USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 415 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 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0636) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 69:sc= 1.18 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -138:sc= -0.0632 (180deg=-0.624) USER MOD Single : A 31 THR OG1 : rot 61:sc= 1.21 USER MOD Single : A 34 GLN : amide:sc= -0.0227 X(o=-0.023,f=-0.16) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0284 USER MOD Single : A 55 LYS NZ :NH3+ 166:sc= -0.0445 (180deg=-0.298) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 94:sc= 0.502 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.064 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot -153:sc= -1.09! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N LEU A 15 99.710 -3.596 -15.740 1.00 0.00 N ATOM 36 CA LEU A 15 100.333 -3.687 -14.422 1.00 0.00 C ATOM 37 C LEU A 15 99.406 -3.155 -13.333 1.00 0.00 C ATOM 38 O LEU A 15 99.096 -3.856 -12.369 1.00 0.00 O ATOM 39 CB LEU A 15 101.650 -2.909 -14.408 1.00 0.00 C ATOM 40 CG LEU A 15 102.583 -3.200 -15.587 1.00 0.00 C ATOM 41 CD1 LEU A 15 103.089 -1.904 -16.203 1.00 0.00 C ATOM 42 CD2 LEU A 15 103.750 -4.070 -15.143 1.00 0.00 C ATOM 0 HA LEU A 15 100.531 -4.739 -14.217 1.00 0.00 H new ATOM 0 HB2 LEU A 15 101.425 -1.843 -14.396 1.00 0.00 H new ATOM 0 HB3 LEU A 15 102.178 -3.134 -13.481 1.00 0.00 H new ATOM 0 HG LEU A 15 102.018 -3.742 -16.345 1.00 0.00 H new ATOM 0 HD11 LEU A 15 103.750 -2.132 -17.039 1.00 0.00 H new ATOM 0 HD12 LEU A 15 102.243 -1.316 -16.559 1.00 0.00 H new ATOM 0 HD13 LEU A 15 103.637 -1.334 -15.452 1.00 0.00 H new ATOM 0 HD21 LEU A 15 104.402 -4.266 -15.994 1.00 0.00 H new ATOM 0 HD22 LEU A 15 104.313 -3.554 -14.366 1.00 0.00 H new ATOM 0 HD23 LEU A 15 103.372 -5.014 -14.751 1.00 0.00 H new ATOM 54 N THR A 16 98.973 -1.908 -13.487 1.00 0.00 N ATOM 55 CA THR A 16 98.090 -1.273 -12.513 1.00 0.00 C ATOM 56 C THR A 16 96.846 -2.119 -12.250 1.00 0.00 C ATOM 57 O THR A 16 96.249 -2.037 -11.177 1.00 0.00 O ATOM 58 CB THR A 16 97.680 0.118 -12.999 1.00 0.00 C ATOM 59 OG1 THR A 16 96.846 0.756 -12.048 1.00 0.00 O ATOM 60 CG2 THR A 16 96.940 0.097 -14.318 1.00 0.00 C ATOM 0 H THR A 16 99.220 -1.315 -14.279 1.00 0.00 H new ATOM 0 HA THR A 16 98.641 -1.182 -11.577 1.00 0.00 H new ATOM 0 HB THR A 16 98.614 0.664 -13.134 1.00 0.00 H new ATOM 0 HG1 THR A 16 96.596 1.645 -12.376 1.00 0.00 H new ATOM 0 HG21 THR A 16 96.679 1.116 -14.605 1.00 0.00 H new ATOM 0 HG22 THR A 16 97.576 -0.344 -15.085 1.00 0.00 H new ATOM 0 HG23 THR A 16 96.031 -0.496 -14.216 1.00 0.00 H new ATOM 68 N GLN A 17 96.457 -2.927 -13.231 1.00 0.00 N ATOM 69 CA GLN A 17 95.283 -3.779 -13.091 1.00 0.00 C ATOM 70 C GLN A 17 95.530 -4.900 -12.086 1.00 0.00 C ATOM 71 O GLN A 17 94.587 -5.480 -11.552 1.00 0.00 O ATOM 72 CB GLN A 17 94.880 -4.368 -14.444 1.00 0.00 C ATOM 73 CG GLN A 17 93.378 -4.528 -14.613 1.00 0.00 C ATOM 74 CD GLN A 17 92.909 -4.196 -16.015 1.00 0.00 C ATOM 75 OE1 GLN A 17 93.237 -4.895 -16.973 1.00 0.00 O ATOM 76 NE2 GLN A 17 92.135 -3.124 -16.142 1.00 0.00 N ATOM 0 H GLN A 17 96.936 -3.009 -14.128 1.00 0.00 H new ATOM 0 HA GLN A 17 94.468 -3.159 -12.718 1.00 0.00 H new ATOM 0 HB2 GLN A 17 95.261 -3.726 -15.239 1.00 0.00 H new ATOM 0 HB3 GLN A 17 95.357 -5.341 -14.564 1.00 0.00 H new ATOM 0 HG2 GLN A 17 93.097 -5.553 -14.373 1.00 0.00 H new ATOM 0 HG3 GLN A 17 92.865 -3.882 -13.900 1.00 0.00 H new ATOM 0 HE21 GLN A 17 91.888 -2.573 -15.320 1.00 0.00 H new ATOM 0 HE22 GLN A 17 91.788 -2.852 -17.062 1.00 0.00 H new ATOM 85 N VAL A 18 96.802 -5.197 -11.831 1.00 0.00 N ATOM 86 CA VAL A 18 97.173 -6.248 -10.884 1.00 0.00 C ATOM 87 C VAL A 18 97.710 -5.648 -9.591 1.00 0.00 C ATOM 88 O VAL A 18 97.486 -6.184 -8.505 1.00 0.00 O ATOM 89 CB VAL A 18 98.243 -7.181 -11.478 1.00 0.00 C ATOM 90 CG1 VAL A 18 98.509 -8.353 -10.544 1.00 0.00 C ATOM 91 CG2 VAL A 18 97.820 -7.673 -12.853 1.00 0.00 C ATOM 0 H VAL A 18 97.594 -4.725 -12.267 1.00 0.00 H new ATOM 0 HA VAL A 18 96.271 -6.823 -10.674 1.00 0.00 H new ATOM 0 HB VAL A 18 99.169 -6.616 -11.588 1.00 0.00 H new ATOM 0 HG11 VAL A 18 99.268 -9.002 -10.981 1.00 0.00 H new ATOM 0 HG12 VAL A 18 98.861 -7.979 -9.582 1.00 0.00 H new ATOM 0 HG13 VAL A 18 97.589 -8.919 -10.399 1.00 0.00 H new ATOM 0 HG21 VAL A 18 98.589 -8.331 -13.256 1.00 0.00 H new ATOM 0 HG22 VAL A 18 96.881 -8.220 -12.771 1.00 0.00 H new ATOM 0 HG23 VAL A 18 97.686 -6.821 -13.519 1.00 0.00 H new ATOM 101 N LYS A 19 98.414 -4.529 -9.716 1.00 0.00 N ATOM 102 CA LYS A 19 98.983 -3.847 -8.561 1.00 0.00 C ATOM 103 C LYS A 19 97.879 -3.291 -7.679 1.00 0.00 C ATOM 104 O LYS A 19 97.716 -3.700 -6.530 1.00 0.00 O ATOM 105 CB LYS A 19 99.892 -2.709 -9.018 1.00 0.00 C ATOM 106 CG LYS A 19 101.375 -3.045 -8.958 1.00 0.00 C ATOM 107 CD LYS A 19 101.844 -3.265 -7.528 1.00 0.00 C ATOM 108 CE LYS A 19 101.865 -1.966 -6.736 1.00 0.00 C ATOM 109 NZ LYS A 19 102.971 -1.066 -7.167 1.00 0.00 N ATOM 0 H LYS A 19 98.605 -4.074 -10.609 1.00 0.00 H new ATOM 0 HA LYS A 19 99.567 -4.567 -7.989 1.00 0.00 H new ATOM 0 HB2 LYS A 19 99.632 -2.437 -10.041 1.00 0.00 H new ATOM 0 HB3 LYS A 19 99.702 -1.833 -8.397 1.00 0.00 H new ATOM 0 HG2 LYS A 19 101.569 -3.942 -9.547 1.00 0.00 H new ATOM 0 HG3 LYS A 19 101.950 -2.236 -9.409 1.00 0.00 H new ATOM 0 HD2 LYS A 19 101.186 -3.981 -7.035 1.00 0.00 H new ATOM 0 HD3 LYS A 19 102.842 -3.703 -7.536 1.00 0.00 H new ATOM 0 HE2 LYS A 19 100.911 -1.452 -6.858 1.00 0.00 H new ATOM 0 HE3 LYS A 19 101.973 -2.190 -5.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 103.056 -0.275 -6.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 103.864 -1.599 -7.