USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 771 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 54 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 42 LYS NZ :NH3+ -137:sc= -1.33 (180deg=-3.66!) USER MOD Set 2.2: A 77 TYR OH : rot -45:sc= -0.895 USER MOD Set 3.1: A 30 CYS SG : rot 124:sc= 0.76 USER MOD Set 3.2: A 62 CYS SG : rot 121:sc= -3.08! USER MOD Set 3.3: A 79 CYS SG : rot 109:sc= 1.52 USER MOD Set 4.1: A 9 SER OG : rot 109:sc= 0.896 USER MOD Set 4.2: A 81 CYS SG : rot -41:sc= 0.182 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 -54:sc= 0.0892 USER MOD Single : A 10 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.764) USER MOD Single : A 17 ASN : amide:sc= -0.01 X(o=-0.01,f=-0.32) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 150:sc= -0.673 USER MOD Single : A 33 SER OG : rot 174:sc= 0.0888 USER MOD Single : A 34 LYS NZ :NH3+ -149:sc= -0.172 (180deg=-1.39!) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.161 X(o=-0.16,f=0) USER MOD Single : A 57 GLN : amide:sc= -0.0758! C(o=-0.076!,f=-8.6!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -24:sc= 0.366 USER MOD Single : A 83 GLN : amide:sc= -0.0448 K(o=-0.045,f=-2.7!) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.176 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.198 25.324 -0.027 1.00 0.00 N ATOM 2 CA GLY A 1 16.955 26.660 -0.539 1.00 0.00 C ATOM 3 C GLY A 1 16.190 27.526 0.442 1.00 0.00 C ATOM 4 O GLY A 1 16.785 28.188 1.293 1.00 0.00 O ATOM 0 H1 GLY A 1 17.724 24.772 -0.734 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.755 25.384 0.849 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.290 24.858 0.171 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.908 27.135 -0.772 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.396 26.592 -1.472 1.00 0.00 H new ATOM 8 N SER A 2 14.866 27.525 0.323 1.00 0.00 N ATOM 9 CA SER A 2 14.018 28.321 1.202 1.00 0.00 C ATOM 10 C SER A 2 13.076 27.427 2.003 1.00 0.00 C ATOM 11 O SER A 2 12.416 26.547 1.449 1.00 0.00 O ATOM 12 CB SER A 2 13.211 29.333 0.388 1.00 0.00 C ATOM 13 OG SER A 2 14.064 30.242 -0.286 1.00 0.00 O ATOM 0 H SER A 2 14.357 26.981 -0.374 1.00 0.00 H new ATOM 0 HA SER A 2 14.661 28.858 1.899 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.589 28.808 -0.337 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.539 29.881 1.048 1.00 0.00 H new ATOM 0 HG SER A 2 13.524 30.877 -0.801 1.00 0.00 H new ATOM 19 N SER A 3 13.018 27.660 3.310 1.00 0.00 N ATOM 20 CA SER A 3 12.160 26.874 4.189 1.00 0.00 C ATOM 21 C SER A 3 10.870 27.626 4.504 1.00 0.00 C ATOM 22 O SER A 3 10.834 28.856 4.482 1.00 0.00 O ATOM 23 CB SER A 3 12.896 26.536 5.487 1.00 0.00 C ATOM 24 OG SER A 3 12.251 25.481 6.179 1.00 0.00 O ATOM 0 H SER A 3 13.555 28.387 3.784 1.00 0.00 H new ATOM 0 HA SER A 3 11.904 25.949 3.673 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.924 26.253 5.262 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.941 27.419 6.124 1.00 0.00 H new ATOM 0 HG SER A 3 12.742 25.283 7.004 1.00 0.00 H new ATOM 30 N GLY A 4 9.811 26.877 4.796 1.00 0.00 N ATOM 31 CA GLY A 4 8.533 27.489 5.110 1.00 0.00 C ATOM 32 C GLY A 4 7.626 27.591 3.901 1.00 0.00 C ATOM 33 O GLY A 4 7.644 28.592 3.185 1.00 0.00 O ATOM 0 H GLY A 4 9.815 25.857 4.821 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.035 26.906 5.885 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.702 28.485 5.519 1.00 0.00 H new ATOM 37 N SER A 5 6.831 26.550 3.670 1.00 0.00 N ATOM 38 CA SER A 5 5.916 26.524 2.535 1.00 0.00 C ATOM 39 C SER A 5 4.695 27.400 2.801 1.00 0.00 C ATOM 40 O SER A 5 4.439 28.364 2.079 1.00 0.00 O ATOM 41 CB SER A 5 5.475 25.089 2.241 1.00 0.00 C ATOM 42 OG SER A 5 6.569 24.297 1.814 1.00 0.00 O ATOM 0 H SER A 5 6.803 25.714 4.254 1.00 0.00 H new ATOM 0 HA SER A 5 6.442 26.919 1.666 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.032 24.651 3.135 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.703 25.093 1.472 1.00 0.00 H new ATOM 0 HG SER A 5 6.261 23.384 1.634 1.00 0.00 H new ATOM 48 N SER A 6 3.944 27.056 3.843 1.00 0.00 N ATOM 49 CA SER A 6 2.748 27.807 4.203 1.00 0.00 C ATOM 50 C SER A 6 1.750 27.827 3.049 1.00 0.00 C ATOM 51 O SER A 6 1.063 28.822 2.825 1.00 0.00 O ATOM 52 CB SER A 6 3.118 29.239 4.597 1.00 0.00 C ATOM 53 OG SER A 6 2.076 29.848 5.340 1.00 0.00 O ATOM 0 H SER A 6 4.143 26.262 4.452 1.00 0.00 H new ATOM 0 HA SER A 6 2.282 27.312 5.055 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.034 29.232 5.188 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.321 29.825 3.701 1.00 0.00 H new ATOM 0 HG SER A 6 1.237 29.789 4.836 1.00 0.00 H new ATOM 59 N GLY A 7 1.678 26.719 2.318 1.00 0.00 N ATOM 60 CA GLY A 7 0.763 26.629 1.195 1.00 0.00 C ATOM 61 C GLY A 7 -0.177 25.445 1.307 1.00 0.00 C ATOM 62 O GLY A 7 -0.495 24.979 2.402 1.00 0.00 O ATOM 0 H GLY A 7 2.237 25.882 2.483 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.180 27.547 1.131 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.334 26.549 0.270 1.00 0.00 H new ATOM 66 N PRO A 8 -0.641 24.942 0.154 1.00 0.00 N ATOM 67 CA PRO A 8 -1.559 23.800 0.101 1.00 0.00 C ATOM 68 C PRO A 8 -0.886 22.495 0.513 1.00 0.00 C ATOM 69 O PRO A 8 0.300 22.475 0.843 1.00 0.00 O ATOM 70 CB PRO A 8 -1.974 23.746 -1.372 1.00 0.00 C ATOM 71 CG PRO A 8 -0.847 24.388 -2.106 1.00 0.00 C ATOM 72 CD PRO A 8 -0.305 25.448 -1.187 1.00 0.00 C ATOM 0 HA PRO A 8 -2.396 23.918 0.790 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.128 22.719 -1.703 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.910 24.279 -1.540 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.078 23.658 -2.356 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.190 24.823 -3.045 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.770 25.575 -1.311 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.765 26.418 -1.377 1.00 0.00 H new ATOM 80 N SER A 9 -1.650 21.408 0.492 1.00 0.00 N ATOM 81 CA SER A 9 -1.128 20.099 0.867 1.00 0.00 C ATOM 82 C SER A 9 -0.606 19.352 -0.356 1.00 0.00 C ATOM 83 O SER A 9 -1.303 19.222 -1.363 1.00 0.00 O ATOM 84 CB SER A 9 -2.213 19.273 1.560 1.00 0.00 C ATOM 85 OG SER A 9 -3.426 19.308 0.828 1.00 0.00 O ATOM 0 H SER A 9 -2.633 21.408 0.219 1.00 0.00 H new ATOM 0 HA SER A 9 -0.300 20.250 1.559 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.878 18.241 1.665 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.380 19.658 2.566 1.00 0.00 H new ATOM 0 HG SER A 9 -3.580 18.436 0.408 1.00 0.00 H new ATOM 91 N LYS A 10 0.625 18.861 -0.261 1.00 0.00 N ATOM 92 CA LYS A 10 1.243 18.125 -1.358 1.00 0.00 C ATOM 93 C LYS A 10 1.879 16.833 -0.855 1.00 0.00 C ATOM 94 O LYS A 10 2.400 16.778 0.259 1.00 0.00 O ATOM 95 CB LYS A 10 2.298 18.990 -2.050 1.00 0.00 C ATOM 96 CG LYS A 10 1.712 20.145 -2.844 1.00 0.00 C ATOM 97 CD LYS A 10 2.795 20.946 -3.547 1.00 0.00 C ATOM 98 CE LYS A 10 3.331 22.058 -2.658 1.00 0.00 C ATOM 99 NZ LYS A 10 4.473 21.599 -1.821 1.00 0.00 N ATOM 0 H LYS A 10 1.215 18.960 0.565 1.00 0.00 H new ATOM 0 HA LYS A 10 0.464 17.870 -2.076 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.981 19.386 -1.298 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.888 18.363 -2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.007 19.760 -3.581 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.151 20.799 -2.176 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.611 20.283 -3.834 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.394 21.374 -4.466 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.649 22.896 -3.278 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.532 22.424 -2.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.253 21.757 -0.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.637 20.585 -1.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.328 22.134 -2.077 1.00 0.00 H new ATOM 113 N PHE A 11 1.836 15.796 -1.685 1.00 0.00 N ATOM 114 CA PHE A 11 2.409 14.504 -1.324 1.00 0.00 C ATOM 115 C PHE A 11 3.930 14.532 -1.444 1.00 0.00 C ATOM 116 O PHE A 11 4.474 14.816 -2.512 1.00 0.00 O ATOM 117 CB PHE A 11 1.836 13.401 -2.216 1.00 0.00 C ATOM 118 CG PHE A 11 0.389 13.102 -1.945 1.00 0.00 C ATOM 119 CD1 PHE A 11 0.029 12.172 -0.984 1.00 0.00 C ATOM 120 CD2 PHE A 11 -0.610 13.751 -2.652 1.00 0.00 C ATOM 121 CE1 PHE A 11 -1.301 11.894 -0.731 1.00 0.00 C ATOM 122 CE2 PHE A 11 -1.942 13.478 -2.404 1.00 0.00 C ATOM 123 CZ PHE A 11 -2.288 12.548 -1.443 1.00 0.00 C ATOM 0 H PHE A 11 1.411 15.825 -2.612 1.00 0.00 H new ATOM 0 HA PHE A 11 2.147 14.295 -0.287 1.00 0.00 H new ATOM 0 HB2 PHE A 11 1.949 13.694 -3.260 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.419 12.491 -2.075 1.00 0.00 H new ATOM 0 HD1 PHE A 11 0.797 11.658 -0.425 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.345 14.478 -3.405 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.568 11.167 0.022 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.712 13.991 -2.961 1.00 0.00 H new ATOM 0 HZ PHE A 11 -3.328 12.332 -1.249 1.00 0.00 H new ATOM 133 N ILE A 12 4.610 14.235 -0.342 1.00 0.00 N ATOM 134 CA ILE A 12 6.067 14.226 -0.323 1.00 0.00 C ATOM 135 C ILE A 12 6.612 12.834 -0.625 1.00 0.00 C ATOM 136 O ILE A 12 7.456 12.664 -1.504 1.00 0.00 O ATOM 137 CB ILE A 12 6.616 14.695 1.037 1.00 0.00 C ATOM 138 CG1 ILE A 12 5.644 15.679 1.692 1.00 0.00 C ATOM 139 CG2 ILE A 12 7.986 15.333 0.864 1.00 0.00 C ATOM 140 CD1 ILE A 12 5.279 16.849 0.805 1.00 0.00 C ATOM 0 H ILE A 12 4.175 13.997 0.549 1.00 0.00 H new ATOM 0 HA ILE A 12 6.396 14.919 -1.097 1.00 0.00 H new ATOM 0 HB ILE A 12 6.720 13.827 1.688 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.734 15.147 1.971 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.088 16.056 2.613 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.361 15.659 1.834 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.675 14.605 0.435 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.906 16.192 0.198 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.587 17.505 1.334 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.180 17.405 0.547 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.806 16.482 -0.106 1.00 0.00 H new ATOM 152 N GLU A 13 6.121 11.840 0.110 1.00 0.00 N ATOM 153 CA GLU A 13 6.558 10.462 -0.081 1.00 0.00 C ATOM 154 C GLU A 13 5.514 9.662 -0.854 1.00 0.00 C ATOM 155 O GLU A 13 5.104 8.583 -0.430 1.00 0.00 O ATOM 156 CB GLU A 13 6.827 9.798 1.271 1.00 0.00 C ATOM 157 CG GLU A 13 7.867 8.691 1.209 1.00 0.00 C ATOM 158 CD GLU A 13 9.282 9.210 1.376 1.00 0.00 C ATOM 159 OE1 GLU A 13 9.680 9.490 2.526 1.00 0.00 O ATOM 160 OE2 GLU A 13 9.991 9.335 0.356 1.00 0.00 O ATOM 0 H GLU A 13 5.421 11.964 0.842 1.00 0.00 H new ATOM 0 HA GLU A 13 7.481 10.477 -0.661 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.158 10.557 1.980 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.894 9.387 1.657 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.659 7.958 1.988 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.784 8.173 0.254 1.00 0.00 H new ATOM 167 N GLY A 14 5.088 10.201 -1.993 1.00 0.00 N ATOM 168 CA GLY A 14 4.095 9.525 -2.807 1.00 0.00 C ATOM 169 C GLY A 14 4.228 8.016 -2.751 1.00 0.00 C ATOM 170 O GLY A 14 5.325 7.476 -2.904 1.00 0.00 O ATOM 0 H GLY A 14 5.413 11.093 -2.366 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.098 9.811 -2.471 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.190 9.857 -3.841 1.00 0.00 H new ATOM 174 N LEU A 15 3.111 7.333 -2.530 1.00 0.00 N ATOM 175 CA LEU A 15 3.107 5.876 -2.452 1.00 0.00 C ATOM 176 C LEU A 15 4.138 5.278 -3.404 1.00 0.00 C ATOM 177 O LEU A 15 4.371 5.803 -4.492 1.00 0.00 O ATOM 178 CB LEU A 15 1.716 5.332 -2.780 1.00 0.00 C ATOM 179 CG LEU A 15 0.563 5.890 -1.946 1.00 0.00 C ATOM 180 CD1 LEU A 15 -0.775 5.487 -2.547 1.00 0.00 C ATOM 181 CD2 LEU A 15 0.667 5.413 -0.504 1.00 0.00 C ATOM 0 H LEU A 15 2.196 7.764 -2.402 1.00 0.00 H