A 13 -5.396 1.473 5.899 1.00 0.00 C ATOM 146 C LYS A 13 -4.245 0.780 6.629 1.00 0.00 C ATOM 147 O LYS A 13 -4.054 -0.427 6.490 1.00 0.00 O ATOM 148 CB LYS A 13 -6.760 0.824 6.144 1.00 0.00 C ATOM 149 CG LYS A 13 -7.766 1.845 6.678 1.00 0.00 C ATOM 150 CD LYS A 13 -9.144 1.209 6.869 1.00 0.00 C ATOM 151 CE LYS A 13 -9.237 0.499 8.221 1.00 0.00 C ATOM 152 NZ LYS A 13 -10.288 -0.543 8.188 1.00 0.00 N ATOM 0 H LYS A 13 -5.078 0.611 4.015 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.470 2.481 6.307 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.133 0.392 5.215 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.654 0.006 6.856 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.412 2.247 7.627 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.841 2.683 5.985 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.915 1.977 6.803 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.334 0.497 6.066 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.276 0.047 8.468 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.459 1.224 9.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.338 -1.015 9.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.206 -0.104 7.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.060 -1.243 7.454 1.00 0.00 H new ATOM 166 N TRP A 14 -3.507 1.573 7.392 1.00 0.00 N ATOM 167 CA TRP A 14 -2.379 1.050 8.144 1.00 0.00 C ATOM 168 C TRP A 14 -2.581 1.418 9.615 1.00 0.00 C ATOM 169 O TRP A 14 -2.499 2.589 9.983 1.00 0.00 O ATOM 170 CB TRP A 14 -1.055 1.565 7.576 1.00 0.00 C ATOM 171 CG TRP A 14 0.181 0.870 8.150 1.00 0.00 C ATOM 172 CD1 TRP A 14 0.386 -0.444 8.318 1.00 0.00 C ATOM 173 CD2 TRP A 14 1.383 1.510 8.629 1.00 0.00 C ATOM 174 NE1 TRP A 14 1.626 -0.696 8.868 1.00 0.00 N ATOM 175 CE2 TRP A 14 2.252 0.530 9.063 1.00 0.00 C ATOM 176 CE3 TRP A 14 1.724 2.872 8.694 1.00 0.00 C ATOM 177 CZ2 TRP A 14 3.518 0.807 9.592 1.00 0.00 C ATOM 178 CZ3 TRP A 14 2.993 3.133 9.225 1.00 0.00 C ATOM 179 CH2 TRP A 14 3.879 2.157 9.666 1.00 0.00 C ATOM 0 H TRP A 14 -3.668 2.574 7.506 1.00 0.00 H new ATOM 0 HA TRP A 14 -2.329 -0.036 8.060 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.061 1.437 6.494 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.980 2.635 7.770 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -0.330 -1.209 8.056 1.00 0.00 H new ATOM 0 HE1 TRP A 14 2.012 -1.613 9.091 1.00 0.00 H new ATOM 0 HE3 TRP A 14 1.060 3.655 8.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.180 0.022 9.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 3.305 4.164 9.297 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.842 2.439 10.064 1.00 0.00 H new ATOM 190 N GLY A 15 -2.841 0.396 10.417 1.00 0.00 N ATOM 191 CA GLY A 15 -3.056 0.596 11.840 1.00 0.00 C ATOM 192 C GLY A 15 -2.097 1.652 12.396 1.00 0.00 C ATOM 193 O GLY A 15 -0.900 1.617 12.116 1.00 0.00 O ATOM 0 H GLY A 15 -2.908 -0.574 10.108 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.086 0.906 12.016 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.912 -0.346 12.369 1.00 0.00 H new ATOM 197 N LYS A 16 -2.660 2.566 13.173 1.00 0.00 N ATOM 198 CA LYS A 16 -1.871 3.629 13.770 1.00 0.00 C ATOM 199 C LYS A 16 -1.856 4.837 12.830 1.00 0.00 C ATOM 200 O LYS A 16 -1.711 5.974 13.276 1.00 0.00 O ATOM 201 CB LYS A 16 -0.476 3.119 14.138 1.00 0.00 C ATOM 202 CG LYS A 16 0.004 3.737 15.453 1.00 0.00 C ATOM 203 CD LYS A 16 0.653 5.102 15.213 1.00 0.00 C ATOM 204 CE LYS A 16 0.584 5.970 16.471 1.00 0.00 C ATOM 205 NZ LYS A 16 1.539 5.482 17.491 1.00 0.00 N ATOM 0 H LYS A 16 -3.653 2.592 13.403 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.322 3.958 14.706 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.494 2.033 14.228 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.226 3.362 13.340 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.838 3.846 16.136 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.720 3.069 15.933 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.693 4.967 14.916 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.150 5.608 14.389 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.811 7.006 16.218 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.428 5.955 16.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.479 6.082 18.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.305 4.501 17.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.505 5.519 17.108 1.00 0.00 H new ATOM 219 N GLU A 17 -2.007 4.548 11.546 1.00 0.00 N ATOM 220 CA GLU A 17 -2.013 5.596 10.539 1.00 0.00 C ATOM 221 C GLU A 17 -3.285 5.512 9.693 1.00 0.00 C ATOM 222 O GLU A 17 -4.019 4.528 9.765 1.00 0.00 O ATOM 223 CB GLU A 17 -0.763 5.518 9.660 1.00 0.00 C ATOM 224 CG GLU A 17 0.502 5.404 10.513 1.00 0.00 C ATOM 225 CD GLU A 17 1.079 6.786 10.826 1.00 0.00 C ATOM 226 OE1 GLU A 17 1.708 7.359 9.910 1.00 0.00 O ATOM 227 OE2 GLU A 17 0.879 7.238 11.974 1.00 0.00 O ATOM 0 H GLU A 17 -2.126 3.604 11.180 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.001 6.561 11.046 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.836 4.658 8.994 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.702 6.405 9.029 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.272 4.883 11.442 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.246 4.806 9.988 1.00 0.00 H new ATOM 234 N LYS A 18 -3.507 6.558 8.911 1.00 0.00 N ATOM 235 CA LYS A 18 -4.677 6.615 8.052 1.00 0.00 C ATOM 236 C LYS A 18 -4.305 7.299 6.734 1.00 0.00 C ATOM 237 O LYS A 18 -3.694 8.366 6.736 1.00 0.00 O ATOM 238 CB LYS A 18 -5.845 7.282 8.781 1.00 0.00 C ATOM 239 CG LYS A 18 -7.024 7.513 7.833 1.00 0.00 C ATOM 240 CD LYS A 18 -8.331 7.015 8.451 1.00 0.00 C ATOM 241 CE LYS A 18 -8.800 7.949 9.569 1.00 0.00 C ATOM 242 NZ LYS A 18 -10.278 8.019 9.599 1.00 0.00 N ATOM 0 H LYS A 18 -2.896 7.373 8.854 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.017 5.609 7.805 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.162 6.657 9.616 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.520 8.234 9.201 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.108 8.575 7.604 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.844 6.997 6.890 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.100 6.949 7.681 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.190 6.009 8.847 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.427 7.593 10.529 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.386 8.946 9.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.580 8.657 10.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.627 8.380 8.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.667 7.069 9.767 1.00 0.00 H new ATOM 256 N PHE A 19 -4.689 6.655 5.642 1.00 0.00 N ATOM 257 CA PHE A 19 -4.403 7.187 4.320 1.00 0.00 C ATOM 258 C PHE A 19 -5.624 7.069 3.406 1.00 0.00 C ATOM 259 O PHE A 19 -6.096 5.967 3.134 1.00 0.00 O ATOM 260 CB PHE A 19 -3.262 6.350 3.738 1.00 0.00 C ATOM 261 CG PHE A 19 -2.001 6.328 4.605 1.00 0.00 C ATOM 262 CD1 PHE A 19 -1.206 7.429 4.677 1.00 0.00 C ATOM 263 CD2 PHE A 19 -1.676 5.208 5.304 1.00 0.00 C ATOM 264 CE1 PHE A 19 -0.036 7.409 5.482 1.00 0.00 C ATOM 265 CE2 PHE A 19 -0.506 5.187 6.108 1.00 0.00 C ATOM 266 CZ PHE A 19 0.289 6.288 6.180 1.00 0.00 C ATOM 0 H PHE A 19 -5.196 5.770 5.645 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.138 8.242 4.393 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.611 5.327 3.596 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.006 6.739 2.752 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.464 8.319 4.122 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.308 4.334 5.248 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.595 8.283 5.540 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.247 4.297 6.662 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.179 6.272 6.792 1.00 0.00 H new ATOM 276 N GLU