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 102.766 -0.695 -8.117 1.00 0.00 H new ATOM 123 N GLU A 20 97.111 -2.364 -8.238 1.00 0.00 N ATOM 124 CA GLU A 20 96.005 -1.755 -7.515 1.00 0.00 C ATOM 125 C GLU A 20 95.014 -2.823 -7.067 1.00 0.00 C ATOM 126 O GLU A 20 94.223 -2.610 -6.148 1.00 0.00 O ATOM 127 CB GLU A 20 95.299 -0.718 -8.392 1.00 0.00 C ATOM 128 CG GLU A 20 96.141 0.516 -8.673 1.00 0.00 C ATOM 129 CD GLU A 20 96.174 1.480 -7.502 1.00 0.00 C ATOM 130 OE1 GLU A 20 96.671 1.089 -6.426 1.00 0.00 O ATOM 131 OE2 GLU A 20 95.703 2.626 -7.663 1.00 0.00 O ATOM 0 H GLU A 20 97.235 -2.018 -9.190 1.00 0.00 H new ATOM 0 HA GLU A 20 96.404 -1.253 -6.633 1.00 0.00 H new ATOM 0 HB2 GLU A 20 95.023 -1.183 -9.339 1.00 0.00 H new ATOM 0 HB3 GLU A 20 94.373 -0.413 -7.905 1.00 0.00 H new ATOM 0 HG2 GLU A 20 97.159 0.209 -8.915 1.00 0.00 H new ATOM 0 HG3 GLU A 20 95.746 1.029 -9.550 1.00 0.00 H new ATOM 138 N SER A 21 95.066 -3.979 -7.726 1.00 0.00 N ATOM 139 CA SER A 21 94.186 -5.087 -7.404 1.00 0.00 C ATOM 140 C SER A 21 94.653 -5.795 -6.138 1.00 0.00 C ATOM 141 O SER A 21 93.911 -5.893 -5.159 1.00 0.00 O ATOM 142 CB SER A 21 94.165 -6.061 -8.574 1.00 0.00 C ATOM 143 OG SER A 21 92.837 -6.355 -8.974 1.00 0.00 O ATOM 0 H SER A 21 95.715 -4.168 -8.490 1.00 0.00 H new ATOM 0 HA SER A 21 93.181 -4.706 -7.226 1.00 0.00 H new ATOM 0 HB2 SER A 21 94.715 -5.636 -9.414 1.00 0.00 H new ATOM 0 HB3 SER A 21 94.675 -6.982 -8.293 1.00 0.00 H new ATOM 0 HG SER A 21 92.853 -6.981 -9.728 1.00 0.00 H new ATOM 149 N LEU A 22 95.889 -6.286 -6.162 1.00 0.00 N ATOM 150 CA LEU A 22 96.453 -6.979 -5.013 1.00 0.00 C ATOM 151 C LEU A 22 96.559 -6.029 -3.828 1.00 0.00 C ATOM 152 O LEU A 22 96.375 -6.429 -2.678 1.00 0.00 O ATOM 153 CB LEU A 22 97.829 -7.556 -5.358 1.00 0.00 C ATOM 154 CG LEU A 22 97.902 -9.085 -5.364 1.00 0.00 C ATOM 155 CD1 LEU A 22 98.748 -9.576 -6.530 1.00 0.00 C ATOM 156 CD2 LEU A 22 98.460 -9.596 -4.045 1.00 0.00 C ATOM 0 H LEU A 22 96.516 -6.216 -6.964 1.00 0.00 H new ATOM 0 HA LEU A 22 95.792 -7.803 -4.744 1.00 0.00 H new ATOM 0 HB2 LEU A 22 98.125 -7.188 -6.340 1.00 0.00 H new ATOM 0 HB3 LEU A 22 98.557 -7.175 -4.642 1.00 0.00 H new ATOM 0 HG LEU A 22 96.892 -9.477 -5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 22 98.788 -10.665 -6.517 1.00 0.00 H new ATOM 0 HD12 LEU A 22 98.305 -9.240 -7.468 1.00 0.00 H new ATOM 0 HD13 LEU A 22 99.758 -9.175 -6.441 1.00 0.00 H new ATOM 0 HD21 LEU A 22 98.505 -10.685 -4.066 1.00 0.00 H new ATOM 0 HD22 LEU A 22 99.462 -9.194 -3.894 1.00 0.00 H new ATOM 0 HD23 LEU A 22 97.814 -9.276 -3.228 1.00 0.00 H new ATOM 168 N SER A 23 96.842 -4.765 -4.120 1.00 0.00 N ATOM 169 CA SER A 23 96.958 -3.752 -3.082 1.00 0.00 C ATOM 170 C SER A 23 95.590 -3.455 -2.487 1.00 0.00 C ATOM 171 O SER A 23 95.450 -3.277 -1.279 1.00 0.00 O ATOM 172 CB SER A 23 97.572 -2.470 -3.647 1.00 0.00 C ATOM 173 OG SER A 23 97.872 -1.548 -2.614 1.00 0.00 O ATOM 0 H SER A 23 96.995 -4.419 -5.067 1.00 0.00 H new ATOM 0 HA SER A 23 97.612 -4.134 -2.298 1.00 0.00 H new ATOM 0 HB2 SER A 23 98.481 -2.711 -4.198 1.00 0.00 H new ATOM 0 HB3 SER A 23 96.881 -2.014 -4.356 1.00 0.00 H new ATOM 0 HG SER A 23 98.264 -0.738 -3.002 1.00 0.00 H new ATOM 178 N SER A 24 94.584 -3.416 -3.350 1.00 0.00 N ATOM 179 CA SER A 24 93.216 -3.153 -2.925 1.00 0.00 C ATOM 180 C SER A 24 92.743 -4.215 -1.944 1.00 0.00 C ATOM 181 O SER A 24 91.998 -3.925 -1.007 1.00 0.00 O ATOM 182 CB SER A 24 92.282 -3.121 -4.128 1.00 0.00 C ATOM 183 OG SER A 24 92.298 -1.851 -4.756 1.00 0.00 O ATOM 0 H SER A 24 94.691 -3.564 -4.354 1.00 0.00 H new ATOM 0 HA SER A 24 93.199 -2.182 -2.431 1.00 0.00 H new ATOM 0 HB2 SER A 24 92.580 -3.887 -4.844 1.00 0.00 H new ATOM 0 HB3 SER A 24 91.267 -3.360 -3.810 1.00 0.00 H new ATOM 0 HG SER A 24 93.168 -1.709 -5.184 1.00 0.00 H new ATOM 189 N TYR A 25 93.185 -5.451 -2.161 1.00 0.00 N ATOM 190 CA TYR A 25 92.820 -6.559 -1.302 1.00 0.00 C ATOM 191 C TYR A 25 93.141 -6.228 0.149 1.00 0.00 C ATOM 192 O TYR A 25 92.412 -6.603 1.066 1.00 0.00 O ATOM 193 CB TYR A 25 93.585 -7.795 -1.749 1.00 0.00 C ATOM 194 CG TYR A 25 92.738 -9.044 -1.833 1.00 0.00 C ATOM 195 CD1 TYR A 25 91.836 -9.225 -2.874 1.00 0.00 C ATOM 196 CD2 TYR A 25 92.837 -10.041 -0.871 1.00 0.00 C ATOM 197 CE1 TYR A 25 91.057 -10.364 -2.953 1.00 0.00 C ATOM 198 CE2 TYR A 25 92.061 -11.183 -0.944 1.00 0.00 C ATOM 199 CZ TYR A 25 91.173 -11.339 -1.986 1.00 0.00 C ATOM 200 OH TYR A 25 90.400 -12.474 -2.062 1.00 0.00 O ATOM 0 H TYR A 25 93.801 -5.705 -2.933 1.00 0.00 H new ATOM 0 HA TYR A 25 91.749 -6.747 -1.375 1.00 0.00 H new ATOM 0 HB2 TYR A 25 94.028 -7.602 -2.726 1.00 0.00 H new ATOM 0 HB3 TYR A 25 94.407 -7.972 -1.056 1.00 0.00 H new ATOM 0 HD1 TYR A 25 91.742 -8.463 -3.634 1.00 0.00 H new ATOM 0 HD2 TYR A 25 93.532 -9.922 -0.053 1.00 0.00 H new ATOM 0 HE1 TYR A 25 90.361 -10.489 -3.769 1.00 0.00 H new ATOM 0 HE2 TYR A 25 92.150 -11.949 -0.188 1.00 0.00 H new ATOM 0 HH TYR A 25 90.605 -13.061 -1.304 1.00 0.00 H new ATOM 210 N TRP A 26 94.241 -5.510 0.334 1.00 0.00 N ATOM 211 CA TRP A 26 94.682 -5.104 1.661 1.00 0.00 C ATOM 212 C TRP A 26 94.378 -3.629 1.909 1.00 0.00 C ATOM 213 O TRP A 26 94.386 -3.171 3.052 1.00 0.00 O ATOM 214 CB TRP A 26 96.182 -5.359 1.814 1.00 0.00 C ATOM 215 CG TRP A 26 96.493 -6.489 2.747 1.00 0.00 C ATOM 216 CD1 TRP A 26 96.787 -6.396 4.077 1.00 0.00 C ATOM 217 CD2 TRP A 26 96.532 -7.882 2.423 1.00 0.00 C ATOM 218 NE1 TRP A 26 97.005 -7.647 4.601 1.00 0.00 N ATOM 219 CE2 TRP A 26 96.856 -8.576 3.605 1.00 0.00 C ATOM 220 CE3 TRP A 26 96.322 -8.613 1.250 1.00 0.00 C ATOM 221 CZ2 TRP A 26 96.974 -9.962 3.646 1.00 0.00 C ATOM 222 CZ3 TRP A 26 96.442 -9.989 1.291 1.00 0.00 C ATOM 223 CH2 TRP A 26 96.763 -10.651 2.482 1.00 0.00 C ATOM 0 H TRP A 26 94.847 -5.195 -0.424 1.00 0.00 H new ATOM 0 HA TRP A 26 94.138 -5.695 2.398 1.00 0.00 H new ATOM 0 HB2 TRP A 26 96.610 -5.576 0.835 1.00 0.00 H new ATOM 0 HB3 TRP A 26 96.664 -4.452 2.178 1.00 0.00 H new ATOM 0 HD1 TRP A 26 96.840 -5.473 4.636 1.00 0.00 H new ATOM 0 HE1 TRP A 26 97.239 -7.851 5.573 1.00 0.00 H new ATOM 0 HE3 TRP A 26 96.070 -8.111 0.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 97.223 -10.475 4.