new ATOM 0 HA LEU A 15 3.371 5.590 -1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.508 5.533 -3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.734 4.249 -2.660 1.00 0.00 H new ATOM 0 HG LEU A 15 0.629 6.978 -1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.584 5.893 -1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.851 5.879 -3.561 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.850 4.400 -2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.162 5.820 0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.628 4.324 -0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.610 5.753 -0.075 1.00 0.00 H new ATOM 193 N ARG A 16 4.750 4.174 -2.987 1.00 0.00 N ATOM 194 CA ARG A 16 5.755 3.503 -3.803 1.00 0.00 C ATOM 195 C ARG A 16 5.444 2.015 -3.934 1.00 0.00 C ATOM 196 O ARG A 16 4.784 1.431 -3.075 1.00 0.00 O ATOM 197 CB ARG A 16 7.146 3.693 -3.195 1.00 0.00 C ATOM 198 CG ARG A 16 7.301 3.064 -1.820 1.00 0.00 C ATOM 199 CD ARG A 16 8.764 2.931 -1.430 1.00 0.00 C ATOM 200 NE ARG A 16 8.941 2.867 0.018 1.00 0.00 N ATOM 201 CZ ARG A 16 10.121 2.716 0.609 1.00 0.00 C ATOM 202 NH1 ARG A 16 11.223 2.614 -0.121 1.00 0.00 N ATOM 203 NH2 ARG A 16 10.201 2.666 1.932 1.00 0.00 N ATOM 0 H ARG A 16 4.567 3.726 -2.089 1.00 0.00 H new ATOM 0 HA ARG A 16 5.737 3.949 -4.797 1.00 0.00 H new ATOM 0 HB2 ARG A 16 7.889 3.264 -3.867 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.359 4.760 -3.123 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.780 3.671 -1.080 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.831 2.081 -1.813 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.180 2.033 -1.886 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.323 3.778 -1.826 1.00 0.00 H new ATOM 0 HE ARG A 16 8.113 2.942 0.608 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.166 2.651 -1.139 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.128 2.498 0.335 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.356 2.744 2.497 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.108 2.550 2.384 1.00 0.00 H new ATOM 217 N ASN A 17 5.923 1.408 -5.015 1.00 0.00 N ATOM 218 CA ASN A 17 5.695 -0.011 -5.259 1.00 0.00 C ATOM 219 C ASN A 17 5.677 -0.792 -3.948 1.00 0.00 C ATOM 220 O ASN A 17 6.671 -0.830 -3.224 1.00 0.00 O ATOM 221 CB ASN A 17 6.777 -0.571 -6.184 1.00 0.00 C ATOM 222 CG ASN A 17 7.062 -2.037 -5.921 1.00 0.00 C ATOM 223 OD1 ASN A 17 6.161 -2.875 -5.974 1.00 0.00 O ATOM 224 ND2 ASN A 17 8.319 -2.354 -5.633 1.00 0.00 N ATOM 0 H ASN A 17 6.471 1.877 -5.736 1.00 0.00 H new ATOM 0 HA ASN A 17 4.723 -0.120 -5.740 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.465 -0.445 -7.221 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.694 0.003 -6.055 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.570 -3.325 -5.445 1.00 0.00 H new ATOM 0 HD22 ASN A 17 9.034 -1.627 -5.600 1.00 0.00 H new ATOM 231 N GLU A 18 4.540 -1.414 -3.652 1.00 0.00 N ATOM 232 CA GLU A 18 4.393 -2.194 -2.428 1.00 0.00 C ATOM 233 C GLU A 18 4.220 -3.676 -2.746 1.00 0.00 C ATOM 234 O GLU A 18 3.289 -4.066 -3.451 1.00 0.00 O ATOM 235 CB GLU A 18 3.196 -1.692 -1.618 1.00 0.00 C ATOM 236 CG GLU A 18 3.107 -2.296 -0.227 1.00 0.00 C ATOM 237 CD GLU A 18 3.191 -3.810 -0.242 1.00 0.00 C ATOM 238 OE1 GLU A 18 2.372 -4.442 -0.943 1.00 0.00 O ATOM 239 OE2 GLU A 18 4.073 -4.363 0.447 1.00 0.00 O ATOM 0 H GLU A 18 3.708 -1.393 -4.242 1.00 0.00 H new ATOM 0 HA GLU A 18 5.300 -2.070 -1.837 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.256 -0.607 -1.531 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.279 -1.918 -2.162 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.912 -1.897 0.390 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.169 -1.992 0.238 1.00 0.00 H new ATOM 246 N GLU A 19 5.124 -4.498 -2.221 1.00 0.00 N ATOM 247 CA GLU A 19 5.072 -5.937 -2.449 1.00 0.00 C ATOM 248 C GLU A 19 4.795 -6.685 -1.148 1.00 0.00 C ATOM 249 O GLU A 19 5.552 -6.576 -0.184 1.00 0.00 O ATOM 250 CB GLU A 19 6.386 -6.426 -3.062 1.00 0.00 C ATOM 251 CG GLU A 19 6.449 -7.934 -3.242 1.00 0.00 C ATOM 252 CD GLU A 19 6.842 -8.657 -1.969 1.00 0.00 C ATOM 253 OE1 GLU A 19 7.555 -8.054 -1.140 1.00 0.00 O ATOM 254 OE2 GLU A 19 6.436 -9.826 -1.801 1.00 0.00 O ATOM 0 H GLU A 19 5.901 -4.192 -1.635 1.00 0.00 H new ATOM 0 HA GLU A 19 4.257 -6.140 -3.144 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.526 -5.947 -4.031 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.214 -6.109 -2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.477 -8.297 -3.577 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.166 -8.173 -4.027 1.00 0.00 H new ATOM 261 N ALA A 20 3.704 -7.444 -1.129 1.00 0.00 N ATOM 262 CA ALA A 20 3.327 -8.211 0.051 1.00 0.00 C ATOM 263 C ALA A 20 2.891 -9.622 -0.327 1.00 0.00 C ATOM 264 O ALA A 20 2.855 -9.978 -1.506 1.00 0.00 O ATOM 265 CB ALA A 20 2.218 -7.499 0.811 1.00 0.00 C ATOM 0 H ALA A 20 3.066 -7.544 -1.918 1.00 0.00 H new ATOM 0 HA ALA A 20 4.202 -8.291 0.697 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.946 -8.083 1.690 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.565 -6.514 1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.347 -7.389 0.165 1.00 0.00 H new ATOM 271 N THR A 21 2.560 -10.424 0.680 1.00 0.00 N ATOM 272 CA THR A 21 2.128 -11.797 0.453 1.00 0.00 C ATOM 273 C THR A 21 0.631 -11.950 0.697 1.00 0.00 C ATOM 274 O THR A 21 0.048 -11.229 1.506 1.00 0.00 O ATOM 275 CB THR A 21 2.887 -12.783 1.361 1.00 0.00 C ATOM 276 OG1 THR A 21 4.299 -12.586 1.224 1.00 0.00 O ATOM 277 CG2 THR A 21 2.535 -14.221 1.013 1.00 0.00 C ATOM 0 H THR A 21 2.583 -10.146 1.661 1.00 0.00 H new ATOM 0 HA THR A 21 2.350 -12.029 -0.589 1.00 0.00 H new ATOM 0 HB THR A 21 2.592 -12.593 2.393 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.775 -13.215 1.805 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.083 -14.898 1.668 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.464 -14.376 1.146 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.805 -14.421 -0.024 1.00 0.00 H new ATOM 285 N GLU A 22 0.014 -12.894 -0.008 1.00 0.00 N ATOM 286 CA GLU A 22 -1.416 -13.140 0.134 1.00 0.00 C ATOM 287 C GLU A 22 -1.775 -13.446 1.585 1.00 0.00 C ATOM 288 O GLU A 22 -0.924 -13.858 2.372 1.00 0.00 O ATOM 289 CB GLU A 22 -1.847 -14.301 -0.765 1.00 0.00 C ATOM 290 CG GLU A 22 -3.346 -14.553 -0.757 1.00 0.00 C ATOM 291 CD GLU A 22 -3.729 -15.815 -1.505 1.00 0.00 C ATOM 292 OE1 GLU A 22 -3.152 -16.880 -1.205 1.00 0.00 O ATOM 293 OE2 GLU A 22 -4.606 -15.737 -2.391 1.00 0.00 O ATOM 0 H GLU A 22 0.482 -13.500 -0.682 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.946 -12.237 -0.170 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.527 -14.097 -1.787 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.333 -15.207 -0.445 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.693 -14.627 0.274 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.856 -13.700 -1.205 1.00 0.00 H new ATOM 300 N GLY A 23 -3.042 -13.240 1.931 1.00 0.00 N ATOM 301 CA GLY A 23 -3.492 -13.497 3.287 1.00 0.00 C ATOM 302 C GLY A 23 -3.050 -12.420 4.259 1.00 0.00 C ATOM 303 O GLY A 23 -3.851 -11.925 5.052 1.00 0.00 O ATOM 0 H GLY A 23 -3.765 -12.900 1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.580 -13.568 3.298 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.106 -14.461 3.618 1.00 0.00 H new ATOM 307 N ASP A 24 -1.774 -12.059 4.198 1.00 0.00 N ATOM 308 CA ASP A 24 -1.227 -11.034 5.080 1.00 0.00 C ATOM 309 C ASP A 24 -2.018 -9.735 4.960 1.00 0.00 C ATOM 310 O ASP A 24 -3.032 -9.675 4.265 1.00 0.00 O ATOM 311 CB ASP A 24 0.246 -10.781 4.752 1.00 0.00 C ATOM 312 CG ASP A 24 1.136 -11.940 5.156 1.00 0.00 C ATOM 313 OD1 ASP A 24 0.967 -13.043 4.595 1.00 0.00 O ATOM 314 OD2 ASP A 24 2.003 -11.743 6.033 1.00 0.00 O ATOM 0 H ASP A 24 -1.099 -12.460 3.548 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.306 -11.393 6.106 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.351 -10.601 3.682 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.579 -9.876 5.261 1.00 0.00 H new ATOM 319 N THR A 25 -1.547 -8.697 5.644 1.00 0.00 N ATOM 320 CA THR A 25 -2.211 -7.400 5.616 1.00 0.00 C ATOM 321 C THR A 25 -1.252 -6.300 5.175 1.00 0.00 C ATOM 322 O THR A 25 -0.334 -5.933 5.908 1.00 0.00 O ATOM 323 CB THR A 25 -2.791 -7.036 6.996 1.00 0.00 C ATOM 324 OG1 THR A 25 -3.854 -7.935 7.334 1.00 0.00 O ATOM 325 CG2 THR A 25 -3.308 -5.605 7.006 1.00 0.00 C ATOM 0 H THR A 25 -0.709 -8.729 6.224 1.00 0.00 H new ATOM 0 HA THR A 25 -3.026 -7.478 4.896 1.00 0.00 H new ATOM 0 HB THR A 25 -1.994 -7.123 7.734 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.896 -8.041 8.307 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.713 -5.371 7.991 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.490 -4.921 6.778 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.092 -5.496 6.256 1.00 0.00 H new ATOM 333 N ALA A 26 -1.471 -5.777 3.973 1.00 0.00 N ATOM 334 CA ALA A 26 -0.627 -4.717 3.436 1.00 0.00 C ATOM 335 C ALA A 26 -0.910 -3.387 4.126 1.00 0.00 C ATOM 336 O ALA A 26 -2.038 -3.118 4.540 1.00 0.00 O ATOM 337 CB ALA A 26 -0.833 -4.589 1.934 1.00 0.00 C ATOM 0 H ALA A 26 -2.226 -6.070 3.353 1.00 0.00 H new ATOM 0 HA ALA A 26 0.413 -4.982 3.628 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.197 -3.794 1.546 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.573 -5.530 1.450 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.877 -4.351 1.729 1.00 0.00 H new ATOM 343 N THR A 27 0.122 -2.558 4.247 1.00 0.00 N ATOM 344 CA THR A 27 -0.015 -1.256 4.889 1.00 0.00 C ATOM 345 C THR A 27 0.774 -0.188 4.141 1.00 0.00 C ATOM 346 O THR A 27 2.006 -0.174 4.175 1.00 0.00 O ATOM 347 CB THR A 27 0.460 -1.299 6.354 1.00 0.00 C ATOM 348 OG1 THR A 27 -0.432 -2.101 7.135 1.00 0.00 O ATOM 349 CG2 THR A 27 0.536 0.103 6.939 1.00 0.00 C ATOM 0 H THR A 27 1.062 -2.765 3.909 1.00 0.00 H new ATOM 0 HA THR A 27 -1.075 -1.002 4.866 1.00 0.00 H new ATOM 0 HB THR A 27 1.457 -1.739 6.377 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.122 -2.124 8.064 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.874 0.048 7.974 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.239 0.701 6.360 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.450 0.566 6.903 1.00 0.00 H new ATOM 357 N LEU A 28 0.060 0.705 3.467 1.00 0.00 N ATOM 358 CA LEU A 28 0.695 1.779 2.710 1.00 0.00 C ATOM 359 C LEU A 28 0.641 3.094 3.481 1.00 0.00 C ATOM 360 O LEU A 28 -0.256 3.310 4.296 1.00 0.00 O ATOM 361 CB LEU A 28 0.013 1.944 1.351 1.00 0.00 C ATOM 362 CG LEU A 28 0.317 0.864 0.312 1.00 0.00 C ATOM 363 CD1 LEU A 28 -0.687 -0.274 0.414 1.00 0.00 C ATOM 364 CD2 LEU A 28 0.314 1.456 -1.090 1.00 0.00 C ATOM 0 H LEU A 28 -0.959 0.708 3.428 1.00 0.00 H new ATOM 0 HA LEU A 28 1.740 1.512 2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.065 1.975 1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.302 2.910 0.937 1.00 0.00 H new ATOM 0 HG LEU A 28 1.310 0.463 0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.454 -1.033 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.635 -0.717 1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.692 0.111 0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.532 0.673 -1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.666 1.885 -1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.073 2.235 -1.158 1.00 0.00 H new ATOM 376 N TRP A 29 1.605 3.968 3.216 1.00 0.00 N ATOM 377 CA TRP A 29 1.666 5.264 3.884 1.00 0.00 C ATOM 378 C TRP A 29 2.288 6.317 2.974 1.00 0.00 C ATOM 379 O TRP A 29 3.023 5.988 2.042 1.00 0.00 O ATOM 380 CB TRP A 29 2.469 5.154 5.181 1.00 0.00 C ATOM 381 CG TRP A 29 3.943 5.002 4.957 1.00 0.00 C ATOM 382 CD1 TRP A 29 4.651 3.835 4.927 1.00 0.00 C ATOM 383 CD2 TRP A 29 4.888 6.054 4.732 1.00 0.00 C ATOM 384 NE1 TRP A 29 5.980 4.098 4.698 1.00 0.00 N ATOM 385 CE2 TRP A 29 6.151 5.451 4.574 1.00 0.00 C ATOM 386 CE3 TRP A 29 4.790 7.445 4.647 1.00 0.00 C ATOM 387 CZ2 TRP A 29 7.305 6.194 4.337 1.00 0.00 C ATOM 388 CZ3 TRP A 29 5.936 8.181 4.413 1.00 0.00 C ATOM 389 CH2 TRP A 29 7.180 7.554 4.259 1.00 0.00 C ATOM 0 H TRP A 29 2.355 3.804 2.544 1.00 0.00 H new ATOM 0 HA TRP A 29 0.647 5.572 4.120 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.291 6.043 5.787 1.00 0.00 H new ATOM 0 HB3 TRP A 29 2.106 4.300 5.753 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.229 2.850 5.063 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.720 3.399 4.631 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.835 7.937 4.