USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 808 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 15:sc= 0.528! USER MOD Single : A 10 LYS NZ :NH3+ -133:sc= 0 (180deg=-1.61!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 40:sc= 0.319 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN :FLIP amide:sc= -1.28! C(o=-6.6!,f=-1.3!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -170:sc= 0.00807 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -80:sc= -1.17 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -153:sc= -0.0715 (180deg=-0.438) USER MOD Single : A 71 CYS SG : rot -49:sc= -1.78! USER MOD Single : A 78 ASN : amide:sc= -0.373 K(o=-0.37,f=-1.3) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 164:sc= -0.622 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.052 USER MOD Single : A 92 GLN : amide:sc= -2.96! C(o=-3!,f=-6.8!) USER MOD Single : A 97 LYS NZ :NH3+ 160:sc= -0.0859 (180deg=-0.623) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.427 21.134 13.149 1.00 0.00 N ATOM 2 CA GLY A 1 -2.414 21.767 13.977 1.00 0.00 C ATOM 3 C GLY A 1 -2.364 21.128 15.366 1.00 0.00 C ATOM 4 O GLY A 1 -2.387 19.904 15.492 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.441 21.585 12.212 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.207 20.123 13.043 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.359 21.240 13.598 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.439 21.679 13.497 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.628 22.832 14.070 1.00 0.00 H new ATOM 8 N SER A 2 -2.297 21.985 16.374 1.00 0.00 N ATOM 9 CA SER A 2 -2.243 21.519 17.750 1.00 0.00 C ATOM 10 C SER A 2 -3.473 20.664 18.061 1.00 0.00 C ATOM 11 O SER A 2 -3.345 19.500 18.437 1.00 0.00 O ATOM 12 CB SER A 2 -2.153 22.694 18.726 1.00 0.00 C ATOM 13 OG SER A 2 -1.099 23.590 18.386 1.00 0.00 O ATOM 0 H SER A 2 -2.279 22.999 16.266 1.00 0.00 H new ATOM 0 HA SER A 2 -1.346 20.912 17.871 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.100 23.234 18.732 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.995 22.315 19.736 1.00 0.00 H new ATOM 0 HG SER A 2 -1.075 24.327 19.031 1.00 0.00 H new ATOM 19 N SER A 3 -4.637 21.275 17.893 1.00 0.00 N ATOM 20 CA SER A 3 -5.889 20.584 18.151 1.00 0.00 C ATOM 21 C SER A 3 -6.237 19.673 16.972 1.00 0.00 C ATOM 22 O SER A 3 -6.662 20.148 15.920 1.00 0.00 O ATOM 23 CB SER A 3 -7.024 21.577 18.407 1.00 0.00 C ATOM 24 OG SER A 3 -6.962 22.132 19.718 1.00 0.00 O ATOM 0 H SER A 3 -4.739 22.241 17.581 1.00 0.00 H new ATOM 0 HA SER A 3 -5.765 19.976 19.047 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.977 22.380 17.671 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.982 21.076 18.270 1.00 0.00 H new ATOM 0 HG SER A 3 -7.702 22.762 19.842 1.00 0.00 H new ATOM 30 N GLY A 4 -6.043 18.380 17.187 1.00 0.00 N ATOM 31 CA GLY A 4 -6.331 17.398 16.155 1.00 0.00 C ATOM 32 C GLY A 4 -6.667 16.038 16.770 1.00 0.00 C ATOM 33 O GLY A 4 -5.888 15.092 16.656 1.00 0.00 O ATOM 0 H GLY A 4 -5.690 17.990 18.061 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.166 17.741 15.544 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.471 17.299 15.492 1.00 0.00 H new ATOM 37 N SER A 5 -7.826 15.983 17.410 1.00 0.00 N ATOM 38 CA SER A 5 -8.273 14.754 18.043 1.00 0.00 C ATOM 39 C SER A 5 -9.801 14.734 18.125 1.00 0.00 C ATOM 40 O SER A 5 -10.444 15.781 18.055 1.00 0.00 O ATOM 41 CB SER A 5 -7.665 14.601 19.439 1.00 0.00 C ATOM 42 OG SER A 5 -8.100 15.627 20.327 1.00 0.00 O ATOM 0 H SER A 5 -8.469 16.769 17.504 1.00 0.00 H new ATOM 0 HA SER A 5 -7.937 13.914 17.435 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.937 13.628 19.848 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.578 14.623 19.365 1.00 0.00 H new ATOM 0 HG SER A 5 -7.691 15.493 21.207 1.00 0.00 H new ATOM 48 N SER A 6 -10.338 13.532 18.273 1.00 0.00 N ATOM 49 CA SER A 6 -11.778 13.362 18.365 1.00 0.00 C ATOM 50 C SER A 6 -12.108 11.939 18.821 1.00 0.00 C ATOM 51 O SER A 6 -11.734 10.970 18.162 1.00 0.00 O ATOM 52 CB SER A 6 -12.455 13.661 17.026 1.00 0.00 C ATOM 53 OG SER A 6 -12.397 12.548 16.138 1.00 0.00 O ATOM 0 H SER A 6 -9.802 12.666 18.331 1.00 0.00 H new ATOM 0 HA SER A 6 -12.160 14.070 19.100 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.496 13.933 17.199 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.974 14.521 16.561 1.00 0.00 H new ATOM 0 HG SER A 6 -12.151 11.742 16.639 1.00 0.00 H new ATOM 59 N GLY A 7 -12.806 11.859 19.944 1.00 0.00 N ATOM 60 CA GLY A 7 -13.191 10.571 20.495 1.00 0.00 C ATOM 61 C GLY A 7 -12.170 10.089 21.528 1.00 0.00 C ATOM 62 O GLY A 7 -11.203 10.789 21.823 1.00 0.00 O ATOM 0 H GLY A 7 -13.115 12.665 20.487 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.174 10.649 20.959 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.275 9.838 19.692 1.00 0.00 H new ATOM 66 N PHE A 8 -12.420 8.896 22.048 1.00 0.00 N ATOM 67 CA PHE A 8 -11.535 8.312 23.041 1.00 0.00 C ATOM 68 C PHE A 8 -10.077 8.372 22.579 1.00 0.00 C ATOM 69 O PHE A 8 -9.794 8.241 21.389 1.00 0.00 O ATOM 70 CB PHE A 8 -11.947 6.847 23.201 1.00 0.00 C ATOM 71 CG PHE A 8 -13.277 6.651 23.930 1.00 0.00 C ATOM 72 CD1 PHE A 8 -13.301 6.554 25.287 1.00 0.00 C ATOM 73 CD2 PHE A 8 -14.436 6.573 23.222 1.00 0.00 C ATOM 74 CE1 PHE A 8 -14.536 6.372 25.963 1.00 0.00 C ATOM 75 CE2 PHE A 8 -15.671 6.391 23.899 1.00 0.00 C ATOM 76 CZ PHE A 8 -15.695 6.294 25.255 1.00 0.00 C ATOM 0 H PHE A 8 -13.223 8.318 21.800 1.00 0.00 H new ATOM 0 HA PHE A 8 -11.614 8.862 23.979 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -12.015 6.389 22.214 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -11.165 6.318 23.745 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -12.381 6.615 25.849 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -14.417 6.650 22.145 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -14.555 6.295 27.040 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -16.591 6.330 23.337 1.00 0.00 H new ATOM 0 HZ PHE A 8 -16.634 6.155 25.770 1.00 0.00 H new ATOM 86 N PHE A 9 -9.192 8.571 23.544 1.00 0.00 N ATOM 87 CA PHE A 9 -7.771 8.650 23.251 1.00 0.00 C ATOM 88 C PHE A 9 -7.280 7.371 22.569 1.00 0.00 C ATOM 89 O PHE A 9 -6.928 6.402 23.238 1.00 0.00 O ATOM 90 CB PHE A 9 -7.047 8.810 24.589 1.00 0.00 C ATOM 91 CG PHE A 9 -5.527 8.663 24.496 1.00 0.00 C ATOM 92 CD1 PHE A 9 -4.760 9.731 24.148 1.00 0.00 C ATOM 93 CD2 PHE A 9 -4.942 7.464 24.760 1.00 0.00 C ATOM 94 CE1 PHE A 9 -3.350 9.595 24.061 1.00 0.00 C ATOM 95 CE2 PHE A 9 -3.531 7.328 24.673 1.00 0.00 C ATOM 96 CZ PHE A 9 -2.765 8.396 24.325 1.00 0.00 C ATOM 0 H PHE A 9 -9.431 8.680 24.530 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.575 9.486 22.580 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.282 9.791 25.003 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.431 8.068 25.289 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.224 10.683 23.938 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.550 6.615 25.036 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.742 10.444 23.785 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.066 6.376 24.883 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.692 8.292 24.258 1.00 0.00 H new ATOM 106 N LYS A 10 -7.272 7.412 21.244 1.00 0.00 N ATOM 107 CA LYS A 10 -6.829 6.269 20.464 1.00 0.00 C ATOM 108 C LYS A 10 -5.901 6.748 19.346 1.00 0.00 C ATOM 109 O LYS A 10 -6.181 7.749 18.689 1.00 0.00 O ATOM 110 CB LYS A 10 -8.031 5.465 19.962 1.00 0.00 C ATOM 111 CG LYS A 10 -8.711 4.720 21.113 1.00 0.00 C ATOM 112 CD LYS A 10 -8.648 3.206 20.899 1.00 0.00 C ATOM 113 CE LYS A 10 -7.527 2.581 21.731 1.00 0.00 C ATOM 114 NZ LYS A 10 -6.209 2.861 21.119 1.00 0.00 N ATOM 0 H LYS A 10 -7.565 8.218 20.692 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.253 5.584 21.086 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.747 6.134 19.484 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.706 4.752 19.204 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.227 4.978 22.055 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.751 5.037 21.192 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.603 2.756 21.172 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.485 2.991 19.843 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.555 2.978 22.746 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.679 1.504 21.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.650 1.985 21.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.345 3.226 20.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.705 3.570 21.689 1.00 0.00 H new ATOM 128 N GLY A 11 -4.815 6.011 19.166 1.00 0.00 N ATOM 129 CA GLY A 11 -3.843 6.348 18.139 1.00 0.00 C ATOM 130 C GLY A 11 -2.823 5.223 17.959 1.00 0.00 C ATOM 131 O GLY A 11 -2.170 4.813 18.917 1.00 0.00 O ATOM 0 H GLY A 11 -4.586 5.182 19.714 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.356 6.533 17.195 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.329 7.270 18.409 1.00 0.00 H new ATOM 135 N ALA A 12 -2.717 4.755 16.724 1.00 0.00 N ATOM 136 CA ALA A 12 -1.787 3.686 16.406 1.00 0.00 C ATOM 137 C ALA A 12 -2.115 2.459 17.260 1.00 0.00 C ATOM 138 O ALA A 12 -2.950 2.531 18.160 1.00 0.00 O ATOM 139 CB ALA A 12 -0.353 4.176 16.617 1.00 0.00 C ATOM 0 H ALA A 12 -3.260 5.097 15.932 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.881 3.395 15.360 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.345 3.373 16.378 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.161 5.029 15.967 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.220 4.475 17.657 1.00 0.00 H new ATOM 145 N ALA A 13 -1.442 1.362 16.946 1.00 0.00 N ATOM 146 CA ALA A 13 -1.652 0.122 17.673 1.00 0.00 C ATOM 147 C ALA A 13 -2.927 -0.553 17.164 1.00 0.00 C ATOM 148 O ALA A 13 -2.864 -1.586 16.499 1.00 0.00 O ATOM 149 CB ALA A 13 -1.706 0.413 19.175 1.00 0.00 C ATOM 0 H ALA A 13 -0.751 1.306 16.198 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.824 -0.567 17.504 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.864 -0.517 19.720 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.766 0.865 19.492 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.527 1.099 19.383 1.00 0.00 H new ATOM 155 N SER A 14 -4.055 0.057 17.496 1.00 0.00 N ATOM 156 CA SER A 14 -5.343 -0.472 17.080 1.00 0.00 C ATOM 157 C SER A 14 -6.042 0.522 16.150 1.00 0.00 C ATOM 158 O SER A 14 -6.696 1.456 16.612 1.00 0.00 O ATOM 159 CB SER A 14 -6.228 -0.779 18.290 1.00 0.00 C ATOM 160 OG SER A 14 -6.079 -2.126 18.732 1.00 0.00 O ATOM 0 H SER A 14 -4.104 0.913 18.049 1.00 0.00 H new ATOM 0 HA SER A 14 -5.172 -1.404 16.542 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.976 -0.100 19.105 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.271 -0.595 18.032 1.00 0.00 H new ATOM 0 HG SER A 14 -6.659 -2.282 19.507 1.00 0.00 H new ATOM 166 N SER A 15 -5.879 0.287 14.856 1.00 0.00 N ATOM 167 CA SER A 15 -6.486 1.150 13.857 1.00 0.00 C ATOM 168 C SER A 15 -6.037 0.725 12.457 1.00 0.00 C ATOM 169 O SER A 15 -4.915 1.015 12.047 1.00 0.00 O ATOM 170 CB SER A 15 -6.130 2.617 14.106 1.00 0.00 C ATOM 171 OG SER A 15 -4.725 2.810 14.239 1.00 0.00 O ATOM 0 H SER A 15 -5.336 -0.488 14.477 1.00 0.00 H new ATOM 0 HA SER A 15 -7.569 1.050 13.931 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.503 3.225 13.282 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.631 2.963 15.010 1.00 0.00 H new ATOM 0 HG SER A 15 -4.254 2.246 13.590 1.00 0.00 H new ATOM 177 N VAL A 16 -6.938 0.045 11.763 1.00 0.00 N ATOM 178 CA VAL A 16 -6.649 -0.422 10.418 1.00 0.00 C ATOM 179 C VAL A 16 -7.791 -0.015 9.485 1.00 0.00 C ATOM 180 O VAL A 16 -8.957 -0.046 9.875 1.00 0.00 O ATOM 181 CB VAL A 16 -6.396 -1.931 10.431 1.00 0.00 C ATOM 182 CG1 VAL A 16 -6.078 -2.445 9.025 1.00 0.00 C ATOM 183 CG2 VAL A 16 -5.278 -2.291 11.412 1.00 0.00 C ATOM 0 H VAL A 16 -7.868 -0.194 12.107 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.739 0.043 10.039 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.309 -2.421 10.769 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.902 -3.520 9.062 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.919 -2.237 8.363 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.186 -1.944 8.648 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.118 -3.369 11.402 