USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 573 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 SER OG : rot -81:sc= 0.858 USER MOD Set 1.2: A 52 GLN : amide:sc= -1.25 K(o=-0.39,f=-3.6!) USER MOD Set 2.1: A 35 MET CE :methyl -170:sc= 0 (180deg=-0.106) USER MOD Set 2.2: A 36 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 26 THR OG1 : rot -65:sc= 0.755 USER MOD Set 3.2: A 58 HIS : no HE2:sc= -3.88! C(o=-3.1!,f=-5.9!) USER MOD Set 4.1: A 11 LYS NZ :NH3+ -147:sc= -0.0329 (180deg=-0.153) USER MOD Set 4.2: A 13 LYS NZ :NH3+ -175:sc= -0.224 (180deg=-0.319) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0626 (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 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -5:sc= -0.745 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 42 LYS NZ :NH3+ 179:sc= 0.574 (180deg=0.568) USER MOD Single : A 46 HIS : no HE2:sc= -2.61! X(o=-2.6!,f=-2.6) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 85:sc= 0.467 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0761 X(o=-0.076,f=-0.48) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 33:sc= 0.303 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.507 -8.086 14.201 1.00 0.00 N ATOM 2 CA GLY A 1 23.216 -8.058 13.539 1.00 0.00 C ATOM 3 C GLY A 1 23.316 -8.376 12.060 1.00 0.00 C ATOM 4 O GLY A 1 24.321 -8.918 11.601 1.00 0.00 O ATOM 0 H1 GLY A 1 24.474 -8.754 14.998 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.237 -8.389 13.525 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.736 -7.135 14.555 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.550 -8.776 14.018 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.767 -7.073 13.666 1.00 0.00 H new ATOM 8 N SER A 2 22.271 -8.038 11.311 1.00 0.00 N ATOM 9 CA SER A 2 22.243 -8.295 9.876 1.00 0.00 C ATOM 10 C SER A 2 22.900 -9.633 9.552 1.00 0.00 C ATOM 11 O SER A 2 23.654 -9.749 8.586 1.00 0.00 O ATOM 12 CB SER A 2 22.952 -7.169 9.121 1.00 0.00 C ATOM 13 OG SER A 2 22.109 -6.039 8.982 1.00 0.00 O ATOM 0 H SER A 2 21.432 -7.585 11.675 1.00 0.00 H new ATOM 0 HA SER A 2 21.201 -8.335 9.559 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.860 -6.886 9.653 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.257 -7.523 8.136 1.00 0.00 H new ATOM 0 HG SER A 2 22.586 -5.333 8.498 1.00 0.00 H new ATOM 19 N SER A 3 22.607 -10.642 10.366 1.00 0.00 N ATOM 20 CA SER A 3 23.172 -11.972 10.169 1.00 0.00 C ATOM 21 C SER A 3 22.777 -12.534 8.807 1.00 0.00 C ATOM 22 O SER A 3 23.628 -12.959 8.027 1.00 0.00 O ATOM 23 CB SER A 3 22.705 -12.917 11.278 1.00 0.00 C ATOM 24 OG SER A 3 23.410 -12.676 12.484 1.00 0.00 O ATOM 0 H SER A 3 21.982 -10.564 11.168 1.00 0.00 H new ATOM 0 HA SER A 3 24.258 -11.887 10.207 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.636 -12.786 11.446 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.854 -13.951 10.966 1.00 0.00 H new ATOM 0 HG SER A 3 23.092 -13.291 13.177 1.00 0.00 H new ATOM 30 N GLY A 4 21.477 -12.532 8.527 1.00 0.00 N ATOM 31 CA GLY A 4 20.990 -13.043 7.259 1.00 0.00 C ATOM 32 C GLY A 4 19.476 -13.058 7.184 1.00 0.00 C ATOM 33 O GLY A 4 18.882 -12.359 6.363 1.00 0.00 O ATOM 0 H GLY A 4 20.753 -12.186 9.156 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.385 -12.431 6.448 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.368 -14.054 7.109 1.00 0.00 H new ATOM 37 N SER A 5 18.850 -13.859 8.040 1.00 0.00 N ATOM 38 CA SER A 5 17.396 -13.967 8.063 1.00 0.00 C ATOM 39 C SER A 5 16.854 -14.305 6.677 1.00 0.00 C ATOM 40 O SER A 5 15.857 -13.736 6.233 1.00 