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.265 5.713 4.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 5.872 9.257 4.348 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.057 8.156 4.075 1.00 0.00 H new ATOM 400 N CYS A 30 1.990 7.581 3.250 1.00 0.00 N ATOM 401 CA CYS A 30 2.521 8.683 2.454 1.00 0.00 C ATOM 402 C CYS A 30 2.577 9.968 3.274 1.00 0.00 C ATOM 403 O CYS A 30 1.682 10.245 4.072 1.00 0.00 O ATOM 404 CB CYS A 30 1.664 8.897 1.206 1.00 0.00 C ATOM 405 SG CYS A 30 0.003 9.523 1.549 1.00 0.00 S ATOM 0 H CYS A 30 1.384 7.869 4.018 1.00 0.00 H new ATOM 0 HA CYS A 30 3.535 8.423 2.149 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.174 9.596 0.543 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.581 7.952 0.669 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.188 10.630 0.894 1.00 0.00 H new ATOM 411 N GLU A 31 3.635 10.747 3.072 1.00 0.00 N ATOM 412 CA GLU A 31 3.808 12.002 3.795 1.00 0.00 C ATOM 413 C GLU A 31 3.064 13.138 3.099 1.00 0.00 C ATOM 414 O GLU A 31 2.774 13.065 1.904 1.00 0.00 O ATOM 415 CB GLU A 31 5.294 12.347 3.912 1.00 0.00 C ATOM 416 CG GLU A 31 5.628 13.189 5.132 1.00 0.00 C ATOM 417 CD GLU A 31 5.833 12.352 6.380 1.00 0.00 C ATOM 418 OE1 GLU A 31 4.914 11.587 6.739 1.00 0.00 O ATOM 419 OE2 GLU A 31 6.913 12.462 6.997 1.00 0.00 O ATOM 0 H GLU A 31 4.385 10.532 2.415 1.00 0.00 H new ATOM 0 HA GLU A 31 3.391 11.877 4.794 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.871 11.423 3.949 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.606 12.882 3.015 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.531 13.767 4.934 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.824 13.904 5.307 1.00 0.00 H new ATOM 426 N LEU A 32 2.757 14.186 3.855 1.00 0.00 N ATOM 427 CA LEU A 32 2.046 15.338 3.312 1.00 0.00 C ATOM 428 C LEU A 32 2.705 16.642 3.752 1.00 0.00 C ATOM 429 O LEU A 32 3.132 16.776 4.899 1.00 0.00 O ATOM 430 CB LEU A 32 0.583 15.317 3.759 1.00 0.00 C ATOM 431 CG LEU A 32 -0.376 16.199 2.960 1.00 0.00 C ATOM 432 CD1 LEU A 32 -0.451 15.734 1.514 1.00 0.00 C ATOM 433 CD2 LEU A 32 -1.759 16.196 3.596 1.00 0.00 C ATOM 0 H LEU A 32 2.989 14.262 4.845 1.00 0.00 H new ATOM 0 HA LEU A 32 2.088 15.280 2.224 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.224 14.289 3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.539 15.622 4.805 1.00 0.00 H new ATOM 0 HG LEU A 32 0.005 17.220 2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.139 16.374 0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.539 15.790 1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.808 14.705 1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.429 16.829 3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.148 15.178 3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.692 16.579 4.614 1.00 0.00 H new ATOM 445 N SER A 33 2.781 17.600 2.834 1.00 0.00 N ATOM 446 CA SER A 33 3.389 18.892 3.127 1.00 0.00 C ATOM 447 C SER A 33 2.621 19.617 4.229 1.00 0.00 C ATOM 448 O SER A 33 3.201 20.358 5.022 1.00 0.00 O ATOM 449 CB SER A 33 3.432 19.757 1.866 1.00 0.00 C ATOM 450 OG SER A 33 2.260 20.544 1.747 1.00 0.00 O ATOM 0 H SER A 33 2.429 17.506 1.881 1.00 0.00 H new ATOM 0 HA SER A 33 4.407 18.716 3.473 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.308 20.405 1.896 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.537 19.120 0.988 1.00 0.00 H new ATOM 0 HG SER A 33 2.352 21.156 0.987 1.00 0.00 H new ATOM 456 N LYS A 34 1.312 19.397 4.271 1.00 0.00 N ATOM 457 CA LYS A 34 0.462 20.026 5.274 1.00 0.00 C ATOM 458 C LYS A 34 -0.492 19.010 5.894 1.00 0.00 C ATOM 459 O LYS A 34 -0.840 18.009 5.268 1.00 0.00 O ATOM 460 CB LYS A 34 -0.334 21.175 4.650 1.00 0.00 C ATOM 461 CG LYS A 34 -1.500 21.642 5.505 1.00 0.00 C ATOM 462 CD LYS A 34 -1.027 22.455 6.698 1.00 0.00 C ATOM 463 CE LYS A 34 -0.870 23.926 6.343 1.00 0.00 C ATOM 464 NZ LYS A 34 0.487 24.225 5.808 1.00 0.00 N ATOM 0 H LYS A 34 0.816 18.787 3.621 1.00 0.00 H new ATOM 0 HA LYS A 34 1.104 20.422 6.061 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.336 22.016 4.474 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.711 20.859 3.678 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.178 22.244 4.900 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.065 20.778 5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.740 22.351 7.516 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.075 22.062 7.053 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.621 24.203 5.604 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.054 24.535 7.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.753 25.198 6.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.175 23.560 6.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.482 24.126 4.773 1.00 0.00 H new ATOM 478 N ALA A 35 -0.914 19.276 7.126 1.00 0.00 N ATOM 479 CA ALA A 35 -1.831 18.386 7.828 1.00 0.00 C ATOM 480 C ALA A 35 -3.258 18.558 7.321 1.00 0.00 C ATOM 481 O ALA A 35 -3.936 19.526 7.663 1.00 0.00 O ATOM 482 CB ALA A 35 -1.767 18.639 9.327 1.00 0.00 C ATOM 0 H ALA A 35 -0.636 20.100 7.658 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.525 17.359 7.630 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.457 17.968 9.839 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.753 18.458 9.683 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.046 19.672 9.534 1.00 0.00 H new ATOM 488 N ALA A 36 -3.708 17.612 6.503 1.00 0.00 N ATOM 489 CA ALA A 36 -5.056 17.658 5.950 1.00 0.00 C ATOM 490 C ALA A 36 -5.622 16.254 5.765 1.00 0.00 C ATOM 491 O ALA A 36 -4.889 15.282 5.580 1.00 0.00 O ATOM 492 CB ALA A 36 -5.058 18.408 4.626 1.00 0.00 C ATOM 0 H ALA A 36 -3.159 16.805 6.209 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.694 18.189 6.657 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.071 18.435 4.224 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.704 19.427 4.784 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.401 17.901 3.920 1.00 0.00 H new ATOM 498 N PRO A 37 -6.958 16.142 5.818 1.00 0.00 N ATOM 499 CA PRO A 37 -7.652 14.861 5.660 1.00 0.00 C ATOM 500 C PRO A 37 -7.566 14.328 4.234 1.00 0.00 C ATOM 501 O PRO A 37 -8.248 14.819 3.334 1.00 0.00 O ATOM 502 CB PRO A 37 -9.102 15.196 6.019 1.00 0.00 C ATOM 503 CG PRO A 37 -9.236 16.652 5.734 1.00 0.00 C ATOM 504 CD PRO A 37 -7.893 17.258 6.037 1.00 0.00 C ATOM 0 HA PRO A 37 -7.214 14.081 6.282 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.803 14.610 5.424 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.311 14.977 7.066 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.515 16.822 4.694 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.015 17.100 6.351 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.675 18.100 5.380 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.842 17.630 7.060 1.00 0.00 H new ATOM 512 N VAL A 38 -6.723 13.319 4.034 1.00 0.00 N ATOM 513 CA VAL A 38 -6.549 12.718 2.717 1.00 0.00 C ATOM 514 C VAL A 38 -7.609 11.655 2.454 1.00 0.00 C ATOM 515 O VAL A 38 -8.281 11.193 3.376 1.00 0.00 O ATOM 516 CB VAL A 38 -5.153 12.083 2.570 1.00 0.00 C ATOM 517 CG1 VAL A 38 -4.067 13.108 2.857 1.00 0.00 C ATOM 518 CG2 VAL A 38 -5.017 10.878 3.488 1.00 0.00 C ATOM 0 H VAL A 38 -6.150 12.901 4.767 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.654 13.520 1.986 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.034 11.742 1.541 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.088 12.641 2.748 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.154 13.937 2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.179 13.482 3.875 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.025 10.442 3.371 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.156 11.191 4.523 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.772 10.136 3.229 1.00 0.00 H new ATOM 528 N GLU A 39 -7.753 11.270 1.189 1.00 0.00 N ATOM 529 CA GLU A 39 -8.733 10.260 0.805 1.00 0.00 C ATOM 530 C GLU A 39 -8.069 9.125 0.031 1.00 0.00 C ATOM 531 O GLU A 39 -7.234 9.360 -0.842 1.00 0.00 O ATOM 532 CB GLU A 39 -9.841 10.890 -0.041 1.00 0.00 C ATOM 533 CG GLU A 39 -11.017 9.961 -0.292 1.00 0.00 C ATOM 534 CD GLU A 39 -12.054 10.021 0.814 1.00 0.00 C ATOM 535 OE1 GLU A 39 -12.975 10.859 0.719 1.00 0.00 O ATOM 536 OE2 GLU A 39 -11.943 9.229 1.773 1.00 0.00 O ATOM 0 H GLU A 39 -7.204 11.642 0.414 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.170 9.849 1.715 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.200 11.790 0.458 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.423 11.201 -0.999 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.487 10.223 -1.240 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.653 8.938 -0.389 1.00 0.00 H new ATOM 543 N TRP A 40 -8.446 7.894 0.359 1.00 0.00 N ATOM 544 CA TRP A 40 -7.887 6.722 -0.304 1.00 0.00 C ATOM 545 C TRP A 40 -8.878 6.138 -1.305 1.00 0.00 C ATOM 546 O TRP A 40 -10.084 6.115 -1.056 1.00 0.00 O ATOM 547 CB TRP A 40 -7.501 5.661 0.729 1.00 0.00 C ATOM 548 CG TRP A 40 -6.371 6.082 1.619 1.00 0.00 C ATOM 549 CD1 TRP A 40 -6.445 6.909 2.703 1.00 0.00 C ATOM 550 CD2 TRP A 40 -4.997 5.697 1.499 1.00 0.00 C ATOM 551 NE1 TRP A 40 -5.201 7.061 3.264 1.00 0.00 N ATOM 552 CE2 TRP A 40 -4.295 6.327 2.545 1.00 0.00 C ATOM 553 CE3 TRP A 40 -4.292 4.879 0.611 1.00 0.00 C ATOM 554 CZ2 TRP A 40 -2.924 6.165 2.724 1.00 0.00 C ATOM 555 CZ3 TRP A 40 -2.931 4.720 0.790 1.00 0.00 C ATOM 556 CH2 TRP A 40 -2.259 5.359 1.840 1.00 0.00 C ATOM 0 H TRP A 40 -9.136 7.682 1.080 1.00 0.00 H new ATOM 0 HA TRP A 40 -6.994 7.034 -0.845 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -8.371 5.429 1.343 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -7.223 4.743 0.210 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.349 7.375 3.066 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.986 7.629 4.084 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.802 4.380 -0.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.404 6.658 3.