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.359 -1.785 11.117 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.560 -1.975 12.417 1.00 0.00 H new ATOM 193 N LEU A 17 -7.417 0.356 8.269 1.00 0.00 N ATOM 194 CA LEU A 17 -8.396 0.768 7.278 1.00 0.00 C ATOM 195 C LEU A 17 -8.901 -0.464 6.524 1.00 0.00 C ATOM 196 O LEU A 17 -8.112 -1.212 5.949 1.00 0.00 O ATOM 197 CB LEU A 17 -7.813 1.850 6.366 1.00 0.00 C ATOM 198 CG LEU A 17 -7.836 3.276 6.919 1.00 0.00 C ATOM 199 CD1 LEU A 17 -7.398 4.284 5.854 1.00 0.00 C ATOM 200 CD2 LEU A 17 -9.210 3.617 7.499 1.00 0.00 C ATOM 0 H LEU A 17 -6.449 0.380 7.948 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.260 1.223 7.762 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.780 1.587 6.137 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.361 1.838 5.424 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.117 3.337 7.736 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.423 5.290 6.273 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.384 4.052 5.528 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.074 4.229 5.001 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.199 4.636 7.885 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.966 3.533 6.718 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.446 2.925 8.308 1.00 0.00 H new ATOM 212 N GLU A 18 -10.215 -0.637 6.552 1.00 0.00 N ATOM 213 CA GLU A 18 -10.835 -1.766 5.878 1.00 0.00 C ATOM 214 C GLU A 18 -11.203 -1.389 4.442 1.00 0.00 C ATOM 215 O GLU A 18 -11.994 -0.473 4.220 1.00 0.00 O ATOM 216 CB GLU A 18 -12.062 -2.257 6.649 1.00 0.00 C ATOM 217 CG GLU A 18 -11.660 -2.855 7.998 1.00 0.00 C ATOM 218 CD GLU A 18 -12.863 -2.943 8.939 1.00 0.00 C ATOM 219 OE1 GLU A 18 -13.648 -3.901 8.768 1.00 0.00 O ATOM 220 OE2 GLU A 18 -12.971 -2.052 9.808 1.00 0.00 O ATOM 0 H GLU A 18 -10.867 -0.015 7.030 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.117 -2.585 5.844 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.753 -1.428 6.806 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.591 -3.005 6.059 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.238 -3.849 7.848 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.881 -2.243 8.454 1.00 0.00 H new ATOM 227 N LEU A 19 -10.613 -2.116 3.504 1.00 0.00 N ATOM 228 CA LEU A 19 -10.869 -1.870 2.095 1.00 0.00 C ATOM 229 C LEU A 19 -12.371 -1.987 1.826 1.00 0.00 C ATOM 230 O LEU A 19 -13.129 -2.416 2.695 1.00 0.00 O ATOM 231 CB LEU A 19 -10.015 -2.794 1.226 1.00 0.00 C ATOM 232 CG LEU A 19 -8.519 -2.478 1.179 1.00 0.00 C ATOM 233 CD1 LEU A 19 -8.262 -1.149 0.466 1.00 0.00 C ATOM 234 CD2 LEU A 19 -7.909 -2.503 2.582 1.00 0.00 C ATOM 0 H LEU A 19 -9.959 -2.875 3.692 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.575 -0.856 1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.139 -3.815 1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.404 -2.765 0.208 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.023 -3.256 0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.191 -0.948 0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.640 -1.205 -0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.772 -0.346 0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.845 -2.275 2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.404 -1.760 3.207 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.043 -3.492 3.020 1.00 0.00 H new ATOM 246 N THR A 20 -12.756 -1.598 0.619 1.00 0.00 N ATOM 247 CA THR A 20 -14.153 -1.654 0.225 1.00 0.00 C ATOM 248 C THR A 20 -14.274 -1.801 -1.293 1.00 0.00 C ATOM 249 O THR A 20 -13.312 -1.563 -2.021 1.00 0.00 O ATOM 250 CB THR A 20 -14.849 -0.406 0.772 1.00 0.00 C ATOM 251 OG1 THR A 20 -14.664 0.570 -0.249 1.00 0.00 O ATOM 252 CG2 THR A 20 -14.127 0.183 1.986 1.00 0.00 C ATOM 0 H THR A 20 -12.124 -1.243 -0.099 1.00 0.00 H new ATOM 0 HA THR A 20 -14.647 -2.530 0.645 1.00 0.00 H new ATOM 0 HB THR A 20 -15.875 -0.653 1.045 1.00 0.00 H new ATOM 0 HG1 THR A 20 -15.086 1.412 0.023 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.662 1.066 2.334 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.093 -0.559 2.784 1.00 0.00 H new ATOM 0 HG23 THR A 20 -13.111 0.461 1.705 1.00 0.00 H new ATOM 260 N GLU A 21 -15.464 -2.192 -1.725 1.00 0.00 N ATOM 261 CA GLU A 21 -15.722 -2.373 -3.143 1.00 0.00 C ATOM 262 C GLU A 21 -14.927 -1.355 -3.962 1.00 0.00 C ATOM 263 O GLU A 21 -14.293 -1.710 -4.954 1.00 0.00 O ATOM 264 CB GLU A 21 -17.219 -2.271 -3.445 1.00 0.00 C ATOM 265 CG GLU A 21 -17.631 -3.277 -4.521 1.00 0.00 C ATOM 266 CD GLU A 21 -18.625 -2.654 -5.503 1.00 0.00 C ATOM 267 OE1 GLU A 21 -18.244 -1.643 -6.131 1.00 0.00 O ATOM 268 OE2 GLU A 21 -19.744 -3.202 -5.603 1.00 0.00 O ATOM 0 H GLU A 21 -16.260 -2.388 -1.118 1.00 0.00 H new ATOM 0 HA GLU A 21 -15.394 -3.373 -3.427 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.790 -2.452 -2.535 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -17.459 -1.261 -3.776 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.748 -3.620 -5.060 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.078 -4.153 -4.052 1.00 0.00 H new ATOM 275 N ALA A 22 -14.986 -0.108 -3.517 1.00 0.00 N ATOM 276 CA ALA A 22 -14.279 0.964 -4.196 1.00 0.00 C ATOM 277 C ALA A 22 -12.774 0.795 -3.978 1.00 0.00 C ATOM 278 O ALA A 22 -12.038 0.490 -4.915 1.00 0.00 O ATOM 279 CB ALA A 22 -14.793 2.314 -3.692 1.00 0.00 C ATOM 0 H ALA A 22 -15.513 0.184 -2.694 1.00 0.00 H new ATOM 0 HA ALA A 22 -14.463 0.925 -5.270 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.263 3.118 -4.201 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.860 2.396 -3.897 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.623 2.390 -2.618 1.00 0.00 H new ATOM 285 N GLU A 23 -12.362 0.999 -2.736 1.00 0.00 N ATOM 286 CA GLU A 23 -10.958 0.874 -2.383 1.00 0.00 C ATOM 287 C GLU A 23 -10.354 -0.368 -3.043 1.00 0.00 C ATOM 288 O GLU A 23 -9.315 -0.285 -3.696 1.00 0.00 O ATOM 289 CB GLU A 23 -10.776 0.831 -0.865 1.00 0.00 C ATOM 290 CG GLU A 23 -10.389 2.207 -0.320 1.00 0.00 C ATOM 291 CD GLU A 23 -10.836 2.367 1.134 1.00 0.00 C ATOM 292 OE1 GLU A 23 -10.607 1.412 1.907 1.00 0.00 O ATOM 293 OE2 GLU A 23 -11.397 3.442 1.440 1.00 0.00 O ATOM 0 H GLU A 23 -12.976 1.250 -1.961 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.430 1.753 -2.754 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.700 0.496 -0.394 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.005 0.104 -0.608 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.309 2.339 -0.389 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.845 2.986 -0.932 1.00 0.00 H new ATOM 300 N LEU A 24 -11.032 -1.490 -2.849 1.00 0.00 N ATOM 301 CA LEU A 24 -10.575 -2.747 -3.417 1.00 0.00 C ATOM 302 C LEU A 24 -10.023 -2.496 -4.822 1.00 0.00 C ATOM 303 O LEU A 24 -8.876 -2.832 -5.111 1.00 0.00 O ATOM 304 CB LEU A 24 -11.691 -3.792 -3.373 1.00 0.00 C ATOM 305 CG LEU A 24 -11.728 -4.681 -2.128 1.00 0.00 C ATOM 306 CD1 LEU A 24 -12.278 -3.915 -0.923 1.00 0.00 C ATOM 307 CD2 LEU A 24 -12.512 -5.968 -2.396 1.00 0.00 C ATOM 0 H LEU A 24 -11.894 -1.555 -2.307 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.760 -3.159 -2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.648 -3.277 -3.456 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.597 -4.432 -4.250 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.706 -4.971 -1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.294 -4.570 -0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.642 -3.054 -0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -13.291 -3.575 -1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.523 -6.582 -1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.535 -5.719 -2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.037 -6.521 -3.206 1.00 0.00 H new ATOM 319 N VAL A 25 -10.867 -1.909 -5.658 1.00 0.00 N ATOM 320 CA VAL A 25 -10.478 -1.609 -7.026 1.00 0.00 C ATOM 321 C VAL A 25 -9.086 -0.973 -7.028 1.00 0.00 C ATOM 322 O VAL A 25 -8.235 -1.337 -7.839 1.00 0.00 O ATOM 323 CB VAL A 25 -11.538 -0.729 -7.691 1.00 0.00 C ATOM 324 CG1 VAL A 25 -11.037 -0.183 -9.029 1.00 0.00 C ATOM 325 CG2 VAL A 25 -12.852 -1.493 -7.867 1.00 0.00 C ATOM 0 H VAL A 25 -11.818 -1.633 -5.415 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.419 -2.524 -7.615 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.729 0.120 -7.034 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.810 0.439 -9.480 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.140 0.414 -8.865 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.804 -1.013 -9.696 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.589 -0.845 -8.342 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.682 -2.369 -8.493 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -13.222 -1.810 -6.892 1.00 0.00 H new ATOM 335 N THR A 26 -8.898 -0.035 -6.112 1.00 0.00 N ATOM 336 CA THR A 26 -7.624 0.655 -5.998 1.00 0.00 C ATOM 337 C THR A 26 -6.583 -0.253 -5.341 1.00 0.00 C ATOM 338 O THR A 26 -5.422 -0.267 -5.746 1.00 0.00 O ATOM 339 CB THR A 26 -7.860 1.960 -5.236 1.00 0.00 C ATOM 340 OG1 THR A 26 -8.252 2.886 -6.246 1.00 0.00 O ATOM 341 CG2 THR A 26 -6.566 2.551 -4.671 1.00 0.00 C ATOM 0 H THR A 26 -9.606 0.264 -5.442 1.00 0.00 H new ATOM 0 HA THR A 26 -7.219 0.904 -6.979 1.00 0.00 H new ATOM 0 HB THR A 26 -8.564 1.783 -4.423 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.427 3.760 -5.839 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.790 3.476 -4.140 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.111 1.839 -3.983 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.875 2.760 -5.487 1.00 0.00 H new ATOM 349 N ALA A 27 -7.036 -0.989 -4.336 1.00 0.00 N ATOM 350 CA ALA A 27 -6.158 -1.897 -3.619 1.00 0.00 C ATOM 351 C ALA A 27 -5.690 -3.003 -4.567 1.00 0.00 C ATOM 352 O ALA A 27 -4.665 -3.639 -4.327 1.00 0.00 O ATOM 353 CB ALA A 27 -6.887 -2.450 -2.392 1.00 0.00 C ATOM 0 H ALA A 27 -8.000 -0.975 -4.002 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.272 -1.372 -3.263 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.228 -3.131 -1.854 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.172 -1.627 -1.736 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.781 -2.986 -2.711 1.00 0.00 H new ATOM 359 N GLU A 28 -6.465 -3.199 -5.624 1.00 0.00 N ATOM 360 CA GLU A 28 -6.143 -4.218 -6.609 1.00 0.00 C ATOM 361 C GLU A 28 -5.205 -3.647 -7.675 1.00 0.00 C ATOM 362 O GLU A 28 -4.326 -4.349 -8.174 1.00 0.00 O ATOM 363 CB GLU A 28 -7.413 -4.787 -7.244 1.00 0.00 C ATOM 364 CG GLU A 28 -7.994 -5.917 -6.392 1.00 0.00 C ATOM 365 CD GLU A 28 -7.632 -7.285 -6.974 1.00 0.00 C ATOM 366 OE1 GLU A 28 -6.416 -7.531 -7.132 1.00 0.00 O ATOM 367 OE2 GLU A 28 -8.579 -8.053 -7.248 1.00 0.00 O ATOM 0 H GLU A 28 -7.315 -2.670 -5.820 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.631 -5.037 -6.103 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.153 -3.995 -7.357 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.189 -5.159 -8.244 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.616 -5.840 -5.373 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.078 -5.816 -6.338 1.00 0.00 H new ATOM 374 N ALA A 29 -5.424 -2.380 -7.993 1.00 0.00 N ATOM 375 CA ALA A 29 -4.609 -1.707 -8.990 1.00 0.00 C ATOM 376 C ALA A 29 -3.169 -1.606 -8.483 1.00 0.00 C ATOM 377 O ALA A 29 -2.228 -1.597 -9.274 1.00 0.00 O ATOM 378 CB ALA A 29 -5.214 -0.337 -9.305 1.00 0.00 C ATOM 0 H ALA A 29 -6.154 -1.801 -7.578 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.592 -2.277 -9.919 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.602 0.168 -10.053 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.225 -0.466 -9.690 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.246 0.264 -8.396 1.00 0.00 H new ATOM 384 N VAL A 30 -3.044 -1.532 -7.166 1.00 0.00 N ATOM 385 CA VAL A 30 -1.734 -1.432 -6.544 1.00 0.00 C ATOM 386 C VAL A 30 -1.051 -2.800 -6.580 1.00 0.00 C ATOM 387 O VAL A 30 0.155 -2.890 -6.805 1.00 0.00 O ATOM 388 CB VAL A 30 -1.870 -0.869 -5.127 1.00 0.00 C ATOM 389 CG1 VAL A 30 -0.640 -1.209 -4.283 1.00 0.00 C ATOM 390 CG2 VAL A 30 -2.114 0.641 -5.159 1.00 0.00 C ATOM 0 H VAL A 30 -3.827 -1.539 -6.513 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.101 -0.738 -7.097 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.736 -1.338 -4.660 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.761 -0.798 -3.281 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.530 -2.292 -4.220 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.249 -0.780 -4.746 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.207 1.016 -4.140 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.277 1.134 -5.652 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.032 0.850 -5.708 1.00 0.00 H new ATOM 400 N ARG A 31 -1.852 -3.832 -6.356 1.00 0.00 N ATOM 401 CA ARG A 31 -1.339 -5.192 -6.360 1.00 0.00 C ATOM 402 C ARG A 31 -0.696 -5.512 -7.711 1.00 0.00 C ATOM 403 O ARG A 31 0.326 -6.194 -7.770 1.00 0.00 O ATOM 404 CB ARG A 31 -2.454 -6.202 -6.081 1.00 0.00 C ATOM 405 CG ARG A 31 -1.973 -7.303 -5.135 1.00 0.00 C ATOM 406 CD ARG A 31 -3.151 -8.116 -4.595 1.00 0.00 C ATOM 407 NE ARG A 31 -4.068 -7.237 -3.836 1.00 0.00 N ATOM 408 CZ ARG A 31 -5.069 -7.682 -3.065 1.00 0.00 C ATOM 409 NH1 ARG A 31 -5.288 -8.999 -2.946 1.00 0.00 N ATOM 410 NH2 ARG A 31 -5.851 -6.811 -2.413 1.00 0.00 N ATOM 0 H ARG A 31 -2.852 -3.754 -6.171 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.591 -5.267 -5.571 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.311 -5.691 -5.643 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.791 -6.645 -7.018 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.282 -7.962 -5.660 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.422 -6.860 -4.306 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.686 -8.588 -5.419 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.786 -8.917 -3.952 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.929 -6.229 -3.904 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.693 -9.662 -3.442 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.050 -9.338 -2.359 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.684 -5.809 -2.504 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.613 -7.150 -1.826 1.00 0.00 H new ATOM 424 N SER A 32 -1.322 -5.006 -8.763 1.00 0.00 N ATOM 425 CA SER A 32 -0.824 -5.230 -10.110 1.00 0.00 C ATOM 426 C SER A 32 0.553 -4.583 -10.272 1.00 0.00 C ATOM 427 O SER A 32 1.378 -5.058 -11.052 1.00 0.00 O ATOM 428 CB SER A 32 -1.796 -4.679 -11.155 1.00 0.00 C ATOM 429 OG SER A 32 -1.572 -5.247 -12.443 1.00 0.00 O ATOM 0 H SER A 32 -2.170 -4.441 -8.710 1.00 0.00 H new ATOM 0 HA SER A 32 -0.735 -6.305 -10.268 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.820 -4.883 -10.842 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.691 -3.596 -11.213 1.00 0.00 H new ATOM 0 HG SER A 32 -2.213 -4.871 -13.082 1.00 0.00 H new ATOM 435 N VAL A 33 0.759 -3.509 -9.524 1.00 0.00 N ATOM 436 CA VAL A 33 2.022 -2.792 -9.576 1.00 0.00 C ATOM 437 C VAL A 33 3.136 -3.690 -9.034 1.00 0.00 C ATOM 438 O VAL A 33 4.162 -3.876 -9.687 1.00 0.00 O ATOM 439 CB VAL A 33 1.902 -1.467 -8.821 1.00 0.00 C ATOM 440 CG1 VAL A 33 3.192 -0.651 -8.937 1.00 0.00 C ATOM 441 CG2 VAL A 33 0.698 -0.662 -9.314 1.00 0.00 C ATOM 0 H VAL A 33 0.073 -3.118 -8.879 1.00 0.00 H new ATOM 0 HA VAL A 33 2.278 -2.542 -10.606 1.00 0.00 H new ATOM 0 HB VAL A 33 1.743 -1.695 -7.767 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.080 0.286 -8.392 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.021 -1.219 -8.516 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.395 -0.438 -9.987 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.636 0.275 -8.761 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.813 -0.449 -10.377 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.214 -1.238 -9.156 1.00 0.00 H new ATOM 451 N TRP A 34 2.896 -4.224 -7.845 1.00 0.00 N ATOM 452 CA TRP A 34 3.866 -5.099 -7.208 1.00 0.00 C ATOM 453 C TRP A 34 4.218 -6.213 -8.195 1.00 0.00 C ATOM 454 O TRP A 34 5.376 -6.359 -8.585 1.00 0.00 O ATOM 455 CB TRP A 34 3.335 -5.627 -5.874 1.00 0.00 C ATOM 456 CG TRP A 34 3.234 -4.564 -4.779 1.00 0.00 C ATOM 457 CD1 TRP A 34 2.756 -3.316 -4.882 1.00 0.00 C ATOM 458 CD2 TRP A 34 3.642 -4.706 -3.402 1.00 0.00 C ATOM 459 NE1 TRP A 34 2.825 -2.647 -3.677 1.00 0.00 N ATOM 460 CE2 TRP A 34 3.381 -3.519 -2.749 1.00 0.00 C ATOM 461 CE3 TRP A 34 4.212 -5.802 -2.731 1.00 0.00 C ATOM 462 CZ2 TRP A 34 3.659 -3.313 -1.392 1.00 0.00 C ATOM 463 CZ3 TRP A 34 4.483 -5.581 -1.375 1.00 0.00 C ATOM 464 CH2 TRP A 34 4.227 -4.391 -0.703 1.00 0.00 C ATOM 0 H TRP A 34 2.044 -4.068 -7.306 1.00 0.00 H new ATOM 0 HA TRP A 34 4.776 -4.552 -6.962 1.00 0.00 H new ATOM 0 HB2 TRP A 34 2.349 -6.063 -6.034 1.00 0.00 H new ATOM 0 HB3 TRP A 34 3.986 -6.430 -5.528 1.00 0.00 H new ATOM 0 HD1 TRP A 34 2.366 -2.888 -5.794 1.00 0.00 H new ATOM 0 HE1 TRP A 34 2.523 -1.689 -3.500 1.00 0.00 H new ATOM 0 HE3 TRP A 34 4.424 -6.740 -3.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 3.447 -2.373 -0.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 4.921 -6.392 -0.812 1.00 0.00 H new ATOM 0 HH2 TRP A 34 4.465 -4.299 0.346 1.00 0.00 H new ATOM 475 N GLN A 35 3.199 -6.971 -8.571 1.00 0.00 N ATOM 476 CA GLN A 35 3.386 -8.068 -9.505 1.00 0.00 C ATOM 477 C GLN A 35 4.196 -7.601 -10.716 1.00 0.00 C ATOM 478 O GLN A 35 5.260 -8.148 -11.004 1.00 0.00 O ATOM 479 CB GLN A 35 2.041 -8.655 -9.939 1.00 0.00 C ATOM 480 CG GLN A 35 1.470 -9.574 -8.857 1.00 0.00 C ATOM 481 CD GLN A 35 1.895 -11.025 -9.090 1.00 0.00 C ATOM 482 OE1 GLN A 35 3.115 -11.310 -8.643 1.00 0.00 O flip ATOM 483 NE2 GLN A 35 1.164 -11.833 -9.639 1.00 0.00 N flip ATOM 0 H GLN A 35 2.240 -6.847 -8.246 1.00 0.00 H new ATOM 0 HA GLN A 35 3.944 -8.857 -9.001 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.337 -7.848 -10.145 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.166 -9.213 -10.867 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.813 -9.244 -7.876 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.382 -9.506 -8.854 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.238 -11.548 -9.959 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.479 -12.793 -9.778 1.00 0.00 H new ATOM 492 N ARG A 36 3.662 -6.595 -11.393 1.00 0.00 N ATOM 493 CA ARG A 36 4.323 -6.049 -12.566 1.00 0.00 C ATOM 494 C ARG A 36 5.807 -5.813 -12.279 1.00 0.00 C ATOM 495 O ARG A 36 6.658 -6.090 -13.123 1.00 0.00 O ATOM 496 CB ARG A 36 3.678 -4.729 -12.997 1.00 0.00 C ATOM 497 CG ARG A 36 2.490 -4.978 -13.928 1.00 0.00 C ATOM 498 CD ARG A 36 2.456 -3.950 -15.061 1.00 0.00 C ATOM 499 NE ARG A 36 2.446 -4.639 -16.370 1.00 0.00 N ATOM 500 CZ ARG A 36 2.210 -4.027 -17.539 1.00 0.00 C ATOM 501 NH1 ARG A 36 1.963 -2.711 -17.569 1.00 0.00 N ATOM 502 NH2 ARG A 36 2.221 -4.733 -18.678 1.00 0.00 N ATOM 0 H ARG A 36 2.780 -6.144 -11.152 1.00 0.00 H new ATOM 0 HA ARG A 36 4.217 -6.774 -13.373 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.346 -4.178 -12.117 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.417 -4.107 -13.503 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.555 -5.983 -14.346 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.561 -4.929 -13.359 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.571 -3.321 -14.965 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.323 -3.293 -14.993 1.00 0.00 H new ATOM 0 HE ARG A 36 2.630 -5.642 -16.384 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.954 -2.174 -16.702 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.784 -2.246 -18.459 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.409 -5.735 -18.655 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.041 -4.268 -19.568 1.00 0.00 H new ATOM 516 N ILE A 37 6.072 -5.304 -11.084 1.00 0.00 N ATOM 517 CA ILE A 37 7.439 -5.029 -10.675 1.00 0.00 C ATOM 518 C ILE A 37 8.164 -6.350 -10.412 1.00 0.00 C ATOM 519 O ILE A 37 9.036 -6.747 -11.183 1.00 0.00 O ATOM 520 CB ILE A 37 7.458 -4.069 -9.484 1.00 0.00 C ATOM 521 CG1 ILE A 37 6.973 -2.677 -9.893 1.00 0.00 C ATOM 522 CG2 ILE A 37 8.843 -4.026 -8.836 1.00 0.00 C ATOM 523 CD1 ILE A 37 7.026 -1.707 -8.711 1.00 0.00 C ATOM 0 H ILE A 37 5.364 -5.075 -10.387 1.00 0.00 H new ATOM 0 HA ILE A 37 7.981 -4.522 -11.473 1.00 0.00 H new ATOM 0 HB ILE A 37 6.763 -4.444 -8.733 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.591 -2.298 -10.707 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.952 -2.740 -10.270 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.829 -3.336 -7.992 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.112 -5.022 -8.485 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.577 -3.689 -9.568 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.676 -0.725 -9.030 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.388 -2.077 -7.908 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.052 -1.627 -8.352 1.00 0.00 H new ATOM 535 N LEU A 38 7.777 -6.993 -9.321 1.00 0.00 N ATOM 536 CA LEU A 38 8.380 -8.261 -8.946 1.00 0.00 C ATOM 537 C LEU A 38 8.056 -9.310 -10.013 1.00 0.00 C ATOM 538 O LEU A 38 6.903 -9.710 -10.164 1.00 0.00 O ATOM 539 CB LEU A 38 7.947 -8.665 -7.536 1.00 0.00 C ATOM 540 CG LEU A 38 8.209 -7.636 -6.434 1.00 0.00 C ATOM 541 CD1 LEU A 38 7.246 -7.832 -5.261 1.00 0.00 C ATOM 542 CD2 LEU A 38 9.671 -7.671 -5.987 1.00 0.00 C ATOM 0 H LEU A 38 7.053 -6.660 -8.684 1.00 0.00 H new ATOM 0 HA LEU A 38 9.465 -8.169 -8.907 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.880 -8.885 -7.554 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.459 -9.590 -7.271 1.00 0.00 H new ATOM 0 HG LEU A 38 8.021 -6.643 -6.843 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.453 -7.088 -4.492 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.220 -7.717 -5.610 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.378 -8.831 -4.845 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.830 -6.930 -5.203 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.910 -8.663 -5.603 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.316 -7.445 -6.836 1.00 0.00 H new ATOM 554 N PRO A 39 9.121 -9.735 -10.743 1.00 0.00 N ATOM 555 CA PRO A 39 8.961 -10.729 -11.791 1.00 0.00 C ATOM 556 C PRO A 39 8.767 -12.126 -11.196 1.00 0.00 C ATOM 557 O PRO A 39 7.674 -12.686 -11.263 1.00 0.00 O ATOM 558 CB PRO A 39 10.218 -10.614 -12.637 1.00 0.00 C ATOM 559 CG PRO A 39 11.239 -9.892 -11.773 1.00 0.00 C ATOM 560 CD PRO A 39 10.501 -9.283 -10.591 1.00 0.00 C ATOM 0 HA PRO A 39 8.071 -10.561 -12.398 1.00 0.00 H new ATOM 0 HB2 PRO A 39 10.582 -11.598 -12.931 1.00 0.00 H new ATOM 0 HB3 PRO A 39 10.021 -10.060 -13.555 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.006 -10.585 -11.428 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.745 -9.117 -12.348 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.925 -9.617 -9.644 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.565 -8.195 -10.602 1.00 0.00 H new ATOM 568 N LYS A 40 9.844 -12.648 -10.629 1.00 0.00 N ATOM 569 CA LYS A 40 9.806 -13.968 -10.024 1.00 0.00 C ATOM 570 C LYS A 40 8.483 -14.144 -9.276 1.00 0.00 C ATOM 571 O LYS A 40 7.856 -15.199 -9.355 1.00 0.00 O ATOM 572 CB LYS A 40 11.041 -14.192 -9.148 1.00 0.00 C ATOM 573 CG LYS A 40 12.301 -14.334 -10.004 1.00 0.00 C ATOM 574 CD LYS A 40 12.672 -15.806 -10.196 1.00 0.00 C ATOM 575 CE LYS A 40 12.044 -16.367 -11.473 1.00 0.00 C ATOM 576 NZ LYS A 40 12.546 -17.734 -11.740 1.00 0.00 N ATOM 0 H LYS A 40 10.749 -12.180 -10.576 1.00 0.00 H new ATOM 0 HA LYS A 40 9.844 -14.740 -10.793 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.158 -13.357 -8.458 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.905 -15.089 -8.543 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.139 -13.867 -10.975 1.00 0.00 H new ATOM 0 HG3 LYS A 40 13.128 -13.806 -9.530 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.756 -15.908 -10.244 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.335 -16.385 -9.336 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.959 -16.385 -11.374 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.277 -15.717 -12.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.110 -18.100 -12.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.579 -17.708 -11.