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 96.286 -10.563 0.390 1.00 0.00 H new ATOM 0 HH2 TRP A 26 96.846 -11.728 2.483 1.00 0.00 H new ATOM 234 N GLU A 27 94.107 -2.886 0.838 1.00 0.00 N ATOM 235 CA GLU A 27 93.807 -1.463 0.958 1.00 0.00 C ATOM 236 C GLU A 27 92.511 -1.250 1.730 1.00 0.00 C ATOM 237 O GLU A 27 92.422 -0.359 2.576 1.00 0.00 O ATOM 238 CB GLU A 27 93.712 -0.819 -0.427 1.00 0.00 C ATOM 239 CG GLU A 27 94.435 0.514 -0.531 1.00 0.00 C ATOM 240 CD GLU A 27 94.660 0.940 -1.969 1.00 0.00 C ATOM 241 OE1 GLU A 27 94.969 0.066 -2.806 1.00 0.00 O ATOM 242 OE2 GLU A 27 94.526 2.148 -2.258 1.00 0.00 O ATOM 0 H GLU A 27 94.089 -3.244 -0.117 1.00 0.00 H new ATOM 0 HA GLU A 27 94.618 -0.987 1.509 1.00 0.00 H new ATOM 0 HB2 GLU A 27 94.125 -1.505 -1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 27 92.662 -0.673 -0.679 1.00 0.00 H new ATOM 0 HG2 GLU A 27 93.856 1.279 -0.015 1.00 0.00 H new ATOM 0 HG3 GLU A 27 95.396 0.444 -0.021 1.00 0.00 H new ATOM 249 N SER A 28 91.511 -2.077 1.443 1.00 0.00 N ATOM 250 CA SER A 28 90.229 -1.976 2.126 1.00 0.00 C ATOM 251 C SER A 28 90.402 -2.258 3.609 1.00 0.00 C ATOM 252 O SER A 28 89.759 -1.631 4.451 1.00 0.00 O ATOM 253 CB SER A 28 89.218 -2.944 1.516 1.00 0.00 C ATOM 254 OG SER A 28 88.085 -3.096 2.354 1.00 0.00 O ATOM 0 H SER A 28 91.564 -2.820 0.746 1.00 0.00 H new ATOM 0 HA SER A 28 89.850 -0.961 2.003 1.00 0.00 H new ATOM 0 HB2 SER A 28 88.904 -2.578 0.538 1.00 0.00 H new ATOM 0 HB3 SER A 28 89.689 -3.914 1.357 1.00 0.00 H new ATOM 0 HG SER A 28 87.453 -3.720 1.939 1.00 0.00 H new ATOM 260 N ALA A 29 91.296 -3.189 3.927 1.00 0.00 N ATOM 261 CA ALA A 29 91.574 -3.524 5.314 1.00 0.00 C ATOM 262 C ALA A 29 92.124 -2.297 6.020 1.00 0.00 C ATOM 263 O ALA A 29 91.828 -2.042 7.186 1.00 0.00 O ATOM 264 CB ALA A 29 92.557 -4.682 5.403 1.00 0.00 C ATOM 0 H ALA A 29 91.836 -3.721 3.245 1.00 0.00 H new ATOM 0 HA ALA A 29 90.651 -3.837 5.801 1.00 0.00 H new ATOM 0 HB1 ALA A 29 92.750 -4.915 6.450 1.00 0.00 H new ATOM 0 HB2 ALA A 29 92.135 -5.557 4.908 1.00 0.00 H new ATOM 0 HB3 ALA A 29 93.491 -4.405 4.915 1.00 0.00 H new ATOM 270 N LYS A 30 92.908 -1.522 5.277 1.00 0.00 N ATOM 271 CA LYS A 30 93.495 -0.294 5.795 1.00 0.00 C ATOM 272 C LYS A 30 92.475 0.837 5.736 1.00 0.00 C ATOM 273 O LYS A 30 92.509 1.763 6.546 1.00 0.00 O ATOM 274 CB LYS A 30 94.741 0.081 4.988 1.00 0.00 C ATOM 275 CG LYS A 30 96.036 -0.047 5.775 1.00 0.00 C ATOM 276 CD LYS A 30 96.728 -1.374 5.501 1.00 0.00 C ATOM 277 CE LYS A 30 96.625 -2.316 6.692 1.00 0.00 C ATOM 278 NZ LYS A 30 96.154 -3.671 6.293 1.00 0.00 N ATOM 0 H LYS A 30 93.152 -1.726 4.308 1.00 0.00 H new ATOM 0 HA LYS A 30 93.786 -0.456 6.833 1.00 0.00 H new ATOM 0 HB2 LYS A 30 94.797 -0.556 4.105 1.00 0.00 H new ATOM 0 HB3 LYS A 30 94.640 1.107 4.635 1.00 0.00 H new ATOM 0 HG2 LYS A 30 96.704 0.773 5.513 1.00 0.00 H new ATOM 0 HG3 LYS A 30 95.825 0.041 6.841 1.00 0.00 H new ATOM 0 HD2 LYS A 30 96.281 -1.844 4.625 1.00 0.00 H new ATOM 0 HD3 LYS A 30 97.778 -1.196 5.267 1.00 0.00 H new ATOM 0 HE2 LYS A 30 97.599 -2.398 7.174 1.00 0.00 H new ATOM 0 HE3 LYS A 30 95.939 -1.896 7.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 95.463 -4.017 6.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 95.706 -3.621 5.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 96.964 -4.323 6.255 1.00 0.00 H new ATOM 292 N THR A 31 91.559 0.746 4.773 1.00 0.00 N ATOM 293 CA THR A 31 90.524 1.753 4.604 1.00 0.00 C ATOM 294 C THR A 31 89.525 1.690 5.753 1.00 0.00 C ATOM 295 O THR A 31 89.182 2.711 6.349 1.00 0.00 O ATOM 296 CB THR A 31 89.806 1.540 3.274 1.00 0.00 C ATOM 297 OG1 THR A 31 90.697 1.720 2.187 1.00 0.00 O ATOM 298 CG2 THR A 31 88.639 2.475 3.071 1.00 0.00 C ATOM 0 H THR A 31 91.516 -0.018 4.099 1.00 0.00 H new ATOM 0 HA THR A 31 90.991 2.738 4.605 1.00 0.00 H new ATOM 0 HB THR A 31 89.430 0.518 3.309 1.00 0.00 H new ATOM 0 HG1 THR A 31 91.421 1.062 2.245 1.00 0.00 H new ATOM 0 HG21 THR A 31 88.173 2.271 2.107 1.00 0.00 H new ATOM 0 HG22 THR A 31 87.909 2.324 3.866 1.00 0.00 H new ATOM 0 HG23 THR A 31 88.991 3.506 3.093 1.00 0.00 H new ATOM 306 N ALA A 32 89.068 0.481 6.067 1.00 0.00 N ATOM 307 CA ALA A 32 88.119 0.285 7.154 1.00 0.00 C ATOM 308 C ALA A 32 88.682 0.842 8.454 1.00 0.00 C ATOM 309 O ALA A 32 87.940 1.180 9.374 1.00 0.00 O ATOM 310 CB ALA A 32 87.783 -1.191 7.305 1.00 0.00 C ATOM 0 H ALA A 32 89.340 -0.375 5.584 1.00 0.00 H new ATOM 0 HA ALA A 32 87.201 0.823 6.917 1.00 0.00 H new ATOM 0 HB1 ALA A 32 87.073 -1.321 8.121 1.00 0.00 H new ATOM 0 HB2 ALA A 32 87.343 -1.561 6.379 1.00 0.00 H new ATOM 0 HB3 ALA A 32 88.693 -1.751 7.523 1.00 0.00 H new ATOM 316 N ALA A 33 90.005 0.948 8.507 1.00 0.00 N ATOM 317 CA ALA A 33 90.686 1.478 9.680 1.00 0.00 C ATOM 318 C ALA A 33 90.689 3.001 9.652 1.00 0.00 C ATOM 319 O ALA A 33 90.716 3.653 10.696 1.00 0.00 O ATOM 320 CB ALA A 33 92.111 0.947 9.750 1.00 0.00 C ATOM 0 H ALA A 33 90.628 0.673 7.748 1.00 0.00 H new ATOM 0 HA ALA A 33 90.148 1.150 10.569 1.00 0.00 H new ATOM 0 HB1 ALA A 33 92.607 1.352 10.632 1.00 0.00 H new ATOM 0 HB2 ALA A 33 92.091 -0.141 9.812 1.00 0.00 H new ATOM 0 HB3 ALA A 33 92.656 1.249 8.856 1.00 0.00 H new ATOM 326 N GLN A 34 90.658 3.561 8.445 1.00 0.00 N ATOM 327 CA GLN A 34 90.657 5.008 8.272 1.00 0.00 C ATOM 328 C GLN A 34 89.346 5.609 8.761 1.00 0.00 C ATOM 329 O GLN A 34 89.296 6.756 9.206 1.00 0.00 O ATOM 330 CB GLN A 34 90.878 5.363 6.802 1.00 0.00 C ATOM 331 CG GLN A 34 91.735 6.601 6.595 1.00 0.00 C ATOM 332 CD GLN A 34 90.949 7.769 6.032 1.00 0.00 C ATOM 333 OE1 GLN A 34 90.193 7.618 5.072 1.00 0.00 O ATOM 334 NE2 GLN A 34 91.124 8.942 6.626 1.00 0.00 N ATOM 0 H GLN A 34 90.633 3.033 7.573 1.00 0.00 H new ATOM 0 HA GLN A 34 91.471 5.424 8.866 1.00 0.00 H new ATOM 0 HB2 GLN A 34 91.349 4.518 6.300 1.00 0.00 H new ATOM 0 HB3 GLN A 34 89.910 5.518 6.325 1.00 0.00 H new ATOM 0 HG2 GLN A 34 92.180 6.893 7.546 1.00 0.00 H new ATOM 0 HG3 GLN A 34 92.556 6.361 5.919 1.00 0.00 H new ATOM 0 HE21 