0.00 O ATOM 41 CB SER A 5 16.774 -12.661 8.562 1.00 0.00 C ATOM 42 OG SER A 5 17.220 -12.352 9.871 1.00 0.00 O ATOM 0 H SER A 5 19.327 -14.443 8.727 1.00 0.00 H new ATOM 0 HA SER A 5 17.127 -14.773 8.746 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.034 -11.848 7.884 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.687 -12.746 8.555 1.00 0.00 H new ATOM 0 HG SER A 5 16.810 -11.512 10.167 1.00 0.00 H new ATOM 48 N SER A 6 17.520 -15.234 5.999 1.00 0.00 N ATOM 49 CA SER A 6 17.109 -15.646 4.662 1.00 0.00 C ATOM 50 C SER A 6 16.822 -17.144 4.618 1.00 0.00 C ATOM 51 O SER A 6 17.467 -17.931 5.310 1.00 0.00 O ATOM 52 CB SER A 6 18.192 -15.292 3.641 1.00 0.00 C ATOM 53 OG SER A 6 17.830 -15.727 2.341 1.00 0.00 O ATOM 0 H SER A 6 18.346 -15.716 6.353 1.00 0.00 H new ATOM 0 HA SER A 6 16.193 -15.112 4.410 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.352 -14.214 3.636 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.136 -15.753 3.933 1.00 0.00 H new ATOM 0 HG SER A 6 18.538 -15.487 1.707 1.00 0.00 H new ATOM 59 N GLY A 7 15.849 -17.531 3.799 1.00 0.00 N ATOM 60 CA GLY A 7 15.493 -18.932 3.680 1.00 0.00 C ATOM 61 C GLY A 7 16.533 -19.732 2.921 1.00 0.00 C ATOM 62 O GLY A 7 16.896 -19.385 1.796 1.00 0.00 O ATOM 0 H GLY A 7 15.301 -16.899 3.216 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.367 -19.358 4.676 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.532 -19.018 3.173 1.00 0.00 H new ATOM 66 N THR A 8 17.017 -20.807 3.536 1.00 0.00 N ATOM 67 CA THR A 8 18.024 -21.656 2.913 1.00 0.00 C ATOM 68 C THR A 8 17.458 -23.035 2.592 1.00 0.00 C ATOM 69 O THR A 8 17.938 -23.720 1.688 1.00 0.00 O ATOM 70 CB THR A 8 19.260 -21.819 3.818 1.00 0.00 C ATOM 71 OG1 THR A 8 20.173 -22.756 3.236 1.00 0.00 O ATOM 72 CG2 THR A 8 18.855 -22.292 5.206 1.00 0.00 C ATOM 0 H THR A 8 16.727 -21.110 4.466 1.00 0.00 H new ATOM 0 HA THR A 8 18.323 -21.164 1.987 1.00 0.00 H new ATOM 0 HB THR A 8 19.747 -20.848 3.910 1.00 0.00 H new ATOM 0 HG1 THR A 8 20.957 -22.853 3.816 1.00 0.00 H new ATOM 0 HG21 THR A 8 19.744 -22.400 5.827 1.00 0.00 H new ATOM 0 HG22 THR A 8 18.183 -21.562 5.658 1.00 0.00 H new ATOM 0 HG23 THR A 8 18.347 -23.253 5.129 1.00 0.00 H new ATOM 80 N LEU A 9 16.434 -23.437 3.338 1.00 0.00 N ATOM 81 CA LEU A 9 15.801 -24.735 3.132 1.00 0.00 C ATOM 82 C LEU A 9 15.524 -24.977 1.652 1.00 0.00 C ATOM 83 O LEU A 9 14.722 -24.274 1.038 1.00 0.00 O ATOM 84 CB LEU A 9 14.498 -24.821 3.928 1.00 0.00 C ATOM 85 CG LEU A 9 14.623 -25.314 5.370 1.00 0.00 C ATOM 86 CD1 LEU A 9 14.821 -26.822 5.403 1.00 0.00 C ATOM 87 CD2 LEU A 9 15.771 -24.609 6.077 1.00 0.00 C ATOM 0 H LEU A 9 16.025 -22.883 4.090 1.00 0.00 H new ATOM 0 HA LEU A 9 16.486 -25.506 3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 9 14.038 -23.833 3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.814 -25.483 3.397 1.00 0.00 H new ATOM 0 HG LEU A 9 13.698 -25.077 5.896 1.00 0.00 H new ATOM 0 HD11 LEU A 9 14.908 -27.155 6.437 1.00 0.00 H new ATOM 0 HD12 LEU A 9 13.967 -27.311 4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 9 15.730 -27.082 4.861 1.00 0.00 H new ATOM 0 HD21 LEU A 9 15.845 -24.972 7.102 1.00 0.00 H new ATOM 0 HD22 LEU A 9 16.703 -24.814 5.551 1.00 0.00 H new ATOM 0 HD23 LEU A 9 15.588 -23.534 6.085 1.00 0.00 H new ATOM 99 N ALA A 10 16.190 -25.978 1.086 1.00 0.00 N ATOM 100 CA ALA A 10 16.012 -26.316 -0.321 1.00 0.00 C ATOM 101 C ALA A 10 14.917 -27.362 -0.500 1.00 0.00 C ATOM 102 O ALA A 10 15.170 -28.563 -0.405 1.00 0.00 O ATOM 103 CB ALA A 10 17.322 -26.812 -0.914 1.00 0.00 C ATOM 