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.302 -18.355 -10.943 1.00 0.00 H new ATOM 590 N VAL A 41 8.096 -13.093 -8.567 1.00 0.00 N ATOM 591 CA VAL A 41 6.859 -13.118 -7.806 1.00 0.00 C ATOM 592 C VAL A 41 5.691 -13.414 -8.749 1.00 0.00 C ATOM 593 O VAL A 41 5.358 -12.597 -9.607 1.00 0.00 O ATOM 594 CB VAL A 41 6.689 -11.804 -7.040 1.00 0.00 C ATOM 595 CG1 VAL A 41 5.322 -11.741 -6.357 1.00 0.00 C ATOM 596 CG2 VAL A 41 7.819 -11.611 -6.026 1.00 0.00 C ATOM 0 H VAL A 41 8.618 -12.219 -8.504 1.00 0.00 H new ATOM 0 HA VAL A 41 6.886 -13.913 -7.061 1.00 0.00 H new ATOM 0 HB VAL A 41 6.741 -10.987 -7.759 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.227 -10.797 -5.820 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.536 -11.811 -7.109 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.228 -12.569 -5.655 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.675 -10.670 -5.495 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.812 -12.435 -5.312 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.776 -11.590 -6.547 1.00 0.00 H new ATOM 606 N LEU A 42 5.101 -14.585 -8.559 1.00 0.00 N ATOM 607 CA LEU A 42 3.978 -15.000 -9.382 1.00 0.00 C ATOM 608 C LEU A 42 2.683 -14.444 -8.787 1.00 0.00 C ATOM 609 O LEU A 42 1.729 -14.169 -9.514 1.00 0.00 O ATOM 610 CB LEU A 42 3.972 -16.520 -9.555 1.00 0.00 C ATOM 611 CG LEU A 42 4.835 -17.069 -10.693 1.00 0.00 C ATOM 612 CD1 LEU A 42 5.542 -18.359 -10.272 1.00 0.00 C ATOM 613 CD2 LEU A 42 4.008 -17.258 -11.966 1.00 0.00 C ATOM 0 H LEU A 42 5.380 -15.260 -7.847 1.00 0.00 H new ATOM 0 HA LEU A 42 4.070 -14.589 -10.387 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.305 -16.973 -8.622 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.944 -16.843 -9.717 1.00 0.00 H new ATOM 0 HG LEU A 42 5.610 -16.336 -10.918 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.149 -18.728 -11.099 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.183 -18.159 -9.413 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.799 -19.110 -10.004 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.645 -17.649 -12.759 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.197 -17.960 -11.772 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.591 -16.299 -12.275 1.00 0.00 H new ATOM 625 N GLU A 43 2.690 -14.295 -7.471 1.00 0.00 N ATOM 626 CA GLU A 43 1.528 -13.776 -6.770 1.00 0.00 C ATOM 627 C GLU A 43 1.961 -12.811 -5.664 1.00 0.00 C ATOM 628 O GLU A 43 3.029 -12.974 -5.077 1.00 0.00 O ATOM 629 CB GLU A 43 0.677 -14.914 -6.202 1.00 0.00 C ATOM 630 CG GLU A 43 1.390 -15.602 -5.036 1.00 0.00 C ATOM 631 CD GLU A 43 1.086 -17.101 -5.014 1.00 0.00 C ATOM 632 OE1 GLU A 43 -0.070 -17.450 -5.338 1.00 0.00 O ATOM 633 OE2 GLU A 43 2.015 -17.865 -4.675 1.00 0.00 O ATOM 0 H GLU A 43 3.482 -14.525 -6.871 1.00 0.00 H new ATOM 0 HA GLU A 43 0.913 -13.227 -7.484 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.283 -14.522 -5.866 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.467 -15.642 -6.985 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.466 -15.447 -5.121 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.076 -15.150 -4.095 1.00 0.00 H new ATOM 640 N VAL A 44 1.109 -11.827 -5.414 1.00 0.00 N ATOM 641 CA VAL A 44 1.391 -10.836 -4.390 1.00 0.00 C ATOM 642 C VAL A 44 0.281 -10.867 -3.337 1.00 0.00 C ATOM 643 O VAL A 44 -0.898 -10.751 -3.670 1.00 0.00 O ATOM 644 CB VAL A 44 1.570 -9.458 -5.030 1.00 0.00 C ATOM 645 CG1 VAL A 44 1.222 -8.345 -4.040 1.00 0.00 C ATOM 646 CG2 VAL A 44 2.990 -9.286 -5.573 1.00 0.00 C ATOM 0 H VAL A 44 0.224 -11.695 -5.903 1.00 0.00 H new ATOM 0 HA VAL A 44 2.327 -11.067 -3.882 1.00 0.00 H new ATOM 0 HB VAL A 44 0.880 -9.386 -5.870 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.358 -7.376 -4.520 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.184 -8.451 -3.723 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.876 -8.414 -3.170 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.090 -8.298 -6.023 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.706 -9.388 -4.758 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.186 -10.049 -6.326 1.00 0.00 H new ATOM 656 N GLU A 45 0.696 -11.025 -2.089 1.00 0.00 N ATOM 657 CA GLU A 45 -0.248 -11.073 -0.986 1.00 0.00 C ATOM 658 C GLU A 45 0.091 -9.999 0.050 1.00 0.00 C ATOM 659 O GLU A 45 0.985 -9.183 -0.167 1.00 0.00 O ATOM 660 CB GLU A 45 -0.275 -12.462 -0.347 1.00 0.00 C ATOM 661 CG GLU A 45 1.140 -13.026 -0.202 1.00 0.00 C ATOM 662 CD GLU A 45 1.113 -14.416 0.438 1.00 0.00 C ATOM 663 OE1 GLU A 45 0.493 -14.533 1.517 1.00 0.00 O ATOM 664 OE2 GLU A 45 1.714 -15.331 -0.167 1.00 0.00 O ATOM 0 H GLU A 45 1.674 -11.122 -1.817 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.245 -10.870 -1.378 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.750 -12.407 0.632 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.878 -13.135 -0.956 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.615 -13.082 -1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.743 -12.353 0.407 1.00 0.00 H new ATOM 671 N ASP A 46 -0.642 -10.034 1.153 1.00 0.00 N ATOM 672 CA ASP A 46 -0.430 -9.074 2.223 1.00 0.00 C ATOM 673 C ASP A 46 0.834 -9.451 2.998 1.00 0.00 C ATOM 674 O ASP A 46 1.403 -8.622 3.706 1.00 0.00 O ATOM 675 CB ASP A 46 -1.604 -9.075 3.204 1.00 0.00 C ATOM 676 CG ASP A 46 -1.931 -10.437 3.820 1.00 0.00 C ATOM 677 OD1 ASP A 46 -1.073 -10.938 4.578 1.00 0.00 O ATOM 678 OD2 ASP A 46 -3.032 -10.947 3.519 1.00 0.00 O ATOM 0 H ASP A 46 -1.383 -10.712 1.329 1.00 0.00 H new ATOM 0 HA ASP A 46 -0.335 -8.085 1.775 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.386 -8.372 4.008 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.490 -8.705 2.688 1.00 0.00 H new ATOM 683 N SER A 47 1.236 -10.704 2.838 1.00 0.00 N ATOM 684 CA SER A 47 2.423 -11.201 3.513 1.00 0.00 C ATOM 685 C SER A 47 3.660 -10.954 2.648 1.00 0.00 C ATOM 686 O SER A 47 4.788 -11.041 3.132 1.00 0.00 O ATOM 687 CB SER A 47 2.289 -12.690 3.836 1.00 0.00 C ATOM 688 OG SER A 47 3.063 -13.061 4.974 1.00 0.00 O ATOM 0 H SER A 47 0.761 -11.389 2.251 1.00 0.00 H new ATOM 0 HA SER A 47 2.533 -10.661 4.454 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.241 -12.929 4.017 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.606 -13.278 2.975 1.00 0.00 H new ATOM 0 HG SER A 47 2.950 -14.019 5.149 1.00 0.00 H new ATOM 694 N THR A 48 3.407 -10.651 1.383 1.00 0.00 N ATOM 695 CA THR A 48 4.487 -10.390 0.446 1.00 0.00 C ATOM 696 C THR A 48 5.226 -9.106 0.827 1.00 0.00 C ATOM 697 O THR A 48 4.644 -8.023 0.811 1.00 0.00 O ATOM 698 CB THR A 48 3.891 -10.354 -0.963 1.00 0.00 C ATOM 699 OG1 THR A 48 3.904 -11.716 -1.381 1.00 0.00 O ATOM 700 CG2 THR A 48 4.805 -9.647 -1.967 1.00 0.00 C ATOM 0 H THR A 48 2.470 -10.580 0.985 1.00 0.00 H new ATOM 0 HA THR A 48 5.238 -11.180 0.477 1.00 0.00 H new ATOM 0 HB THR A 48 2.924 -9.851 -0.935 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.685 -11.768 -2.335 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.335 -9.649 -2.951 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.971 -8.619 -1.646 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.760 -10.169 -2.020 1.00 0.00 H new ATOM 708 N ASP A 49 6.498 -9.270 1.160 1.00 0.00 N ATOM 709 CA ASP A 49 7.323 -8.137 1.544 1.00 0.00 C ATOM 710 C ASP A 49 8.001 -7.561 0.300 1.00 0.00 C ATOM 711 O ASP A 49 8.846 -8.214 -0.309 1.00 0.00 O ATOM 712 CB ASP A 49 8.417 -8.560 2.526 1.00 0.00 C ATOM 713 CG ASP A 49 8.660 -7.588 3.682 1.00 0.00 C ATOM 714 OD1 ASP A 49 7.984 -7.759 4.720 1.00 0.00 O ATOM 715 OD2 ASP A 49 9.516 -6.695 3.502 1.00 0.00 O ATOM 0 H ASP A 49 6.977 -10.170 1.172 1.00 0.00 H new ATOM 0 HA ASP A 49 6.679 -7.397 2.019 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.156 -9.534 2.939 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.349 -8.686 1.975 1.00 0.00 H new ATOM 720 N PHE A 50 7.606 -6.343 -0.040 1.00 0.00 N ATOM 721 CA PHE A 50 8.165 -5.671 -1.200 1.00 0.00 C ATOM 722 C PHE A 50 9.663 -5.954 -1.329 1.00 0.00 C ATOM 723 O PHE A 50 10.189 -6.041 -2.437 1.00 0.00 O ATOM 724 CB PHE A 50 7.958 -4.169 -0.991 1.00 0.00 C ATOM 725 CG PHE A 50 8.288 -3.318 -2.219 1.00 0.00 C ATOM 726 CD1 PHE A 50 7.641 -3.541 -3.394 1.00 0.00 C ATOM 727 CD2 PHE A 50 9.228 -2.339 -2.135 1.00 0.00 C ATOM 728 CE1 PHE A 50 7.947 -2.751 -4.534 1.00 0.00 C ATOM 729 CE2 PHE A 50 9.534 -1.549 -3.275 1.00 0.00 C ATOM 730 CZ PHE A 50 8.887 -1.772 -4.450 1.00 0.00 C ATOM 0 H PHE A 50 6.905 -5.804 0.468 1.00 0.00 H new ATOM 0 HA PHE A 50 7.676 -6.027 -2.107 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.921 -3.992 -0.707 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.577 -3.840 -0.157 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.895 -4.319 -3.460 1.00 0.00 H new ATOM 0 HD2 PHE A 50 9.742 -2.162 -1.202 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.433 -2.928 -5.467 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.280 -0.771 -3.209 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.120 -1.171 -5.317 1.00 0.00 H new ATOM 740 N PHE A 51 10.308 -6.090 -0.179 1.00 0.00 N ATOM 741 CA PHE A 51 11.735 -6.361 -0.149 1.00 0.00 C ATOM 742 C PHE A 51 12.011 -7.860 -0.287 1.00 0.00 C ATOM 743 O PHE A 51 12.559 -8.303 -1.295 1.00 0.00 O ATOM 744 CB PHE A 51 12.253 -5.883 1.209 1.00 0.00 C ATOM 745 CG PHE A 51 12.222 -4.363 1.386 1.00 0.00 C ATOM 746 CD1 PHE A 51 12.779 -3.557 0.443 1.00 0.00 C ATOM 747 CD2 PHE A 51 11.639 -3.819 2.487 1.00 0.00 C ATOM 748 CE1 PHE A 51 12.751 -2.147 0.607 1.00 0.00 C ATOM 749 CE2 PHE A 51 11.611 -2.409 2.652 1.00 0.00 C ATOM 750 CZ PHE A 51 12.168 -1.603 1.708 1.00 0.00 C ATOM 0 H PHE A 51 9.868 -6.017 0.738 1.00 0.00 H new ATOM 0 HA PHE A 51 12.228 -5.850 -0.976 1.00 0.00 H new ATOM 0 HB2 PHE A 51 11.656 -6.343 1.997 1.00 0.00 H new ATOM 0 HB3 PHE A 51 13.277 -6.233 1.340 1.00 0.00 H new ATOM 0 HD1 PHE A 51 13.243 -3.990 -0.431 1.00 0.00 H new ATOM 0 HD2 PHE A 51 11.197 -4.459 3.236 1.00 0.00 H new ATOM 0 HE1 PHE A 51 13.193 -1.507 -0.143 1.00 0.00 H new ATOM 0 HE2 PHE A 51 11.148 -1.977 3.527 1.00 0.00 H new ATOM 0 HZ PHE A 51 12.147 -0.531 1.833 1.00 0.00 H new ATOM 760 N LYS A 52 11.618 -8.599 0.740 1.00 0.00 N ATOM 761 CA LYS A 52 11.816 -10.038 0.746 1.00 0.00 C ATOM 762 C LYS A 52 11.538 -10.592 -0.653 1.00 0.00 C ATOM 763 O LYS A 52 12.140 -11.584 -1.063 1.00 0.00 O ATOM 764 CB LYS A 52 10.975 -10.691 1.844 1.00 0.00 C ATOM 765 CG LYS A 52 11.296 -10.086 3.213 1.00 0.00 C ATOM 766 CD LYS A 52 11.034 -11.095 4.333 1.00 0.00 C ATOM 767 CE LYS A 52 9.653 -10.879 4.954 1.00 0.00 C ATOM 768 NZ LYS A 52 9.527 -11.642 6.216 1.00 0.00 N ATOM 0 H LYS A 52 11.163 -8.228 1.574 1.00 0.00 H new ATOM 0 HA LYS A 52 12.852 -10.279 0.985 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.916 -10.559 1.623 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.165 -11.764 1.863 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.339 -9.770 3.240 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.689 -9.195 3.372 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.104 -12.108 3.938 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.801 -10.998 5.101 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.496 -9.818 5.147 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.879 -11.193 4.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.584 -11.484 6.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.656 -12.656 6.