GLN A 34 91.761 9.022 7.419 1.00 0.00 H new ATOM 0 HE22 GLN A 34 90.622 9.764 6.290 1.00 0.00 H new ATOM 528 N ASP A 46 104.200 4.519 12.865 1.00 0.00 N ATOM 529 CA ASP A 46 105.641 4.557 12.646 1.00 0.00 C ATOM 530 C ASP A 46 105.970 5.157 11.288 1.00 0.00 C ATOM 531 O ASP A 46 106.944 5.895 11.145 1.00 0.00 O ATOM 532 CB ASP A 46 106.229 3.148 12.749 1.00 0.00 C ATOM 533 CG ASP A 46 105.528 2.165 11.831 1.00 0.00 C ATOM 534 OD1 ASP A 46 104.318 1.928 12.028 1.00 0.00 O ATOM 535 OD2 ASP A 46 106.190 1.632 10.916 1.00 0.00 O ATOM 0 HA ASP A 46 106.084 5.187 13.417 1.00 0.00 H new ATOM 0 HB2 ASP A 46 107.290 3.180 12.501 1.00 0.00 H new ATOM 0 HB3 ASP A 46 106.152 2.799 13.779 1.00 0.00 H new ATOM 540 N GLU A 47 105.156 4.835 10.291 1.00 0.00 N ATOM 541 CA GLU A 47 105.372 5.351 8.949 1.00 0.00 C ATOM 542 C GLU A 47 104.924 6.800 8.849 1.00 0.00 C ATOM 543 O GLU A 47 105.653 7.652 8.339 1.00 0.00 O ATOM 544 CB GLU A 47 104.627 4.510 7.917 1.00 0.00 C ATOM 545 CG GLU A 47 104.923 3.022 8.007 1.00 0.00 C ATOM 546 CD GLU A 47 104.347 2.242 6.840 1.00 0.00 C ATOM 547 OE1 GLU A 47 104.787 2.476 5.694 1.00 0.00 O ATOM 548 OE2 GLU A 47 103.454 1.399 7.072 1.00 0.00 O ATOM 0 H GLU A 47 104.346 4.223 10.387 1.00 0.00 H new ATOM 0 HA GLU A 47 106.441 5.297 8.742 1.00 0.00 H new ATOM 0 HB2 GLU A 47 103.555 4.666 8.041 1.00 0.00 H new ATOM 0 HB3 GLU A 47 104.887 4.863 6.919 1.00 0.00 H new ATOM 0 HG2 GLU A 47 106.002 2.871 8.043 1.00 0.00 H new ATOM 0 HG3 GLU A 47 104.515 2.630 8.938 1.00 0.00 H new ATOM 555 N LYS A 48 103.722 7.079 9.340 1.00 0.00 N ATOM 556 CA LYS A 48 103.186 8.434 9.308 1.00 0.00 C ATOM 557 C LYS A 48 104.138 9.394 10.008 1.00 0.00 C ATOM 558 O LYS A 48 104.215 10.574 9.665 1.00 0.00 O ATOM 559 CB LYS A 48 101.808 8.485 9.971 1.00 0.00 C ATOM 560 CG LYS A 48 100.818 9.381 9.242 1.00 0.00 C ATOM 561 CD LYS A 48 100.120 10.336 10.197 1.00 0.00 C ATOM 562 CE LYS A 48 99.603 11.568 9.472 1.00 0.00 C ATOM 563 NZ LYS A 48 98.571 12.290 10.269 1.00 0.00 N ATOM 0 H LYS A 48 103.103 6.388 9.763 1.00 0.00 H new ATOM 0 HA LYS A 48 103.081 8.737 8.266 1.00 0.00 H new ATOM 0 HB2 LYS A 48 101.401 7.475 10.024 1.00 0.00 H new ATOM 0 HB3 LYS A 48 101.919 8.838 10.996 1.00 0.00 H new ATOM 0 HG2 LYS A 48 101.340 9.951 8.473 1.00 0.00 H new ATOM 0 HG3 LYS A 48 100.075 8.766 8.734 1.00 0.00 H new ATOM 0 HD2 LYS A 48 99.290 9.824 10.684 1.00 0.00 H new ATOM 0 HD3 LYS A 48 100.813 10.638 10.982 1.00 0.00 H new ATOM 0 HE2 LYS A 48 100.434 12.240 9.261 1.00 0.00 H new ATOM 0 HE3 LYS A 48 99.180 11.273 8.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 98.244 13.124 9.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 97.766 11.657 10.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 98.982 12.594 11.175 1.00 0.00 H new ATOM 577 N LEU A 49 104.867 8.876 10.991 1.00 0.00 N ATOM 578 CA LEU A 49 105.816 9.681 11.739 1.00 0.00 C ATOM 579 C LEU A 49 107.217 9.591 11.126 1.00 0.00 C ATOM 580 O LEU A 49 108.066 10.443 11.388 1.00 0.00 O ATOM 581 CB LEU A 49 105.823 9.252 13.214 1.00 0.00 C ATOM 582 CG LEU A 49 106.930 8.281 13.633 1.00 0.00 C ATOM 583 CD1 LEU A 49 108.245 9.021 13.827 1.00 0.00 C ATOM 584 CD2 LEU A 49 106.540 7.551 14.908 1.00 0.00 C ATOM 0 H LEU A 49 104.816 7.901 11.286 1.00 0.00 H new ATOM 0 HA LEU A 49 105.506 10.725 11.687 1.00 0.00 H new ATOM 0 HB2 LEU A 49 105.902 10.148 13.830 1.00 0.00 H new ATOM 0 HB3 LEU A 49 104.861 8.793 13.441 1.00 0.00 H new ATOM 0 HG LEU A 49 107.062 7.546 12.839 1.00 0.00 H new ATOM 0 HD11 LEU A 49 109.020 8.314 14.125 1.00 0.00 H new ATOM 0 HD12 LEU A 49 108.533 9.503 12.892 1.00 0.00 H new ATOM 0 HD13 LEU A 49 108.126 9.777 14.603 1.00 0.00 H new ATOM 0 HD21 LEU A 49 107.337 6.864 15.193 1.00 0.00 H new ATOM 0 HD22 LEU A 49 106.382 8.275 15.708 1.00 0.00 H new ATOM 0 HD23 LEU A 49 105.621 6.990 14.739 1.00 0.00 H new ATOM 596 N ARG A 50 107.457 8.567 10.299 1.00 0.00 N ATOM 597 CA ARG A 50 108.760 8.412 9.659 1.00 0.00 C ATOM 598 C ARG A 50 108.782 7.231 8.695 1.00 0.00 C ATOM 599 O ARG A 50 108.827 6.072 9.106 1.00 0.00 O ATOM 600 CB ARG A 50 109.871 8.257 10.704 1.00 0.00 C ATOM 601 CG ARG A 50 109.717 7.035 11.600 1.00 0.00 C ATOM 602 CD ARG A 50 110.771 7.013 12.696 1.00 0.00 C ATOM 603 NE ARG A 50 111.310 5.669 12.907 1.00 0.00 N ATOM 604 CZ ARG A 50 112.592 5.408 13.163 1.00 0.00 C ATOM 605 NH1 ARG A 50 113.477 6.394 13.261 1.00 0.00 N ATOM 606 NH2 ARG A 50 112.990 4.154 13.330 1.00 0.00 N ATOM 0 H ARG A 50 106.776 7.846 10.062 1.00 0.00 H new ATOM 0 HA ARG A 50 108.941 9.320 9.084 1.00 0.00 H new ATOM 0 HB2 ARG A 50 110.831 8.200 10.192 1.00 0.00 H new ATOM 0 HB3 ARG A 50 109.895 9.151 11.328 1.00 0.00 H new ATOM 0 HG2 ARG A 50 108.724 7.034 12.049 1.00 0.00 H new ATOM 0 HG3 ARG A 50 109.796 6.129 10.999 1.00 0.00 H new ATOM 0 HD2 ARG A 50 111.582 7.692 12.434 1.00 0.00 H new ATOM 0 HD3 ARG A 50 110.336 7.380 13.626 1.00 0.00 H new ATOM 0 HE ARG A 50 110.664 4.882 12.855 1.00 0.00 H new ATOM 0 HH11 ARG A 50 113.178 7.362 13.140 1.00 0.00 H new ATOM 0 HH12 ARG A 50 114.456 6.183 13.457 1.00 0.00 H new ATOM 0 HH21 ARG A 50 112.316 3.392 13.262 1.00 0.00 H new ATOM 0 HH22 ARG A 50 113.970 3.952 13.526 1.00 0.00 H new ATOM 620 N ASP A 51 108.767 7.547 7.407 1.00 0.00 N ATOM 621 CA ASP A 51 108.803 6.535 6.360 1.00 0.00 C ATOM 622 C ASP A 51 108.881 7.190 4.988 1.00 0.00 C ATOM 623 O ASP A 51 109.857 7.016 4.262 1.00 0.00 O ATOM 624 CB ASP A 51 107.577 5.626 6.433 1.00 0.00 C ATOM 625 CG ASP A 51 107.930 4.215 6.866 1.00 0.00 C ATOM 626 OD1 ASP A 51 107.998 3.966 8.088 1.00 0.00 O ATOM 627 OD2 ASP A 51 108.140 3.358 5.982 1.00 0.00 O ATOM 0 H ASP A 51 108.730 8.505 7.060 1.00 0.00 H new ATOM 0 HA ASP A 51 109.694 5.926 6.515 1.00 0.00 H new ATOM 0 HB2 ASP A 51 106.856 6.048 7.133 1.00 0.00 H new ATOM 0 HB3 ASP A 51 107.093 5.594 5.457 1.00 0.00 H new ATOM 632 N LEU A 52 107.849 7.956 4.643 1.00 0.00 N ATOM 633 CA LEU A 52 107.811 8.645 3.356 1.00 0.00 C ATOM 634 