0 H ALA A 10 16.858 -26.569 1.580 1.00 0.00 H new ATOM 0 HA ALA A 10 15.705 -25.414 -0.850 1.00 0.00 H new ATOM 0 HB1 ALA A 10 17.175 -27.061 -1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 10 18.079 -26.032 -0.828 1.00 0.00 H new ATOM 0 HB3 ALA A 10 17.653 -27.699 -0.374 1.00 0.00 H new ATOM 109 N LYS A 11 13.699 -26.899 -0.758 1.00 0.00 N ATOM 110 CA LYS A 11 12.565 -27.794 -0.951 1.00 0.00 C ATOM 111 C LYS A 11 11.369 -27.041 -1.526 1.00 0.00 C ATOM 112 O LYS A 11 11.227 -25.835 -1.322 1.00 0.00 O ATOM 113 CB LYS A 11 12.177 -28.452 0.375 1.00 0.00 C ATOM 114 CG LYS A 11 11.557 -29.829 0.211 1.00 0.00 C ATOM 115 CD LYS A 11 11.479 -30.567 1.538 1.00 0.00 C ATOM 116 CE LYS A 11 10.823 -31.930 1.380 1.00 0.00 C ATOM 117 NZ LYS A 11 9.392 -31.814 0.986 1.00 0.00 N ATOM 0 H LYS A 11 13.472 -25.908 -0.838 1.00 0.00 H new ATOM 0 HA LYS A 11 12.861 -28.567 -1.660 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.064 -28.534 1.004 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.473 -27.806 0.900 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.557 -29.731 -0.211 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.146 -30.412 -0.497 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.482 -30.690 1.947 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.914 -29.971 2.254 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.361 -32.507 0.628 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.898 -32.480 2.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.852 -32.598 1.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.010 -30.909 1.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.313 -31.853 -0.050 1.00 0.00 H new ATOM 131 N SER A 12 10.511 -27.760 -2.243 1.00 0.00 N ATOM 132 CA SER A 12 9.329 -27.159 -2.848 1.00 0.00 C ATOM 133 C SER A 12 8.070 -27.533 -2.071 1.00 0.00 C ATOM 134 O SER A 12 7.031 -27.837 -2.658 1.00 0.00 O ATOM 135 CB SER A 12 9.194 -27.605 -4.306 1.00 0.00 C ATOM 136 OG SER A 12 10.326 -27.218 -5.064 1.00 0.00 O ATOM 0 H SER A 12 10.613 -28.760 -2.419 1.00 0.00 H new ATOM 0 HA SER A 12 9.446 -26.076 -2.816 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.076 -28.688 -4.349 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.295 -27.169 -4.741 1.00 0.00 H new ATOM 0 HG SER A 12 10.216 -27.516 -5.991 1.00 0.00 H new ATOM 142 N LYS A 13 8.172 -27.510 -0.747 1.00 0.00 N ATOM 143 CA LYS A 13 7.043 -27.845 0.114 1.00 0.00 C ATOM 144 C LYS A 13 5.885 -26.877 -0.106 1.00 0.00 C ATOM 145 O LYS A 13 5.928 -25.731 0.339 1.00 0.00 O ATOM 146 CB LYS A 13 7.471 -27.820 1.583 1.00 0.00 C ATOM 147 CG LYS A 13 6.667 -28.758 2.466 1.00 0.00 C ATOM 148 CD LYS A 13 7.094 -28.657 3.921 1.00 0.00 C ATOM 149 CE LYS A 13 8.420 -29.362 4.162 1.00 0.00 C ATOM 150 NZ LYS A 13 8.301 -30.838 4.007 1.00 0.00 N ATOM 0 H LYS A 13 9.025 -27.263 -0.246 1.00 0.00 H new ATOM 0 HA LYS A 13 6.707 -28.850 -0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.526 -28.086 1.650 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.374 -26.803 1.964 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.607 -28.521 2.380 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.793 -29.784 2.119 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.182 -27.608 4.204 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.326 -29.096 4.558 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.165 -28.983 3.463 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.777 -29.130 5.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.204 -31.288 4.