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.376 4.092 0.109 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -1.195 5.213 1.954 1.00 0.00 H new ATOM 567 N ARG A 41 -8.363 5.668 -2.436 1.00 0.00 N ATOM 568 CA ARG A 41 -9.205 5.085 -3.474 1.00 0.00 C ATOM 569 C ARG A 41 -8.590 3.796 -4.012 1.00 0.00 C ATOM 570 O ARG A 41 -7.409 3.755 -4.357 1.00 0.00 O ATOM 571 CB ARG A 41 -9.406 6.082 -4.616 1.00 0.00 C ATOM 572 CG ARG A 41 -10.084 7.373 -4.185 1.00 0.00 C ATOM 573 CD ARG A 41 -9.972 8.445 -5.258 1.00 0.00 C ATOM 574 NE ARG A 41 -10.981 9.489 -5.095 1.00 0.00 N ATOM 575 CZ ARG A 41 -11.325 10.335 -6.059 1.00 0.00 C ATOM 576 NH1 ARG A 41 -10.746 10.260 -7.249 1.00 0.00 N ATOM 577 NH2 ARG A 41 -12.252 11.258 -5.834 1.00 0.00 N ATOM 0 H ARG A 41 -7.367 5.679 -2.657 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.173 4.849 -3.032 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.437 6.319 -5.055 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.003 5.611 -5.397 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.135 7.179 -3.971 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.631 7.732 -3.261 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.979 8.892 -5.222 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.080 7.987 -6.241 1.00 0.00 H new ATOM 0 HE ARG A 41 -11.447 9.573 -4.191 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.034 9.551 -7.426 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.012 10.911 -7.988 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -12.701 11.318 -4.920 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -12.516 11.907 -6.575 1.00 0.00 H new ATOM 591 N LYS A 42 -9.399 2.744 -4.080 1.00 0.00 N ATOM 592 CA LYS A 42 -8.937 1.454 -4.576 1.00 0.00 C ATOM 593 C LYS A 42 -9.549 1.143 -5.938 1.00 0.00 C ATOM 594 O LYS A 42 -10.589 0.492 -6.029 1.00 0.00 O ATOM 595 CB LYS A 42 -9.290 0.345 -3.582 1.00 0.00 C ATOM 596 CG LYS A 42 -8.908 -1.045 -4.060 1.00 0.00 C ATOM 597 CD LYS A 42 -9.500 -2.123 -3.168 1.00 0.00 C ATOM 598 CE LYS A 42 -9.392 -3.499 -3.809 1.00 0.00 C ATOM 599 NZ LYS A 42 -7.974 -3.928 -3.962 1.00 0.00 N ATOM 0 H LYS A 42 -10.379 2.760 -3.797 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.854 1.503 -4.687 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.789 0.545 -2.635 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.362 0.371 -3.387 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.255 -1.187 -5.083 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.822 -1.140 -4.076 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.984 -2.126 -2.208 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.547 -1.896 -2.966 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.928 -4.227 -3.200 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.875 -3.484 -4.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.841 -4.360 -4.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.349 -3.102 -3.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.740 -4.622 -3.224 1.00 0.00 H new ATOM 613 N GLY A 43 -8.896 1.613 -6.997 1.00 0.00 N ATOM 614 CA GLY A 43 -9.391 1.374 -8.340 1.00 0.00 C ATOM 615 C GLY A 43 -10.551 2.281 -8.701 1.00 0.00 C ATOM 616 O GLY A 43 -10.384 3.495 -8.826 1.00 0.00 O ATOM 0 H GLY A 43 -8.033 2.155 -6.948 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.581 1.523 -9.054 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.706 0.334 -8.428 1.00 0.00 H new ATOM 620 N HIS A 44 -11.730 1.692 -8.870 1.00 0.00 N ATOM 621 CA HIS A 44 -12.923 2.456 -9.220 1.00 0.00 C ATOM 622 C HIS A 44 -13.865 2.568 -8.025 1.00 0.00 C ATOM 623 O HIS A 44 -15.079 2.418 -8.165 1.00 0.00 O ATOM 624 CB HIS A 44 -13.647 1.800 -10.396 1.00 0.00 C ATOM 625 CG HIS A 44 -12.864 1.828 -11.672 1.00 0.00 C ATOM 626 ND1 HIS A 44 -12.778 0.748 -12.526 1.00 0.00 N ATOM 627 CD2 HIS A 44 -12.130 2.813 -12.240 1.00 0.00 C ATOM 628 CE1 HIS A 44 -12.024 1.068 -13.562 1.00 0.00 C ATOM 629 NE2 HIS A 44 -11.619 2.316 -13.413 1.00 0.00 N ATOM 0 H HIS A 44 -11.886 0.689 -8.770 1.00 0.00 H new ATOM 0 HA HIS A 44 -12.611 3.459 -9.510 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -13.873 0.765 -10.141 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -14.600 2.305 -10.553 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -11.975 3.806 -11.844 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -11.780 0.419 -14.390 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -11.023 2.828 -14.064 1.00 0.00 H new ATOM 638 N GLU A 45 -13.298 2.833 -6.853 1.00 0.00 N ATOM 639 CA GLU A 45 -14.089 2.964 -5.634 1.00 0.00 C ATOM 640 C GLU A 45 -13.279 3.637 -4.530 1.00 0.00 C ATOM 641 O GLU A 45 -12.055 3.512 -4.477 1.00 0.00 O ATOM 642 CB GLU A 45 -14.571 1.590 -5.163 1.00 0.00 C ATOM 643 CG GLU A 45 -15.691 1.657 -4.138 1.00 0.00 C ATOM 644 CD GLU A 45 -17.065 1.701 -4.777 1.00 0.00 C ATOM 645 OE1 GLU A 45 -17.170 2.179 -5.926 1.00 0.00 O ATOM 646 OE2 GLU A 45 -18.036 1.257 -4.129 1.00 0.00 O ATOM 0 H GLU A 45 -12.295 2.961 -6.721 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.954 3.588 -5.858 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.913 1.019 -6.026 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.729 1.046 -4.734 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.628 0.790 -3.480 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.556 2.541 -3.515 1.00 0.00 H new ATOM 653 N THR A 46 -13.971 4.352 -3.648 1.00 0.00 N ATOM 654 CA THR A 46 -13.318 5.046 -2.546 1.00 0.00 C ATOM 655 C THR A 46 -13.447 4.259 -1.247 1.00 0.00 C ATOM 656 O THR A 46 -14.545 3.861 -0.857 1.00 0.00 O ATOM 657 CB THR A 46 -13.908 6.454 -2.341 1.00 0.00 C ATOM 658 OG1 THR A 46 -13.844 7.195 -3.564 1.00 0.00 O ATOM 659 CG2 THR A 46 -13.157 7.202 -1.249 1.00 0.00 C ATOM 0 H THR A 46 -14.984 4.465 -3.676 1.00 0.00 H new ATOM 0 HA THR A 46 -12.264 5.136 -2.809 1.00 0.00 H new ATOM 0 HB THR A 46 -14.949 6.347 -2.036 1.00 0.00 H new ATOM 0 HG1 THR A 46 -14.223 8.088 -3.425 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.592 8.194 -1.122 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.233 6.650 -0.312 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.108 7.299 -1.530 1.00 0.00 H new ATOM 667 N LEU A 47 -12.319 4.039 -0.580 1.00 0.00 N ATOM 668 CA LEU A 47 -12.306 3.299 0.677 1.00 0.00 C ATOM 669 C LEU A 47 -12.893 4.138 1.808 1.00 0.00 C ATOM 670 O LEU A 47 -13.016 5.357 1.691 1.00 0.00 O ATOM 671 CB LEU A 47 -10.879 2.876 1.028 1.00 0.00 C ATOM 672 CG LEU A 47 -10.128 2.091 -0.048 1.00 0.00 C ATOM 673 CD1 LEU A 47 -8.683 1.862 0.369 1.00 0.00 C ATOM 674 CD2 LEU A 47 -10.822 0.765 -0.323 1.00 0.00 C ATOM 0 H LEU A 47 -11.402 4.362 -0.889 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.922 2.408 0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -10.304 3.771 1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.913 2.271 1.934 1.00 0.00 H new ATOM 0 HG LEU A 47 -10.131 2.677 -0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.164 1.302 -0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.190 2.823 0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.658 1.297 1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -10.274 0.220 -1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.851 0.173 0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.840 0.951 -0.667 1.00 0.00 H new ATOM 686 N ARG A 48 -13.251 3.477 2.904 1.00 0.00 N ATOM 687 CA ARG A 48 -13.823 4.162 4.057 1.00 0.00 C ATOM 688 C ARG A 48 -13.578 3.368 5.337 1.00 0.00 C ATOM 689 O ARG A 48 -13.486 2.141 5.311 1.00 0.00 O ATOM 690 CB ARG A 48 -15.324 4.376 3.856 1.00 0.00 C ATOM 691 CG ARG A 48 -15.661 5.233 2.647 1.00 0.00 C ATOM 692 CD ARG A 48 -17.151 5.524 2.568 1.00 0.00 C ATOM 693 NE ARG A 48 -17.436 6.702 1.753 1.00 0.00 N ATOM 694 CZ ARG A 48 -18.661 7.177 1.550 1.00 0.00 C ATOM 695 NH1 ARG A 48 -19.707 6.576 2.099 1.00 0.00 N ATOM 696 NH2 ARG A 48 -18.839 8.254 0.796 1.00 0.00 N ATOM 0 H ARG A 48 -13.155 2.468 3.018 1.00 0.00 H new ATOM 0 HA ARG A 48 -13.334 5.132 4.152 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.810 3.406 3.750 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.738 4.844 4.749 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -15.108 6.171 2.699 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -15.340 4.724 1.738 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -17.667 4.660 2.150 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -17.545 5.675 3.573 1.00 0.00 H new ATOM 0 HE ARG A 48 -16.652 7.187 1.316 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -19.573 5.747 2.679 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -20.646 6.942 1.942 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -18.036 8.718 0.372 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -19.779 8.618 0.641 1.00 0.00 H new ATOM 710 N ASP A 49 -13.473 4.078 6.456 1.00 0.00 N ATOM 711 CA ASP A 49 -13.240 3.440 7.746 1.00 0.00 C ATOM 712 C ASP A 49 -14.409 2.537 8.126 1.00 0.00 C ATOM 713 O ASP A 49 -15.552 2.984 8.205 1.00 0.00 O ATOM 714 CB ASP A 49 -13.024 4.498 8.830 1.00 0.00 C ATOM 715 CG ASP A 49 -13.965 5.677 8.683 1.00 0.00 C ATOM 716 OD1 ASP A 49 -13.702 6.542 7.821 1.00 0.00 O ATOM 717 OD2 ASP A 49 -14.963 5.737 9.431 1.00 0.00 O ATOM 0 H ASP A 49 -13.546 5.095 6.495 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.343 2.826 7.663 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.166 4.044 9.811 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.994 4.852 8.788 1.00 0.00 H new ATOM 722 N GLY A 50 -14.114 1.261 8.358 1.00 0.00 N ATOM 723 CA GLY A 50 -15.151 0.315 8.725 1.00 0.00 C ATOM 724 C GLY A 50 -14.662 -0.728 9.710 1.00 0.00 C ATOM 725 O GLY A 50 -14.586 -0.469 10.911 1.00 0.00 O ATOM 0 H GLY A 50 -13.175 0.866 8.298 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -15.993 0.854 9.159 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -15.519 -0.182 7.827 1.00 0.00 H new ATOM 729 N ASP A 51 -14.332 -1.911 9.203 1.00 0.00 N ATOM 730 CA ASP A 51 -13.848 -2.997 10.047 1.00 0.00 C ATOM 731 C ASP A 51 -12.501 -3.512 9.551 1.00 0.00 C ATOM 732 O ASP A 51 -11.480 -3.354 10.222 1.00 0.00 O ATOM 733 CB ASP A 51 -14.865 -4.139 10.077 1.00 0.00 C ATOM 734 CG ASP A 51 -14.738 -4.995 11.322 1.00 0.00 C ATOM 735 OD1 ASP A 51 -15.235 -4.572 12.387 1.00 0.00 O ATOM 736 OD2 ASP A 51 -14.142 -6.088 11.231 1.00 0.00 O ATOM 0 H ASP A 51 -14.391 -2.142 8.211 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.718 -2.609 11.057 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -15.872 -3.726 10.025 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.731 -4.764 9.194 1.00 0.00 H new ATOM 741 N ARG A 52 -12.505 -4.128 8.374 1.00 0.00 N ATOM 742 CA ARG A 52 -11.283 -4.669 7.790 1.00 0.00 C ATOM 743 C ARG A 52 -10.360 -3.546 7.325 1.00 0.00 C ATOM 744 O ARG A 52 -9.139 -3.636 7.458 1.00 0.00 O ATOM 745 CB ARG A 52 -11.618 -5.588 6.614 1.00 0.00 C ATOM 746 CG ARG A 52 -12.079 -6.973 7.036 1.00 0.00 C ATOM 747 CD ARG A 52 -12.838 -7.672 5.919 1.00 0.00 C ATOM 748 NE ARG A 52 -12.024 -7.823 4.716 1.00 0.00 N ATOM 749 CZ ARG A 52 -12.250 -8.745 3.786 1.00 0.00 C ATOM 750 NH1 ARG A 52 -13.260 -9.593 3.921 1.00 0.00 N ATOM 751 NH2 ARG A 52 -11.465 -8.819 2.719 1.00 0.00 N ATOM 0 H ARG A 52 -13.341 -4.265 7.806 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.767 -5.246 8.558 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.398 -5.123 6.011 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -10.738 -5.685 5.978 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.216 -7.574 7.322 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.717 -6.893 7.916 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.164 -8.654 6.262 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.736 -7.103 5.680 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.239 -7.186 4.582 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.866 -9.539 4.740 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.432 -10.300 3.206 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.687 -8.168 2.612 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.639 -9.527 2.006 1.00 0.00 H new ATOM 765 N HIS A 53 -10.952 -2.488 6.779 1.00 0.00 N ATOM 766 CA HIS A 53 -10.183 -1.347 6.295 1.00 0.00 C ATOM 767 C HIS A 53 -9.943 -0.339 7.414 1.00 0.00 C ATOM 768 O HIS A 53 -10.830 -0.074 8.225 1.00 0.00 O ATOM 769 CB HIS A 53 -10.911 -0.672 5.132 1.00 0.00 C ATOM 770 CG HIS A 53 -10.821 -1.434 3.845 1.00 0.00 C ATOM 771 ND1 HIS A 53 -11.803 -2.300 3.414 1.00 0.00 N ATOM 772 CD2 HIS A 53 -9.858 -1.454 2.894 1.00 0.00 C ATOM 773 CE1 HIS A 53 -11.447 -2.822 2.253 1.00 0.00 C ATOM 774 NE2 HIS A 53 -10.271 -2.324 1.915 1.00 0.00 N ATOM 0 H HIS A 53 -11.961 -2.397 6.661 1.00 0.00 H new ATOM 0 HA HIS A 53 -9.217 -1.713 5.947 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -11.961 -0.544 5.396 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.496 0.325 4.984 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.937 -0.891 2.903 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -12.020 -3.535 1.678 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.754 -2.549 1.065 1.00 0.00 H new ATOM 