A 20 -6.100 8.221 2.956 1.00 0.00 N ATOM 277 CA GLU A 20 -7.257 8.261 2.078 1.00 0.00 C ATOM 278 C GLU A 20 -6.897 8.944 0.757 1.00 0.00 C ATOM 279 O GLU A 20 -6.339 10.040 0.753 1.00 0.00 O ATOM 280 CB GLU A 20 -8.435 8.964 2.755 1.00 0.00 C ATOM 281 CG GLU A 20 -8.851 8.230 4.032 1.00 0.00 C ATOM 282 CD GLU A 20 -10.374 8.187 4.169 1.00 0.00 C ATOM 283 OE1 GLU A 20 -11.037 8.122 3.111 1.00 0.00 O ATOM 284 OE2 GLU A 20 -10.841 8.218 5.328 1.00 0.00 O ATOM 0 H GLU A 20 -5.705 9.134 3.183 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.562 7.237 1.864 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.161 9.991 2.995 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.279 9.011 2.067 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.455 7.215 4.017 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.418 8.728 4.899 1.00 0.00 H new ATOM 291 N GLY A 21 -7.232 8.268 -0.332 1.00 0.00 N ATOM 292 CA GLY A 21 -6.951 8.796 -1.656 1.00 0.00 C ATOM 293 C GLY A 21 -5.519 8.469 -2.085 1.00 0.00 C ATOM 294 O GLY A 21 -4.714 9.371 -2.312 1.00 0.00 O ATOM 0 H GLY A 21 -7.695 7.359 -0.325 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.654 8.377 -2.375 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.098 9.876 -1.659 1.00 0.00 H new ATOM 298 N VAL A 22 -5.244 7.176 -2.181 1.00 0.00 N ATOM 299 CA VAL A 22 -3.923 6.720 -2.577 1.00 0.00 C ATOM 300 C VAL A 22 -3.918 6.432 -4.080 1.00 0.00 C ATOM 301 O VAL A 22 -4.956 6.115 -4.659 1.00 0.00 O ATOM 302 CB VAL A 22 -3.514 5.509 -1.736 1.00 0.00 C ATOM 303 CG1 VAL A 22 -2.168 4.948 -2.201 1.00 0.00 C ATOM 304 CG2 VAL A 22 -3.475 5.864 -0.248 1.00 0.00 C ATOM 0 H VAL A 22 -5.914 6.430 -1.991 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.179 7.495 -2.391 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.267 4.733 -1.876 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.900 4.088 -1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.243 4.640 -3.244 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.401 5.716 -2.104 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.182 4.986 0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.753 6.664 -0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.463 6.195 0.073 1.00 0.00 H new ATOM 314 N GLU A 23 -2.737 6.553 -4.669 1.00 0.00 N ATOM 315 CA GLU A 23 -2.583 6.310 -6.093 1.00 0.00 C ATOM 316 C GLU A 23 -2.259 4.837 -6.348 1.00 0.00 C ATOM 317 O GLU A 23 -1.342 4.285 -5.741 1.00 0.00 O ATOM 318 CB GLU A 23 -1.508 7.220 -6.692 1.00 0.00 C ATOM 319 CG GLU A 23 -2.125 8.502 -7.252 1.00 0.00 C ATOM 320 CD GLU A 23 -2.403 8.368 -8.751 1.00 0.00 C ATOM 321 OE1 GLU A 23 -1.412 8.269 -9.505 1.00 0.00 O ATOM 322 OE2 GLU A 23 -3.601 8.366 -9.108 1.00 0.00 O ATOM 0 H GLU A 23 -1.878 6.816 -4.186 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.526 6.545 -6.586 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.771 7.470 -5.928 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.979 6.691 -7.484 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.053 8.723 -6.725 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.451 9.341 -7.077 1.00 0.00 H new ATOM 329 N LEU A 24 -3.028 4.241 -7.247 1.00 0.00 N ATOM 330 CA LEU A 24 -2.834 2.843 -7.590 1.00 0.00 C ATOM 331 C LEU A 24 -3.053 2.655 -9.093 1.00 0.00 C ATOM 332 O LEU A 24 -3.942 3.274 -9.676 1.00 0.00 O ATOM 333 CB LEU A 24 -3.724 1.950 -6.723 1.00 0.00 C ATOM 334 CG LEU A 24 -4.062 0.574 -7.302 1.00 0.00 C ATOM 335 CD1 LEU A 24 -3.111 -0.496 -6.762 1.00 0.00 C ATOM 336 CD2 LEU A 24 -5.528 0.218 -7.050 1.00 0.00 C ATOM 0 H LEU A 24 -3.787 4.701 -7.749 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.810 2.537 -7.376 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.233 1.806 -5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.657 2.480 -6.529 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.922 0.614 -8.382 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.373 -1.464 -7.189 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.086 -0.244 -7.036 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.195 -0.543 -5.676 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.742 -0.764 -7.471 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.719 0.202 -5.977 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.169 0.962 -7.522 1.00 0.00 H new ATOM 348 N ASN A 25 -2.228 1.798 -9.676 1.00 0.00 N ATOM 349 CA ASN A 25 -2.320 1.522 -11.100 1.00 0.00 C ATOM 350 C ASN A 25 -2.361 0.008 -11.319 1.00 0.00 C ATOM 351 O ASN A 25 -1.763 -0.750 -10.556 1.00 0.00 O ATOM 352 CB ASN A 25 -1.106 2.076 -11.848 1.00 0.00 C ATOM 353 CG ASN A 25 -1.509 3.231 -12.766 1.00 0.00 C ATOM 354 OD1 ASN A 25 -2.321 4.075 -12.425 1.00 0.00 O ATOM 355 ND2 ASN A 25 -0.897 3.223 -13.947 1.00 0.00 N ATOM 0 H ASN A 25 -1.493 1.286 -9.189 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.224 1.998 -11.479 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.359 2.419 -11.132 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.644 1.283 -12.436 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.098 3.953 -14.630 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.227 2.487 -14.169 1.00 0.00 H new ATOM 362 N THR A 26 -3.072 -0.388 -12.365 1.00 0.00 N ATOM 363 CA THR A 26 -3.198 -1.797 -12.694 1.00 0.00 C ATOM 364 C THR A 26 -2.337 -2.140 -13.911 1.00 0.00 C ATOM 365 O THR A 26 -1.813 -3.248 -14.014 1.00 0.00 O ATOM 366 CB THR A 26 -4.683 -2.105 -12.894 1.00 0.00 C ATOM 367 OG1 THR A 26 -5.184 -0.965 -13.587 1.00 0.00 O ATOM 368 CG2 THR A 26 -5.462 -2.113 -11.577 1.00 0.00 C ATOM 0 H THR A 26 -3.567 0.243 -12.995 1.00 0.00 H new ATOM 0 HA THR A 26 -2.827 -2.426 -11.885 1.00 0.00 H new ATOM 0 HB THR A 26 -4.790 -3.072 -13.385 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.821 -0.488 -13.015 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.510 -2.337 -11.776 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.048 -2.873 -10.914 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.383 -1.135 -11.102 1.00 0.00 H new ATOM 376 N ASP A 27 -2.218 -1.168 -14.804 1.00 0.00 N ATOM 377 CA ASP A 27 -1.429 -1.352 -16.011 1.00 0.00 C ATOM 378 C ASP A 27 -0.091 -1.997 -15.646 1.00 0.00 C ATOM 379 O ASP A 27 0.480 -2.743 -16.441 1.00 0.00 O ATOM 380 CB ASP A 27 -1.139 -0.012 -16.689 1.00 0.00 C ATOM 381 CG ASP A 27 -0.225 -0.092 -17.913 1.00 0.00 C ATOM 382 OD1 ASP A 27 -0.273 -1.142 -18.590 1.00 0.00 O ATOM 383 OD2 ASP A 27 0.501 0.899 -18.145 1.00 0.00 O ATOM 0 H ASP A 27 -2.655 -0.250 -14.716 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.997 -1.985 -16.693 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.085 0.439 -16.989 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.685 0.657 -15.958 1.00 0.00 H new ATOM 388 N GLU A 28 0.372 -1.687 -14.444 1.00 0.00 N ATOM 389 CA GLU A 28 1.633 -2.227 -13.965 1.00 0.00 C ATOM 390 C GLU A 28 1.380 -3.378 -12.989 1.00 0.00 C ATOM 391 O GLU A 28 0.235 -3.764 -12.762 1.00 0.00 O ATOM 392 CB GLU A 28 2.485 -1.135 -13.316 1.00 0.00 C ATOM 393 CG GLU A 28 1.953 0.256 -13.665 1.00 0.00 C ATOM 394 CD GLU A 28 1.830 0.432 -15.180 1.00 0.00 C ATOM 395 OE1 GLU A 28 2.152 -0.544 -15.892 1.00 0.00 O ATOM 396 OE2 GLU A 28 1.417 1.537 -15.592 1.00 0.00 O ATOM 0 H GLU A 28 -0.104 -1.068 -13.787 1.00 0.00 H new ATOM 0 HA GLU A 28 2.188 -2.616 -14.819 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.488 -1.266 -12.234 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.518 -1.228 -13.651 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.979 0.405 -13.198 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.620 1.017 -13.260 1.00 0.00 H new ATOM 403 N PRO A 29 2.498 -3.907 -12.423 1.00 0.00 N ATOM 404 CA PRO A 29 2.409 -5.006 -11.477 1.00 0.00 C ATOM 405 C PRO A 29 1.909 -4.519 -10.115 1.00 0.00 C ATOM 406 O PRO A 29 1.804 -3.316 -9.883 1.00 0.00 O ATOM 407 CB PRO A 29 3.811 -5.591 -11.420 1.00 0.00 C ATOM 408 CG PRO A 29 4.733 -4.517 -11.975 1.00 0.00 C ATOM 409 CD PRO A 29 3.871 -3.475 -12.668 1.00 0.00 C ATOM 0 HA PRO A 29 1.687 -5.764 -11.781 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.085 -5.851 -10.397 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.877 -6.505 -12.010 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.313 -4.060 -11.173 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.445 -4.951 -12.677 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.051 -2.479 -12.263 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.087 -3.429 -13.735 1.00 0.00 H new ATOM 417 N PRO A 30 1.606 -5.504 -9.228 1.00 0.00 N ATOM 418 CA PRO A 30 1.119 -5.188 -7.896 1.00 0.00 C ATOM 419 C PRO A 30 2.255 -4.684 -7.003 1.00 0.00 C ATOM 420 O PRO A 30 2.020 -3.930 -6.060 1.00 0.00 O ATOM 421 CB PRO A 30 0.492 -6.476 -7.390 1.00 0.00 C ATOM 422 CG PRO A 30 1.059 -7.586 -8.261 1.00 0.00 C ATOM 423 CD PRO A 30 1.718 -6.940 -9.468 1.00 0.00 C ATOM 0 HA PRO A 30 0.388 -4.379 -7.896 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.733 -6.642 -6.340 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.595 -6.437 -7.465 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.783 -8.178 -7.702 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.268 -8.266 -8.576 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.760 -7.246 -9.561 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.218 -7.227 -10.393 1.00 0.00 H new ATOM 431 N MET A 31 3.462 -5.122 -7.331 1.00 0.00 N ATOM 432 CA MET A 31 4.634 -4.726 -6.570 1.00 0.00 C ATOM 433 C MET A 31 4.726 -3.203 -6.458 1.00 0.00 C ATOM 434 O MET A 31 4.996 -2.671 -5.382 1.00 0.00 O ATOM 435 CB MET A 31 5.893 -5.265 -7.253 1.00 0.00 C ATOM 436 CG MET A 31 5.700 -6.719 -7.688 1.00 0.00 C ATOM 437 SD MET A 31 7.280 -7.546 -7.771 1.00 0.00 S ATOM 438 CE MET A 31 7.124 -8.652 -6.379 1.00 0.00 C ATOM 0 H MET A 31 3.653 -5.747 -8.114 1.00 0.00 H new ATOM 0 HA MET A 31 4.549 -5.141 -5.566 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.132 -4.650 -8.121 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.740 -5.195 -6.570 1.00 0.00 H new ATOM 0 HG2 MET A 31 5.047 -7.234 -6.984 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.210 -6.754 -8.661 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.008 -8.568 -5.746 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.238 -8.388 -5.802 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.031 -9.677 -6.737 1.00 0.00 H new ATOM 448 N VAL A 32 4.497 -2.544 -7.585 1.00 0.00 N ATOM 449 CA VAL A 32 4.551 -1.093 -7.627 1.00 0.00 C ATOM 450 C VAL A 32 3.724 -0.522 -6.473 1.00 0.00 C ATOM 451 O VAL A 32 4.212 0.303 -5.703 1.00 0.00 O ATOM 452 CB VAL A 32 4.090 -0.592 -8.998 1.00 0.00 C ATOM 453 CG1 VAL A 32 3.816 0.913 -8.968 1.00 0.00 C ATOM 454 CG2 VAL A 32 5.113 -0.941 -10.081 1.00 0.00 C ATOM 0 H VAL A 32 4.274 -2.989 -8.475 1.00 0.00 H new ATOM 0 HA VAL A 32 5.576 -0.745 -7.496 1.00 0.00 H new ATOM 0 HB VAL A 32 3.156 -1.098 -9.243 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.490 1.243 -9.954 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.035 1.126 -8.238 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.727 1.443 -8.691 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.762 -0.574 -11.045 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.069 -0.475 -9.842 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.238 -2.023 -10.128 1.00 0.00 H new ATOM 464 N PHE A 33 2.485 -0.984 -6.391 1.00 0.00 N ATOM 465 CA PHE A 33 1.585 -0.530 -5.344 1.00 0.00 C ATOM 466 C PHE A 33 2.208 -0.728 -3.961 1.00 0.00 C ATOM 467 O PHE A 33 1.918 0.023 -3.032 1.00 0.00 O ATOM 468 CB PHE A 33 0.316 -1.380 -5.445 1.00 0.00 C ATOM 469 CG PHE A 33 -0.778 -0.984 -4.451 1.00 0.00 C ATOM 470 CD1 PHE A 33 -1.372 0.236 -4.544 1.00 0.00 C ATOM 471 CD2 PHE A 33 -1.157 -1.853 -3.476 1.00 0.00 C ATOM 472 CE1 PHE A 33 -2.388 0.603 -3.622 1.00 0.00 C ATOM 473 CE2 PHE A 33 -2.172 -1.486 -2.554 1.00 0.00 C ATOM 474 CZ PHE A 33 -2.766 -0.266 -2.646 1.00 0.00 C ATOM 0 H PHE A 33 2.083 -1.668 -7.032 1.00 0.00 H new ATOM 0 HA PHE A 33 1.375 0.532 -5.469 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.081 -1.303 -6.457 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.578 -2.426 -5.284 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.071 0.926 -5.319 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.686 -2.822 -3.403 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.860 1.571 -3.696 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.473 -2.176 -1.779 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.538 0.013 -1.944 1.00 0.00 H new ATOM 484 N LYS A 34 3.054 -1.744 -3.868 1.00 0.00 N ATOM 485 CA LYS A 34 3.721 -2.051 -2.614 1.00 0.00 C ATOM 486 C LYS A 34 4.909 -1.105 -2.430 1.00 0.00 C ATOM 487 O LYS A 34 5.249 -0.741 -1.305 1.00 0.00 O ATOM 488 CB LYS A 34 4.099 -3.532 -2.557 1.00 0.00 C ATOM 489 CG LYS A 34 2.981 -4.406 -3.129 1.00 0.00 C ATOM 490 CD LYS A 34 1.606 -3.873 -2.722 1.00 0.00 C ATOM 491 CE LYS A 34 0.565 -4.995 -2.707 1.00 0.00 C ATOM 492 NZ LYS A 34 1.097 -6.186 -2.008 1.00 0.00 N ATOM 0 H LYS A 34 3.293 -2.365 -4.641 1.00 0.00 H new ATOM 0 HA LYS A 34 3.048 -1.886 -1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.018 -3.698 -3.118 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.299 -3.820 -1.525 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.057 -4.434 -4.216 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.098 -5.430 -2.774 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.667 -3.416 -1.735 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.295 -3.092 -3.416 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.343 -4.650 -2.211 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.290 -5.258 -3.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.308 -6.750 -1.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.648 -6.763 -2.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.710 -5.884 -1.224 1.00 0.00 H new ATOM 506 N ALA A 35 5.510 -0.734 -3.551 1.00 0.00 N ATOM 507 CA ALA A 35 6.653 0.162 -3.527 1.00 0.00 C ATOM 508 C ALA A 35 6.201 1.545 -3.055 1.00 0.00 C ATOM 509 O ALA A 35 6.977 2.281 -2.446 1.00 0.00 O ATOM 510 CB ALA A 35 7.301 0.201 -4.912 1.00 0.00 C ATOM 0 H ALA A 35 5.226 -1.038 -4.482 1.00 0.00 H new ATOM 0 HA ALA A 35 7.407 -0.196 -2.825 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.159 0.873 -4.894 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.631 -0.801 -5.188 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.576 0.558 -5.643 1.00 0.00 H new ATOM 516 N GLN A 36 4.949 1.857 -3.353 1.00 0.00 N ATOM 517 CA GLN A 36 4.385 3.139 -2.966 1.00 0.00 C ATOM 518 C GLN A 36 4.034 3.138 -1.477 1.00 0.00 C ATOM 519 O GLN A 36 4.382 4.069 -0.753 1.00 0.00 O ATOM 520 CB GLN A 36 3.159 3.478 -3.818 1.00 0.00 C ATOM 521 CG GLN A 36 2.478 4.752 -3.315 1.00 0.00 C ATOM 522 CD GLN A 36 1.002 4.781 -3.719 1.00 0.00 C ATOM 523 OE1 GLN A 36 0.518 5.718 -4.332 1.00 0.00 O ATOM 524 NE2 GLN A 36 0.317 3.705 -3.343 1.00 0.00 N ATOM 0 H GLN A 36 4.309 1.244 -3.858 1.00 0.00 H new ATOM 0 HA GLN A 36 5.134 3.911 -3.142 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.459 3.608 -4.858 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.452 2.649 -3.791 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.563 4.810 -2.230 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.987 5.626 -3.722 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.784 2.956 -2.832 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.675 3.629 -3.566 1.00 0.00 H new ATOM 533 N LEU A 37 3.350 2.081 -1.064 1.00 0.00 N ATOM 534 CA LEU A 37 2.948 1.946 0.326 1.00 0.00 C ATOM 535 C LEU A 37 4.171 2.135 1.226 1.00 0.00 C ATOM 536 O LEU A 37 4.047 2.601 2.358 1.00 0.00 O ATOM 537 CB LEU A 37 2.222 0.618 0.547 1.00 