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.549 -31.193 4.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.067 -31.066 3.019 1.00 0.00 H new ATOM 164 N GLY A 14 4.850 -27.347 -0.796 1.00 0.00 N ATOM 165 CA GLY A 14 3.694 -26.510 -1.061 1.00 0.00 C ATOM 166 C GLY A 14 4.036 -25.302 -1.911 1.00 0.00 C ATOM 167 O GLY A 14 5.208 -25.000 -2.128 1.00 0.00 O ATOM 0 H GLY A 14 4.791 -28.292 -1.176 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.929 -27.101 -1.565 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.267 -26.176 -0.116 1.00 0.00 H new ATOM 171 N ALA A 15 3.008 -24.611 -2.394 1.00 0.00 N ATOM 172 CA ALA A 15 3.206 -23.429 -3.224 1.00 0.00 C ATOM 173 C ALA A 15 2.496 -22.217 -2.631 1.00 0.00 C ATOM 174 O ALA A 15 1.465 -22.350 -1.972 1.00 0.00 O ATOM 175 CB ALA A 15 2.714 -23.691 -4.640 1.00 0.00 C ATOM 0 H ALA A 15 2.031 -24.849 -2.225 1.00 0.00 H new ATOM 0 HA ALA A 15 4.274 -23.212 -3.256 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.868 -22.800 -5.249 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.269 -24.525 -5.070 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.652 -23.936 -4.617 1.00 0.00 H new ATOM 181 N SER A 16 3.056 -21.035 -2.868 1.00 0.00 N ATOM 182 CA SER A 16 2.478 -19.799 -2.353 1.00 0.00 C ATOM 183 C SER A 16 1.212 -19.429 -3.121 1.00 0.00 C ATOM 184 O SER A 16 1.269 -18.732 -4.133 1.00 0.00 O ATOM 185 CB SER A 16 3.495 -18.659 -2.445 1.00 0.00 C ATOM 186 OG SER A 16 2.889 -17.411 -2.156 1.00 0.00 O ATOM 0 H SER A 16 3.909 -20.907 -3.413 1.00 0.00 H new ATOM 0 HA SER A 16 2.214 -19.958 -1.308 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.313 -18.840 -1.748 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.928 -18.634 -3.445 1.00 0.00 H new ATOM 0 HG SER A 16 3.560 -16.699 -2.220 1.00 0.00 H new ATOM 192 N ALA A 17 0.071 -19.903 -2.631 1.00 0.00 N ATOM 193 CA ALA A 17 -1.209 -19.622 -3.268 1.00 0.00 C ATOM 194 C ALA A 17 -2.263 -19.236 -2.236 1.00 0.00 C ATOM 195 O ALA A 17 -2.582 -20.015 -1.339 1.00 0.00 O ATOM 196 CB ALA A 17 -1.673 -20.826 -4.075 1.00 0.00 C ATOM 0 H ALA A 17 0.007 -20.483 -1.795 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.073 -18.777 -3.943 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.630 -20.602 -4.545 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.935 -21.054 -4.844 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.786 -21.685 -3.414 1.00 0.00 H new ATOM 202 N GLY A 18 -2.801 -18.027 -2.369 1.00 0.00 N ATOM 203 CA GLY A 18 -3.813 -17.559 -1.440 1.00 0.00 C ATOM 204 C GLY A 18 -3.239 -16.662 -0.362 1.00 0.00 C ATOM 205 O GLY A 18 -2.975 -17.111 0.754 1.00 0.00 O ATOM 0 H GLY A 18 -2.554 -17.364 -3.103 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.582 -17.016 -1.989 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.299 -18.416 -0.974 1.00 0.00 H new ATOM 209 N ARG A 19 -3.044 -15.390 -0.694 1.00 0.00 N ATOM 210 CA ARG A 19 -2.495 -14.428 0.254 1.00 0.00 C ATOM 211 C ARG A 19 -3.549 -13.401 0.659 1.00 0.00 C ATOM 212 O ARG A 19 -4.525 -13.184 -0.059 1.00 0.00 O ATOM 213 CB ARG A 19 -1.283 -13.718 -0.351 1.00 0.00 C ATOM 214 CG ARG A 19 -0.259 -13.274 0.681 1.00 0.00 C ATOM 215 CD ARG A 19 0.604 -12.137 0.157 1.00 0.00 C ATOM 216 NE ARG A 19 1.745 -11.869 1.028 1.00 0.00 N ATOM 217 CZ ARG A 19 2.521 -10.797 0.914 1.00 0.00 C ATOM 218 NH1 ARG A 19 2.279 -9.897 -0.030 1.00 0.00 N ATOM 219 NH2 ARG A 19 3.540 -10.623 1.745 1.00 0.00 N ATOM 0 H ARG A 19 -3.258 -15.002 -1.613 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.182 -14.973 1.145 