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.253 -11.323 6.889 1.00 0.00 H new ATOM 782 N SER A 53 10.626 -9.928 -1.348 1.00 0.00 N ATOM 783 CA SER A 53 10.261 -10.342 -2.692 1.00 0.00 C ATOM 784 C SER A 53 11.483 -10.276 -3.610 1.00 0.00 C ATOM 785 O SER A 53 12.036 -11.307 -3.989 1.00 0.00 O ATOM 786 CB SER A 53 9.132 -9.472 -3.248 1.00 0.00 C ATOM 787 OG SER A 53 7.853 -9.899 -2.788 1.00 0.00 O ATOM 0 H SER A 53 10.129 -9.106 -1.005 1.00 0.00 H new ATOM 0 HA SER A 53 9.903 -11.371 -2.648 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.295 -8.435 -2.954 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.154 -9.502 -4.337 1.00 0.00 H new ATOM 0 HG SER A 53 7.555 -10.668 -3.318 1.00 0.00 H new ATOM 793 N GLY A 54 11.870 -9.053 -3.941 1.00 0.00 N ATOM 794 CA GLY A 54 13.016 -8.839 -4.807 1.00 0.00 C ATOM 795 C GLY A 54 13.021 -7.416 -5.369 1.00 0.00 C ATOM 796 O GLY A 54 13.320 -7.210 -6.545 1.00 0.00 O ATOM 0 H GLY A 54 11.410 -8.200 -3.625 1.00 0.00 H new ATOM 0 HA2 GLY A 54 13.936 -9.017 -4.250 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.996 -9.557 -5.627 1.00 0.00 H new ATOM 800 N ALA A 55 12.686 -6.470 -4.503 1.00 0.00 N ATOM 801 CA ALA A 55 12.648 -5.073 -4.899 1.00 0.00 C ATOM 802 C ALA A 55 13.963 -4.399 -4.501 1.00 0.00 C ATOM 803 O ALA A 55 14.446 -4.584 -3.385 1.00 0.00 O ATOM 804 CB ALA A 55 11.431 -4.396 -4.265 1.00 0.00 C ATOM 0 H ALA A 55 12.439 -6.644 -3.529 1.00 0.00 H new ATOM 0 HA ALA A 55 12.545 -4.983 -5.980 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.402 -3.348 -4.562 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.521 -4.894 -4.601 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.501 -4.464 -3.179 1.00 0.00 H new ATOM 810 N ALA A 56 14.504 -3.631 -5.435 1.00 0.00 N ATOM 811 CA ALA A 56 15.753 -2.928 -5.196 1.00 0.00 C ATOM 812 C ALA A 56 15.452 -1.547 -4.610 1.00 0.00 C ATOM 813 O ALA A 56 14.366 -1.317 -4.081 1.00 0.00 O ATOM 814 CB ALA A 56 16.551 -2.848 -6.499 1.00 0.00 C ATOM 0 H ALA A 56 14.100 -3.480 -6.359 1.00 0.00 H new ATOM 0 HA ALA A 56 16.364 -3.467 -4.472 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.488 -2.321 -6.320 1.00 0.00 H new ATOM 0 HB2 ALA A 56 16.764 -3.855 -6.858 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.970 -2.311 -7.249 1.00 0.00 H new ATOM 820 N SER A 57 16.433 -0.665 -4.725 1.00 0.00 N ATOM 821 CA SER A 57 16.287 0.688 -4.213 1.00 0.00 C ATOM 822 C SER A 57 15.609 1.573 -5.260 1.00 0.00 C ATOM 823 O SER A 57 15.234 2.708 -4.970 1.00 0.00 O ATOM 824 CB SER A 57 17.643 1.277 -3.819 1.00 0.00 C ATOM 825 OG SER A 57 18.114 0.750 -2.581 1.00 0.00 O ATOM 0 H SER A 57 17.332 -0.860 -5.165 1.00 0.00 H new ATOM 0 HA SER A 57 15.664 0.650 -3.319 1.00 0.00 H new ATOM 0 HB2 SER A 57 18.371 1.067 -4.603 1.00 0.00 H new ATOM 0 HB3 SER A 57 17.559 2.361 -3.743 1.00 0.00 H new ATOM 0 HG SER A 57 18.983 1.149 -2.365 1.00 0.00 H new ATOM 831 N VAL A 58 15.471 1.020 -6.456 1.00 0.00 N ATOM 832 CA VAL A 58 14.844 1.746 -7.548 1.00 0.00 C ATOM 833 C VAL A 58 13.350 1.414 -7.583 1.00 0.00 C ATOM 834 O VAL A 58 12.534 2.252 -7.964 1.00 0.00 O ATOM 835 CB VAL A 58 15.557 1.430 -8.864 1.00 0.00 C ATOM 836 CG1 VAL A 58 17.060 1.249 -8.643 1.00 0.00 C ATOM 837 CG2 VAL A 58 14.949 0.197 -9.535 1.00 0.00 C ATOM 0 H VAL A 58 15.782 0.078 -6.693 1.00 0.00 H new ATOM 0 HA VAL A 58 14.935 2.821 -7.394 1.00 0.00 H new ATOM 0 HB VAL A 58 15.416 2.279 -9.533 1.00 0.00 H new ATOM 0 HG11 VAL A 58 17.543 1.025 -9.594 1.00 0.00 H new ATOM 0 HG12 VAL A 58 17.480 2.166 -8.229 1.00 0.00 H new ATOM 0 HG13 VAL A 58 17.229 0.427 -7.948 1.00 0.00 H new ATOM 0 HG21 VAL A 58 15.474 -0.005 -10.468 1.00 0.00 H new ATOM 0 HG22 VAL A 58 15.044 -0.662 -8.871 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.895 0.379 -9.744 1.00 0.00 H new ATOM 847 N ASP A 59 13.038 0.191 -7.182 1.00 0.00 N ATOM 848 CA ASP A 59 11.658 -0.261 -7.162 1.00 0.00 C ATOM 849 C ASP A 59 10.850 0.619 -6.206 1.00 0.00 C ATOM 850 O ASP A 59 9.707 0.970 -6.495 1.00 0.00 O ATOM 851 CB ASP A 59 11.558 -1.707 -6.671 1.00 0.00 C ATOM 852 CG ASP A 59 12.239 -2.742 -7.568 1.00 0.00 C ATOM 853 OD1 ASP A 59 13.370 -2.451 -8.014 1.00 0.00 O ATOM 854 OD2 ASP A 59 11.614 -3.802 -7.788 1.00 0.00 O ATOM 0 H ASP A 59 13.718 -0.501 -6.868 1.00 0.00 H new ATOM 0 HA ASP A 59 11.269 -0.197 -8.178 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.996 -1.768 -5.675 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.505 -1.970 -6.573 1.00 0.00 H new ATOM 859 N VAL A 60 11.477 0.952 -5.087 1.00 0.00 N ATOM 860 CA VAL A 60 10.831 1.785 -4.087 1.00 0.00 C ATOM 861 C VAL A 60 10.183 2.989 -4.774 1.00 0.00 C ATOM 862 O VAL A 60 8.997 3.252 -4.582 1.00 0.00 O ATOM 863 CB VAL A 60 11.840 2.184 -3.008 1.00 0.00 C ATOM 864 CG1 VAL A 60 11.280 3.296 -2.119 1.00 0.00 C ATOM 865 CG2 VAL A 60 12.257 0.972 -2.173 1.00 0.00 C ATOM 0 H VAL A 60 12.425 0.660 -4.851 1.00 0.00 H new ATOM 0 HA VAL A 60 10.038 1.232 -3.583 1.00 0.00 H new ATOM 0 HB VAL A 60 12.729 2.569 -3.506 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.017 3.561 -1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.056 4.171 -2.729 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.368 2.949 -1.633 1.00 0.00 H new ATOM 0 HG21 VAL A 60 12.974 1.283 -1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.379 0.544 -1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.715 0.224 -2.820 1.00 0.00 H new ATOM 875 N VAL A 61 10.989 3.687 -5.559 1.00 0.00 N ATOM 876 CA VAL A 61 10.509 4.856 -6.275 1.00 0.00 C ATOM 877 C VAL A 61 9.510 4.417 -7.348 1.00 0.00 C ATOM 878 O VAL A 61 8.516 5.100 -7.592 1.00 0.00 O ATOM 879 CB VAL A 61 11.691 5.643 -6.846 1.00 0.00 C ATOM 880 CG1 VAL A 61 11.234 6.994 -7.399 1.00 0.00 C ATOM 881 CG2 VAL A 61 12.788 5.823 -5.795 1.00 0.00 C ATOM 0 H VAL A 61 11.972 3.465 -5.715 1.00 0.00 H new ATOM 0 HA VAL A 61 9.984 5.529 -5.597 1.00 0.00 H new ATOM 0 HB VAL A 61 12.109 5.068 -7.672 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.093 7.533 -7.799 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.505 6.834 -8.193 1.00 0.00 H new ATOM 0 HG13 VAL A 61 10.778 7.579 -6.600 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.616 6.385 -6.226 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.387 6.367 -4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 61 13.144 4.846 -5.469 1.00 0.00 H new ATOM 891 N ARG A 62 9.808 3.280 -7.960 1.00 0.00 N ATOM 892 CA ARG A 62 8.948 2.742 -9.000 1.00 0.00 C ATOM 893 C ARG A 62 7.540 2.501 -8.453 1.00 0.00 C ATOM 894 O ARG A 62 6.565 3.029 -8.984 1.00 0.00 O ATOM 895 CB ARG A 62 9.506 1.429 -9.551 1.00 0.00 C ATOM 896 CG ARG A 62 9.261 1.318 -11.057 1.00 0.00 C ATOM 897 CD ARG A 62 9.991 0.108 -11.644 1.00 0.00 C ATOM 898 NE ARG A 62 9.177 -0.501 -12.720 1.00 0.00 N ATOM 899 CZ ARG A 62 8.998 0.048 -13.929 1.00 0.00 C ATOM 900 NH1 ARG A 62 9.573 1.222 -14.223 1.00 0.00 N ATOM 901 NH2 ARG A 62 8.243 -0.576 -14.843 1.00 0.00 N ATOM 0 H ARG A 62 10.633 2.717 -7.755 1.00 0.00 H new ATOM 0 HA ARG A 62 8.907 3.473 -9.807 1.00 0.00 H new ATOM 0 HB2 ARG A 62 10.575 1.370 -9.348 1.00 0.00 H new ATOM 0 HB3 ARG A 62 9.038 0.588 -9.040 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.192 1.231 -11.250 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.601 2.228 -11.552 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.960 0.414 -12.038 1.00 0.00 H new ATOM 0 HD3 ARG A 62 10.183 -0.626 -10.862 1.00 0.00 H new ATOM 0 HE ARG A 62 8.724 -1.395 -12.529 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.147 1.697 -13.527 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.437 1.640 -15.143 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.804 -1.469 -14.618 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.107 -0.158 -15.763 1.00 0.00 H new ATOM 915 N LEU A 63 7.479 1.701 -7.398 1.00 0.00 N ATOM 916 CA LEU A 63 6.206 1.383 -6.773 1.00 0.00 C ATOM 917 C LEU A 63 5.479 2.681 -6.417 1.00 0.00 C ATOM 918 O LEU A 63 4.312 2.858 -6.763 1.00 0.00 O ATOM 919 CB LEU A 63 6.414 0.447 -5.580 1.00 0.00 C ATOM 920 CG LEU A 63 5.397 0.572 -4.444 1.00 0.00 C ATOM 921 CD1 LEU A 63 3.998 0.170 -4.914 1.00 0.00 C ATOM 922 CD2 LEU A 63 5.843 -0.228 -3.219 1.00 0.00 C ATOM 0 H LEU A 63 8.290 1.264 -6.961 1.00 0.00 H new ATOM 0 HA LEU A 63 5.566 0.839 -7.468 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.399 -0.581 -5.943 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.409 0.626 -5.172 1.00 0.00 H new ATOM 0 HG LEU A 63 5.347 1.619 -4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.294 0.268 -4.087 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.689 0.820 -5.733 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.013 -0.864 -5.257 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.103 -0.122 -2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.940 -1.280 -3.487 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.805 0.147 -2.870 1.00 0.00 H new ATOM 934 N VAL A 64 6.199 3.555 -5.729 1.00 0.00 N ATOM 935 CA VAL A 64 5.637 4.832 -5.322 1.00 0.00 C ATOM 936 C VAL A 64 5.210 5.616 -6.565 1.00 0.00 C ATOM 937 O VAL A 64 4.136 6.215 -6.587 1.00 0.00 O ATOM 938 CB VAL A 64 6.639 5.591 -4.451 1.00 0.00 C ATOM 939 CG1 VAL A 64 6.021 6.875 -3.895 1.00 0.00 C ATOM 940 CG2 VAL A 64 7.167 4.704 -3.322 1.00 0.00 C ATOM 0 H VAL A 64 7.166 3.404 -5.443 1.00 0.00 H new ATOM 0 HA VAL A 64 4.747 4.680 -4.712 1.00 0.00 H new ATOM 0 HB VAL A 64 7.484 5.871 -5.080 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.755 7.395 -3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.717 7.519 -4.720 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.150 6.627 -3.289 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.878 5.268 -2.718 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.336 4.379 -2.696 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.664 3.832 -3.747 1.00 0.00 H new ATOM 950 N GLU A 65 6.075 5.587 -7.569 1.00 0.00 N ATOM 951 CA GLU A 65 5.801 6.288 -8.812 1.00 0.00 C ATOM 952 C GLU A 65 4.556 5.707 -9.485 1.00 0.00 C ATOM 953 O GLU A 65 3.715 6.450 -9.990 1.00 0.00 O ATOM 954 CB GLU A 65 7.008 6.232 -9.750 1.00 0.00 C ATOM 955 CG GLU A 65 8.064 7.263 -9.347 1.00 0.00 C ATOM 956 CD GLU A 65 8.073 8.446 -10.317 1.00 0.00 C ATOM 957 OE1 GLU A 65 6.986 9.032 -10.508 1.00 0.00 O ATOM 958 OE2 GLU A 65 9.168 8.739 -10.845 1.00 0.00 O ATOM 0 H GLU A 65 6.965 5.089 -7.547 1.00 0.00 H new ATOM 0 HA GLU A 65 5.610 7.336 -8.581 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.443 5.233 -9.729 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.686 6.418 -10.775 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.863 7.618 -8.336 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.048 6.794 -9.331 1.00 0.00 H new ATOM 965 N GLU A 66 4.477 4.385 -9.472 1.00 0.00 N ATOM 966 CA GLU A 66 3.349 3.696 -10.075 1.00 0.00 C ATOM 967 C GLU A 66 2.050 4.084 -9.366 1.00 0.00 C ATOM 968 O GLU A 66 1.095 4.520 -10.008 1.00 0.00 O ATOM 969 CB GLU A 66 3.555 2.180 -10.051 1.00 0.00 C ATOM 970 CG GLU A 66 4.615 1.755 -11.069 1.00 0.00 C ATOM 971 CD GLU A 66 4.053 0.721 -12.047 1.00 0.00 C ATOM 972 OE1 GLU A 66 3.088 1.077 -12.757 1.00 0.00 O ATOM 973 OE2 GLU A 66 4.601 -0.402 -12.062 1.00 0.00 O ATOM 0 H GLU A 66 5.176 3.772 -9.053 1.00 0.00 H new ATOM 0 HA GLU A 66 3.277 4.003 -11.118 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.858 1.866 -9.052 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.613 1.678 -10.270 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.966 2.628 -11.619 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.477 1.338 -10.549 1.00 0.00 H new ATOM 980 N VAL A 67 2.055 3.911 -8.053 1.00 0.00 N ATOM 981 CA VAL A 67 0.889 4.237 -7.250 1.00 0.00 C ATOM 982 C VAL A 67 0.568 5.725 -7.406 1.00 0.00 C ATOM 983 O VAL A 67 -0.564 6.147 -7.176 1.00 0.00 O ATOM 984 CB VAL A 67 1.123 3.826 -5.795 1.00 0.00 C ATOM 985 CG1 VAL A 67 -0.100 4.142 -4.932 1.00 0.00 C ATOM 986 CG2 VAL A 67 1.495 2.345 -5.697 1.00 0.00 C ATOM 0 H VAL A 67 2.849 3.549 -7.525 1.00 0.00 H new ATOM 0 HA VAL A 67 0.019 3.678 -7.596 1.00 0.00 H new ATOM 0 HB VAL A 67 1.962 4.408 -5.413 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.093 3.840 -3.903 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.301 5.213 -4.964 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.965 3.599 -5.313 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.656 2.079 -4.652 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.686 1.739 -6.106 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.408 2.161 -6.263 1.00 0.00 H new ATOM 996 N LYS A 68 1.585 6.480 -7.796 1.00 0.00 N ATOM 997 CA LYS A 68 1.425 7.911 -7.985 1.00 0.00 C ATOM 998 C LYS A 68 0.446 8.163 -9.133 1.00 0.00 C ATOM 999 O LYS A 68 -0.384 9.068 -9.058 1.00 0.00 O ATOM 1000 CB LYS A 68 2.787 8.581 -8.180 1.00 0.00 C ATOM 1001 CG LYS A 68 3.131 9.482 -6.992 1.00 0.00 C ATOM 1002 CD LYS A 68 4.529 9.170 -6.454 1.00 0.00 C ATOM 1003 CE LYS A 68 5.233 10.445 -5.986 1.00 0.00 C ATOM 1004 NZ LYS A 68 5.543 11.319 -7.139 1.00 0.00 N ATOM 0 H LYS A 68 2.523 6.127 -7.986 1.00 0.00 H new ATOM 0 HA LYS A 68 0.996 8.368 -7.093 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.557 7.819 -8.298 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.778 9.170 -9.097 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.080 10.527 -7.297 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.394 9.344 -6.201 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.455 8.466 -5.625 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.122 8.687 -7.231 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.599 10.979 -5.278 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.152 10.188 -5.