0.00 C ATOM 538 CG LEU A 37 0.841 0.493 -0.100 1.00 0.00 C ATOM 539 CD1 LEU A 37 -0.061 -0.442 0.709 1.00 0.00 C ATOM 540 CD2 LEU A 37 0.204 1.869 -0.303 1.00 0.00 C ATOM 0 H LEU A 37 3.064 1.310 -1.668 1.00 0.00 H new ATOM 0 HA LEU A 37 2.231 2.723 0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.853 -0.186 0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.114 0.460 1.620 1.00 0.00 H new ATOM 0 HG LEU A 37 0.965 0.047 -1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.036 -0.513 0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.392 -1.432 0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.182 -0.048 1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.777 1.752 -0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.094 2.365 0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.840 2.472 -0.951 1.00 0.00 H new ATOM 552 N PHE A 38 5.324 1.764 0.690 1.00 0.00 N ATOM 553 CA PHE A 38 6.568 1.888 1.430 1.00 0.00 C ATOM 554 C PHE A 38 6.763 3.317 1.941 1.00 0.00 C ATOM 555 O PHE A 38 7.115 3.522 3.102 1.00 0.00 O ATOM 556 CB PHE A 38 7.701 1.546 0.461 1.00 0.00 C ATOM 557 CG PHE A 38 8.934 0.939 1.134 1.00 0.00 C ATOM 558 CD1 PHE A 38 9.294 1.339 2.383 1.00 0.00 C ATOM 559 CD2 PHE A 38 9.669 -0.002 0.483 1.00 0.00 C ATOM 560 CE1 PHE A 38 10.437 0.775 3.008 1.00 0.00 C ATOM 561 CE2 PHE A 38 10.813 -0.566 1.108 1.00 0.00 C ATOM 562 CZ PHE A 38 11.173 -0.165 2.357 1.00 0.00 C ATOM 0 H PHE A 38 5.423 1.377 -0.249 1.00 0.00 H new ATOM 0 HA PHE A 38 6.555 1.222 2.292 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.327 0.847 -0.287 1.00 0.00 H new ATOM 0 HB3 PHE A 38 7.998 2.451 -0.069 1.00 0.00 H new ATOM 0 HD1 PHE A 38 8.710 2.086 2.900 1.00 0.00 H new ATOM 0 HD2 PHE A 38 9.383 -0.320 -0.509 1.00 0.00 H new ATOM 0 HE1 PHE A 38 10.722 1.092 4.000 1.00 0.00 H new ATOM 0 HE2 PHE A 38 11.397 -1.313 0.592 1.00 0.00 H new ATOM 0 HZ PHE A 38 12.043 -0.593 2.832 1.00 0.00 H new ATOM 572 N ALA A 39 6.525 4.267 1.049 1.00 0.00 N ATOM 573 CA ALA A 39 6.670 5.671 1.395 1.00 0.00 C ATOM 574 C ALA A 39 5.448 6.123 2.197 1.00 0.00 C ATOM 575 O ALA A 39 5.452 7.203 2.785 1.00 0.00 O ATOM 576 CB ALA A 39 6.867 6.494 0.120 1.00 0.00 C ATOM 0 H ALA A 39 6.233 4.092 0.087 1.00 0.00 H new ATOM 0 HA ALA A 39 7.550 5.823 2.020 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.976 7.547 0.380 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.764 6.154 -0.398 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.002 6.368 -0.531 1.00 0.00 H new ATOM 582 N LEU A 40 4.431 5.273 2.195 1.00 0.00 N ATOM 583 CA LEU A 40 3.205 5.572 2.915 1.00 0.00 C ATOM 584 C LEU A 40 3.385 5.211 4.391 1.00 0.00 C ATOM 585 O LEU A 40 3.062 6.007 5.272 1.00 0.00 O ATOM 586 CB LEU A 40 2.013 4.878 2.254 1.00 0.00 C ATOM 587 CG LEU A 40 1.643 5.369 0.853 1.00 0.00 C ATOM 588 CD1 LEU A 40 0.156 5.149 0.569 1.00 0.00 C ATOM 589 CD2 LEU A 40 2.054 6.830 0.658 1.00 0.00 C ATOM 0 H LEU A 40 4.431 4.378 1.706 1.00 0.00 H new ATOM 0 HA LEU A 40 2.988 6.639 2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.224 3.810 2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.144 4.998 2.901 1.00 0.00 H new ATOM 0 HG LEU A 40 2.200 4.778 0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.080 5.507 -0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.074 4.086 0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.439 5.697 1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.780 7.154 -0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.543 7.453 1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.132 6.925 0.788 1.00 0.00 H new ATOM 601 N THR A 41 3.900 4.012 4.616 1.00 0.00 N ATOM 602 CA THR A 41 4.127 3.536 5.970 1.00 0.00 C ATOM 603 C THR A 41 5.626 3.395 6.242 1.00 0.00 C ATOM 604 O THR A 41 6.168 4.068 7.117 1.00 0.00 O ATOM 605 CB THR A 41 3.351 2.230 6.149 1.00 0.00 C ATOM 606 OG1 THR A 41 4.064 1.291 5.349 1.00 0.00 O ATOM 607 CG2 THR A 41 1.961 2.283 5.512 1.00 0.00 C ATOM 0 H THR A 41 4.167 3.355 3.883 1.00 0.00 H new ATOM 0 HA THR A 41 3.761 4.251 6.707 1.00 0.00 H new ATOM 0 HB THR A 41 3.255 2.007 7.212 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.882 1.464 4.402 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.453 1.331 5.668 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.381 3.084 5.971 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.058 2.472 4.443 1.00 0.00 H new ATOM 615 N GLY A 42 6.253 2.515 5.475 1.00 0.00 N ATOM 616 CA GLY A 42 7.679 2.276 5.622 1.00 0.00 C ATOM 617 C GLY A 42 8.003 0.787 5.485 1.00 0.00 C ATOM 618 O GLY A 42 9.167 0.410 5.361 1.00 0.00 O ATOM 0 H GLY A 42 5.800 1.959 4.750 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.226 2.842 4.867 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.013 2.636 6.595 1.00 0.00 H new ATOM 622 N VAL A 43 6.952 -0.019 5.512 1.00 0.00 N ATOM 623 CA VAL A 43 7.109 -1.458 5.392 1.00 0.00 C ATOM 624 C VAL A 43 7.461 -1.810 3.945 1.00 0.00 C ATOM 625 O VAL A 43 6.857 -1.285 3.011 1.00 0.00 O ATOM 626 CB VAL A 43 5.848 -2.166 5.890 1.00 0.00 C ATOM 627 CG1 VAL A 43 6.007 -3.686 5.818 1.00 0.00 C ATOM 628 CG2 VAL A 43 5.491 -1.719 7.309 1.00 0.00 C ATOM 0 H VAL A 43 5.988 0.298 5.615 1.00 0.00 H new ATOM 0 HA VAL A 43 7.929 -1.806 6.020 1.00 0.00 H new ATOM 0 HB VAL A 43 5.025 -1.884 5.233 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.096 -4.165 6.178 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.190 -3.984 4.786 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.848 -3.994 6.439 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.591 -2.238 7.638 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.314 -1.957 7.983 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.314 -0.644 7.318 1.00 0.00 H new ATOM 638 N GLN A 44 8.435 -2.697 3.805 1.00 0.00 N ATOM 639 CA GLN A 44 8.874 -3.125 2.488 1.00 0.00 C ATOM 640 C GLN A 44 7.683 -3.629 1.670 1.00 0.00 C ATOM 641 O GLN A 44 6.645 -3.980 2.229 1.00 0.00 O ATOM 642 CB GLN A 44 9.960 -4.198 2.594 1.00 0.00 C ATOM 643 CG GLN A 44 11.334 -3.566 2.825 1.00 0.00 C ATOM 644 CD GLN A 44 11.365 -2.788 4.142 1.00 0.00 C ATOM 645 OE1 GLN A 44 10.735 -1.755 4.298 1.00 0.00 O ATOM 646 NE2 GLN A 44 12.131 -3.341 5.079 1.00 0.00 N ATOM 0 H GLN A 44 8.933 -3.131 4.582 1.00 0.00 H new ATOM 0 HA GLN A 44 9.306 -2.267 1.973 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.726 -4.878 3.413 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.978 -4.793 1.681 1.00 0.00 H new ATOM 0 HG2 GLN A 44 12.098 -4.343 2.840 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.575 -2.898 1.998 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.632 -4.208 4.882 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.217 -2.898 5.994 1.00 0.00 H new ATOM 655 N PRO A 45 7.878 -3.649 0.324 1.00 0.00 N ATOM 656 CA PRO A 45 6.833 -4.104 -0.577 1.00 0.00 C ATOM 657 C PRO A 45 6.701 -5.627 -0.539 1.00 0.00 C ATOM 658 O PRO A 45 5.841 -6.197 -1.209 1.00 0.00 O ATOM 659 CB PRO A 45 7.235 -3.576 -1.945 1.00 0.00 C ATOM 660 CG PRO A 45 8.716 -3.247 -1.845 1.00 0.00 C ATOM 661 CD PRO A 45 9.094 -3.240 -0.373 1.00 0.00 C ATOM 0 HA PRO A 45 5.846 -3.735 -0.297 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.051 -4.320 -2.720 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.655 -2.691 -2.208 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.308 -3.984 -2.388 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.923 -2.277 -2.297 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.916 -3.927 -0.172 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.420 -2.251 -0.053 1.00 0.00 H new ATOM 669 N ALA A 46 7.566 -6.245 0.252 1.00 0.00 N ATOM 670 CA ALA A 46 7.557 -7.691 0.387 1.00 0.00 C ATOM 671 C ALA A 46 6.975 -8.069 1.750 1.00 0.00 C ATOM 672 O ALA A 46 6.357 -9.123 1.895 1.00 0.00 O ATOM 673 CB ALA A 46 8.974 -8.232 0.188 1.00 0.00 C ATOM 0 H ALA A 46 