783 N SER A 54 -8.737 0.219 7.453 1.00 0.00 N ATOM 784 CA SER A 54 -8.378 1.194 8.475 1.00 0.00 C ATOM 785 C SER A 54 -7.746 2.433 7.847 1.00 0.00 C ATOM 786 O SER A 54 -6.594 2.405 7.414 1.00 0.00 O ATOM 787 CB SER A 54 -7.413 0.573 9.487 1.00 0.00 C ATOM 788 OG SER A 54 -7.882 -0.689 9.931 1.00 0.00 O ATOM 0 H SER A 54 -7.992 0.012 6.788 1.00 0.00 H new ATOM 0 HA SER A 54 -9.290 1.494 8.991 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.429 0.459 9.033 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.296 1.242 10.340 1.00 0.00 H new ATOM 0 HG SER A 54 -7.247 -1.066 10.575 1.00 0.00 H new ATOM 794 N LEU A 55 -8.509 3.519 7.801 1.00 0.00 N ATOM 795 CA LEU A 55 -8.026 4.770 7.226 1.00 0.00 C ATOM 796 C LEU A 55 -7.795 5.815 8.313 1.00 0.00 C ATOM 797 O LEU A 55 -8.744 6.377 8.860 1.00 0.00 O ATOM 798 CB LEU A 55 -9.025 5.300 6.196 1.00 0.00 C ATOM 799 CG LEU A 55 -9.288 4.399 4.990 1.00 0.00 C ATOM 800 CD1 LEU A 55 -10.443 3.451 5.273 1.00 0.00 C ATOM 801 CD2 LEU A 55 -9.573 5.235 3.751 1.00 0.00 C ATOM 0 H LEU A 55 -9.465 3.559 8.155 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.075 4.571 6.731 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.974 5.483 6.701 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.666 6.263 5.833 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.394 3.804 4.804 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.615 2.818 4.403 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.200 2.827 6.133 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -11.343 4.028 5.486 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.758 4.576 2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.451 5.857 3.926 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.715 5.871 3.536 1.00 0.00 H new ATOM 813 N ARG A 56 -6.527 6.073 8.619 1.00 0.00 N ATOM 814 CA ARG A 56 -6.171 7.052 9.639 1.00 0.00 C ATOM 815 C ARG A 56 -4.849 7.733 9.300 1.00 0.00 C ATOM 816 O ARG A 56 -3.936 7.105 8.764 1.00 0.00 O ATOM 817 CB ARG A 56 -6.076 6.380 11.009 1.00 0.00 C ATOM 818 CG ARG A 56 -5.236 5.113 11.009 1.00 0.00 C ATOM 819 CD ARG A 56 -5.393 4.340 12.309 1.00 0.00 C ATOM 820 NE ARG A 56 -4.227 3.510 12.597 1.00 0.00 N ATOM 821 CZ ARG A 56 -3.031 4.002 12.900 1.00 0.00 C ATOM 822 NH1 ARG A 56 -2.845 5.314 12.954 1.00 0.00 N ATOM 823 NH2 ARG A 56 -2.018 3.183 13.150 1.00 0.00 N ATOM 0 H ARG A 56 -5.730 5.618 8.175 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.953 7.811 9.668 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.652 7.087 11.722 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.081 6.140 11.357 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.529 4.481 10.171 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.187 5.371 10.862 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.551 5.040 13.130 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.281 3.710 12.251 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.337 2.496 12.564 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.621 5.947 12.763 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.926 5.690 13.187 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.157 2.173 13.110 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.100 3.563 13.382 1.00 0.00 H new ATOM 837 N GLN A 57 -4.754 9.021 9.617 1.00 0.00 N ATOM 838 CA GLN A 57 -3.543 9.786 9.346 1.00 0.00 C ATOM 839 C GLN A 57 -3.186 10.679 10.530 1.00 0.00 C ATOM 840 O GLN A 57 -4.035 11.399 11.055 1.00 0.00 O ATOM 841 CB GLN A 57 -3.724 10.637 8.087 1.00 0.00 C ATOM 842 CG GLN A 57 -4.295 12.019 8.364 1.00 0.00 C ATOM 843 CD GLN A 57 -4.331 12.894 7.127 1.00 0.00 C ATOM 844 OE1 GLN A 57 -5.149 12.687 6.229 1.00 0.00 O ATOM 845 NE2 GLN A 57 -3.442 13.879 7.072 1.00 0.00 N ATOM 0 H GLN A 57 -5.501 9.556 10.061 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.727 9.082 9.187 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.760 10.744 7.589 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.383 10.112 7.395 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.305 11.918 8.762 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.697 12.508 9.133 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.783 14.014 7.838 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.418 14.500 6.263 1.00 0.00 H new ATOM 854 N ASP A 58 -1.926 10.625 10.945 1.00 0.00 N ATOM 855 CA ASP A 58 -1.456 11.429 12.068 1.00 0.00 C ATOM 856 C ASP A 58 -0.773 12.702 11.576 1.00 0.00 C ATOM 857 O ASP A 58 0.182 12.647 10.803 1.00 0.00 O ATOM 858 CB ASP A 58 -0.490 10.619 12.934 1.00 0.00 C ATOM 859 CG ASP A 58 -0.525 11.041 14.390 1.00 0.00 C ATOM 860 OD1 ASP A 58 0.100 12.069 14.725 1.00 0.00 O ATOM 861 OD2 ASP A 58 -1.177 10.342 15.194 1.00 0.00 O ATOM 0 H ASP A 58 -1.211 10.033 10.521 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.321 11.711 12.669 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.740 9.561 12.859 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.523 10.735 12.549 1.00 0.00 H new ATOM 866 N GLY A 59 -1.271 13.848 12.031 1.00 0.00 N ATOM 867 CA GLY A 59 -0.697 15.118 11.626 1.00 0.00 C ATOM 868 C GLY A 59 -0.569 15.243 10.121 1.00 0.00 C ATOM 869 O GLY A 59 -1.502 15.680 9.446 1.00 0.00 O ATOM 0 H GLY A 59 -2.061 13.919 12.672 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.318 15.931 12.003 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.287 15.230 12.082 1.00 0.00 H new ATOM 873 N SER A 60 0.589 14.860 9.593 1.00 0.00 N ATOM 874 CA SER A 60 0.838 14.937 8.159 1.00 0.00 C ATOM 875 C SER A 60 1.365 13.608 7.627 1.00 0.00 C ATOM 876 O SER A 60 2.260 13.576 6.782 1.00 0.00 O ATOM 877 CB SER A 60 1.837 16.054 7.852 1.00 0.00 C ATOM 878 OG SER A 60 1.375 17.301 8.344 1.00 0.00 O ATOM 0 H SER A 60 1.370 14.493 10.137 1.00 0.00 H new ATOM 0 HA SER A 60 -0.107 15.158 7.663 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.802 15.817 8.301 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.994 16.120 6.775 1.00 0.00 H new ATOM 0 HG SER A 60 2.032 17.998 8.137 1.00 0.00 H new ATOM 884 N ARG A 61 0.803 12.513 8.128 1.00 0.00 N ATOM 885 CA ARG A 61 1.217 11.180 7.706 1.00 0.00 C ATOM 886 C ARG A 61 0.008 10.268 7.523 1.00 0.00 C ATOM 887 O ARG A 61 -0.726 9.995 8.474 1.00 0.00 O ATOM 888 CB ARG A 61 2.177 10.572 8.730 1.00 0.00 C ATOM 889 CG ARG A 61 3.041 9.455 8.167 1.00 0.00 C ATOM 890 CD ARG A 61 3.445 8.465 9.248 1.00 0.00 C ATOM 891 NE ARG A 61 3.916 7.202 8.685 1.00 0.00 N ATOM 892 CZ ARG A 61 5.136 7.028 8.189 1.00 0.00 C ATOM 893 NH1 ARG A 61 6.003 8.031 8.186 1.00 0.00 N ATOM 894 NH2 ARG A 61 5.490 5.849 7.694 1.00 0.00 N ATOM 0 H ARG A 61 0.060 12.522 8.827 1.00 0.00 H new ATOM 0 HA ARG A 61 1.729 11.273 6.748 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.823 11.358 9.121 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.601 10.186 9.571 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.496 8.934 7.380 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.934 9.880 7.709 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.230 8.902 9.865 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.594 8.275 9.902 1.00 0.00 H new ATOM 0 HE ARG A 61 3.273 6.410 8.672 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.734 8.939 8.565 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.939 7.895 7.805 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.825 5.075 7.694 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.427 5.716 7.313 1.00 0.00 H new ATOM 908 N CYS A 62 -0.194 9.800 6.296 1.00 0.00 N ATOM 909 CA CYS A 62 -1.315 8.920 5.988 1.00 0.00 C ATOM 910 C CYS A 62 -0.887 7.456 6.037 1.00 0.00 C ATOM 911 O CYS A 62 0.232 7.115 5.657 1.00 0.00 O ATOM 912 CB CYS A 62 -1.886 9.250 4.608 1.00 0.00 C ATOM 913 SG CYS A 62 -1.707 10.985 4.132 1.00 0.00 S ATOM 0 H CYS A 62 0.404 10.016 5.498 1.00 0.00 H new ATOM 0 HA CYS A 62 -2.087 9.080 6.741 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.391 8.627 3.863 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.944 8.987 4.592 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.022 11.064 3.030 1.00 0.00 H new ATOM 919 N GLU A 63 -1.785 6.598 6.509 1.00 0.00 N ATOM 920 CA GLU A 63 -1.499 5.172 6.610 1.00 0.00 C ATOM 921 C GLU A 63 -2.766 4.346 6.406 1.00 0.00 C ATOM 922 O GLU A 63 -3.706 4.425 7.197 1.00 0.00 O ATOM 923 CB GLU A 63 -0.880 4.848 7.972 1.00 0.00 C ATOM 924 CG GLU A 63 0.069 3.662 7.943 1.00 0.00 C ATOM 925 CD GLU A 63 0.794 3.463 9.260 1.00 0.00 C ATOM 926 OE1 GLU A 63 0.181 2.906 10.195 1.00 0.00 O ATOM 927 OE2 GLU A 63 1.972 3.864 9.356 1.00 0.00 O ATOM 0 H GLU A 63 -2.716 6.865 6.827 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.788 4.915 5.825 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.342 5.724 8.335 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.679 4.646 8.686 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.491 2.759 7.701 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.801 3.806 7.148 1.00 0.00 H new ATOM 934 N LEU A 64 -2.784 3.556 5.338 1.00 0.00 N ATOM 935 CA LEU A 64 -3.935 2.715 5.028 1.00 0.00 C ATOM 936 C LEU A 64 -3.637 1.250 5.330 1.00 0.00 C ATOM 937 O LEU A 64 -2.526 0.773 5.098 1.00 0.00 O ATOM 938 CB LEU A 64 -4.326 2.875 3.557 1.00 0.00 C ATOM 939 CG LEU A 64 -5.371 1.891 3.030 1.00 0.00 C ATOM 940 CD1 LEU A 64 -6.726 2.158 3.667 1.00 0.00 C ATOM 941 CD2 LEU A 64 -5.466 1.976 1.514 1.00 0.00 C ATOM 0 H LEU A 64 -2.015 3.480 4.672 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.767 3.034 5.656 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.702 3.887 3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.426 2.778 2.950 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.060 0.882 3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.456 1.448 3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.648 2.045 4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.046 3.173 3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.214 1.269 1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.753 2.987 1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.498 1.733 1.075 1.00 0.00 H new ATOM 953 N GLN A 65 -4.636 0.543 5.847 1.00 0.00 N ATOM 954 CA GLN A 65 -4.480 -0.868 6.179 1.00 0.00 C ATOM 955 C GLN A 65 -5.572 -1.706 5.521 1.00 0.00 C ATOM 956 O GLN A 65 -6.751 -1.355 5.569 1.00 0.00 O ATOM 957 CB GLN A 65 -4.516 -1.064 7.696 1.00 0.00 C ATOM 958 CG GLN A 65 -3.883 -2.368 8.156 1.00 0.00 C ATOM 959 CD GLN A 65 -3.512 -2.349 9.626 1.00 0.00 C ATOM 960 OE1 GLN A 65 -4.340 -2.041 10.483 1.00 0.00 O ATOM 961 NE2 GLN A 65 -2.261 -2.680 9.925 1.00 0.00 N ATOM 0 H GLN A 65 -5.561 0.924 6.045 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.514 -1.200 5.799 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.001 -0.231 8.174 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.552 -1.034 8.034 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.575 -3.189 7.970 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.990 -2.564 7.562 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.608 -2.929 9.182 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.953 -2.686 10.898 1.00 0.00 H new ATOM 970 N ILE A 66 -5.171 -2.815 4.908 1.00 0.00 N ATOM 971 CA ILE A 66 -6.116 -3.702 4.241 1.00 0.00 C ATOM 972 C ILE A 66 -5.970 -5.136 4.740 1.00 0.00 C ATOM 973 O ILE A 66 -5.063 -5.858 4.328 1.00 0.00 O ATOM 974 CB ILE A 66 -5.926 -3.681 2.713 1.00 0.00 C ATOM 975 CG1 ILE A 66 -6.209 -2.282 2.161 1.00 0.00 C ATOM 976 CG2 ILE A 66 -6.831 -4.710 2.052 1.00 0.00 C ATOM 977 CD1 ILE A 66 -5.728 -2.084 0.741 1.00 0.00 C ATOM 0 H ILE A 66 -4.199 -3.120 4.860 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.115 -3.336 4.480 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.891 -3.938 2.487 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -7.282 -2.094 2.202 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.731 -1.543 