C LEU A 52 109.146 9.329 3.077 1.00 0.00 C ATOM 635 O LEU A 52 109.553 9.484 1.926 1.00 0.00 O ATOM 636 CB LEU A 52 106.672 9.670 3.327 1.00 0.00 C ATOM 637 CG LEU A 52 106.476 10.467 4.621 1.00 0.00 C ATOM 638 CD1 LEU A 52 106.877 11.920 4.420 1.00 0.00 C ATOM 639 CD2 LEU A 52 105.031 10.374 5.094 1.00 0.00 C ATOM 0 H LEU A 52 107.032 8.115 5.233 1.00 0.00 H new ATOM 0 HA LEU A 52 107.630 7.905 2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 52 106.856 10.371 2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 52 105.743 9.150 3.096 1.00 0.00 H new ATOM 0 HG LEU A 52 107.118 10.035 5.389 1.00 0.00 H new ATOM 0 HD11 LEU A 52 106.731 12.470 5.350 1.00 0.00 H new ATOM 0 HD12 LEU A 52 107.926 11.971 4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 52 106.262 12.362 3.636 1.00 0.00 H new ATOM 0 HD21 LEU A 52 104.912 10.946 6.014 1.00 0.00 H new ATOM 0 HD22 LEU A 52 104.370 10.778 4.327 1.00 0.00 H new ATOM 0 HD23 LEU A 52 104.775 9.331 5.280 1.00 0.00 H new ATOM 651 N TYR A 53 109.827 9.719 4.149 1.00 0.00 N ATOM 652 CA TYR A 53 111.125 10.379 4.054 1.00 0.00 C ATOM 653 C TYR A 53 112.264 9.371 4.183 1.00 0.00 C ATOM 654 O TYR A 53 113.155 9.306 3.338 1.00 0.00 O ATOM 655 CB TYR A 53 111.253 11.424 5.159 1.00 0.00 C ATOM 656 CG TYR A 53 112.007 12.657 4.727 1.00 0.00 C ATOM 657 CD1 TYR A 53 111.445 13.558 3.831 1.00 0.00 C ATOM 658 CD2 TYR A 53 113.289 12.912 5.196 1.00 0.00 C ATOM 659 CE1 TYR A 53 112.137 14.678 3.417 1.00 0.00 C ATOM 660 CE2 TYR A 53 113.989 14.030 4.785 1.00 0.00 C ATOM 661 CZ TYR A 53 113.410 14.910 3.897 1.00 0.00 C ATOM 662 OH TYR A 53 114.105 16.024 3.485 1.00 0.00 O ATOM 0 H TYR A 53 109.497 9.587 5.105 1.00 0.00 H new ATOM 0 HA TYR A 53 111.191 10.858 3.077 1.00 0.00 H new ATOM 0 HB2 TYR A 53 110.257 11.714 5.493 1.00 0.00 H new ATOM 0 HB3 TYR A 53 111.759 10.978 6.015 1.00 0.00 H new ATOM 0 HD1 TYR A 53 110.450 13.379 3.452 1.00 0.00 H new ATOM 0 HD2 TYR A 53 113.746 12.225 5.893 1.00 0.00 H new ATOM 0 HE1 TYR A 53 111.685 15.369 2.721 1.00 0.00 H new ATOM 0 HE2 TYR A 53 114.986 14.213 5.158 1.00 0.00 H new ATOM 0 HH TYR A 53 114.984 16.039 3.917 1.00 0.00 H new ATOM 672 N SER A 54 112.235 8.596 5.261 1.00 0.00 N ATOM 673 CA SER A 54 113.277 7.601 5.526 1.00 0.00 C ATOM 674 C SER A 54 113.043 6.291 4.772 1.00 0.00 C ATOM 675 O SER A 54 113.534 5.239 5.182 1.00 0.00 O ATOM 676 CB SER A 54 113.371 7.322 7.028 1.00 0.00 C ATOM 677 OG SER A 54 112.084 7.204 7.609 1.00 0.00 O ATOM 0 H SER A 54 111.502 8.635 5.969 1.00 0.00 H new ATOM 0 HA SER A 54 114.216 8.022 5.166 1.00 0.00 H new ATOM 0 HB2 SER A 54 113.934 6.404 7.195 1.00 0.00 H new ATOM 0 HB3 SER A 54 113.921 8.127 7.516 1.00 0.00 H new ATOM 0 HG SER A 54 112.173 7.024 8.568 1.00 0.00 H new ATOM 683 N LYS A 55 112.317 6.355 3.662 1.00 0.00 N ATOM 684 CA LYS A 55 112.055 5.166 2.854 1.00 0.00 C ATOM 685 C LYS A 55 111.894 5.539 1.383 1.00 0.00 C ATOM 686 O LYS A 55 112.441 4.875 0.504 1.00 0.00 O ATOM 687 CB LYS A 55 110.813 4.420 3.351 1.00 0.00 C ATOM 688 CG LYS A 55 111.124 3.324 4.359 1.00 0.00 C ATOM 689 CD LYS A 55 111.245 1.965 3.687 1.00 0.00 C ATOM 690 CE LYS A 55 111.502 0.862 4.703 1.00 0.00 C ATOM 691 NZ LYS A 55 110.398 0.749 5.698 1.00 0.00 N ATOM 0 H LYS A 55 111.900 7.213 3.301 1.00 0.00 H new ATOM 0 HA LYS A 55 112.913 4.501 2.955 1.00 0.00 H new ATOM 0 HB2 LYS A 55 110.127 5.135 3.805 1.00 0.00 H new ATOM 0 HB3 LYS A 55 110.297 3.981 2.497 1.00 0.00 H new ATOM 0 HG2 LYS A 55 112.054 3.559 4.877 1.00 0.00 H new ATOM 0 HG3 LYS A 55 110.338 3.289 5.114 1.00 0.00 H new ATOM 0 HD2 LYS A 55 110.330 1.748 3.136 1.00 0.00 H new ATOM 0 HD3 LYS A 55 112.057 1.988 2.960 1.00 0.00 H new ATOM 0 HE2 LYS A 55 111.620 -0.089 4.183 1.00 0.00 H new ATOM 0 HE3 LYS A 55 112.439 1.060 5.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 110.489 -0.148 6.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 110.451 1.543 6.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 109.483 0.772 5.205 1.00 0.00 H new ATOM 705 N SER A 56 111.148 6.609 1.120 1.00 0.00 N ATOM 706 CA SER A 56 110.929 7.062 -0.250 1.00 0.00 C ATOM 707 C SER A 56 111.925 8.152 -0.644 1.00 0.00 C ATOM 708 O SER A 56 112.103 8.441 -1.826 1.00 0.00 O ATOM 709 CB SER A 56 109.501 7.579 -0.422 1.00 0.00 C ATOM 710 OG SER A 56 108.584 6.820 0.349 1.00 0.00 O ATOM 0 H SER A 56 110.688 7.175 1.833 1.00 0.00 H new ATOM 0 HA SER A 56 111.082 6.206 -0.907 1.00 0.00 H new ATOM 0 HB2 SER A 56 109.452 8.626 -0.123 1.00 0.00 H new ATOM 0 HB3 SER A 56 109.220 7.534 -1.474 1.00 0.00 H new ATOM 0 HG SER A 56 107.679 7.173 0.222 1.00 0.00 H new ATOM 716 N THR A 57 112.575 8.756 0.350 1.00 0.00 N ATOM 717 CA THR A 57 113.551 9.810 0.089 1.00 0.00 C ATOM 718 C THR A 57 114.963 9.358 0.457 1.00 0.00 C ATOM 719 O THR A 57 115.944 9.975 0.045 1.00 0.00 O ATOM 720 CB THR A 57 113.189 11.080 0.862 1.00 0.00 C ATOM 721 OG1 THR A 57 111.897 11.537 0.503 1.00 0.00 O ATOM 722 CG2 THR A 57 114.159 12.219 0.630 1.00 0.00 C ATOM 0 H THR A 57 112.444 8.535 1.337 1.00 0.00 H new ATOM 0 HA THR A 57 113.529 10.027 -0.979 1.00 0.00 H new ATOM 0 HB THR A 57 113.229 10.797 1.914 1.00 0.00 H new ATOM 0 HG1 THR A 57 111.685 12.349 1.010 1.00 0.00 H new ATOM 0 HG21 THR A 57 113.844 13.088 1.207 1.00 0.00 H new ATOM 0 HG22 THR A 57 115.158 11.916 0.945 1.00 0.00 H new ATOM 0 HG23 THR A 57 114.175 12.473 -0.430 1.00 0.00 H new ATOM 730 N ALA A 58 115.063 8.282 1.234 1.00 0.00 N ATOM 731 CA ALA A 58 116.361 7.758 1.650 1.00 0.00 C ATOM 732 C ALA A 58 116.611 6.379 1.056 1.00 0.00 C ATOM 733 O ALA A 58 117.713 6.082 0.593 1.00 0.00 O ATOM 734 CB ALA A 58 116.451 7.706 3.167 1.00 0.00 C ATOM 0 H ALA A 58 114.263 7.757 1.587 1.00 0.00 H new ATOM 0 HA ALA A 58 117.132 8.432 1.276 1.00 0.00 H new ATOM 0 HB1 ALA A 58 117.424 7.313 3.460 1.00 0.00 H new ATOM 0 HB2 ALA A 58 116.327 8.710 3.573 1.00 0.00 H new ATOM 0 HB3 ALA A 58 115.666 7.058 3.556 1.00 0.00 H new ATOM 740 N ALA A 59 115.581 5.542 