8.278 -5.770 0.806 1.00 0.00 H new ATOM 0 HA ALA A 46 6.925 -8.143 -0.378 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.967 -9.317 0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.330 -7.963 -0.806 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.637 -7.802 0.939 1.00 0.00 H new ATOM 679 N ARG A 47 7.192 -7.188 2.715 1.00 0.00 N ATOM 680 CA ARG A 47 6.697 -7.416 4.062 1.00 0.00 C ATOM 681 C ARG A 47 5.447 -6.571 4.318 1.00 0.00 C ATOM 682 O ARG A 47 5.088 -6.320 5.467 1.00 0.00 O ATOM 683 CB ARG A 47 7.760 -7.070 5.106 1.00 0.00 C ATOM 684 CG ARG A 47 9.148 -7.517 4.644 1.00 0.00 C ATOM 685 CD ARG A 47 9.951 -8.105 5.806 1.00 0.00 C ATOM 686 NE ARG A 47 11.139 -8.820 5.290 1.00 0.00 N ATOM 687 CZ ARG A 47 11.762 -9.811 5.944 1.00 0.00 C ATOM 688 NH1 ARG A 47 11.313 -10.209 7.142 1.00 0.00 N ATOM 689 NH2 ARG A 47 12.834 -10.402 5.399 1.00 0.00 N ATOM 0 H ARG A 47 7.704 -6.315 2.591 1.00 0.00 H new ATOM 0 HA ARG A 47 6.449 -8.474 4.149 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.762 -5.995 5.286 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.515 -7.552 6.053 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.050 -8.260 3.853 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.684 -6.668 4.219 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.261 -7.310 6.484 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.326 -8.788 6.381 1.00 0.00 H new ATOM 0 HE ARG A 47 11.507 -8.542 4.380 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.497 -9.758 7.556 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.787 -10.963 7.640 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.176 -10.098 4.487 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.308 -11.156 5.896 1.00 0.00 H new ATOM 703 N GLN A 48 4.819 -6.155 3.228 1.00 0.00 N ATOM 704 CA GLN A 48 3.617 -5.344 3.320 1.00 0.00 C ATOM 705 C GLN A 48 2.389 -6.168 2.928 1.00 0.00 C ATOM 706 O GLN A 48 2.114 -6.354 1.744 1.00 0.00 O ATOM 707 CB GLN A 48 3.735 -4.089 2.452 1.00 0.00 C ATOM 708 CG GLN A 48 4.244 -2.901 3.271 1.00 0.00 C ATOM 709 CD GLN A 48 4.256 -1.622 2.433 1.00 0.00 C ATOM 710 OE1 GLN A 48 3.603 -0.639 2.744 1.00 0.00 O ATOM 711 NE2 GLN A 48 5.032 -1.688 1.355 1.00 0.00 N ATOM 0 H GLN A 48 5.120 -6.365 2.276 1.00 0.00 H new ATOM 0 HA GLN A 48 3.498 -5.021 4.354 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.414 -4.280 1.621 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.763 -3.848 2.021 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.610 -2.760 4.147 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.250 -3.110 3.636 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.552 -2.542 1.153 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.107 -0.885 0.731 1.00 0.00 H new ATOM 720 N LYS A 49 1.684 -6.640 3.945 1.00 0.00 N ATOM 721 CA LYS A 49 0.491 -7.440 3.722 1.00 0.00 C ATOM 722 C LYS A 49 -0.607 -6.555 3.128 1.00 0.00 C ATOM 723 O LYS A 49 -0.895 -5.481 3.653 1.00 0.00 O ATOM 724 CB LYS A 49 0.076 -8.154 5.010 1.00 0.00 C ATOM 725 CG LYS A 49 -1.446 -8.270 5.107 1.00 0.00 C ATOM 726 CD LYS A 49 -2.009 -9.083 3.939 1.00 0.00 C ATOM 727 CE LYS A 49 -2.329 -10.515 4.372 1.00 0.00 C ATOM 728 NZ LYS A 49 -1.084 -11.299 4.533 1.00 0.00 N ATOM 0 H LYS A 49 1.916 -6.484 4.926 1.00 0.00 H new ATOM 0 HA LYS A 49 0.691 -8.230 2.998 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.523 -9.148 5.039 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.458 -7.608 5.872 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.719 -8.744 6.050 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.891 -7.275 5.110 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.911 -8.604 3.559 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.288 -9.099 3.121 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.882 -10.502 5.311 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.972 -10.990 3.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.319 -12.308 4.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.476 -11.160 3.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.581 -10.981 5.386 1.00 0.00 H new ATOM 742 N VAL A 50 -1.189 -7.040 2.041 1.00 0.00 N ATOM 743 CA VAL A 50 -2.250 -6.307 1.370 1.00 0.00 C ATOM 744 C VAL A 50 -3.453 -7.231 1.168 1.00 0.00 C ATOM 745 O VAL A 50 -3.397 -8.162 0.367 1.00 0.00 O ATOM 746 CB VAL A 50 -1.727 -5.712 0.062 1.00 0.00 C ATOM 747 CG1 VAL A 50 -2.806 -4.876 -0.630 1.00 0.00 C ATOM 748 CG2 VAL A 50 -0.463 -4.883 0.303 1.00 0.00 C ATOM 0 H VAL A 50 -0.946 -7.931 1.608 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.583 -5.469 1.983 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.466 -6.537 -0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.408 -4.464 -1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.667 -5.506 -0.852 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.112 -4.062 0.027 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.112 -4.471 -0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.688 -4.069 0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.312 -5.518 0.732 1.00 0.00 H new ATOM 758 N MET A 51 -4.512 -6.940 1.909 1.00 0.00 N ATOM 759 CA MET A 51 -5.727 -7.732 1.821 1.00 0.00 C ATOM 760 C MET A 51 -6.595 -7.277 0.646 1.00 0.00 C ATOM 761 O MET A 51 -6.316 -6.254 0.023 1.00 0.00 O ATOM 762 CB MET A 51 -6.519 -7.599 3.123 1.00 0.00 C ATOM 763 CG MET A 51 -6.127 -8.692 4.118 1.00 0.00 C ATOM 764 SD MET A 51 -7.489 -9.822 4.352 1.00 0.00 S ATOM 765 CE MET A 51 -7.560 -10.562 2.729 1.00 0.00 C ATOM 0 H MET A 51 -4.554 -6.167 2.573 1.00 0.00 H new ATOM 0 HA MET A 51 -5.448 -8.773 1.660 1.00 0.00 H new ATOM 0 HB2 MET A 51 -6.338 -6.619 3.564 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.586 -7.661 2.911 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.254 -9.233 3.752 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.848 -8.244 5.072 1.00 0.00 H new ATOM 0 HE1 MET A 51 -7.650 -11.644 2.826 1.00 0.00 H new ATOM 0 HE2 MET A 51 -8.424 -10.173 2.189 1.00 0.00 H new ATOM 0 HE3 MET A 51 -6.650 -10.321 2.179 1.00 0.00 H new ATOM 775 N VAL A 52 -7.630 -8.059 0.378 1.00 0.00 N ATOM 776 CA VAL A 52 -8.540 -7.750 -0.711 1.00 0.00 C ATOM 777 C VAL A 52 -9.971 -8.088 -0.287 1.00 0.00 C ATOM 778 O VAL A 52 -10.179 -8.908 0.606 1.00 0.00 O ATOM 779 CB VAL A 52 -8.105 -8.482 -1.982 1.00 0.00 C ATOM 780 CG1 VAL A 52 -8.914 -8.011 -3.192 1.00 0.00 C ATOM 781 CG2 VAL A 52 -6.604 -8.312 -2.226 1.00 0.00 C ATOM 0 H VAL A 52 -7.859 -8.907 0.897 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.512 -6.685 -0.940 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.304 -9.544 -1.840 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.584 -8.548 -4.082 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.972 -8.208 -3.021 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.763 -6.941 -3.337 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.321 -8.842 -3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.371 -7.253 -2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.050 -8.720 -1.381 1.00 0.00 H new ATOM 791 N LYS A 53 -10.919 -7.439 -0.947 1.00 0.00 N ATOM 792 CA LYS A 53 -12.323 -7.661 -0.649 1.00 0.00 C ATOM 793 C LYS A 53 -12.521 -9.106 -0.188 1.00 0.00 C ATOM 794 O LYS A 53 -13.240 -9.361 0.777 1.00 0.00 O ATOM 795 CB LYS A 53 -13.193 -7.274 -1.847 1.00 0.00 C ATOM 796 CG LYS A 53 -13.149 -5.764 -2.091 1.00 0.00 C ATOM 797 CD LYS A 53 -14.552 -5.207 -2.339 1.00 0.00 C ATOM 798 CE LYS A 53 -14.756 -3.884 -1.600 1.00 0.00 C ATOM 799 NZ LYS A 53 -15.469 -4.108 -0.322 1.00 0.00 N ATOM 0 H LYS A 53 -10.742 -6.760 -1.687 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.644 -7.018 0.170 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.848 -7.800 -2.737 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -14.222 -7.588 -1.670 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.703 -5.266 -1.230 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.512 -5.549 -2.949 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.704 -5.057 -3.408 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -15.298 -5.930 -2.009 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.791 -3.416 -1.407 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -15.325 -3.196 -2.