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.371 11.907 -6.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.749 10.733 -7.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.727 11.932 -7.340 1.00 0.00 H new ATOM 1018 N GLU A 69 0.575 7.347 -10.169 1.00 0.00 N ATOM 1019 CA GLU A 69 -0.288 7.471 -11.331 1.00 0.00 C ATOM 1020 C GLU A 69 -1.691 6.951 -11.007 1.00 0.00 C ATOM 1021 O GLU A 69 -2.653 7.278 -11.701 1.00 0.00 O ATOM 1022 CB GLU A 69 0.304 6.736 -12.535 1.00 0.00 C ATOM 1023 CG GLU A 69 1.779 7.094 -12.724 1.00 0.00 C ATOM 1024 CD GLU A 69 2.004 7.800 -14.063 1.00 0.00 C ATOM 1025 OE1 GLU A 69 1.357 8.850 -14.267 1.00 0.00 O ATOM 1026 OE2 GLU A 69 2.819 7.274 -14.852 1.00 0.00 O ATOM 0 H GLU A 69 1.264 6.597 -10.228 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.363 8.526 -11.593 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.202 5.660 -12.395 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.255 6.995 -13.434 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.108 7.739 -11.909 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.385 6.189 -12.679 1.00 0.00 H new ATOM 1033 N LEU A 70 -1.763 6.151 -9.954 1.00 0.00 N ATOM 1034 CA LEU A 70 -3.031 5.584 -9.530 1.00 0.00 C ATOM 1035 C LEU A 70 -3.914 6.692 -8.953 1.00 0.00 C ATOM 1036 O LEU A 70 -5.080 6.818 -9.323 1.00 0.00 O ATOM 1037 CB LEU A 70 -2.802 4.417 -8.567 1.00 0.00 C ATOM 1038 CG LEU A 70 -2.537 3.056 -9.214 1.00 0.00 C ATOM 1039 CD1 LEU A 70 -2.379 1.966 -8.152 1.00 0.00 C ATOM 1040 CD2 LEU A 70 -3.626 2.711 -10.232 1.00 0.00 C ATOM 0 H LEU A 70 -0.963 5.882 -9.381 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.563 5.164 -10.383 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.956 4.663 -7.925 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.676 4.327 -7.922 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.595 3.114 -9.759 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.192 1.009 -8.638 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.541 2.212 -7.500 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.292 1.900 -7.560 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.413 1.739 -10.677 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.594 2.677 -9.732 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.648 3.471 -11.013 1.00 0.00 H new ATOM 1052 N CYS A 71 -3.323 7.468 -8.056 1.00 0.00 N ATOM 1053 CA CYS A 71 -4.041 8.562 -7.425 1.00 0.00 C ATOM 1054 C CYS A 71 -3.658 9.862 -8.135 1.00 0.00 C ATOM 1055 O CYS A 71 -4.145 10.934 -7.780 1.00 0.00 O ATOM 1056 CB CYS A 71 -3.762 8.630 -5.922 1.00 0.00 C ATOM 1057 SG CYS A 71 -5.261 9.182 -5.030 1.00 0.00 S ATOM 0 H CYS A 71 -2.355 7.361 -7.751 1.00 0.00 H new ATOM 0 HA CYS A 71 -5.114 8.399 -7.522 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -3.452 7.651 -5.557 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.939 9.318 -5.727 1.00 0.00 H new ATOM 0 HG CYS A 71 -5.738 10.248 -5.601 1.00 0.00 H new ATOM 1063 N ASP A 72 -2.789 9.723 -9.126 1.00 0.00 N ATOM 1064 CA ASP A 72 -2.335 10.873 -9.889 1.00 0.00 C ATOM 1065 C ASP A 72 -1.598 11.839 -8.959 1.00 0.00 C ATOM 1066 O ASP A 72 -2.170 12.831 -8.509 1.00 0.00 O ATOM 1067 CB ASP A 72 -3.516 11.623 -10.510 1.00 0.00 C ATOM 1068 CG ASP A 72 -3.150 12.923 -11.230 1.00 0.00 C ATOM 1069 OD1 ASP A 72 -2.805 12.830 -12.428 1.00 0.00 O ATOM 1070 OD2 ASP A 72 -3.223 13.979 -10.566 1.00 0.00 O ATOM 0 H ASP A 72 -2.388 8.832 -9.418 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.679 10.514 -10.682 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.015 10.961 -11.218 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.236 11.851 -9.724 1.00 0.00 H new ATOM 1075 N GLY A 73 -0.340 11.515 -8.699 1.00 0.00 N ATOM 1076 CA GLY A 73 0.481 12.342 -7.830 1.00 0.00 C ATOM 1077 C GLY A 73 0.230 12.008 -6.358 1.00 0.00 C ATOM 1078 O GLY A 73 0.198 12.900 -5.512 1.00 0.00 O ATOM 0 H GLY A 73 0.131 10.692 -9.074 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.534 12.191 -8.067 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.262 13.394 -8.010 1.00 0.00 H new ATOM 1082 N LEU A 74 0.060 10.720 -6.098 1.00 0.00 N ATOM 1083 CA LEU A 74 -0.186 10.257 -4.742 1.00 0.00 C ATOM 1084 C LEU A 74 0.939 10.746 -3.828 1.00 0.00 C ATOM 1085 O LEU A 74 2.116 10.566 -4.137 1.00 0.00 O ATOM 1086 CB LEU A 74 -0.380 8.739 -4.722 1.00 0.00 C ATOM 1087 CG LEU A 74 -0.552 8.104 -3.340 1.00 0.00 C ATOM 1088 CD1 LEU A 74 -1.843 8.584 -2.673 1.00 0.00 C ATOM 1089 CD2 LEU A 74 -0.485 6.578 -3.426 1.00 0.00 C ATOM 0 H LEU A 74 0.088 9.983 -6.802 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.114 10.679 -4.357 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.256 8.496 -5.323 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.479 8.276 -5.209 1.00 0.00 H new ATOM 0 HG LEU A 74 0.276 8.428 -2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.941 8.118 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.812 9.668 -2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.697 8.309 -3.292 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.610 6.152 -2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.279 6.215 -4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.482 6.278 -3.830 1.00 0.00 H new ATOM 1101 N GLU A 75 0.537 11.354 -2.722 1.00 0.00 N ATOM 1102 CA GLU A 75 1.497 11.870 -1.761 1.00 0.00 C ATOM 1103 C GLU A 75 2.214 10.717 -1.056 1.00 0.00 C ATOM 1104 O GLU A 75 2.085 10.550 0.156 1.00 0.00 O ATOM 1105 CB GLU A 75 0.817 12.794 -0.749 1.00 0.00 C ATOM 1106 CG GLU A 75 0.613 14.193 -1.335 1.00 0.00 C ATOM 1107 CD GLU A 75 -0.270 15.046 -0.421 1.00 0.00 C ATOM 1108 OE1 GLU A 75 0.000 15.035 0.800 1.00 0.00 O ATOM 1109 OE2 GLU A 75 -1.194 15.689 -0.964 1.00 0.00 O ATOM 0 H GLU A 75 -0.440 11.501 -2.470 1.00 0.00 H new ATOM 0 HA GLU A 75 2.240 12.459 -2.299 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.146 12.374 -0.457 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.423 12.859 0.154 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.579 14.679 -1.470 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.154 14.115 -2.321 1.00 0.00 H new ATOM 1116 N LEU A 76 2.955 9.952 -1.844 1.00 0.00 N ATOM 1117 CA LEU A 76 3.692 8.820 -1.310 1.00 0.00 C ATOM 1118 C LEU A 76 5.191 9.050 -1.517 1.00 0.00 C ATOM 1119 O LEU A 76 5.602 9.610 -2.532 1.00 0.00 O ATOM 1120 CB LEU A 76 3.181 7.512 -1.919 1.00 0.00 C ATOM 1121 CG LEU A 76 3.713 6.225 -1.286 1.00 0.00 C ATOM 1122 CD1 LEU A 76 2.879 5.830 -0.065 1.00 0.00 C ATOM 1123 CD2 LEU A 76 3.789 5.098 -2.317 1.00 0.00 C ATOM 0 H LEU A 76 3.061 10.094 -2.849 1.00 0.00 H new ATOM 0 HA LEU A 76 3.527 8.731 -0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.093 7.504 -1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.435 7.504 -2.979 1.00 0.00 H new ATOM 0 HG LEU A 76 4.729 6.410 -0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.278 4.912 0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.920 6.627 0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.844 5.669 -0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.170 4.195 -1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.794 4.905 -2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.457 5.391 -3.127 1.00 0.00 H new ATOM 1135 N GLU A 77 5.966 8.606 -0.538 1.00 0.00 N ATOM 1136 CA GLU A 77 7.409 8.756 -0.600 1.00 0.00 C ATOM 1137 C GLU A 77 8.085 7.384 -0.639 1.00 0.00 C ATOM 1138 O GLU A 77 7.437 6.363 -0.413 1.00 0.00 O ATOM 1139 CB GLU A 77 7.925 9.588 0.576 1.00 0.00 C ATOM 1140 CG GLU A 77 6.946 9.541 1.751 1.00 0.00 C ATOM 1141 CD GLU A 77 7.405 10.461 2.884 1.00 0.00 C ATOM 1142 OE1 GLU A 77 7.533 11.675 2.613 1.00 0.00 O ATOM 1143 OE2 GLU A 77 7.618 9.930 3.996 1.00 0.00 O ATOM 0 H GLU A 77 5.621 8.142 0.302 1.00 0.00 H new ATOM 0 HA GLU A 77 7.660 9.289 -1.517 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.898 9.212 0.893 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.070 10.621 0.260 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.953 9.840 1.414 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.863 8.518 2.119 1.00 0.00 H new ATOM 1150 N ASN A 78 9.378 7.404 -0.927 1.00 0.00 N ATOM 1151 CA ASN A 78 10.148 6.174 -0.999 1.00 0.00 C ATOM 1152 C ASN A 78 10.152 5.499 0.374 1.00 0.00 C ATOM 1153 O ASN A 78 10.113 4.273 0.467 1.00 0.00 O ATOM 1154 CB ASN A 78 11.600 6.455 -1.391 1.00 0.00 C ATOM 1155 CG ASN A 78 11.673 7.487 -2.519 1.00 0.00 C ATOM 1156 OD1 ASN A 78 10.762 7.641 -3.315 1.00 0.00 O ATOM 1157 ND2 ASN A 78 12.806 8.183 -2.542 1.00 0.00 N ATOM 0 H ASN A 78 9.912 8.253 -1.113 1.00 0.00 H new ATOM 0 HA ASN A 78 9.689 5.533 -1.751 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.151 6.819 -0.524 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.081 5.529 -1.708 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.952 8.896 -3.256 1.00 0.00 H new ATOM 0 HD22 ASN A 78 13.529 8.004 -1.845 1.00 0.00 H new ATOM 1164 N GLU A 79 10.198 6.329 1.406 1.00 0.00 N ATOM 1165 CA GLU A 79 10.207 5.828 2.770 1.00 0.00 C ATOM 1166 C GLU A 79 8.947 5.002 3.040 1.00 0.00 C ATOM 1167 O GLU A 79 9.029 3.892 3.563 1.00 0.00 O ATOM 1168 CB GLU A 79 10.338 6.974 3.774 1.00 0.00 C ATOM 1169 CG GLU A 79 9.744 6.586 5.130 1.00 0.00 C ATOM 1170 CD GLU A 79 10.555 7.190 6.278 1.00 0.00 C ATOM 1171 OE1 GLU A 79 11.590 6.580 6.625 1.00 0.00 O ATOM 1172 OE2 GLU A 79 10.123 8.249 6.782 1.00 0.00 O ATOM 0 H GLU A 79 10.229 7.345 1.325 1.00 0.00 H new ATOM 0 HA GLU A 79 11.075 5.181 2.893 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.389 7.238 3.895 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.830 7.858 3.390 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.711 6.929 5.190 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.725 5.500 5.225 1.00 0.00 H new ATOM 1179 N ASP A 80 7.812 5.577 2.672 1.00 0.00 N ATOM 1180 CA ASP A 80 6.537 4.908 2.868 1.00 0.00 C ATOM 1181 C ASP A 80 6.697 3.416 2.570 1.00 0.00 C ATOM 1182 O ASP A 80 6.049 2.581 3.199 1.00 0.00 O ATOM 1183 CB ASP A 80 5.471 5.467 1.924 1.00 0.00 C ATOM 1184 CG ASP A 80 4.895 6.825 2.329 1.00 0.00 C ATOM 1185 OD1 ASP A 80 4.654 7.000 3.543 1.00 0.00 O ATOM 1186 OD2 ASP A 80 4.710 7.659 1.416 1.00 0.00 O ATOM 0 H ASP A 80 7.748 6.498 2.239 1.00 0.00 H new ATOM 0 HA ASP A 80 6.226 5.071 3.900 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.901 5.555 0.926 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.654 4.748 1.857 1.00 0.00 H new ATOM 1191 N VAL A 81 7.564 3.127 1.612 1.00 0.00 N ATOM 1192 CA VAL A 81 7.818 1.750 1.223 1.00 0.00 C ATOM 1193 C VAL A 81 8.639 1.059 2.314 1.00 0.00 C ATOM 1194 O VAL A 81 8.251 0.004 2.813 1.00 0.00 O ATOM 1195 CB VAL A 81 8.494 1.710 -0.149 1.00 0.00 C ATOM 1196 CG1 VAL A 81 8.637 0.270 -0.648 1.00 0.00 C ATOM 1197 CG2 VAL A 81 7.733 2.568 -1.161 1.00 0.00 C ATOM 0 H VAL A 81 8.100 3.823 1.093 1.00 0.00 H new ATOM 0 HA VAL A 81 6.881 1.202 1.125 1.00 0.00 H new ATOM 0 HB VAL A 81 9.495 2.128 -0.041 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.120 0.270 -1.625 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.242 -0.301 0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.650 -0.186 -0.731 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.235 2.522 -2.127 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.714 2.193 -1.263 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.707 3.601 -0.815 1.00 0.00 H new ATOM 1207 N TYR A 82 9.757 1.683 2.653 1.00 0.00 N ATOM 1208 CA TYR A 82 10.636 1.142 3.676 1.00 0.00 C ATOM 1209 C TYR A 82 9.881 0.929 4.990 1.00 0.00 C ATOM 1210 O TYR A 82 10.348 0.204 5.867 1.00 0.00 O ATOM 1211 CB TYR A 82 11.728 2.191 3.892 1.00 0.00 C ATOM 1212 CG TYR A 82 12.857 2.137 2.861 1.00 0.00 C ATOM 1213 CD1 TYR A 82 12.711 2.773 1.645 1.00 0.00 C ATOM 1214 CD2 TYR A 82 14.020 1.451 3.146 1.00 0.00 C ATOM 1215 CE1 TYR A 82 13.774 2.722 0.674 1.00 0.00 C ATOM 1216 CE2 TYR A 82 15.082 1.400 2.175 1.00 0.00 C ATOM 1217 CZ TYR A 82 14.907 2.038 0.987 1.00 0.00 C ATOM 1218 OH TYR A 82 15.910 1.990 0.070 1.00 0.00 O ATOM 0 H TYR A 82 10.075 2.559 2.237 1.00 0.00 H new ATOM 0 HA TYR A 82 11.039 0.178 3.366 1.00 0.00 H new ATOM 0 HB2 TYR A 82 11.275 3.182 3.868 1.00 0.00 H new ATOM 0 HB3 TYR A 82 12.152 2.059 4.887 1.00 0.00 H new ATOM 0 HD1 TYR A 82 11.800 3.309 1.421 1.00 0.00 H new ATOM 0 HD2 