1.061 1.00 0.00 N ATOM 741 CA ALA A 59 115.695 4.198 0.511 1.00 0.00 C ATOM 742 C ALA A 59 115.446 4.196 -0.997 1.00 0.00 C ATOM 743 O ALA A 59 115.397 3.137 -1.624 1.00 0.00 O ATOM 744 CB ALA A 59 114.729 3.254 1.212 1.00 0.00 C ATOM 0 H ALA A 59 114.661 5.769 1.438 1.00 0.00 H new ATOM 0 HA ALA A 59 116.713 3.848 0.683 1.00 0.00 H new ATOM 0 HB1 ALA A 59 114.827 2.254 0.790 1.00 0.00 H new ATOM 0 HB2 ALA A 59 114.960 3.222 2.277 1.00 0.00 H new ATOM 0 HB3 ALA A 59 113.708 3.609 1.072 1.00 0.00 H new ATOM 750 N MET A 60 115.289 5.386 -1.576 1.00 0.00 N ATOM 751 CA MET A 60 115.047 5.507 -3.009 1.00 0.00 C ATOM 752 C MET A 60 116.069 6.435 -3.664 1.00 0.00 C ATOM 753 O MET A 60 116.446 6.240 -4.819 1.00 0.00 O ATOM 754 CB MET A 60 113.631 6.025 -3.267 1.00 0.00 C ATOM 755 CG MET A 60 112.542 5.075 -2.797 1.00 0.00 C ATOM 756 SD MET A 60 110.922 5.483 -3.475 1.00 0.00 S ATOM 757 CE MET A 60 110.884 4.426 -4.921 1.00 0.00 C ATOM 0 H MET A 60 115.325 6.274 -1.076 1.00 0.00 H new ATOM 0 HA MET A 60 115.151 4.516 -3.451 1.00 0.00 H new ATOM 0 HB2 MET A 60 113.507 6.984 -2.765 1.00 0.00 H new ATOM 0 HB3 MET A 60 113.508 6.206 -4.335 1.00 0.00 H new ATOM 0 HG2 MET A 60 112.805 4.057 -3.084 1.00 0.00 H new ATOM 0 HG3 MET A 60 112.492 5.097 -1.708 1.00 0.00 H new ATOM 0 HE1 MET A 60 109.940 4.565 -5.448 1.00 0.00 H new ATOM 0 HE2 MET A 60 111.711 4.684 -5.582 1.00 0.00 H new ATOM 0 HE3 MET A 60 110.978 3.385 -4.613 1.00 0.00 H new ATOM 767 N SER A 61 116.512 7.445 -2.920 1.00 0.00 N ATOM 768 CA SER A 61 117.487 8.400 -3.432 1.00 0.00 C ATOM 769 C SER A 61 118.911 7.884 -3.245 1.00 0.00 C ATOM 770 O SER A 61 119.796 8.178 -4.047 1.00 0.00 O ATOM 771 CB SER A 61 117.327 9.749 -2.729 1.00 0.00 C ATOM 772 OG SER A 61 118.380 10.632 -3.072 1.00 0.00 O ATOM 0 H SER A 61 116.211 7.622 -1.962 1.00 0.00 H new ATOM 0 HA SER A 61 117.305 8.527 -4.499 1.00 0.00 H new ATOM 0 HB2 SER A 61 116.371 10.194 -3.004 1.00 0.00 H new ATOM 0 HB3 SER A 61 117.311 9.600 -1.649 1.00 0.00 H new ATOM 0 HG SER A 61 118.253 11.487 -2.611 1.00 0.00 H new ATOM 778 N THR A 62 119.124 7.117 -2.181 1.00 0.00 N ATOM 779 CA THR A 62 120.444 6.564 -1.890 1.00 0.00 C ATOM 780 C THR A 62 120.621 5.181 -2.516 1.00 0.00 C ATOM 781 O THR A 62 121.637 4.522 -2.300 1.00 0.00 O ATOM 782 CB THR A 62 120.661 6.478 -0.379 1.00 0.00 C ATOM 783 OG1 THR A 62 120.127 7.619 0.269 1.00 0.00 O ATOM 784 CG2 THR A 62 122.119 6.368 0.012 1.00 0.00 C ATOM 0 H THR A 62 118.402 6.864 -1.506 1.00 0.00 H new ATOM 0 HA THR A 62 121.186 7.233 -2.326 1.00 0.00 H new ATOM 0 HB THR A 62 120.149 5.569 -0.065 1.00 0.00 H new ATOM 0 HG1 THR A 62 119.211 7.430 0.562 1.00 0.00 H new ATOM 0 HG21 THR A 62 122.201 6.311 1.097 1.00 0.00 H new ATOM 0 HG22 THR A 62 122.548 5.470 -0.432 1.00 0.00 H new ATOM 0 HG23 THR A 62 122.659 7.244 -0.347 1.00 0.00 H new ATOM 792 N TYR A 63 119.634 4.746 -3.297 1.00 0.00 N ATOM 793 CA TYR A 63 119.688 3.452 -3.947 1.00 0.00 C ATOM 794 C TYR A 63 120.702 3.463 -5.081 1.00 0.00 C ATOM 795 O TYR A 63 121.335 2.448 -5.374 1.00 0.00 O ATOM 796 CB TYR A 63 118.313 3.109 -4.485 1.00 0.00 C ATOM 797 CG TYR A 63 117.784 1.776 -4.006 1.00 0.00 C ATOM 798 CD1 TYR A 63 117.645 1.511 -2.649 1.00 0.00 C ATOM 799 CD2 TYR A 63 117.432 0.782 -4.908 1.00 0.00 C ATOM 800 CE1 TYR A 63 117.170 0.292 -2.206 1.00 0.00 C ATOM 801 CE2 TYR A 63 116.953 -0.440 -4.473 1.00 0.00 C ATOM 802 CZ TYR A 63 116.824 -0.680 -3.122 1.00 0.00 C ATOM 803 OH TYR A 63 116.350 -1.897 -2.684 1.00 0.00 O ATOM 0 H TYR A 63 118.786 5.279 -3.491 1.00 0.00 H new ATOM 0 HA TYR A 63 119.998 2.701 -3.220 1.00 0.00 H new ATOM 0 HB2 TYR A 63 117.614 3.893 -4.194 1.00 0.00 H new ATOM 0 HB3 TYR A 63 118.350 3.104 -5.574 1.00 0.00 H new ATOM 0 HD1 TYR A 63 117.913 2.270 -1.929 1.00 0.00 H new ATOM 0 HD2 TYR A 63 117.534 0.966 -5.967 1.00 0.00 H new ATOM 0 HE1 TYR A 63 117.070 0.101 -1.148 1.00 0.00 H new ATOM 0 HE2 TYR A 63 116.681 -1.202 -5.188 1.00 0.00 H new ATOM 0 HH TYR A 63 116.152 -2.468 -3.456 1.00 0.00 H new ATOM 813 N THR A 64 120.859 4.623 -5.709 1.00 0.00 N ATOM 814 CA THR A 64 121.813 4.773 -6.802 1.00 0.00 C ATOM 815 C THR A 64 123.194 4.325 -6.346 1.00 0.00 C ATOM 816 O THR A 64 124.033 3.921 -7.151 1.00 0.00 O ATOM 817 CB THR A 64 121.864 6.225 -7.281 1.00 0.00 C ATOM 818 OG1 THR A 64 122.953 6.423 -8.165 1.00 0.00 O ATOM 819 CG2 THR A 64 122.003 7.222 -6.152 1.00 0.00 C ATOM 0 H THR A 64 120.340 5.471 -5.481 1.00 0.00 H new ATOM 0 HA THR A 64 121.489 4.149 -7.635 1.00 0.00 H new ATOM 0 HB THR A 64 120.912 6.398 -7.782 1.00 0.00 H new ATOM 0 HG1 THR A 64 122.968 7.357 -8.462 1.00 0.00 H new ATOM 0 HG21 THR A 64 122.033 8.232 -6.560 1.00 0.00 H new ATOM 0 HG22 THR A 64 121.152 7.129 -5.477 1.00 0.00 H new ATOM 0 HG23 THR A 64 122.924 7.025 -5.604 1.00 0.00 H new ATOM 827 N GLY A 65 123.404 4.389 -5.039 1.00 0.00 N ATOM 828 CA GLY A 65 124.664 3.977 -4.464 1.00 0.00 C ATOM 829 C GLY A 65 124.637 2.523 -4.041 1.00 0.00 C ATOM 830 O GLY A 65 125.684 1.885 -3.922 1.00 0.00 O ATOM 0 H GLY A 65 122.716 4.722 -4.363 1.00 0.00 H new ATOM 0 HA2 GLY A 65 125.463 4.130 -5.190 1.00 0.00 H new ATOM 0 HA3 GLY A 65 124.893 4.603 -3.601 1.00 0.00 H new ATOM 834 N ILE A 66 123.434 1.991 -3.820 1.00 0.00 N ATOM 835 CA ILE A 66 123.282 0.600 -3.418 1.00 0.00 C ATOM 836 C ILE A 66 123.081 -0.303 -4.629 1.00 0.00 C ATOM 837 O ILE A 66 123.125 -1.528 -4.517 1.00 0.00 O ATOM 838 CB ILE A 66 122.097 0.416 -2.450 1.00 0.00 C ATOM 839 CG1 ILE A 66 122.165 1.448 -1.323 1.00 0.00 C ATOM 840 CG2 ILE A 66 122.092 -0.996 -1.886 1.00 0.00 C ATOM 841 CD1 ILE A 66 123.400 1.318 -0.457 1.00 0.00 C ATOM 0 H ILE A 66 122.557 2.503 -3.913 1.00 0.00 H new ATOM 0 HA ILE A 66 124.202 0.319 -2.906 1.00 0.00 H new ATOM 0 HB ILE A 66 121.168 0.570 -3.000 1.00 0.00 H new ATOM 0 HG12 ILE A 66 122.138 2.448 -1.755 1.00 0.00 H new ATOM 0 HG13 ILE A 66 121.279 1.348 -0.696 1.00 0.00 H new ATOM 0 HG21 ILE A 66 121.250 -1.112 -1.204 1.00 0.00 H new