2.804 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -6.685 -4.683 0.972 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.586 -5.704 2.426 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.871 -4.482 2.283 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.962 -1.070 0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.650 -2.239 0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.225 -2.799 0.085 1.00 0.00 H new ATOM 989 N ARG A 67 -6.870 -5.541 5.630 1.00 0.00 N ATOM 990 CA ARG A 67 -6.842 -6.889 6.186 1.00 0.00 C ATOM 991 C ARG A 67 -7.386 -7.902 5.182 1.00 0.00 C ATOM 992 O ARG A 67 -8.335 -7.620 4.453 1.00 0.00 O ATOM 993 CB ARG A 67 -7.657 -6.947 7.479 1.00 0.00 C ATOM 994 CG ARG A 67 -6.843 -6.644 8.726 1.00 0.00 C ATOM 995 CD ARG A 67 -6.850 -5.158 9.049 1.00 0.00 C ATOM 996 NE ARG A 67 -6.511 -4.899 10.445 1.00 0.00 N ATOM 997 CZ ARG A 67 -7.387 -4.973 11.441 1.00 0.00 C ATOM 998 NH1 ARG A 67 -8.649 -5.296 11.194 1.00 0.00 N ATOM 999 NH2 ARG A 67 -7.002 -4.723 12.685 1.00 0.00 N ATOM 0 H ARG A 67 -7.627 -4.955 5.982 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.805 -7.143 6.407 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.481 -6.236 7.411 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.099 -7.939 7.576 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.247 -7.203 9.570 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.816 -6.981 8.583 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.140 -4.643 8.402 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.835 -4.745 8.833 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.548 -4.647 10.668 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.949 -5.488 10.238 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.320 -5.352 11.960 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -6.032 -4.473 12.878 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -7.676 -4.780 13.449 1.00 0.00 H new ATOM 1013 N GLY A 68 -6.776 -9.083 5.152 1.00 0.00 N ATOM 1014 CA GLY A 68 -7.213 -10.120 4.235 1.00 0.00 C ATOM 1015 C GLY A 68 -6.750 -9.869 2.814 1.00 0.00 C ATOM 1016 O GLY A 68 -7.563 -9.622 1.922 1.00 0.00 O ATOM 0 H GLY A 68 -5.988 -9.340 5.746 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.832 -11.084 4.573 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.301 -10.183 4.254 1.00 0.00 H new ATOM 1020 N LEU A 69 -5.440 -9.929 2.601 1.00 0.00 N ATOM 1021 CA LEU A 69 -4.869 -9.704 1.277 1.00 0.00 C ATOM 1022 C LEU A 69 -5.290 -10.805 0.309 1.00 0.00 C ATOM 1023 O LEU A 69 -5.313 -11.983 0.665 1.00 0.00 O ATOM 1024 CB LEU A 69 -3.343 -9.640 1.363 1.00 0.00 C ATOM 1025 CG LEU A 69 -2.746 -8.272 1.693 1.00 0.00 C ATOM 1026 CD1 LEU A 69 -1.256 -8.394 1.976 1.00 0.00 C ATOM 1027 CD2 LEU A 69 -2.996 -7.292 0.556 1.00 0.00 C ATOM 0 H LEU A 69 -4.753 -10.131 3.328 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.246 -8.752 0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.012 -10.351 2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.931 -9.974 0.411 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.235 -7.890 2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.848 -7.410 2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.100 -9.061 2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.751 -8.798 1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.564 -6.324 0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.534 -7.668 -0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.069 -7.181 0.401 1.00 0.00 H new ATOM 1039 N ALA A 70 -5.619 -10.413 -0.918 1.00 0.00 N ATOM 1040 CA ALA A 70 -6.034 -11.366 -1.939 1.00 0.00 C ATOM 1041 C ALA A 70 -5.505 -10.966 -3.312 1.00 0.00 C ATOM 1042 O ALA A 70 -5.230 -9.793 -3.564 1.00 0.00 O ATOM 1043 CB ALA A 70 -7.551 -11.480 -1.969 1.00 0.00 C ATOM 0 H ALA A 70 -5.606 -9.441 -1.228 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.612 -12.338 -1.685 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.847 -12.195 -2.736 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.910 -11.821 -0.998 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.985 -10.506 -2.195 1.00 0.00 H new ATOM 1049 N VAL A 71 -5.364 -11.948 -4.196 1.00 0.00 N ATOM 1050 CA VAL A 71 -4.868 -11.698 -5.544 1.00 0.00 C ATOM 1051 C VAL A 71 -5.682 -10.611 -6.236 1.00 0.00 C ATOM 1052 O VAL A 71 -5.142 -9.799 -6.988 1.00 0.00 O ATOM 1053 CB VAL A 71 -4.904 -12.977 -6.402 1.00 0.00 C ATOM 1054 CG1 VAL A 71 -4.367 -12.699 -7.798 1.00 0.00 C ATOM 1055 CG2 VAL A 71 -4.116 -14.091 -5.730 1.00 0.00 C ATOM 0 H VAL A 71 -5.586 -12.925 -4.003 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.835 -11.366 -5.445 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.940 -13.302 -6.496 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.400 -13.614 -8.389 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.978 -11.935 -8.277 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.337 -12.349 -7.729 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.152 -14.987 -6.350 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.079 -13.778 -5.604 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.551 -14.307 -4.754 1.00 0.00 H new ATOM 1065 N VAL A 72 -6.986 -10.601 -5.978 1.00 0.00 N ATOM 1066 CA VAL A 72 -7.876 -9.613 -6.575 1.00 0.00 C ATOM 1067 C VAL A 72 -7.620 -8.224 -6.000 1.00 0.00 C ATOM 1068 O VAL A 72 -7.963 -7.214 -6.614 1.00 0.00 O ATOM 1069 CB VAL A 72 -9.355 -9.983 -6.355 1.00 0.00 C ATOM 1070 CG1 VAL A 72 -9.665 -11.335 -6.979 1.00 0.00 C ATOM 1071 CG2 VAL A 72 -9.688 -9.983 -4.871 1.00 0.00 C ATOM 0 H VAL A 72 -7.449 -11.266 -5.359 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.667 -9.605 -7.645 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.977 -9.233 -6.844 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.714 -11.580 -6.814 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.466 -11.296 -8.050 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -9.037 -12.100 -6.521 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.737 -10.246 -4.733 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.061 -10.711 -4.357 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.506 -8.991 -4.457 1.00 0.00 H new ATOM 1081 N ASP A 73 -7.016 -8.182 -4.818 1.00 0.00 N ATOM 1082 CA ASP A 73 -6.712 -6.917 -4.159 1.00 0.00 C ATOM 1083 C ASP A 73 -5.520 -6.232 -4.821 1.00 0.00 C ATOM 1084 O ASP A 73 -5.376 -5.012 -4.753 1.00 0.00 O ATOM 1085 CB ASP A 73 -6.424 -7.146 -2.675 1.00 0.00 C ATOM 1086 CG ASP A 73 -7.633 -7.672 -1.926 1.00 0.00 C ATOM 1087 OD1 ASP A 73 -8.757 -7.212 -2.216 1.00 0.00 O ATOM 1088 OD2 ASP A 73 -7.455 -8.543 -1.048 1.00 0.00 O ATOM 0 H ASP A 73 -6.727 -9.009 -4.296 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.582 -6.267 -4.256 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.601 -7.853 -2.572 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.099 -6.209 -2.222 1.00 0.00 H new ATOM 1093 N ALA A 74 -4.667 -7.027 -5.460 1.00 0.00 N ATOM 1094 CA ALA A 74 -3.488 -6.498 -6.134 1.00 0.00 C ATOM 1095 C ALA A 74 -3.881 -5.632 -7.327 1.00 0.00 C ATOM 1096 O ALA A 74 -4.305 -6.141 -8.363 1.00 0.00 O ATOM 1097 CB ALA A 74 -2.581 -7.634 -6.581 1.00 0.00 C ATOM 0 H ALA A 74 -4.771 -8.040 -5.525 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.945 -5.872 -5.426 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.705 -7.224 -7.083 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.265 -8.211 -5.712 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.123 -8.283 -7.269 1.00 0.00 H new ATOM 1103 N GLY A 75 -3.736 -4.319 -7.172 1.00 0.00 N ATOM 1104 CA GLY A 75 -4.081 -3.404 -8.244 1.00 0.00 C ATOM 1105 C GLY A 75 -3.281 -2.117 -8.188 1.00 0.00 C ATOM 1106 O GLY A 75 -2.082 -2.137 -7.912 1.00 0.00 O ATOM 0 H GLY A 75 -3.386 -3.873 -6.324 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.911 -3.893 -9.203 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.144 -3.170 -8.190 1.00 0.00 H new ATOM 1110 N GLU A 76 -3.946 -0.997 -8.452 1.00 0.00 N ATOM 1111 CA GLU A 76 -3.288 0.304 -8.432 1.00 0.00 C ATOM 1112 C GLU A 76 -4.050 1.286 -7.547 1.00 0.00 C ATOM 1113 O GLU A 76 -5.000 1.931 -7.992 1.00 0.00 O ATOM 1114 CB GLU A 76 -3.171 0.863 -9.851 1.00 0.00 C ATOM 1115 CG GLU A 76 -2.490 2.220 -9.917 1.00 0.00 C ATOM 1116 CD GLU A 76 -2.024 2.571 -11.317 1.00 0.00 C ATOM 1117 OE1 GLU A 76 -1.521 1.668 -12.018 1.00 0.00 O ATOM 1118 OE2 GLU A 76 -2.161 3.748 -11.710 1.00 0.00 O ATOM 0 H GLU A 76 -4.939 -0.964 -8.682 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.288 0.170 -8.019 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.614 0.156 -10.466 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.168 0.945 -10.283 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.180 2.986 -9.565 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.635 2.227 -9.241 1.00 0.00 H new ATOM 1125 N TYR A 77 -3.628 1.394 -6.293 1.00 0.00 N ATOM 1126 CA TYR A 77 -4.272 2.295 -5.344 1.00 0.00 C ATOM 1127 C TYR A 77 -3.957 3.750 -5.675 1.00 0.00 C ATOM 1128 O TYR A 77 -3.193 4.038 -6.596 1.00 0.00 O ATOM 1129 CB TYR A 77 -3.820 1.975 -3.918 1.00 0.00 C ATOM 1130 CG TYR A 77 -4.288 0.625 -3.422 1.00 0.00 C ATOM 1131 CD1 TYR A 77 -3.615 -0.538 -3.773 1.00 0.00 C ATOM 1132 CD2 TYR A 77 -5.405 0.514 -2.602 1.00 0.00 C ATOM 1133 CE1 TYR A 77 -4.040 -1.773 -3.324 1.00 0.00 C ATOM 1134 CE2 TYR A 77 -5.836 -0.717 -2.147 1.00 0.00 C ATOM 1135 CZ TYR A 77 -5.151 -1.857 -2.510 1.00 0.00 C ATOM 1136 OH TYR A 77 -5.576 -3.086 -2.059 1.00 0.00 O ATOM 0 H TYR A 77 -2.842 0.869 -5.909 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.350 2.150 -5.418 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.731 2.011 -3.874 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -4.192 2.748 -3.246 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.744 -0.476 -4.408 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.945 1.405 -2.316 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.506 -2.668 -3.608 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.705 -0.786 -1.510 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.567 -3.727 -2.800 1.00 0.00 H new ATOM 1146 N SER A 78 -4.551 4.665 -4.915 1.00 0.00 N ATOM 1147 CA SER A 78 -4.338 6.092 -5.128 1.00 0.00 C ATOM 1148 C SER A 78 -4.714 6.889 -3.883 1.00 0.00 C ATOM 1149 O SER A 78 -5.679 6.563 -3.192 1.00 0.00 O ATOM 1150 CB SER A 78 -5.156 6.578 -6.326 1.00 0.00 C ATOM 1151 OG SER A 78 -4.959 5.741 -7.452 1.00 0.00 O ATOM 0 H SER A 78 -5.184 4.443 -4.146 1.00 0.00 H new ATOM 0 HA SER A 78 -3.279 6.250 -5.333 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.214 6.597 -6.064 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.870 7.600 -6.575 1.00 0.00 H new ATOM 0 HG SER A 78 -4.096 5.283 -7.372 1.00 0.00 H new ATOM 1157 N CYS A 79 -3.945 7.936 -3.605 1.00 0.00 N ATOM 1158 CA CYS A 79 -4.196 8.781 -2.442 1.00 0.00 C ATOM 1159 C CYS A 79 -4.119 10.257 -2.817 1.00 0.00 C ATOM 1160 O CYS A 79 -3.044 10.779 -3.113 1.00 0.00 O ATOM 1161 CB CYS A 79 -3.189 8.471 -1.334 1.00 0.00 C ATOM 1162 SG CYS A 79 -3.771 8.882 0.328 1.00 0.00 S ATOM 0 H CYS A 79 -3.143 8.220 -4.168 1.00 0.00 H new ATOM 0 HA CYS A 79 -5.202 8.569 -2.079 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.942 7.410 -1.369 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.268 9.020 -1.531 1.00 0.00 H new ATOM 0 HG CYS A 79 -4.017 7.787 0.985 1.00 0.00 H new ATOM 1168 N VAL A 80 -5.268 10.926 -2.804 1.00 0.00 N ATOM 1169 CA VAL A 80 -5.332 12.343 -3.143 1.00 0.00 C ATOM 1170 C VAL A 80 -5.960 13.150 -2.013 1.00 0.00 C ATOM 1171 O VAL A 80 -7.037 12.813 -1.519 1.00 0.00 O ATOM 1172 CB VAL A 80 -6.138 12.575 -4.435 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -7.338 11.642 -4.491 1.00 0.00 C ATOM 1174 CG2 VAL A 80 -6.577 14.028 -4.534 1.00 0.00 C ATOM 0 H VAL A 80 -6.167 10.509 -2.562 