TYR A 82 14.134 0.952 4.097 1.00 0.00 H new ATOM 0 HE1 TYR A 82 13.673 3.216 -0.281 1.00 0.00 H new ATOM 0 HE2 TYR A 82 15.997 0.867 2.386 1.00 0.00 H new ATOM 0 HH TYR A 82 16.658 1.468 0.430 1.00 0.00 H new ATOM 1228 N MET A 83 8.728 1.574 5.084 1.00 0.00 N ATOM 1229 CA MET A 83 7.904 1.465 6.276 1.00 0.00 C ATOM 1230 C MET A 83 6.907 0.311 6.150 1.00 0.00 C ATOM 1231 O MET A 83 6.763 -0.493 7.069 1.00 0.00 O ATOM 1232 CB MET A 83 7.145 2.775 6.494 1.00 0.00 C ATOM 1233 CG MET A 83 7.409 3.336 7.893 1.00 0.00 C ATOM 1234 SD MET A 83 7.077 2.087 9.124 1.00 0.00 S ATOM 1235 CE MET A 83 8.332 2.494 10.326 1.00 0.00 C ATOM 0 H MET A 83 8.344 2.174 4.354 1.00 0.00 H new ATOM 0 HA MET A 83 8.555 1.266 7.128 1.00 0.00 H new ATOM 0 HB2 MET A 83 7.448 3.504 5.743 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.076 2.606 6.362 1.00 0.00 H new ATOM 0 HG2 MET A 83 8.444 3.669 7.971 1.00 0.00 H new ATOM 0 HG3 MET A 83 6.779 4.208 8.069 1.00 0.00 H new ATOM 0 HE1 MET A 83 8.266 1.805 11.168 1.00 0.00 H new ATOM 0 HE2 MET A 83 9.317 2.411 9.866 1.00 0.00 H new ATOM 0 HE3 MET A 83 8.181 3.514 10.679 1.00 0.00 H new ATOM 1245 N ALA A 84 6.244 0.267 5.003 1.00 0.00 N ATOM 1246 CA ALA A 84 5.265 -0.775 4.745 1.00 0.00 C ATOM 1247 C ALA A 84 5.790 -1.701 3.646 1.00 0.00 C ATOM 1248 O ALA A 84 5.222 -1.761 2.556 1.00 0.00 O ATOM 1249 CB ALA A 84 3.924 -0.135 4.378 1.00 0.00 C ATOM 0 H ALA A 84 6.366 0.936 4.243 1.00 0.00 H new ATOM 0 HA ALA A 84 5.104 -1.381 5.637 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.189 -0.916 4.184 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.581 0.489 5.203 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.046 0.478 3.485 1.00 0.00 H new ATOM 1255 N SER A 85 6.867 -2.400 3.970 1.00 0.00 N ATOM 1256 CA SER A 85 7.475 -3.321 3.024 1.00 0.00 C ATOM 1257 C SER A 85 6.427 -4.310 2.511 1.00 0.00 C ATOM 1258 O SER A 85 6.403 -4.634 1.324 1.00 0.00 O ATOM 1259 CB SER A 85 8.647 -4.071 3.661 1.00 0.00 C ATOM 1260 OG SER A 85 8.213 -4.993 4.657 1.00 0.00 O ATOM 0 H SER A 85 7.335 -2.348 4.875 1.00 0.00 H new ATOM 0 HA SER A 85 7.862 -2.744 2.184 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.198 -4.606 2.888 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.337 -3.354 4.106 1.00 0.00 H new ATOM 0 HG SER A 85 8.936 -5.624 4.855 1.00 0.00 H new ATOM 1266 N THR A 86 5.587 -4.763 3.429 1.00 0.00 N ATOM 1267 CA THR A 86 4.539 -5.709 3.084 1.00 0.00 C ATOM 1268 C THR A 86 3.362 -4.986 2.428 1.00 0.00 C ATOM 1269 O THR A 86 2.946 -3.924 2.889 1.00 0.00 O ATOM 1270 CB THR A 86 4.153 -6.471 4.353 1.00 0.00 C ATOM 1271 OG1 THR A 86 4.129 -5.469 5.366 1.00 0.00 O ATOM 1272 CG2 THR A 86 5.247 -7.437 4.812 1.00 0.00 C ATOM 0 H THR A 86 5.610 -4.493 4.412 1.00 0.00 H new ATOM 0 HA THR A 86 4.887 -6.432 2.346 1.00 0.00 H new ATOM 0 HB THR A 86 3.230 -7.024 4.177 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.885 -5.876 6.223 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.922 -7.952 5.716 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.439 -8.168 4.027 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.160 -6.880 5.020 1.00 0.00 H new ATOM 1280 N PHE A 87 2.858 -5.589 1.361 1.00 0.00 N ATOM 1281 CA PHE A 87 1.737 -5.016 0.637 1.00 0.00 C ATOM 1282 C PHE A 87 0.563 -4.734 1.577 1.00 0.00 C ATOM 1283 O PHE A 87 -0.026 -3.655 1.535 1.00 0.00 O ATOM 1284 CB PHE A 87 1.303 -6.048 -0.406 1.00 0.00 C ATOM 1285 CG PHE A 87 0.049 -5.653 -1.189 1.00 0.00 C ATOM 1286 CD1 PHE A 87 -1.180 -6.006 -0.727 1.00 0.00 C ATOM 1287 CD2 PHE A 87 0.164 -4.947 -2.346 1.00 0.00 C ATOM 1288 CE1 PHE A 87 -2.344 -5.640 -1.453 1.00 0.00 C ATOM 1289 CE2 PHE A 87 -1.000 -4.581 -3.072 1.00 0.00 C ATOM 1290 CZ PHE A 87 -2.229 -4.935 -2.610 1.00 0.00 C ATOM 0 H PHE A 87 3.206 -6.469 0.981 1.00 0.00 H new ATOM 0 HA PHE A 87 2.034 -4.073 0.178 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.122 -6.207 -1.108 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.122 -7.000 0.093 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.271 -6.565 0.193 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.140 -4.665 -2.712 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -3.320 -5.921 -1.086 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.909 -4.021 -3.991 1.00 0.00 H new ATOM 0 HZ PHE A 87 -3.114 -4.656 -3.162 1.00 0.00 H new ATOM 1300 N GLY A 88 0.257 -5.724 2.402 1.00 0.00 N ATOM 1301 CA GLY A 88 -0.836 -5.597 3.351 1.00 0.00 C ATOM 1302 C GLY A 88 -0.723 -4.294 4.146 1.00 0.00 C ATOM 1303 O GLY A 88 -1.644 -3.479 4.143 1.00 0.00 O ATOM 0 H GLY A 88 0.747 -6.618 2.433 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.788 -5.622 2.820 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.829 -6.446 4.035 1.00 0.00 H new ATOM 1307 N ASP A 89 0.414 -4.139 4.808 1.00 0.00 N ATOM 1308 CA ASP A 89 0.659 -2.950 5.606 1.00 0.00 C ATOM 1309 C ASP A 89 0.624 -1.717 4.700 1.00 0.00 C ATOM 1310 O ASP A 89 0.007 -0.709 5.041 1.00 0.00 O ATOM 1311 CB ASP A 89 2.035 -3.007 6.272 1.00 0.00 C ATOM 1312 CG ASP A 89 2.106 -2.377 7.664 1.00 0.00 C ATOM 1313 OD1 ASP A 89 1.337 -1.418 7.893 1.00 0.00 O ATOM 1314 OD2 ASP A 89 2.927 -2.868 8.469 1.00 0.00 O ATOM 0 H ASP A 89 1.176 -4.817 4.808 1.00 0.00 H new ATOM 0 HA ASP A 89 -0.112 -2.895 6.375 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.343 -4.050 6.345 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.756 -2.506 5.626 1.00 0.00 H new ATOM 1319 N PHE A 90 1.293 -1.839 3.563 1.00 0.00 N ATOM 1320 CA PHE A 90 1.346 -0.747 2.605 1.00 0.00 C ATOM 1321 C PHE A 90 -0.061 -0.269 2.241 1.00 0.00 C ATOM 1322 O PHE A 90 -0.366 0.917 2.356 1.00 0.00 O ATOM 1323 CB PHE A 90 2.030 -1.288 1.348 1.00 0.00 C ATOM 1324 CG PHE A 90 2.231 -0.242 0.250 1.00 0.00 C ATOM 1325 CD1 PHE A 90 3.335 0.553 0.262 1.00 0.00 C ATOM 1326 CD2 PHE A 90 1.306 -0.105 -0.738 1.00 0.00 C ATOM 1327 CE1 PHE A 90 3.522 1.524 -0.757 1.00 0.00 C ATOM 1328 CE2 PHE A 90 1.493 0.866 -1.757 1.00 0.00 C ATOM 1329 CZ PHE A 90 2.597 1.660 -1.745 1.00 0.00 C ATOM 0 H PHE A 90 1.803 -2.677 3.283 1.00 0.00 H new ATOM 0 HA PHE A 90 1.888 0.097 3.032 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.000 -1.701 1.624 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.436 -2.110 0.948 1.00 0.00 H new ATOM 0 HD1 PHE A 90 4.069 0.446 1.047 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.429 -0.735 -0.747 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.399 2.155 -0.748 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.759 0.974 -2.541 1.00 0.00 H new ATOM 0 HZ PHE A 90 2.739 2.399 -2.520 1.00 0.00 H new ATOM 1339 N ILE A 91 -0.880 -1.216 1.808 1.00 0.00 N ATOM 1340 CA ILE A 91 -2.247 -0.906 1.425 1.00 0.00 C ATOM 1341 C ILE A 91 -2.855 0.049 2.454 1.00 0.00 C ATOM 1342 O ILE A 91 -3.266 1.157 2.110 1.00 0.00 O ATOM 1343 CB ILE A 91 -3.053 -2.192 1.229 1.00 0.00 C ATOM 1344 CG1 ILE A 91 -2.601 -2.935 -0.031 1.00 0.00 C ATOM 1345 CG2 ILE A 91 -4.555 -1.901 1.215 1.00 0.00 C ATOM 1346 CD1 ILE A 91 -2.906 -2.118 -1.288 1.00 0.00 C ATOM 0 H ILE A 91 -0.623 -2.199 1.714 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.267 -0.395 0.463 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.860 -2.849 2.077 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.531 -3.137 0.025 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.105 -3.900 -0.089 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -5.105 -2.832 1.074 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.847 -1.447 2.162 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.785 -1.217 0.399 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.575 -2.668 -2.169 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.979 -1.939 -1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.381 -1.164 -1.238 1.00 0.00 H new ATOM 1358 N GLN A 92 -2.893 -0.414 3.694 1.00 0.00 N ATOM 1359 CA GLN A 92 -3.445 0.386 4.775 1.00 0.00 C ATOM 1360 C GLN A 92 -2.926 1.823 4.690 1.00 0.00 C ATOM 1361 O GLN A 92 -3.705 2.773 4.747 1.00 0.00 O ATOM 1362 CB GLN A 92 -3.122 -0.234 6.136 1.00 0.00 C ATOM 1363 CG GLN A 92 -4.164 -1.286 6.520 1.00 0.00 C ATOM 1364 CD GLN A 92 -4.622 -2.078 5.294 1.00 0.00 C ATOM 1365 OE1 GLN A 92 -3.828 -2.587 4.520 1.00 0.00 O ATOM 1366 NE2 GLN A 92 -5.943 -2.153 5.160 1.00 0.00 N ATOM 0 H GLN A 92 -2.551 -1.333 3.975 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.530 0.405 4.670 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -2.133 -0.691 6.106 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -3.090 0.546 6.897 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -3.743 -1.966 7.260 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -5.022 -0.800 6.985 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -6.551 -1.704 5.844 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -6.348 -2.660 4.373 1.00 0.00 H new ATOM 1375 N LEU A 93 -1.612 1.937 4.555 1.00 0.00 N ATOM 1376 CA LEU A 93 -0.980 3.242 4.462 1.00 0.00 C ATOM 1377 C LEU A 93 -1.498 3.967 3.218 1.00 0.00 C ATOM 1378 O LEU A 93 -1.851 5.143 3.283 1.00 0.00 O ATOM 1379 CB LEU A 93 0.543 3.103 4.503 1.00 0.00 C ATOM 1380 CG LEU A 93 1.332 4.114 3.668 1.00 0.00 C ATOM 1381 CD1 LEU A 93 2.565 4.608 4.426 1.00 0.00 C ATOM 1382 CD2 LEU A 93 1.694 3.530 2.301 1.00 0.00 C ATOM 0 H LEU A 93 -0.968 1.147 4.508 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.245 3.856 5.323 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.868 3.186 5.540 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.806 2.100 4.166 1.00 0.00 H new ATOM 0 HG LEU A 93 0.696 4.981 3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.108 5.325 3.810 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.254 5.089 5.353 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.214 3.763 4.655 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.254 4.268 1.727 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.304 2.637 2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.782 3.269 1.764 1.00 0.00 H new ATOM 1394 N LEU A 94 -1.526 3.234 2.114 1.00 0.00 N ATOM 1395 CA LEU A 94 -1.995 3.793 0.857 1.00 0.00 C ATOM 1396 C LEU A 94 -3.442 4.260 1.020 1.00 0.00 C ATOM 1397 O LEU A 94 -3.741 5.440 0.845 1.00 0.00 O ATOM 1398 CB LEU A 94 -1.796 2.791 -0.282 1.00 0.00 C ATOM 1399 CG LEU A 94 -2.742 2.936 -1.476 1.00 0.00 C ATOM 1400 CD1 LEU A 94 -2.279 4.057 -2.408 1.00 0.00 C ATOM 1401 CD2 LEU A 94 -2.902 1.606 -2.214 1.00 0.00 C ATOM 0 H LEU A 94 -1.232 2.259 2.064 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.406 4.669 0.586 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.771 2.880 -0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.905 1.785 0.123 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.726 3.215 -1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.968 4.139 -3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.259 5.000 -1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.279 3.832 -2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.579 1.737 -3.058 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.930 1.272 -2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.311 0.859 -1.533 1.00 0.00 H new ATOM 1413 N VAL A 95 -4.303 3.310 1.353 1.00 0.00 N ATOM 1414 CA VAL A 95 -5.713 3.609 1.542 1.00 0.00 C ATOM 1415 C VAL A 95 -5.852 4.891 2.365 1.00 0.00 C ATOM 1416 O VAL A 95 -6.748 5.697 2.119 1.00 0.00 O ATOM 1417 CB VAL A 95 -6.422 2.411 2.177 1.00 0.00 C ATOM 1418 CG1 VAL A 95 -7.877 2.748 2.507 1.00 0.00 C ATOM 1419 CG2 VAL A 95 -6.335 1.180 1.272 1.00 0.00 C ATOM 0 H VAL A 95 -4.052 2.332 1.497 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.198 3.785 0.582 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.913 2.176 3.111 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.358 1.880 2.957 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -7.907 3.583 3.207 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.404 3.021 1.593 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.847 0.343 1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.808 1.398 0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.289 0.921 1.110 1.00 0.00 H new ATOM 1429 N ARG A 96 -4.951 5.041 3.325 1.00 0.00 N ATOM 1430 CA ARG A 96 -4.962 6.211 4.186 1.00 0.00 C ATOM 1431 C ARG A 96 -4.692 7.475 3.367 1.00 0.00 C ATOM 1432 O ARG A 96 -5.424 8.458 3.476 1.00 0.00 