ATOM 0 HG22 ILE A 66 122.000 -1.713 -2.702 1.00 0.00 H new ATOM 0 HG23 ILE A 66 123.023 -1.176 -1.348 1.00 0.00 H new ATOM 0 HD11 ILE A 66 123.381 2.082 0.321 1.00 0.00 H new ATOM 0 HD12 ILE A 66 123.419 0.331 0.004 1.00 0.00 H new ATOM 0 HD13 ILE A 66 124.291 1.448 -1.072 1.00 0.00 H new ATOM 853 N PHE A 67 122.863 0.311 -5.787 1.00 0.00 N ATOM 854 CA PHE A 67 122.660 -0.428 -7.018 1.00 0.00 C ATOM 855 C PHE A 67 123.933 -1.156 -7.429 1.00 0.00 C ATOM 856 O PHE A 67 123.920 -2.359 -7.690 1.00 0.00 O ATOM 857 CB PHE A 67 122.222 0.541 -8.111 1.00 0.00 C ATOM 858 CG PHE A 67 121.053 0.052 -8.918 1.00 0.00 C ATOM 859 CD1 PHE A 67 119.784 0.005 -8.364 1.00 0.00 C ATOM 860 CD2 PHE A 67 121.223 -0.364 -10.229 1.00 0.00 C ATOM 861 CE1 PHE A 67 118.706 -0.447 -9.101 1.00 0.00 C ATOM 862 CE2 PHE A 67 120.149 -0.816 -10.972 1.00 0.00 C ATOM 863 CZ PHE A 67 118.890 -0.858 -10.407 1.00 0.00 C ATOM 0 H PHE A 67 122.823 1.325 -5.894 1.00 0.00 H new ATOM 0 HA PHE A 67 121.885 -1.179 -6.863 1.00 0.00 H new ATOM 0 HB2 PHE A 67 121.963 1.497 -7.655 1.00 0.00 H new ATOM 0 HB3 PHE A 67 123.063 0.725 -8.780 1.00 0.00 H new ATOM 0 HD1 PHE A 67 119.635 0.326 -7.343 1.00 0.00 H new ATOM 0 HD2 PHE A 67 122.206 -0.335 -10.675 1.00 0.00 H new ATOM 0 HE1 PHE A 67 117.722 -0.479 -8.657 1.00 0.00 H new ATOM 0 HE2 PHE A 67 120.294 -1.136 -11.993 1.00 0.00 H new ATOM 0 HZ PHE A 67 118.050 -1.212 -10.986 1.00 0.00 H new ATOM 873 N THR A 68 125.032 -0.416 -7.470 1.00 0.00 N ATOM 874 CA THR A 68 126.327 -0.978 -7.838 1.00 0.00 C ATOM 875 C THR A 68 126.983 -1.658 -6.640 1.00 0.00 C ATOM 876 O THR A 68 127.797 -2.570 -6.797 1.00 0.00 O ATOM 877 CB THR A 68 127.247 0.117 -8.383 1.00 0.00 C ATOM 878 OG1 THR A 68 126.545 1.338 -8.535 1.00 0.00 O ATOM 879 CG2 THR A 68 127.862 -0.229 -9.722 1.00 0.00 C ATOM 0 H THR A 68 125.054 0.580 -7.252 1.00 0.00 H new ATOM 0 HA THR A 68 126.164 -1.725 -8.615 1.00 0.00 H new ATOM 0 HB THR A 68 128.046 0.212 -7.647 1.00 0.00 H new ATOM 0 HG1 THR A 68 127.153 2.024 -8.883 1.00 0.00 H new ATOM 0 HG21 THR A 68 128.502 0.589 -10.051 1.00 0.00 H new ATOM 0 HG22 THR A 68 128.456 -1.138 -9.626 1.00 0.00 H new ATOM 0 HG23 THR A 68 127.071 -0.388 -10.455 1.00 0.00 H new ATOM 887 N ASP A 69 126.626 -1.206 -5.440 1.00 0.00 N ATOM 888 CA ASP A 69 127.180 -1.767 -4.213 1.00 0.00 C ATOM 889 C ASP A 69 126.912 -3.267 -4.122 1.00 0.00 C ATOM 890 O ASP A 69 127.603 -3.985 -3.403 1.00 0.00 O ATOM 891 CB ASP A 69 126.591 -1.057 -2.992 1.00 0.00 C ATOM 892 CG ASP A 69 127.659 -0.580 -2.028 1.00 0.00 C ATOM 893 OD1 ASP A 69 128.772 -0.249 -2.490 1.00 0.00 O ATOM 894 OD2 ASP A 69 127.383 -0.536 -0.811 1.00 0.00 O ATOM 0 H ASP A 69 125.955 -0.452 -5.293 1.00 0.00 H new ATOM 0 HA ASP A 69 128.259 -1.613 -4.232 1.00 0.00 H new ATOM 0 HB2 ASP A 69 125.997 -0.205 -3.322 1.00 0.00 H new ATOM 0 HB3 ASP A 69 125.914 -1.735 -2.473 1.00 0.00 H new ATOM 899 N GLN A 70 125.905 -3.734 -4.854 1.00 0.00 N ATOM 900 CA GLN A 70 125.555 -5.148 -4.850 1.00 0.00 C ATOM 901 C GLN A 70 126.102 -5.858 -6.088 1.00 0.00 C ATOM 902 O GLN A 70 125.711 -6.985 -6.389 1.00 0.00 O ATOM 903 CB GLN A 70 124.036 -5.316 -4.780 1.00 0.00 C ATOM 904 CG GLN A 70 123.447 -4.966 -3.423 1.00 0.00 C ATOM 905 CD GLN A 70 122.239 -5.815 -3.077 1.00 0.00 C ATOM 906 OE1 GLN A 70 122.220 -6.502 -2.057 1.00 0.00 O ATOM 907 NE2 GLN A 70 121.221 -5.771 -3.930 1.00 0.00 N ATOM 0 H GLN A 70 125.319 -3.155 -5.455 1.00 0.00 H new ATOM 0 HA GLN A 70 126.008 -5.603 -3.969 1.00 0.00 H new ATOM 0 HB2 GLN A 70 123.574 -4.687 -5.541 1.00 0.00 H new ATOM 0 HB3 GLN A 70 123.781 -6.348 -5.022 1.00 0.00 H new ATOM 0 HG2 GLN A 70 124.210 -5.096 -2.655 1.00 0.00 H new ATOM 0 HG3 GLN A 70 123.162 -3.914 -3.415 1.00 0.00 H new ATOM 0 HE21 GLN A 70 121.280 -5.187 -4.764 1.00 0.00 H new ATOM 0 HE22 GLN A 70 120.381 -6.321 -3.750 1.00 0.00 H new ATOM 916 N VAL A 71 127.009 -5.192 -6.804 1.00 0.00 N ATOM 917 CA VAL A 71 127.606 -5.759 -8.008 1.00 0.00 C ATOM 918 C VAL A 71 128.992 -6.325 -7.714 1.00 0.00 C ATOM 919 O VAL A 71 129.196 -7.538 -7.759 1.00 0.00 O ATOM 920 CB VAL A 71 127.707 -4.697 -9.120 1.00 0.00 C ATOM 921 CG1 VAL A 71 128.347 -5.273 -10.376 1.00 0.00 C ATOM 922 CG2 VAL A 71 126.333 -4.126 -9.431 1.00 0.00 C ATOM 0 H VAL A 71 127.345 -4.258 -6.568 1.00 0.00 H new ATOM 0 HA VAL A 71 126.960 -6.568 -8.347 1.00 0.00 H new ATOM 0 HB VAL A 71 128.347 -3.891 -8.761 1.00 0.00 H new ATOM 0 HG11 VAL A 71 128.404 -4.500 -11.142 1.00 0.00 H new ATOM 0 HG12 VAL A 71 129.351 -5.628 -10.143 1.00 0.00 H new ATOM 0 HG13 VAL A 71 127.744 -6.104 -10.743 1.00 0.00 H new ATOM 0 HG21 VAL A 71 126.420 -3.377 -10.218 1.00 0.00 H new ATOM 0 HG22 VAL A 71 125.673 -4.927 -9.763 1.00 0.00 H new ATOM 0 HG23 VAL A 71 125.920 -3.664 -8.535 1.00 0.00 H new ATOM 932 N LEU A 72 129.933 -5.446 -7.388 1.00 0.00 N ATOM 933 CA LEU A 72 131.281 -5.872 -7.067 1.00 0.00 C ATOM 934 C LEU A 72 131.266 -6.630 -5.752 1.00 0.00 C ATOM 935 O LEU A 72 132.127 -7.468 -5.487 1.00 0.00 O ATOM 936 CB LEU A 72 132.251 -4.680 -6.981 1.00 0.00 C ATOM 937 CG LEU A 72 131.630 -3.318 -6.618 1.00 0.00 C ATOM 938 CD1 LEU A 72 132.131 -2.833 -5.264 1.00 0.00 C ATOM 939 CD2 LEU A 72 131.940 -2.289 -7.697 1.00 0.00 C ATOM 0 H LEU A 72 129.783 -4.438 -7.340 1.00 0.00 H new ATOM 0 HA LEU A 72 131.635 -6.522 -7.867 1.00 0.00 H new ATOM 0 HB2 LEU A 72 133.016 -4.915 -6.241 1.00 0.00 H new ATOM 0 HB3 LEU A 72 132.756 -4.580 -7.942 1.00 0.00 H new ATOM 0 HG LEU A 72 130.549 -3.445 -6.554 1.00 0.00 H new ATOM 0 HD11 LEU A 72 131.677 -1.870 -5.032 1.00 0.00 H new ATOM 0 HD12 LEU A 72 131.860 -3.557 -4.495 1.00 0.00 H new ATOM 0 HD13 LEU A 72 133.215 -2.725 -5.294 1.00 0.00 H new ATOM 0 HD21 LEU A 72 131.494 -1.332 -7.426 1.00 0.00 H new ATOM 0 HD22 LEU A 72 133.020 -2.173 -7.790 1.00 0.00 H new ATOM 0 HD23 LEU A 72 131.528 -2.624 -8.649 1.00 0.00 H new ATOM 951 N SER A 73 130.263 -6.332 -4.936 1.00 0.00 N ATOM 952 CA SER A 73 130.112 -6.978 -3.649 1.00 