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.307 12.678 -3.298 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.496 12.354 -5.288 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.895 11.821 -5.411 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.996 10.607 -4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.984 11.829 -3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.145 14.175 -5.453 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.202 14.278 -3.677 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.699 14.674 -4.544 1.00 0.00 H new ATOM 1184 N CYS A 81 -5.281 14.218 -1.608 1.00 0.00 N ATOM 1185 CA CYS A 81 -5.772 15.075 -0.535 1.00 0.00 C ATOM 1186 C CYS A 81 -6.715 16.142 -1.080 1.00 0.00 C ATOM 1187 O CYS A 81 -7.780 16.390 -0.516 1.00 0.00 O ATOM 1188 CB CYS A 81 -4.601 15.736 0.194 1.00 0.00 C ATOM 1189 SG CYS A 81 -3.727 16.978 -0.787 1.00 0.00 S ATOM 0 H CYS A 81 -4.389 14.511 -2.007 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.325 14.453 0.169 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -4.972 16.204 1.106 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -3.893 14.964 0.497 1.00 0.00 H new ATOM 0 HG CYS A 81 -3.596 16.553 -2.008 1.00 0.00 H new ATOM 1195 N GLY A 82 -6.315 16.772 -2.180 1.00 0.00 N ATOM 1196 CA GLY A 82 -7.136 17.807 -2.782 1.00 0.00 C ATOM 1197 C GLY A 82 -7.011 17.840 -4.293 1.00 0.00 C ATOM 1198 O GLY A 82 -7.905 17.384 -5.005 1.00 0.00 O ATOM 0 H GLY A 82 -5.438 16.585 -2.665 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.179 17.643 -2.510 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.849 18.777 -2.375 1.00 0.00 H new ATOM 1202 N GLN A 83 -5.900 18.382 -4.782 1.00 0.00 N ATOM 1203 CA GLN A 83 -5.664 18.475 -6.218 1.00 0.00 C ATOM 1204 C GLN A 83 -4.730 17.365 -6.688 1.00 0.00 C ATOM 1205 O GLN A 83 -4.972 16.732 -7.715 1.00 0.00 O ATOM 1206 CB GLN A 83 -5.073 19.841 -6.571 1.00 0.00 C ATOM 1207 CG GLN A 83 -4.760 20.004 -8.050 1.00 0.00 C ATOM 1208 CD GLN A 83 -5.974 20.409 -8.862 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -7.080 19.916 -8.636 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -5.775 21.313 -9.814 1.00 0.00 N ATOM 0 H GLN A 83 -5.150 18.763 -4.205 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.621 18.359 -6.727 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -5.773 20.620 -6.268 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -4.160 19.992 -5.996 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -3.979 20.755 -8.172 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.364 19.066 -8.439 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.842 21.695 -9.967 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -6.555 21.625 -10.392 1.00 0.00 H new ATOM 1219 N GLU A 84 -3.662 17.137 -5.931 1.00 0.00 N ATOM 1220 CA GLU A 84 -2.691 16.104 -6.272 1.00 0.00 C ATOM 1221 C GLU A 84 -3.268 14.712 -6.030 1.00 0.00 C ATOM 1222 O GLU A 84 -4.081 14.515 -5.126 1.00 0.00 O ATOM 1223 CB GLU A 84 -1.410 16.286 -5.455 1.00 0.00 C ATOM 1224 CG GLU A 84 -0.770 17.654 -5.624 1.00 0.00 C ATOM 1225 CD GLU A 84 -0.306 17.909 -7.045 1.00 0.00 C ATOM 1226 OE1 GLU A 84 0.743 17.355 -7.434 1.00 0.00 O ATOM 1227 OE2 GLU A 84 -0.991 18.663 -7.767 1.00 0.00 O ATOM 0 H GLU A 84 -3.447 17.653 -5.078 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.454 16.201 -7.332 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.636 16.128 -4.401 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.692 15.520 -5.746 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.486 18.424 -5.336 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.080 17.739 -4.947 1.00 0.00 H new ATOM 1234 N ARG A 85 -2.842 13.751 -6.843 1.00 0.00 N ATOM 1235 CA ARG A 85 -3.318 12.379 -6.719 1.00 0.00 C ATOM 1236 C ARG A 85 -2.243 11.389 -7.158 1.00 0.00 C ATOM 1237 O ARG A 85 -1.926 11.284 -8.343 1.00 0.00 O ATOM 1238 CB ARG A 85 -4.584 12.177 -7.554 1.00 0.00 C ATOM 1239 CG ARG A 85 -5.139 10.764 -7.487 1.00 0.00 C ATOM 1240 CD ARG A 85 -6.237 10.548 -8.516 1.00 0.00 C ATOM 1241 NE ARG A 85 -5.748 10.718 -9.882 1.00 0.00 N ATOM 1242 CZ ARG A 85 -4.990 9.825 -10.508 1.00 0.00 C ATOM 1243 NH1 ARG A 85 -4.635 8.705 -9.894 1.00 0.00 N ATOM 1244 NH2 ARG A 85 -4.584 10.052 -11.751 1.00 0.00 N ATOM 0 H ARG A 85 -2.168 13.897 -7.595 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.551 12.196 -5.670 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.349 12.875 -7.214 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.367 12.424 -8.593 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -4.335 10.048 -7.655 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.532 10.573 -6.488 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.650 9.546 -8.401 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -7.050 11.251 -8.332 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.003 11.569 -10.383 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -4.944 8.527 -8.938 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -4.053 8.021 -10.377 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.854 10.913 -12.227 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.002 9.365 -12.231 1.00 0.00 H new ATOM 1258 N THR A 86 -1.683 10.664 -6.194 1.00 0.00 N ATOM 1259 CA THR A 86 -0.643 9.685 -6.480 1.00 0.00 C ATOM 1260 C THR A 86 -1.243 8.313 -6.768 1.00 0.00 C ATOM 1261 O THR A 86 -2.453 8.117 -6.648 1.00 0.00 O ATOM 1262 CB THR A 86 0.350 9.562 -5.309 1.00 0.00 C ATOM 1263 OG1 THR A 86 1.451 8.727 -5.686 1.00 0.00 O ATOM 1264 CG2 THR A 86 -0.332 8.985 -4.078 1.00 0.00 C ATOM 0 H THR A 86 -1.933 10.737 -5.208 1.00 0.00 H new ATOM 0 HA THR A 86 -0.111 10.039 -7.363 1.00 0.00 H new ATOM 0 HB THR A 86 0.717 10.560 -5.067 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.079 8.655 -4.937 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.390 8.908 -3.265 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.151 9.638 -3.776 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.724 7.995 -4.310 1.00 0.00 H new ATOM 1272 N SER A 87 -0.391 7.367 -7.148 1.00 0.00 N ATOM 1273 CA SER A 87 -0.838 6.014 -7.456 1.00 0.00 C ATOM 1274 C SER A 87 0.316 5.022 -7.345 1.00 0.00 C ATOM 1275 O SER A 87 1.438 5.309 -7.760 1.00 0.00 O ATOM 1276 CB SER A 87 -1.438 5.960 -8.863 1.00 0.00 C ATOM 1277 OG SER A 87 -0.631 6.666 -9.789 1.00 0.00 O ATOM 0 H SER A 87 0.613 7.513 -7.250 1.00 0.00 H new ATOM 0 HA SER A 87 -1.604 5.737 -6.731 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.537 4.922 -9.180 1.00 0.00 H new ATOM 0 HB3 SER A 87 -2.441 6.387 -8.851 1.00 0.00 H new ATOM 0 HG SER A 87 -1.035 6.615 -10.680 1.00 0.00 H new ATOM 1283 N ALA A 88 0.030 3.853 -6.782 1.00 0.00 N ATOM 1284 CA ALA A 88 1.042 2.816 -6.617 1.00 0.00 C ATOM 1285 C ALA A 88 0.441 1.427 -6.804 1.00 0.00 C ATOM 1286 O ALA A 88 -0.639 1.132 -6.291 1.00 0.00 O ATOM 1287 CB ALA A 88 1.696 2.930 -5.248 1.00 0.00 C ATOM 0 H ALA A 88 -0.894 3.600 -6.432 1.00 0.00 H new ATOM 0 HA ALA A 88 1.803 2.960 -7.384 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.449 2.150 -5.139 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.169 3.907 -5.151 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.939 2.815 -4.472 1.00 0.00 H new ATOM 1293 N THR A 89 1.146 0.577 -7.543 1.00 0.00 N ATOM 1294 CA THR A 89 0.681 -0.781 -7.800 1.00 0.00 C ATOM 1295 C THR A 89 0.878 -1.669 -6.577 1.00 0.00 C ATOM 1296 O THR A 89 1.751 -1.415 -5.746 1.00 0.00 O ATOM 1297 CB THR A 89 1.415 -1.408 -9.000 1.00 0.00 C ATOM 1298 OG1 THR A 89 1.586 -0.433 -10.034 1.00 0.00 O ATOM 1299 CG2 THR A 89 0.643 -2.601 -9.542 1.00 0.00 C ATOM 0 H THR A 89 2.042 0.805 -7.975 1.00 0.00 H new ATOM 0 HA THR A 89 -0.382 -0.714 -8.029 1.00 0.00 H new ATOM 0 HB THR A 89 2.392 -1.751 -8.661 1.00 0.00 H new ATOM 0 HG1 THR A 89 2.055 -0.839 -10.792 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.180 -3.028 -10.389 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.541 -3.354 -8.760 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.346 -2.278 -9.866 1.00 0.00 H new ATOM 1307 N LEU A 90 0.062 -2.712 -6.472 1.00 0.00 N ATOM 1308 CA LEU A 90 0.147 -3.640 -5.350 1.00 0.00 C ATOM 1309 C LEU A 90 0.469 -5.051 -5.833 1.00 0.00 C ATOM 1310 O LEU A 90 -0.147 -5.553 -6.773 1.00 0.00 O ATOM 1311 CB LEU A 90 -1.167 -3.645 -4.566 1.00 0.00 C ATOM 1312 CG LEU A 90 -1.107 -4.243 -3.160 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -0.997 -5.758 -3.228 1.00 0.00 C ATOM 1314 CD2 LEU A 90 0.060 -3.656 -2.380 1.00 0.00 C ATOM 0 H LEU A 90 -0.666 -2.936 -7.150 1.00 0.00 H new ATOM 0 HA LEU A 90 0.953 -3.307 -4.696 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.524 -2.618 -4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.909 -4.197 -5.143 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.030 -3.990 -2.639 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.955 -6.165 -2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.866 -6.163 -3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.091 -6.033 -3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.087 -4.093 -1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.993 -3.878 -2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.063 -2.576 -2.300 1.00 0.00 H new ATOM 1326 N THR A 91 1.437 -5.688 -5.181 1.00 0.00 N ATOM 1327 CA THR A 91 1.840 -7.040 -5.543 1.00 0.00 C ATOM 1328 C THR A 91 1.528 -8.025 -4.422 1.00 0.00 C ATOM 1329 O THR A 91 2.095 -7.941 -3.332 1.00 0.00 O ATOM 1330 CB THR A 91 3.344 -7.110 -5.868 1.00 0.00 C ATOM 1331 OG1 THR A 91 3.653 -6.226 -6.951 1.00 0.00 O ATOM 1332 CG2 THR A 91 3.753 -8.529 -6.234 1.00 0.00 C ATOM 0 H THR A 91 1.956 -5.288 -4.399 1.00 0.00 H new ATOM 0 HA THR A 91 1.271 -7.312 -6.432 1.00 0.00 H new ATOM 0 HB THR A 91 3.899 -6.805 -4.981 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.611 -6.275 -7.150 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.819 -8.554 -6.459 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.544 -9.195 -5.397 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.190 -8.856 -7.108 1.00 0.00 H new ATOM 1340 N VAL A 92 0.623 -8.960 -4.696 1.00 0.00 N ATOM 1341 CA VAL A 92 0.237 -9.963 -3.711 1.00 0.00 C ATOM 1342 C VAL A 92 0.705 -11.352 -4.129 1.00 0.00 C ATOM 1343 O VAL A 92 0.106 -11.984 -4.999 1.00 0.00 O ATOM 1344 CB VAL A 92 -1.289 -9.988 -3.504 1.00 0.00 C ATOM 1345 CG1 VAL A 92 -1.680 -11.106 -2.550 1.00 0.00 C ATOM 1346 CG2 VAL A 92 -1.778 -8.642 -2.990 1.00 0.00 C ATOM 0 H VAL A 92 0.144 -9.043 -5.592 1.00 0.00 H new ATOM 0 HA VAL A 92 0.719 -9.687 -2.773 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.766 -10.180 -4.465 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.762 -11.108 -2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.364 -12.064 -2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.195 -10.948 -1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.858 -8.677 -2.849 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.295 -8.419 -2.039 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.531 -7.865 -3.713 1.00 0.00 H new ATOM 1356 N ARG A 93 1.779 -11.822 -3.503 1.00 0.00 N ATOM 1357 CA ARG A 93 2.328 -13.137 -3.810 1.00 0.00 C ATOM 1358 C ARG A 93 1.481 -14.241 -3.183 1.00 0.00 C ATOM 1359 O ARG A 93 1.499 -14.436 -1.968 1.00 0.00 O ATOM 1360 CB ARG A 93 3.770 -13.241 -3.310 1.00 0.00 C ATOM 1361 CG ARG A 93 4.747 -12.370 -4.083 1.00 0.00 C ATOM 1362 CD ARG A 93 4.983 -12.908 -5.486 1.00 0.00 C ATOM 1363 NE ARG A 93 5.821 -14.104 -5.480 1.00 0.00 N ATOM 1364 CZ ARG A 93 5.339 -15.338 -5.383 1.00 0.00 C ATOM 1365 NH1 ARG A 93 4.032 -15.538 -5.286 1.00 0.00 N ATOM 1366 NH2 ARG A 93 6.165 -16.377 -5.384 1.00 0.00 N ATOM 0 H ARG A 93 2.286 -11.312 -2.780 1.00 0.00 H new ATOM 0 HA ARG A 93 2.315 -13.263 -4.893 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.802 -12.961 -2.257 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.094 -14.280 -3.374 