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.599 -3.199 0.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -16.398 -4.535 -0.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.911 -4.748 0.279 1.00 0.00 H new ATOM 813 N GLY A 54 -11.869 -10.015 -0.899 1.00 0.00 N ATOM 814 CA GLY A 54 -11.963 -11.428 -0.574 1.00 0.00 C ATOM 815 C GLY A 54 -10.748 -12.194 -1.101 1.00 0.00 C ATOM 816 O GLY A 54 -10.893 -13.258 -1.700 1.00 0.00 O ATOM 0 H GLY A 54 -11.274 -9.800 -1.699 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -12.035 -11.552 0.507 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.874 -11.844 -1.004 1.00 0.00 H new ATOM 820 N GLY A 55 -9.578 -11.622 -0.858 1.00 0.00 N ATOM 821 CA GLY A 55 -8.338 -12.238 -1.300 1.00 0.00 C ATOM 822 C GLY A 55 -7.130 -11.389 -0.899 1.00 0.00 C ATOM 823 O GLY A 55 -7.256 -10.465 -0.096 1.00 0.00 O ATOM 0 H GLY A 55 -9.462 -10.739 -0.361 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.247 -13.234 -0.866 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.356 -12.363 -2.383 1.00 0.00 H new ATOM 827 N THR A 56 -5.988 -11.731 -1.476 1.00 0.00 N ATOM 828 CA THR A 56 -4.759 -11.012 -1.188 1.00 0.00 C ATOM 829 C THR A 56 -4.088 -10.563 -2.488 1.00 0.00 C ATOM 830 O THR A 56 -4.077 -11.300 -3.473 1.00 0.00 O ATOM 831 CB THR A 56 -3.873 -11.914 -0.327 1.00 0.00 C ATOM 832 OG1 THR A 56 -4.696 -12.248 0.787 1.00 0.00 O ATOM 833 CG2 THR A 56 -2.695 -11.160 0.292 1.00 0.00 C ATOM 0 H THR A 56 -5.888 -12.497 -2.142 1.00 0.00 H new ATOM 0 HA THR A 56 -4.957 -10.098 -0.628 1.00 0.00 H new ATOM 0 HB THR A 56 -3.497 -12.738 -0.933 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.200 -12.833 1.397 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.099 -11.847 0.893 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.076 -10.739 -0.500 1.00 0.00 H new ATOM 0 HG23 THR A 56 -3.070 -10.356 0.925 1.00 0.00 H new ATOM 841 N LEU A 57 -3.543 -9.355 -2.448 1.00 0.00 N ATOM 842 CA LEU A 57 -2.872 -8.799 -3.611 1.00 0.00 C ATOM 843 C LEU A 57 -1.669 -9.674 -3.967 1.00 0.00 C ATOM 844 O LEU A 57 -0.878 -10.033 -3.096 1.00 0.00 O ATOM 845 CB LEU A 57 -2.514 -7.331 -3.371 1.00 0.00 C ATOM 846 CG LEU A 57 -2.881 -6.359 -4.495 1.00 0.00 C ATOM 847 CD1 LEU A 57 -2.283 -4.974 -4.239 1.00 0.00 C ATOM 848 CD2 LEU A 57 -2.469 -6.918 -5.858 1.00 0.00 C ATOM 0 H LEU A 57 -3.553 -8.747 -1.629 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.538 -8.805 -4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.008 -7.002 -2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.440 -7.263 -3.195 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.965 -6.244 -4.508 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.559 -4.303 -5.052 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.667 -4.580 -3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.197 -5.051 -4.184 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.741 -6.208 -6.640 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.391 -7.080 -5.874 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.981 -7.864 -6.033 1.00 0.00 H new ATOM 860 N LYS A 58 -1.569 -9.994 -5.249 1.00 0.00 N ATOM 861 CA LYS A 58 -0.475 -10.821 -5.731 1.00 0.00 C ATOM 862 C LYS A 58 0.821 -10.009 -5.706 1.00 0.00 C ATOM 863 O LYS A 58 0.855 -8.902 -5.173 1.00 0.00 O ATOM 864 CB LYS A 58 -0.810 -11.404 -7.105 1.00 0.00 C ATOM 865 CG LYS A 58 -1.845 -12.525 -6.987 1.00 0.00 C ATOM 866 CD LYS A 58 -1.924 -13.336 -8.282 1.00 0.00 C ATOM 867 CE LYS A 58 -2.430 -14.754 -8.011 1.00 0.00 C ATOM 868 NZ LYS A 58 -1.868 -15.703 -8.999 1.00 0.00 N ATOM 0 H LYS A 58 -2.227 -9.696 -5.969 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.327 -11.678 -5.074 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.193 -10.617 -7.754 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.097 -11.789 -7.572 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.582 -13.182 -6.158 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.823 -12.100 -6.760 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.589 -12.837 -8.987 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.940 -13.380 -8.748 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.149 -15.060 -7.003 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.519 -14.773 -8.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.222 -16.661 -8.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.157 -15.419 -9.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.830 -15.697 -8.935 1.00 0.00 H new ATOM 882 N ASP A 59 1.858 -10.592 -6.291 1.00 0.00 N ATOM 883 CA ASP A 59 3.153 -9.937 -6.343 1.00 0.00 C ATOM 884 C ASP A 59 3.668 -9.948 -7.784 1.00 0.00 C ATOM 885 O ASP A 59 4.145 -8.931 -8.285 1.00 0.00 O ATOM 886 CB ASP A 59 4.176 -10.667 -5.470 1.00 0.00 C ATOM 887 CG ASP A 59 4.141 -10.296 -3.986 1.00 0.00 C ATOM 888 OD1 ASP A 59 3.110 -9.726 -3.567 1.00 0.00 O ATOM 889 OD2 ASP A 59 5.147 -10.589 -3.304 1.00 0.00 O ATOM 0 H ASP A 59 1.827 -11.511 -6.733 1.00 0.00 H new ATOM 0 HA ASP A 59 3.030 -8.918 -5.978 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.012 -11.740 -5.565 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.174 -10.462 -5.857 1.00 0.00 H new ATOM 894 N ASP A 60 3.555 -11.111 -8.410 1.00 0.00 N ATOM 895 CA ASP A 60 4.003 -11.268 -9.783 1.00 0.00 C ATOM 896 C ASP A 60 3.136 -10.404 -10.700 1.00 0.00 C ATOM 897 O ASP A 60 3.651 -9.562 -11.434 1.00 0.00 O ATOM 898 CB ASP A 60 3.873 -12.722 -10.241 1.00 0.00 C ATOM 899 CG ASP A 60 3.873 -12.924 -11.758 1.00 0.00 C ATOM 900 OD1 ASP A 60 4.654 -12.212 -12.425 1.00 0.00 O ATOM 901 OD2 ASP A 60 3.092 -13.786 -12.215 1.00 0.00 O ATOM 0 H ASP A 60 3.160 -11.953 -7.991 1.00 0.00 H new ATOM 0 HA ASP A 60 5.049 -10.966 -9.833 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.694 -13.297 -9.813 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.949 -13.134 -9.835 1.00 0.00 H new ATOM 906 N ASP A 61 1.835 -10.641 -10.628 1.00 0.00 N ATOM 907 CA ASP A 61 0.892 -9.895 -11.442 1.00 0.00 C ATOM 908 C ASP A 61 -0.488 -9.934 -10.783 1.00 0.00 C ATOM 909 O ASP A 61 -0.792 -10.853 -10.024 1.00 0.00 O ATOM 910 CB ASP A 61 0.765 -10.506 -12.839 1.00 0.00 C ATOM 911 CG ASP A 61 2.053 -10.505 -13.665 1.00 0.00 C ATOM 912 OD1 ASP A 61 2.522 -9.391 -13.983 1.00 0.00 O ATOM 913 OD2 ASP A 61 2.540 -11.618 -13.959 1.00 0.00 O ATOM 0 H ASP A 61 1.412 -11.340 -10.018 1.00 0.00 H new ATOM 0 HA ASP A 61 1.258 -8.872 -11.527 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.416 -11.534 -12.739 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.002 -9.961 -13.389 1.00 0.00 H new ATOM 918 N TRP A 62 -1.287 -8.924 -11.095 1.00 0.00 N ATOM 919 CA TRP A 62 -2.627 -8.831 -10.542 1.00 0.00 C ATOM 920 C TRP A 62 -3.415 -10.060 -11.002 1.00 0.00 C ATOM 921 O TRP A 62 -3.919 -10.822 -10.179 1.00 0.00 O ATOM 922 CB TRP A 62 -3.294 -7.512 -10.937 1.00 0.00 C ATOM 923 CG TRP A 62 -2.601 -6.271 -10.371 1.00 0.00 C ATOM 924 CD1 TRP A 62 -1.494 -5.666 -10.822 1.00 0.00 C ATOM 925 CD2 TRP A 62 -3.018 -5.502 -9.223 1.00 0.00 C ATOM 926 NE1 TRP A 62 -1.167 -4.569 -10.052 1.00 0.00 N ATOM 927 CE2 TRP A 62 -2.124 -4.466 -9.049 1.00 0.00 C ATOM 928 CE3 TRP A 62 -4.114 -5.677 -8.360 1.00 0.00 C ATOM 929 CZ2 TRP A 62 -2.234 -3.523 -8.019 1.00 0.00 C ATOM 930 CZ3 TRP A 62 -4.210 -4.726 -7.337 1.00 0.00 C ATOM 931 CH2 TRP A 62 -3.318 -3.677 -7.148 1.00 0.00 C ATOM 0 H TRP A 62 -1.032 -8.163 -11.724 1.00 0.00 H new ATOM 0 HA TRP A 62 -2.594 -8.825 -9.453 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -3.316 -7.439 -12.024 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -4.330 -7.524 -10.597 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.928 -5.996 -11.681 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -0.370 -3.948 -10.193 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -4.825 -6.481 -8.