0.00 C ATOM 953 C SER A 73 129.575 -8.396 -3.802 1.00 0.00 C ATOM 954 O SER A 73 129.643 -9.198 -2.870 1.00 0.00 O ATOM 955 CB SER A 73 129.180 -6.164 -2.761 1.00 0.00 C ATOM 956 OG SER A 73 127.821 -6.438 -3.055 1.00 0.00 O ATOM 0 H SER A 73 129.542 -5.643 -5.149 1.00 0.00 H new ATOM 0 HA SER A 73 131.096 -7.035 -3.184 1.00 0.00 H new ATOM 0 HB2 SER A 73 129.381 -6.391 -1.714 1.00 0.00 H new ATOM 0 HB3 SER A 73 129.378 -5.101 -2.900 1.00 0.00 H new ATOM 0 HG SER A 73 127.274 -5.656 -2.831 1.00 0.00 H new ATOM 962 N VAL A 74 129.030 -8.698 -4.977 1.00 0.00 N ATOM 963 CA VAL A 74 128.468 -10.016 -5.239 1.00 0.00 C ATOM 964 C VAL A 74 129.187 -10.737 -6.375 1.00 0.00 C ATOM 965 O VAL A 74 129.103 -11.961 -6.481 1.00 0.00 O ATOM 966 CB VAL A 74 126.973 -9.914 -5.587 1.00 0.00 C ATOM 967 CG1 VAL A 74 126.345 -11.297 -5.679 1.00 0.00 C ATOM 968 CG2 VAL A 74 126.245 -9.057 -4.564 1.00 0.00 C ATOM 0 H VAL A 74 128.966 -8.048 -5.761 1.00 0.00 H new ATOM 0 HA VAL A 74 128.601 -10.593 -4.324 1.00 0.00 H new ATOM 0 HB VAL A 74 126.880 -9.436 -6.562 1.00 0.00 H new ATOM 0 HG11 VAL A 74 125.288 -11.201 -5.926 1.00 0.00 H new ATOM 0 HG12 VAL A 74 126.848 -11.874 -6.455 1.00 0.00 H new ATOM 0 HG13 VAL A 74 126.449 -11.808 -4.722 1.00 0.00 H new ATOM 0 HG21 VAL A 74 125.189 -8.996 -4.826 1.00 0.00 H new ATOM 0 HG22 VAL A 74 126.348 -9.504 -3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 74 126.675 -8.056 -4.556 1.00 0.00 H new ATOM 978 N LEU A 75 129.875 -9.991 -7.241 1.00 0.00 N ATOM 979 CA LEU A 75 130.570 -10.617 -8.369 1.00 0.00 C ATOM 980 C LEU A 75 132.081 -10.376 -8.344 1.00 0.00 C ATOM 981 O LEU A 75 132.816 -10.990 -9.118 1.00 0.00 O ATOM 982 CB LEU A 75 129.979 -10.131 -9.697 1.00 0.00 C ATOM 983 CG LEU A 75 130.455 -8.756 -10.168 1.00 0.00 C ATOM 984 CD1 LEU A 75 131.787 -8.872 -10.894 1.00 0.00 C ATOM 985 CD2 LEU A 75 129.410 -8.117 -11.070 1.00 0.00 C ATOM 0 H LEU A 75 129.966 -8.976 -7.187 1.00 0.00 H new ATOM 0 HA LEU A 75 130.418 -11.692 -8.273 1.00 0.00 H new ATOM 0 HB2 LEU A 75 130.217 -10.862 -10.469 1.00 0.00 H new ATOM 0 HB3 LEU A 75 128.893 -10.108 -9.604 1.00 0.00 H new ATOM 0 HG LEU A 75 130.596 -8.120 -9.294 1.00 0.00 H new ATOM 0 HD11 LEU A 75 132.110 -7.884 -11.222 1.00 0.00 H new ATOM 0 HD12 LEU A 75 132.533 -9.293 -10.220 1.00 0.00 H new ATOM 0 HD13 LEU A 75 131.673 -9.523 -11.761 1.00 0.00 H new ATOM 0 HD21 LEU A 75 129.762 -7.139 -11.398 1.00 0.00 H new ATOM 0 HD22 LEU A 75 129.242 -8.753 -11.939 1.00 0.00 H new ATOM 0 HD23 LEU A 75 128.476 -8.001 -10.520 1.00 0.00 H new ATOM 997 N LYS A 76 132.555 -9.495 -7.467 1.00 0.00 N ATOM 998 CA LYS A 76 133.986 -9.216 -7.387 1.00 0.00 C ATOM 999 C LYS A 76 134.593 -9.789 -6.112 1.00 0.00 C ATOM 1000 O LYS A 76 135.806 -9.737 -5.911 1.00 0.00 O ATOM 1001 CB LYS A 76 134.221 -7.712 -7.434 1.00 0.00 C ATOM 1002 CG LYS A 76 134.884 -7.235 -8.718 1.00 0.00 C ATOM 1003 CD LYS A 76 136.343 -7.657 -8.782 1.00 0.00 C ATOM 1004 CE LYS A 76 137.190 -6.624 -9.508 1.00 0.00 C ATOM 1005 NZ LYS A 76 138.629 -6.717 -9.131 1.00 0.00 N ATOM 0 H LYS A 76 131.979 -8.969 -6.810 1.00 0.00 H new ATOM 0 HA LYS A 76 134.471 -9.693 -8.239 1.00 0.00 H new ATOM 0 HB2 LYS A 76 133.266 -7.200 -7.317 1.00 0.00 H new ATOM 0 HB3 LYS A 76 134.842 -7.424 -6.586 1.00 0.00 H new ATOM 0 HG2 LYS A 76 134.349 -7.640 -9.577 1.00 0.00 H new ATOM 0 HG3 LYS A 76 134.815 -6.149 -8.783 1.00 0.00 H new ATOM 0 HD2 LYS A 76 136.727 -7.799 -7.772 1.00 0.00 H new ATOM 0 HD3 LYS A 76 136.423 -8.618 -9.291 1.00 0.00 H new ATOM 0 HE2 LYS A 76 137.088 -6.763 -10.584 1.00 0.00 H new ATOM 0 HE3 LYS A 76 136.819 -5.625 -9.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 139.171 -5.996 -9.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 138.731 -6.559 -8.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 138.991 -7.661 -9.373 1.00 0.00 H new ATOM 1019 N GLY A 77 133.740 -10.315 -5.245 1.00 0.00 N ATOM 1020 CA GLY A 77 134.204 -10.869 -3.992 1.00 0.00 C ATOM 1021 C GLY A 77 133.977 -9.899 -2.856 1.00 0.00 C ATOM 1022 O GLY A 77 134.869 -9.659 -2.041 1.00 0.00 O ATOM 0 H GLY A 77 132.732 -10.368 -5.389 1.00 0.00 H new ATOM 0 HA2 GLY A 77 133.681 -11.803 -3.787 1.00 0.00 H new ATOM 0 HA3 GLY A 77 135.265 -11.107 -4.066 1.00 0.00 H new ATOM 1026 N GLU A 78 132.776 -9.334 -2.815 1.00 0.00 N ATOM 1027 CA GLU A 78 132.416 -8.374 -1.788 1.00 0.00 C ATOM 1028 C GLU A 78 133.279 -7.117 -1.891 1.00 0.00 C ATOM 1029 O GLU A 78 133.959 -6.747 -0.931 1.00 0.00 O ATOM 1030 CB GLU A 78 132.560 -9.015 -0.414 1.00 0.00 C ATOM 1031 CG GLU A 78 131.604 -8.451 0.626 1.00 0.00 C ATOM 1032 CD GLU A 78 131.871 -8.992 2.017 1.00 0.00 C ATOM 1033 OE1 GLU A 78 133.051 -9.244 2.340 1.00 0.00 O ATOM 1034 OE2 GLU A 78 130.900 -9.162 2.783 1.00 0.00 O ATOM 0 H GLU A 78 132.034 -9.528 -3.487 1.00 0.00 H new ATOM 0 HA GLU A 78 131.378 -8.077 -1.933 1.00 0.00 H new ATOM 0 HB2 GLU A 78 132.393 -10.088 -0.504 1.00 0.00 H new ATOM 0 HB3 GLU A 78 133.584 -8.880 -0.065 1.00 0.00 H new ATOM 0 HG2 GLU A 78 131.688 -7.364 0.640 1.00 0.00 H new ATOM 0 HG3 GLU A 78 130.579 -8.687 0.339 1.00 0.00 H new ATOM 1041 N GLU A 79 133.252 -6.452 -3.053 1.00 0.00 N ATOM 1042 CA GLU A 79 134.043 -5.243 -3.238 1.00 0.00 C ATOM 1043 C GLU A 79 135.532 -5.531 -3.068 1.00 0.00 C ATOM 1044 O GLU A 79 136.351 -4.689 -3.494 1.00 0.00 O ATOM 1045 CB GLU A 79 133.602 -4.166 -2.243 1.00 0.00 C ATOM 1046 CG GLU A 79 134.207 -2.799 -2.515 1.00 0.00 C ATOM 1047 CD GLU A 79 134.048 -1.849 -1.343 1.00 0.00 C ATOM 1048 OE1 GLU A 79 132.973 -1.867 -0.707 1.00 0.00 O ATOM 1049 OE2 GLU A 79 134.997 -1.086 -1.063 1.00 0.00 O ATOM 0 H GLU A 79 132.698 -6.730 -3.863 1.00 0.00 H new ATOM 0 HA GLU A 79 133.878 -4.883 -4.253 1.00 0.00 H new ATOM 0 HB2 GLU A 79 132.515 -4.084 -2.268 1.00 0.00 H new ATOM 0 HB3 GLU A 79 133.875 -4.481 -1.236 1.00 0.00 H new ATOM 0 HG2 GLU A 79 135.266 -2.913 -2.744 1.00 0.00 H new ATOM 0 HG3 GLU A 79 133.735 -2.365 -3.397 1.00 0.00 H new