O ATOM 1433 CB ARG A 96 -3.909 6.093 5.290 1.00 0.00 C ATOM 1434 CG ARG A 96 -4.568 5.981 6.666 1.00 0.00 C ATOM 1435 CD ARG A 96 -3.529 6.106 7.783 1.00 0.00 C ATOM 1436 NE ARG A 96 -4.197 6.447 9.059 1.00 0.00 N ATOM 1437 CZ ARG A 96 -4.894 5.574 9.799 1.00 0.00 C ATOM 1438 NH1 ARG A 96 -5.019 4.303 9.394 1.00 0.00 N ATOM 1439 NH2 ARG A 96 -5.466 5.972 10.943 1.00 0.00 N ATOM 0 H ARG A 96 -4.208 4.371 3.525 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.948 6.275 4.646 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.284 5.218 5.110 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -3.253 6.963 5.267 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.322 6.760 6.777 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.084 5.024 6.749 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -2.982 5.169 7.888 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -2.799 6.875 7.528 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.122 7.407 9.396 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -4.584 4.000 8.523 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.549 3.638 9.957 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.371 6.940 11.251 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.997 5.307 11.506 1.00 0.00 H new ATOM 1453 N LYS A 97 -3.640 7.408 2.564 1.00 0.00 N ATOM 1454 CA LYS A 97 -3.265 8.535 1.727 1.00 0.00 C ATOM 1455 C LYS A 97 -4.370 8.792 0.700 1.00 0.00 C ATOM 1456 O LYS A 97 -4.575 9.928 0.275 1.00 0.00 O ATOM 1457 CB LYS A 97 -1.887 8.303 1.102 1.00 0.00 C ATOM 1458 CG LYS A 97 -0.804 8.219 2.180 1.00 0.00 C ATOM 1459 CD LYS A 97 0.176 7.082 1.884 1.00 0.00 C ATOM 1460 CE LYS A 97 1.443 7.215 2.731 1.00 0.00 C ATOM 1461 NZ LYS A 97 1.094 7.465 4.148 1.00 0.00 N ATOM 0 H LYS A 97 -3.036 6.591 2.475 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.170 9.440 2.327 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.898 7.382 0.520 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.656 9.114 0.411 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.264 9.165 2.233 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.267 8.061 3.154 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.302 6.123 2.086 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.439 7.090 0.826 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.038 6.305 2.652 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.057 8.032 2.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 1.904 7.221 4.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.857 8.470 4.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.275 6.880 4.412 1.00 0.00 H new ATOM 1475 N LEU A 98 -5.053 7.719 0.332 1.00 0.00 N ATOM 1476 CA LEU A 98 -6.132 7.814 -0.637 1.00 0.00 C ATOM 1477 C LEU A 98 -7.336 8.498 0.014 1.00 0.00 C ATOM 1478 O LEU A 98 -7.856 9.480 -0.513 1.00 0.00 O ATOM 1479 CB LEU A 98 -6.449 6.437 -1.223 1.00 0.00 C ATOM 1480 CG LEU A 98 -5.290 5.722 -1.920 1.00 0.00 C ATOM 1481 CD1 LEU A 98 -5.801 4.585 -2.807 1.00 0.00 C ATOM 1482 CD2 LEU A 98 -4.424 6.713 -2.701 1.00 0.00 C ATOM 0 H LEU A 98 -4.881 6.779 0.687 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.832 8.432 -1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.814 5.797 -0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.264 6.547 -1.938 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.656 5.274 -1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.957 4.093 -3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.341 3.862 -2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.470 4.989 -3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.608 6.179 -3.187 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.032 7.211 -3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.015 7.456 -2.017 1.00 0.00 H new ATOM 1494 N ARG A 99 -7.745 7.950 1.149 1.00 0.00 N ATOM 1495 CA ARG A 99 -8.879 8.495 1.877 1.00 0.00 C ATOM 1496 C ARG A 99 -8.627 9.962 2.231 1.00 0.00 C ATOM 1497 O ARG A 99 -9.517 10.800 2.094 1.00 0.00 O ATOM 1498 CB ARG A 99 -9.140 7.705 3.160 1.00 0.00 C ATOM 1499 CG ARG A 99 -9.845 6.382 2.856 1.00 0.00 C ATOM 1500 CD ARG A 99 -10.308 5.698 4.144 1.00 0.00 C ATOM 1501 NE ARG A 99 -10.840 4.351 3.839 1.00 0.00 N ATOM 1502 CZ ARG A 99 -11.645 3.659 4.657 1.00 0.00 C ATOM 1503 NH1 ARG A 99 -12.015 4.182 5.834 1.00 0.00 N ATOM 1504 NH2 ARG A 99 -12.080 2.444 4.298 1.00 0.00 N ATOM 0 H ARG A 99 -7.312 7.135 1.582 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.755 8.419 1.233 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.196 7.510 3.669 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.751 8.299 3.839 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.703 6.563 2.208 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.169 5.722 2.313 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -9.476 5.619 4.843 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.076 6.300 4.629 1.00 0.00 H new ATOM 0 HE ARG A 99 -10.578 3.923 2.951 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -11.684 5.107 6.108 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -12.628 3.655 6.456 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -11.799 2.046 3.402 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -12.693 1.917 4.920 1.00 0.00 H new ATOM 1518 N GLY A 100 -7.409 10.228 2.679 1.00 0.00 N ATOM 1519 CA GLY A 100 -7.028 11.580 3.054 1.00 0.00 C ATOM 1520 C GLY A 100 -5.596 11.888 2.614 1.00 0.00 C ATOM 1521 O GLY A 100 -4.640 11.522 3.296 1.00 0.00 O ATOM 0 H GLY A 100 -6.673 9.531 2.791 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.714 12.294 2.599 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -7.114 11.700 4.134 1.00 0.00 H new ATOM 1525 N ASP A 101 -5.492 12.559 1.476 1.00 0.00 N ATOM 1526 CA ASP A 101 -4.192 12.921 0.937 1.00 0.00 C ATOM 1527 C ASP A 101 -3.665 14.154 1.672 1.00 0.00 C ATOM 1528 O ASP A 101 -3.329 15.158 1.046 1.00 0.00 O ATOM 1529 CB ASP A 101 -4.289 13.263 -0.551 1.00 0.00 C ATOM 1530 CG ASP A 101 -3.074 12.861 -1.388 1.00 0.00 C ATOM 1531 OD1 ASP A 101 -2.468 11.822 -1.047 1.00 0.00 O ATOM 1532 OD2 ASP A 101 -2.777 13.602 -2.351 1.00 0.00 O ATOM 0 H ASP A 101 -6.287 12.861 0.913 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.524 12.070 1.069 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.172 12.776 -0.963 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.441 14.338 -0.652 1.00 0.00 H new ATOM 1537 N ASP A 102 -3.608 14.038 2.991 1.00 0.00 N ATOM 1538 CA ASP A 102 -3.127 15.131 3.819 1.00 0.00 C ATOM 1539 C ASP A 102 -1.770 14.754 4.416 1.00 0.00 C ATOM 1540 O ASP A 102 -1.706 14.088 5.448 1.00 0.00 O ATOM 1541 CB ASP A 102 -4.090 15.412 4.974 1.00 0.00 C ATOM 1542 CG ASP A 102 -4.282 14.253 5.953 1.00 0.00 C ATOM 1543 OD1 ASP A 102 -4.600 13.146 5.467 1.00 0.00 O ATOM 1544 OD2 ASP A 102 -4.106 14.500 7.166 1.00 0.00 O ATOM 0 H ASP A 102 -3.887 13.203 3.507 1.00 0.00 H new ATOM 0 HA ASP A 102 -3.047 16.019 3.192 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -3.727 16.278 5.527 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -5.061 15.682 4.560 1.00 0.00 H new ATOM 1549 N GLU A 103 -0.719 15.196 3.742 1.00 0.00 N ATOM 1550 CA GLU A 103 0.633 14.914 4.193 1.00 0.00 C ATOM 1551 C GLU A 103 1.512 16.158 4.049 1.00 0.00 C ATOM 1552 O GLU A 103 1.211 17.046 3.253 1.00 0.00 O ATOM 1553 CB GLU A 103 1.229 13.730 3.429 1.00 0.00 C ATOM 1554 CG GLU A 103 0.455 12.443 3.721 1.00 0.00 C ATOM 1555 CD GLU A 103 1.226 11.548 4.695 1.00 0.00 C ATOM 1556 OE1 GLU A 103 1.105 11.800 5.913 1.00 0.00 O ATOM 1557 OE2 GLU A 103 1.917 10.633 4.199 1.00 0.00 O ATOM 0 H GLU A 103 -0.776 15.748 2.886 1.00 0.00 H new ATOM 0 HA GLU A 103 0.594 14.642 5.248 1.00 0.00 H new ATOM 0 HB2 GLU A 103 1.209 13.936 2.359 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.275 13.601 3.709 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -0.520 12.688 4.141 1.00 0.00 H new ATOM 0 HG3 GLU A 103 0.275 11.904 2.791 1.00 0.00 H new ATOM 1564 N GLU A 104 2.581 16.182 4.831 1.00 0.00 N ATOM 1565 CA GLU A 104 3.505 17.302 4.801 1.00 0.00 C ATOM 1566 C GLU A 104 4.487 17.149 3.637 1.00 0.00 C ATOM 1567 O GLU A 104 5.242 16.180 3.581 1.00 0.00 O ATOM 1568 CB GLU A 104 4.249 17.436 6.132 1.00 0.00 C ATOM 1569 CG GLU A 104 5.196 16.255 6.351 1.00 0.00 C ATOM 1570 CD GLU A 104 5.375 15.966 7.843 1.00 0.00 C ATOM 1571 OE1 GLU A 104 5.774 16.908 8.560 1.00 0.00 O ATOM 1572 OE2 GLU A 104 5.107 14.808 8.232 1.00 0.00 O ATOM 0 H GLU A 104 2.828 15.443 5.490 1.00 0.00 H new ATOM 0 HA GLU A 104 2.932 18.217 4.650 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.815 18.368 6.144 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.531 17.488 6.951 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.802 15.371 5.850 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.164 16.472 5.900 1.00 0.00 H new ATOM 1579 N SER A 105 4.445 18.121 2.738 1.00 0.00 N ATOM 1580 CA SER A 105 5.321 18.106 1.579 1.00 0.00 C ATOM 1581 C SER A 105 6.777 18.257 2.022 1.00 0.00 C ATOM 1582 O SER A 105 7.205 19.346 2.402 1.00 0.00 O ATOM 1583 CB SER A 105 4.949 19.215 0.593 1.00 0.00 C ATOM 1584 OG SER A 105 3.688 18.977 -0.028 1.00 0.00 O ATOM 0 H SER A 105 3.818 18.924 2.789 1.00 0.00 H new ATOM 0 HA SER A 105 5.199 17.149 1.071 1.00 0.00 H new ATOM 0 HB2 SER A 105 4.921 20.171 1.116 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.721 19.293 -0.172 1.00 0.00 H new ATOM 0 HG SER A 105 3.486 19.708 -0.649 1.00 0.00 H new ATOM 1590 N GLY A 106 7.500 17.148 1.959 1.00 0.00 N ATOM 1591 CA GLY A 106 8.899 17.143 2.350 1.00 0.00 C ATOM 1592 C GLY A 106 9.518 15.757 2.155 1.00 0.00 C ATOM 1593 O GLY A 106 9.505 14.934 3.068 1.00 0.00 O ATOM 0 H GLY A 106 7.143 16.247 1.643 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.448 17.877 1.760 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.990 17.442 3.394 1.00 0.00 H new ATOM 1597 N PRO A 107 10.060 15.537 0.927 1.00 0.00 N ATOM 1598 CA PRO A 107 10.682 14.266 0.600 1.00 0.00 C ATOM 1599 C PRO A 107 12.054 14.140 1.266 1.00 0.00 C ATOM 1600 O PRO A 107 12.392 13.087 1.806 1.00 0.00 O ATOM 1601 CB PRO A 107 10.754 14.241 -0.918 1.00 0.00 C ATOM 1602 CG PRO A 107 10.599 15.685 -1.366 1.00 0.00 C ATOM 1603 CD PRO A 107 10.093 16.490 -0.179 1.00 0.00 C ATOM 0 HA PRO A 107 10.115 13.413 0.972 1.00 0.00 H new ATOM 0 HB2 PRO A 107 11.703 13.827 -1.257 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.965 13.615 -1.336 1.00 0.00 H new ATOM 0 HG2 PRO A 107 11.552 16.080 -1.717 1.00 0.00 H new ATOM 0 HG3 PRO A 107 9.900 15.753 -2.199 1.00 0.00 H new ATOM 0 HD2 PRO A 107 10.753 17.329 0.041 1.00 0.00 H new ATOM 0 HD3 PRO A 107 9.104 16.905 -0.374 1.00 0.00 H new ATOM 1611 N SER A 108 12.807 15.228 1.206 1.00 0.00 N ATOM 1612 CA SER A 108 14.135 15.253 1.797 1.00 0.00 C ATOM 1613 C SER A 108 14.770 16.630 1.598 1.00 0.00 C ATOM 1614 O SER A 108 14.629 17.236 0.536 1.00 0.00 O ATOM 1615 CB SER A 108 15.026 14.165 1.194 1.00 0.00 C ATOM 1616 OG SER A 108 15.289 14.395 -0.187 1.00 0.00 O ATOM 0 H SER A 108 12.523 16.099 0.757 1.00 0.00 H new ATOM 0 HA SER A 108 14.039 15.056 2.865 1.00 0.00 H new ATOM 0 HB2 SER A 108 15.968 14.124 1.741 1.00 0.00 H new ATOM 0 HB3 SER A 108 14.545 13.194 1.315 1.00 0.00 H new ATOM 0 HG SER A 108 15.862 13.680 -0.534 1.00 0.00 H new ATOM 1622 N SER A 109 15.457 17.085 2.635 1.00 0.00 N ATOM 1623 CA SER A 109 16.115 18.380 2.588 1.00 0.00 C ATOM 1624 C SER A 109 17.573 18.211 2.154 1.00 0.00 C ATOM 1625 O SER A 109 18.438 17.915 2.976 1.00 0.00 O ATOM 1626 CB SER A 109 16.043 19.085 3.944 1.00 0.00 C ATOM 1627 OG SER A 109 15.670 20.454 3.815 1.00 0.00 O ATOM 0 H SER A 109 15.573 16.580 3.514 1.00 0.00 H new ATOM 0 HA SER A 109 15.595 19.001 1.859 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.323 18.572 4.582 1.00 0.00 H new ATOM 0 HB3 SER A 109 17.012 19.018 4.439 1.00 0.00 H new ATOM 0 HG SER A 109 15.634 20.868 4.702 1.00 0.00 H new ATOM 1633 N GLY A 110 17.799 18.406 0.863 1.00 0.00 N ATOM 1634 CA GLY A 110 19.136 18.279 0.310 1.00 0.00 C ATOM 1635 C GLY A 110 19.255 17.021 -0.554 1.00 0.00 C ATOM 1636 O GLY A 110 18.443 16.800 -1.450 1.00 0.00 O ATOM 0 H GLY A 110 17.078 18.651 0.184 1.00 0.00 H new ATOM 0 HA2 GLY A 110 19.371 19.159 -0.289 1.00 0.00 H new ATOM 0 HA3 GLY A 110 19.866 18.239 1.119 1.00 0.00 H new TER 1640 GLY A 110