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.521 -2.720 -7.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -5.035 -4.814 -6.646 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.461 -2.984 -6.332 1.00 0.00 H new ATOM 942 N GLY A 63 -3.495 -10.214 -12.315 1.00 0.00 N ATOM 943 CA GLY A 63 -4.212 -11.337 -12.894 1.00 0.00 C ATOM 944 C GLY A 63 -5.595 -10.908 -13.389 1.00 0.00 C ATOM 945 O GLY A 63 -5.725 -10.359 -14.482 1.00 0.00 O ATOM 0 H GLY A 63 -3.075 -9.580 -12.995 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.638 -11.752 -13.723 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.317 -12.128 -12.151 1.00 0.00 H new ATOM 949 N ASN A 64 -6.594 -11.175 -12.560 1.00 0.00 N ATOM 950 CA ASN A 64 -7.962 -10.824 -12.900 1.00 0.00 C ATOM 951 C ASN A 64 -8.669 -10.283 -11.655 1.00 0.00 C ATOM 952 O ASN A 64 -9.751 -10.748 -11.299 1.00 0.00 O ATOM 953 CB ASN A 64 -8.740 -12.047 -13.390 1.00 0.00 C ATOM 954 CG ASN A 64 -8.572 -12.235 -14.899 1.00 0.00 C ATOM 955 OD1 ASN A 64 -7.859 -11.503 -15.566 1.00 0.00 O ATOM 956 ND2 ASN A 64 -9.267 -13.253 -15.398 1.00 0.00 N ATOM 0 H ASN A 64 -6.483 -11.630 -11.654 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.931 -10.076 -13.692 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.391 -12.938 -12.868 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.797 -11.930 -13.150 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.222 -13.461 -16.396 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.845 -13.826 -14.783 1.00 0.00 H new ATOM 963 N ILE A 65 -8.029 -9.307 -11.028 1.00 0.00 N ATOM 964 CA ILE A 65 -8.582 -8.698 -9.830 1.00 0.00 C ATOM 965 C ILE A 65 -9.626 -7.653 -10.231 1.00 0.00 C ATOM 966 O ILE A 65 -9.443 -6.932 -11.211 1.00 0.00 O ATOM 967 CB ILE A 65 -7.464 -8.142 -8.946 1.00 0.00 C ATOM 968 CG1 ILE A 65 -6.564 -9.267 -8.429 1.00 0.00 C ATOM 969 CG2 ILE A 65 -8.036 -7.296 -7.806 1.00 0.00 C ATOM 970 CD1 ILE A 65 -5.343 -8.701 -7.702 1.00 0.00 C ATOM 0 H ILE A 65 -7.133 -8.923 -11.327 1.00 0.00 H new ATOM 0 HA ILE A 65 -9.094 -9.446 -9.224 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.842 -7.485 -9.554 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.129 -9.908 -7.753 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.239 -9.890 -9.262 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.220 -6.913 -7.193 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.601 -6.461 -8.221 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.694 -7.910 -7.192 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.720 -9.521 -7.345 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.767 -8.080 -8.388 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.671 -8.099 -6.855 1.00 0.00 H new ATOM 982 N LYS A 66 -10.697 -7.604 -9.453 1.00 0.00 N ATOM 983 CA LYS A 66 -11.770 -6.659 -9.715 1.00 0.00 C ATOM 984 C LYS A 66 -11.514 -5.373 -8.927 1.00 0.00 C ATOM 985 O LYS A 66 -12.154 -5.129 -7.905 1.00 0.00 O ATOM 986 CB LYS A 66 -13.129 -7.299 -9.424 1.00 0.00 C ATOM 987 CG LYS A 66 -13.722 -7.924 -10.688 1.00 0.00 C ATOM 988 CD LYS A 66 -14.779 -7.009 -11.309 1.00 0.00 C ATOM 989 CE LYS A 66 -15.367 -7.631 -12.577 1.00 0.00 C ATOM 990 NZ LYS A 66 -15.934 -6.582 -13.454 1.00 0.00 N ATOM 0 H LYS A 66 -10.845 -8.203 -8.641 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.791 -6.388 -10.770 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.018 -8.062 -8.654 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -13.813 -6.547 -9.031 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.929 -8.112 -11.411 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.168 -8.889 -10.446 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.575 -6.825 -10.587 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -14.334 -6.043 -11.546 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -14.593 -8.181 -13.112 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -16.143 -8.349 -12.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -16.329 -7.021 -14.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -16.687 -6.075 -12.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -15.185 -5.912 -13.723 1.00 0.00 H new ATOM 1004 N MET A 67 -10.577 -4.584 -9.432 1.00 0.00 N ATOM 1005 CA MET A 67 -10.229 -3.329 -8.788 1.00 0.00 C ATOM 1006 C MET A 67 -11.299 -2.265 -9.046 1.00 0.00 C ATOM 1007 O MET A 67 -11.950 -2.275 -10.089 1.00 0.00 O ATOM 1008 CB MET A 67 -8.882 -2.838 -9.321 1.00 0.00 C ATOM 1009 CG MET A 67 -7.748 -3.768 -8.885 1.00 0.00 C ATOM 1010 SD MET A 67 -6.423 -2.816 -8.159 1.00 0.00 S ATOM 1011 CE MET A 67 -6.740 -3.112 -6.428 1.00 0.00 C ATOM 0 H MET A 67 -10.048 -4.790 -10.280 1.00 0.00 H new ATOM 0 HA MET A 67 -10.164 -3.499 -7.713 1.00 0.00 H new ATOM 0 HB2 MET A 67 -8.915 -2.784 -10.409 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.689 -1.829 -8.958 1.00 0.00 H new ATOM 0 HG2 MET A 67 -8.121 -4.496 -8.165 1.00 0.00 H new ATOM 0 HG3 MET A 67 -7.376 -4.329 -9.743 1.00 0.00 H new ATOM 0 HE1 MET A 67 -5.861 -2.836 -5.845 1.00 0.00 H new ATOM 0 HE2 MET A 67 -7.592 -2.512 -6.106 1.00 0.00 H new ATOM 0 HE3 MET A 67 -6.961 -4.168 -6.274 1.00 0.00 H new ATOM 1021 N LYS A 68 -11.446 -1.373 -8.077 1.00 0.00 N ATOM 1022 CA LYS A 68 -12.425 -0.305 -8.186 1.00 0.00 C ATOM 1023 C LYS A 68 -11.939 0.910 -7.394 1.00 0.00 C ATOM 1024 O LYS A 68 -11.212 0.764 -6.412 1.00 0.00 O ATOM 1025 CB LYS A 68 -13.809 -0.802 -7.763 1.00 0.00 C ATOM 1026 CG LYS A 68 -13.780 -1.359 -6.339 1.00 0.00 C ATOM 1027 CD LYS A 68 -14.745 -2.537 -6.191 1.00 0.00 C ATOM 1028 CE LYS A 68 -15.769 -2.272 -5.086 1.00 0.00 C ATOM 1029 NZ LYS A 68 -17.145 -2.368 -5.620 1.00 0.00 N ATOM 0 H LYS A 68 -10.904 -1.368 -7.213 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.529 0.012 -9.224 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.527 0.016 -7.823 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.148 -1.575 -8.453 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.768 -1.680 -6.091 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.048 -0.574 -5.632 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.261 -2.710 -7.136 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.185 -3.444 -5.963 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.635 -2.991 -4.278 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.606 -1.282 -4.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.827 -2.185 -4.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -17.274 -1.665 -6.