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.361 -11.352 -4.142 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.695 -12.320 -3.547 1.00 0.00 H new ATOM 0 HD2 ARG A 93 4.025 -13.139 -5.951 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.456 -12.137 -6.095 1.00 0.00 H new ATOM 0 HE ARG A 93 6.831 -13.985 -5.554 1.00 0.00 H new ATOM 0 HH11 ARG A 93 3.393 -14.743 -5.286 1.00 0.00 H new ATOM 0 HH12 ARG A 93 3.665 -16.487 -5.212 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.171 -16.228 -5.459 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.793 -17.324 -5.309 1.00 0.00 H new ATOM 1380 N ALA A 94 0.738 -14.957 -4.020 1.00 0.00 N ATOM 1381 CA ALA A 94 -0.115 -16.041 -3.548 1.00 0.00 C ATOM 1382 C ALA A 94 0.629 -16.936 -2.563 1.00 0.00 C ATOM 1383 O ALA A 94 1.757 -17.358 -2.822 1.00 0.00 O ATOM 1384 CB ALA A 94 -0.627 -16.859 -4.724 1.00 0.00 C ATOM 0 H ALA A 94 0.709 -14.806 -5.028 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.966 -15.601 -3.027 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -1.263 -17.665 -4.357 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.203 -16.217 -5.390 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.217 -17.282 -5.268 1.00 0.00 H new ATOM 1390 N LEU A 95 -0.008 -17.222 -1.433 1.00 0.00 N ATOM 1391 CA LEU A 95 0.594 -18.067 -0.408 1.00 0.00 C ATOM 1392 C LEU A 95 0.976 -19.429 -0.980 1.00 0.00 C ATOM 1393 O LEU A 95 0.286 -19.987 -1.833 1.00 0.00 O ATOM 1394 CB LEU A 95 -0.371 -18.246 0.765 1.00 0.00 C ATOM 1395 CG LEU A 95 -0.518 -17.048 1.703 1.00 0.00 C ATOM 1396 CD1 LEU A 95 -1.849 -17.104 2.436 1.00 0.00 C ATOM 1397 CD2 LEU A 95 0.637 -17.001 2.693 1.00 0.00 C ATOM 0 H LEU A 95 -0.941 -16.881 -1.203 1.00 0.00 H new ATOM 0 HA LEU A 95 1.500 -17.576 -0.053 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.355 -18.492 0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.042 -19.103 1.352 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.495 -16.137 1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.936 -16.243 3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.664 -17.088 1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.903 -18.021 3.023 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.516 -16.142 3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.645 -17.916 3.286 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.578 -16.912 2.150 1.00 0.00 H new ATOM 1409 N PRO A 96 2.101 -19.978 -0.498 1.00 0.00 N ATOM 1410 CA PRO A 96 2.599 -21.282 -0.945 1.00 0.00 C ATOM 1411 C PRO A 96 1.718 -22.433 -0.472 1.00 0.00 C ATOM 1412 O PRO A 96 1.586 -22.673 0.728 1.00 0.00 O ATOM 1413 CB PRO A 96 3.986 -21.372 -0.303 1.00 0.00 C ATOM 1414 CG PRO A 96 3.907 -20.487 0.892 1.00 0.00 C ATOM 1415 CD PRO A 96 2.973 -19.369 0.520 1.00 0.00 C ATOM 0 HA PRO A 96 2.611 -21.362 -2.032 1.00 0.00 H new ATOM 0 HB2 PRO A 96 4.226 -22.397 -0.021 1.00 0.00 H new ATOM 0 HB3 PRO A 96 4.763 -21.040 -0.991 1.00 0.00 H new ATOM 0 HG2 PRO A 96 3.535 -21.034 1.758 1.00 0.00 H new ATOM 0 HG3 PRO A 96 4.891 -20.101 1.157 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.403 -19.019 1.380 1.00 0.00 H new ATOM 0 HD3 PRO A 96 3.513 -18.509 0.124 1.00 0.00 H new ATOM 1423 N ALA A 97 1.116 -23.142 -1.421 1.00 0.00 N ATOM 1424 CA ALA A 97 0.250 -24.269 -1.100 1.00 0.00 C ATOM 1425 C ALA A 97 0.961 -25.595 -1.343 1.00 0.00 C ATOM 1426 O ALA A 97 0.763 -26.238 -2.374 1.00 0.00 O ATOM 1427 CB ALA A 97 -1.032 -24.199 -1.918 1.00 0.00 C ATOM 0 H ALA A 97 1.212 -22.955 -2.419 1.00 0.00 H new ATOM 0 HA ALA A 97 -0.003 -24.211 -0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.670 -25.047 -1.668 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.557 -23.271 -1.692 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -0.788 -24.229 -2.980 1.00 0.00 H new ATOM 1433 N ARG A 98 1.791 -26.000 -0.386 1.00 0.00 N ATOM 1434 CA ARG A 98 2.534 -27.249 -0.497 1.00 0.00 C ATOM 1435 C ARG A 98 2.559 -27.987 0.838 1.00 0.00 C ATOM 1436 O ARG A 98 2.975 -27.435 1.857 1.00 0.00 O ATOM 1437 CB ARG A 98 3.964 -26.977 -0.969 1.00 0.00 C ATOM 1438 CG ARG A 98 4.039 -26.123 -2.224 1.00 0.00 C ATOM 1439 CD ARG A 98 5.444 -26.110 -2.805 1.00 0.00 C ATOM 1440 NE ARG A 98 5.764 -27.357 -3.493 1.00 0.00 N ATOM 1441 CZ ARG A 98 6.870 -27.540 -4.207 1.00 0.00 C ATOM 1442 NH1 ARG A 98 7.757 -26.562 -4.324 1.00 0.00 N ATOM 1443 NH2 ARG A 98 7.090 -28.704 -4.804 1.00 0.00 N ATOM 0 H ARG A 98 1.965 -25.481 0.474 1.00 0.00 H new ATOM 0 HA ARG A 98 2.030 -27.878 -1.231 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.514 -26.481 -0.169 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.463 -27.928 -1.156 1.00 0.00 H new ATOM 0 HG2 ARG A 98 3.340 -26.505 -2.968 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.731 -25.104 -1.991 1.00 0.00 H new ATOM 0 HD2 ARG A 98 5.540 -25.277 -3.501 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.165 -25.942 -2.005 1.00 0.00 H new ATOM 0 HE ARG A 98 5.103 -28.130 -3.422 1.00 0.00 H new ATOM 0 HH11 ARG A 98 7.592 -25.666 -3.865 1.00 0.00 H new ATOM 0 HH12 ARG A 98 8.605 -26.705 -4.873 1.00 0.00 H new ATOM 0 HH21 ARG A 98 6.410 -29.459 -4.715 1.00 0.00 H new ATOM 0 HH22 ARG A 98 7.939 -28.844 -5.352 1.00 0.00 H new ATOM 1457 N PHE A 99 2.112 -29.238 0.825 1.00 0.00 N ATOM 1458 CA PHE A 99 2.081 -30.052 2.035 1.00 0.00 C ATOM 1459 C PHE A 99 3.479 -30.548 2.392 1.00 0.00 C ATOM 1460 O PHE A 99 4.066 -31.355 1.670 1.00 0.00 O ATOM 1461 CB PHE A 99 1.136 -31.241 1.852 1.00 0.00 C ATOM 1462 CG PHE A 99 0.551 -31.746 3.140 1.00 0.00 C ATOM 1463 CD1 PHE A 99 1.373 -32.175 4.169 1.00 0.00 C ATOM 1464 CD2 PHE A 99 -0.822 -31.792 3.320 1.00 0.00 C ATOM 1465 CE1 PHE A 99 0.837 -32.640 5.355 1.00 0.00 C ATOM 1466 CE2 PHE A 99 -1.364 -32.255 4.505 1.00 0.00 C ATOM 1467 CZ PHE A 99 -0.533 -32.680 5.523 1.00 0.00 C ATOM 0 H PHE A 99 1.766 -29.711 -0.010 1.00 0.00 H new ATOM 0 HA PHE A 99 1.716 -29.430 2.852 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.326 -30.951 1.183 1.00 0.00 H new ATOM 0 HB3 PHE A 99 1.676 -32.053 1.365 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.445 -32.146 4.043 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.476 -31.463 2.526 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.489 -32.972 6.150 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.436 -32.284 4.634 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.954 -33.043 6.449 1.00 0.00 H new ATOM 1477 N ILE A 100 4.006 -30.061 3.510 1.00 0.00 N ATOM 1478 CA ILE A 100 5.334 -30.455 3.963 1.00 0.00 C ATOM 1479 C ILE A 100 5.310 -31.842 4.595 1.00 0.00 C ATOM 1480 O ILE A 100 4.595 -32.079 5.568 1.00 0.00 O ATOM 1481 CB ILE A 100 5.903 -29.449 4.981 1.00 0.00 C ATOM 1482 CG1 ILE A 100 5.980 -28.052 4.362 1.00 0.00 C ATOM 1483 CG2 ILE A 100 7.276 -29.898 5.459 1.00 0.00 C ATOM 1484 CD1 ILE A 100 6.110 -26.944 5.384 1.00 0.00 C ATOM 0 H ILE A 100 3.534 -29.393 4.119 1.00 0.00 H new ATOM 0 HA ILE A 100 5.976 -30.471 3.082 1.00 0.00 H new ATOM 0 HB ILE A 100 5.235 -29.409 5.841 1.00 0.00 H new ATOM 0 HG12 ILE A 100 6.832 -28.011 3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.086 -27.879 3.763 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.665 -29.177 6.178 1.00 0.00 H new ATOM 0 HG22 ILE A 100 7.194 -30.876 5.934 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.954 -29.964 4.608 1.00 0.00 H new ATOM 0 HD11 ILE A 100 6.159 -25.982 4.874 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.246 -26.959 6.048 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.019 -27.092 5.967 1.00 0.00 H new ATOM 1496 N GLU A 101 6.099 -32.755 4.036 1.00 0.00 N ATOM 1497 CA GLU A 101 6.168 -34.119 4.547 1.00 0.00 C ATOM 1498 C GLU A 101 7.383 -34.850 3.983 1.00 0.00 C ATOM 1499 O GLU A 101 7.717 -34.706 2.806 1.00 0.00 O ATOM 1500 CB GLU A 101 4.890 -34.884 4.195 1.00 0.00 C ATOM 1501 CG GLU A 101 4.607 -36.054 5.122 1.00 0.00 C ATOM 1502 CD GLU A 101 3.424 -36.886 4.667 1.00 0.00 C ATOM 1503 OE1 GLU A 101 2.501 -36.317 4.047 1.00 0.00 O ATOM 1504 OE2 GLU A 101 3.421 -38.107 4.932 1.00 0.00 O ATOM 0 H GLU A 101 6.698 -32.575 3.231 1.00 0.00 H new ATOM 0 HA GLU A 101 6.266 -34.069 5.631 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.045 -34.196 4.224 1.00 0.00 H new ATOM 0 HB3 GLU A 101 4.967 -35.252 3.172 1.00 0.00 H new ATOM 0 HG2 GLU A 101 5.491 -36.688 5.181 1.00 0.00 H new ATOM 0 HG3 GLU A 101 4.417 -35.678 6.127 1.00 0.00 H new ATOM 1511 N SER A 102 8.041 -35.634 4.831 1.00 0.00 N ATOM 1512 CA SER A 102 9.222 -36.384 4.419 1.00 0.00 C ATOM 1513 C SER A 102 8.918 -37.878 4.347 1.00 0.00 C ATOM 1514 O SER A 102 7.874 -38.334 4.811 1.00 0.00 O ATOM 1515 CB SER A 102 10.376 -36.133 5.391 1.00 0.00 C ATOM 1516 OG SER A 102 11.628 -36.301 4.750 1.00 0.00 O ATOM 0 H SER A 102 7.777 -35.766 5.807 1.00 0.00 H new ATOM 0 HA SER A 102 9.512 -36.041 3.426 1.00 0.00 H new ATOM 0 HB2 SER A 102 10.303 -35.123 5.794 1.00 0.00 H new ATOM 0 HB3 SER A 102 10.301 -36.819 6.235 1.00 0.00 H new ATOM 0 HG SER A 102 12.349 -36.133 5.392 1.00 0.00 H new ATOM 1522 N GLY A 103 9.841 -38.635 3.761 1.00 0.00 N ATOM 1523 CA GLY A 103 9.654 -40.069 3.637 1.00 0.00 C ATOM 1524 C GLY A 103 10.320 -40.839 4.761 1.00 0.00 C ATOM 1525 O GLY A 103 11.378 -40.458 5.262 1.00 0.00 O ATOM 0 H GLY A 103 10.714 -38.281 3.370 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.588 -40.294 3.628 1.00 0.00 H new ATOM 0 HA3 GLY A 103 10.058 -40.404 2.682 1.00 0.00 H new ATOM 1529 N PRO A 104 9.692 -41.949 5.176 1.00 0.00 N ATOM 1530 CA PRO A 104 10.211 -42.797 6.253 1.00 0.00 C ATOM 1531 C PRO A 104 11.475 -43.546 5.843 1.00 0.00 C ATOM 1532 O PRO A 104 11.437 -44.416 4.972 1.00 0.00 O ATOM 1533 CB PRO A 104 9.067 -43.780 6.513 1.00 0.00 C ATOM 1534 CG PRO A 104 8.315 -43.836 5.228 1.00 0.00 C ATOM 1535 CD PRO A 104 8.427 -42.463 4.624 1.00 0.00 C ATOM 0 HA PRO A 104 10.498 -42.214 7.129 1.00 0.00 H new ATOM 0 HB2 PRO A 104 9.446 -44.763 6.793 1.00 0.00 H new ATOM 0 HB3 PRO A 104 8.430 -43.439 7.330 1.00 0.00 H new ATOM 0 HG2 PRO A 104 8.734 -44.591 4.563 1.00 0.00 H new ATOM 0 HG3 PRO A 104 7.272 -44.104 5.397 1.00 0.00 H new ATOM 0 HD2 PRO A 104 8.451 -42.504 3.535 1.00 0.00 H new ATOM 0 HD3 PRO A 104 7.582 -41.832 4.901 1.00 0.00 H new ATOM 1543 N SER A 105 12.592 -43.204 6.476 1.00 0.00 N ATOM 1544 CA SER A 105 13.868 -43.842 6.175 1.00 0.00 C ATOM 1545 C SER A 105 13.903 -45.268 6.716 1.00 0.00 C ATOM 1546 O SER A 105 13.931 -45.483 7.928 1.00 0.00 O ATOM 1547 CB SER A 105 15.021 -43.031 6.768 1.00 0.00 C ATOM 1548 OG SER A 105 15.367 -41.945 5.926 1.00 0.00 O ATOM 0 H SER A 105 12.639 -42.488 7.201 1.00 0.00 H new ATOM 0 HA SER A 105 13.980 -43.880 5.091 1.00 0.00 H new ATOM 0 HB2 SER A 105 14.738 -42.657 7.752 1.00 0.00 H new ATOM 0 HB3 SER A 105 15.888 -43.676 6.910 1.00 0.00 H new ATOM 0 HG SER A 105 16.105 -41.441 6.328 1.00 0.00 H new ATOM 1554 N SER A 106 13.902 -46.239 5.809 1.00 0.00 N ATOM 1555 CA SER A 106 13.930 -47.646 6.194 1.00 0.00 C ATOM 1556 C SER A 106 15.282 -48.017 6.796 1.00 0.00 C ATOM 1557 O SER A 106 16.314 -47.462 6.422 1.00 0.00 O ATOM 1558 CB SER A 106 13.637 -48.534 4.983 1.00 0.00 C ATOM 1559 OG SER A 106 13.015 -49.744 5.377 1.00 0.00 O ATOM 0 H SER A 106 13.882 -46.078 4.802 1.00 0.00 H new ATOM 0 HA SER A 106 13.159 -47.807 6.948 1.00 0.00 H new ATOM 0 HB2 SER A 106 12.992 -48.001 4.284 1.00 0.00 H new ATOM 0 HB3 SER A 106 14.565 -48.754 4.456 1.00 0.00 H new ATOM 0 HG SER A 106 12.837 -50.293 4.585 1.00 0.00 H new ATOM 1565 N GLY A 107 15.267 -48.962 7.731 1.00 0.00 N ATOM 1566 CA GLY A 107 16.496 -49.392 8.371 1.00 0.00 C ATOM 1567 C GLY A 107 17.369 -48.227 8.792 1.00 0.00 C ATOM 1568 O GLY A 107 16.980 -47.427 9.643 1.00 0.00 O ATOM 0 H GLY A 107 14.425 -49.437 8.057 1.00 0.00 H new ATOM 0 HA2 GLY A 107 16.254 -49.996 9.246 1.00 0.00 H new ATOM 0 HA3 GLY A 107 17.054 -50.031 7.687 1.00 0.00 H new TER 1572 GLY A 107