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.303 -3.322 -6.004 1.00 0.00 H new ATOM 1043 N ASN A 69 -12.359 2.081 -7.850 1.00 0.00 N ATOM 1044 CA ASN A 69 -11.975 3.320 -7.195 1.00 0.00 C ATOM 1045 C ASN A 69 -12.973 3.633 -6.079 1.00 0.00 C ATOM 1046 O ASN A 69 -14.143 3.905 -6.345 1.00 0.00 O ATOM 1047 CB ASN A 69 -11.987 4.490 -8.181 1.00 0.00 C ATOM 1048 CG ASN A 69 -11.364 4.086 -9.519 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -10.400 3.341 -9.585 1.00 0.00 O ATOM 1050 ND2 ASN A 69 -11.967 4.617 -10.579 1.00 0.00 N ATOM 0 H ASN A 69 -12.961 2.198 -8.665 1.00 0.00 H new ATOM 0 HA ASN A 69 -10.968 3.193 -6.797 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -13.012 4.826 -8.340 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -11.437 5.331 -7.759 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.626 4.408 -11.517 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -12.770 5.233 -10.453 1.00 0.00 H new ATOM 1057 N GLY A 70 -12.475 3.583 -4.852 1.00 0.00 N ATOM 1058 CA GLY A 70 -13.309 3.857 -3.694 1.00 0.00 C ATOM 1059 C GLY A 70 -13.100 2.802 -2.606 1.00 0.00 C ATOM 1060 O GLY A 70 -13.198 3.103 -1.418 1.00 0.00 O ATOM 0 H GLY A 70 -11.504 3.357 -4.635 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.074 4.845 -3.298 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.357 3.874 -3.992 1.00 0.00 H new ATOM 1064 N MET A 71 -12.817 1.587 -3.052 1.00 0.00 N ATOM 1065 CA MET A 71 -12.594 0.485 -2.131 1.00 0.00 C ATOM 1066 C MET A 71 -11.563 0.862 -1.065 1.00 0.00 C ATOM 1067 O MET A 71 -11.044 1.977 -1.064 1.00 0.00 O ATOM 1068 CB MET A 71 -12.102 -0.738 -2.907 1.00 0.00 C ATOM 1069 CG MET A 71 -10.645 -0.562 -3.341 1.00 0.00 C ATOM 1070 SD MET A 71 -9.645 -1.878 -2.666 1.00 0.00 S ATOM 1071 CE MET A 71 -10.418 -3.286 -3.445 1.00 0.00 C ATOM 0 H MET A 71 -12.737 1.341 -4.039 1.00 0.00 H new ATOM 0 HA MET A 71 -13.536 0.255 -1.634 1.00 0.00 H new ATOM 0 HB2 MET A 71 -12.195 -1.629 -2.286 1.00 0.00 H new ATOM 0 HB3 MET A 71 -12.730 -0.894 -3.784 1.00 0.00 H new ATOM 0 HG2 MET A 71 -10.578 -0.564 -4.429 1.00 0.00 H new ATOM 0 HG3 MET A 71 -10.269 0.403 -3.001 1.00 0.00 H new ATOM 0 HE1 MET A 71 -9.687 -4.086 -3.558 1.00 0.00 H new ATOM 0 HE2 MET A 71 -11.245 -3.635 -2.827 1.00 0.00 H new ATOM 0 HE3 MET A 71 -10.795 -2.997 -4.426 1.00 0.00 H new ATOM 1081 N THR A 72 -11.297 -0.090 -0.182 1.00 0.00 N ATOM 1082 CA THR A 72 -10.338 0.128 0.887 1.00 0.00 C ATOM 1083 C THR A 72 -9.254 -0.952 0.860 1.00 0.00 C ATOM 1084 O THR A 72 -9.526 -2.100 0.514 1.00 0.00 O ATOM 1085 CB THR A 72 -11.107 0.183 2.208 1.00 0.00 C ATOM 1086 OG1 THR A 72 -11.433 1.562 2.363 1.00 0.00 O ATOM 1087 CG2 THR A 72 -10.220 -0.127 3.416 1.00 0.00 C ATOM 0 H THR A 72 -11.729 -1.014 -0.185 1.00 0.00 H new ATOM 0 HA THR A 72 -9.813 1.075 0.760 1.00 0.00 H new ATOM 0 HB THR A 72 -11.936 -0.524 2.175 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.935 1.688 3.195 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.815 -0.074 4.328 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.802 -1.128 3.313 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.410 0.601 3.469 1.00 0.00 H new ATOM 1095 N VAL A 73 -8.048 -0.544 1.228 1.00 0.00 N ATOM 1096 CA VAL A 73 -6.922 -1.462 1.250 1.00 0.00 C ATOM 1097 C VAL A 73 -6.331 -1.505 2.660 1.00 0.00 C ATOM 1098 O VAL A 73 -5.926 -0.475 3.199 1.00 0.00 O ATOM 1099 CB VAL A 73 -5.899 -1.061 0.185 1.00 0.00 C ATOM 1100 CG1 VAL A 73 -4.589 -1.831 0.366 1.00 0.00 C ATOM 1101 CG2 VAL A 73 -6.464 -1.265 -1.222 1.00 0.00 C ATOM 0 H VAL A 73 -7.826 0.410 1.513 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.249 -2.472 1.004 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.684 0.000 0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.879 -1.527 -0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.173 -1.614 1.350 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.781 -2.901 0.281 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.717 -0.973 -1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.721 -2.315 -1.362 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.357 -0.653 -1.348 1.00 0.00 H new ATOM 1111 N LEU A 74 -6.301 -2.706 3.219 1.00 0.00 N ATOM 1112 CA LEU A 74 -5.767 -2.895 4.557 1.00 0.00 C ATOM 1113 C LEU A 74 -4.308 -3.348 4.459 1.00 0.00 C ATOM 1114 O LEU A 74 -3.977 -4.215 3.652 1.00 0.00 O ATOM 1115 CB LEU A 74 -6.654 -3.850 5.358 1.00 0.00 C ATOM 1116 CG LEU A 74 -6.366 -3.934 6.858 1.00 0.00 C ATOM 1117 CD1 LEU A 74 -5.010 -4.592 7.120 1.00 0.00 C ATOM 1118 CD2 LEU A 74 -6.470 -2.556 7.515 1.00 0.00 C ATOM 0 H LEU A 74 -6.638 -3.558 2.770 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.774 -1.954 5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.693 -3.548 5.224 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.555 -4.849 4.933 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.126 -4.567 7.316 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.830 -4.639 8.194 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.009 -5.601 6.707 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.223 -4.005 6.646 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.261 -2.644 8.581 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.747 -1.880 7.058 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -7.476 -2.161 7.374 1.00 0.00 H new ATOM 1130 N MET A 75 -3.477 -2.741 5.293 1.00 0.00 N ATOM 1131 CA MET A 75 -2.062 -3.071 5.311 1.00 0.00 C ATOM 1132 C MET A 75 -1.627 -3.547 6.698 1.00 0.00 C ATOM 1133 O MET A 75 -1.870 -2.869 7.695 1.00 0.00 O ATOM 1134 CB MET A 75 -1.245 -1.840 4.914 1.00 0.00 C ATOM 1135 CG MET A 75 -0.085 -2.224 3.993 1.00 0.00 C ATOM 1136 SD MET A 75 1.025 -0.840 3.799 1.00 0.00 S ATOM 1137 CE MET A 75 2.141 -1.144 5.159 1.00 0.00 C ATOM 0 H MET A 75 -3.756 -2.023 5.961 1.00 0.00 H new ATOM 0 HA MET A 75 -1.888 -3.878 4.600 1.00 0.00 H new ATOM 0 HB2 MET A 75 -1.889 -1.118 4.412 1.00 0.00 H new ATOM 0 HB3 MET A 75 -0.857 -1.353 5.809 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.453 -3.076 4.408 1.00 0.00 H new ATOM 0 HG3 MET A 75 -0.469 -2.532 3.020 1.00 0.00 H new ATOM 0 HE1 MET A 75 3.146 -0.826 4.883 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.810 -0.584 6.033 1.00 0.00 H new ATOM 0 HE3 MET A 75 2.149 -2.209 5.392 1.00 0.00 H new ATOM 1147 N MET A 76 -0.991 -4.710 6.718 1.00 0.00 N ATOM 1148 CA MET A 76 -0.521 -5.284 7.967 1.00 0.00 C ATOM 1149 C MET A 76 1.008 -5.315 8.014 1.00 0.00 C ATOM 1150 O MET A 76 1.644 -6.000 7.214 1.00 0.00 O ATOM 1151 CB MET A 76 -1.065 -6.707 8.112 1.00 0.00 C ATOM 1152 CG MET A 76 -2.539 -6.690 8.520 1.00 0.00 C ATOM 1153 SD MET A 76 -2.748 -7.518 10.087 1.00 0.00 S ATOM 1154 CE MET A 76 -2.523 -6.140 11.199 1.00 0.00 C ATOM 0 H MET A 76 -0.791 -5.270 5.889 1.00 0.00 H new ATOM 0 HA MET A 76 -0.879 -4.663 8.788 1.00 0.00 H new ATOM 0 HB2 MET A 76 -0.951 -7.242 7.169 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.483 -7.248 8.858 1.00 0.00 H new ATOM 0 HG2 MET A 76 -2.893 -5.662 8.593 1.00 0.00 H new ATOM 0 HG3 MET A 76 -3.142 -7.181 7.756 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.622 -6.483 12.229 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.531 -5.713 11.053 1.00 0.00 H new ATOM 0 HE3 MET A 76 -3.278 -5.381 10.995 1.00 0.00 H new ATOM 1164 N GLY A 77 1.555 -4.565 8.960 1.00 0.00 N ATOM 1165 CA GLY A 77 2.997 -4.498 9.122 1.00 0.00 C ATOM 1166 C GLY A 77 3.375 -3.588 10.293 1.00 0.00 C ATOM 1167 O GLY A 77 2.513 -3.174 11.065 1.00 0.00 O ATOM 0 H GLY A 77 1.025 -3.998 9.622 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.395 -5.499 9.291 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.453 -4.125 8.205 1.00 0.00 H new ATOM 1171 N SER A 78 4.666 -3.305 10.387 1.00 0.00 N ATOM 1172 CA SER A 78 5.169 -2.453 11.451 1.00 0.00 C ATOM 1173 C SER A 78 6.190 -1.461 10.888 1.00 0.00 C ATOM 1174 O SER A 78 6.099 -0.261 11.141 1.00 0.00 O ATOM 1175 CB SER A 78 5.799 -3.283 12.571 1.00 0.00 C ATOM 1176 OG SER A 78 5.662 -2.655 13.843 1.00 0.00 O ATOM 0 H SER A 78 5.378 -3.650 9.744 1.00 0.00 H new ATOM 0 HA SER A 78 4.329 -1.901 11.873 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.331 -4.267 12.600 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.856 -3.439 12.356 1.00 0.00 H new ATOM 0 HG SER A 78 6.075 -3.217 14.531 1.00 0.00 H new ATOM 1182 N ALA A 79 7.138 -1.999 10.135 1.00 0.00 N ATOM 1183 CA ALA A 79 8.174 -1.177 9.535 1.00 0.00 C ATOM 1184 C ALA A 79 9.111 -0.664 10.630 1.00 0.00 C ATOM 1185 O ALA A 79 9.008 0.486 11.053 1.00 0.00 O ATOM 1186 CB ALA A 79 7.527 -0.039 8.742 1.00 0.00 C ATOM 0 H ALA A 79 7.210 -2.995 9.927 1.00 0.00 H new ATOM 0 HA ALA A 79 8.772 -1.763 8.837 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.304 0.578 8.291 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.894 -0.456 7.958 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.921 0.572 9.411 1.00 0.00 H new