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.801 -14.385 -1.065 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.625 -12.847 -0.910 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.771 -12.955 1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.375 -14.118 0.952 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.961 -12.384 -0.843 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.001 -11.235 0.065 1.00 0.00 H new ATOM 0 HE ARG A 19 1.958 -12.542 1.764 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.496 -10.027 -0.670 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.876 -9.075 -0.116 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.728 -11.313 2.472 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.135 -9.799 1.657 1.00 0.00 H new ATOM 233 N GLU A 20 -3.345 -12.774 1.813 1.00 0.00 N ATOM 234 CA GLU A 20 -4.279 -11.772 2.313 1.00 0.00 C ATOM 235 C GLU A 20 -4.428 -10.624 1.319 1.00 0.00 C ATOM 236 O GLU A 20 -5.320 -9.786 1.452 1.00 0.00 O ATOM 237 CB GLU A 20 -3.807 -11.232 3.665 1.00 0.00 C ATOM 238 CG GLU A 20 -4.307 -12.040 4.851 1.00 0.00 C ATOM 239 CD GLU A 20 -3.350 -12.003 6.027 1.00 0.00 C ATOM 240 OE1 GLU A 20 -2.596 -11.015 6.146 1.00 0.00 O ATOM 241 OE2 GLU A 20 -3.356 -12.961 6.827 1.00 0.00 O ATOM 0 H GLU A 20 -2.542 -12.942 2.419 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.251 -12.249 2.440 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.717 -11.216 3.680 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.142 -10.200 3.772 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.277 -11.655 5.165 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.459 -13.075 4.543 1.00 0.00 H new ATOM 248 N TRP A 21 -3.549 -10.592 0.324 1.00 0.00 N ATOM 249 CA TRP A 21 -3.582 -9.547 -0.692 1.00 0.00 C ATOM 250 C TRP A 21 -3.176 -10.099 -2.054 1.00 0.00 C ATOM 251 O TRP A 21 -2.559 -11.161 -2.147 1.00 0.00 O ATOM 252 CB TRP A 21 -2.657 -8.395 -0.299 1.00 0.00 C ATOM 253 CG TRP A 21 -3.274 -7.445 0.683 1.00 0.00 C ATOM 254 CD1 TRP A 21 -3.606 -7.709 1.981 1.00 0.00 C ATOM 255 CD2 TRP A 21 -3.637 -6.081 0.444 1.00 0.00 C ATOM 256 NE1 TRP A 21 -4.152 -6.591 2.563 1.00 0.00 N ATOM 257 CE2 TRP A 21 -4.181 -5.578 1.641 1.00 0.00 C ATOM 258 CE3 TRP A 21 -3.552 -5.234 -0.665 1.00 0.00 C ATOM 259 CZ2 TRP A 21 -4.639 -4.269 1.759 1.00 0.00 C ATOM 260 CZ3 TRP A 21 -4.007 -3.935 -0.547 1.00 0.00 C ATOM 261 CH2 TRP A 21 -4.544 -3.462 0.658 1.00 0.00 C ATOM 0 H TRP A 21 -2.805 -11.278 0.199 1.00 0.00 H new ATOM 0 HA TRP A 21 -4.604 -9.175 -0.761 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.741 -8.804 0.128 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -2.373 -7.845 -1.196 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -3.461 -8.657 2.477 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -4.482 -6.526 3.526 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -3.138 -5.589 -1.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -5.055 -3.903 2.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -3.948 -3.273 -1.398 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -4.890 -2.441 0.719 1.00 0.00 H new ATOM 272 N THR A 22 -3.524 -9.372 -3.111 1.00 0.00 N ATOM 273 CA THR A 22 -3.196 -9.790 -4.468 1.00 0.00 C ATOM 274 C THR A 22 -2.534 -8.659 -5.247 1.00 0.00 C ATOM 275 O THR A 22 -2.553 -7.505 -4.820 1.00 0.00 O ATOM 276 CB THR A 22 -4.451 -10.256 -5.231 1.00 0.00 C ATOM 277 OG1 THR A 22 -5.411 -9.195 -5.291 1.00 0.00 O ATOM 278 CG2 THR A 22 -5.072 -11.471 -4.559 1.00 0.00 C ATOM 0 H THR A 22 -4.033 -8.490 -3.053 1.00 0.00 H new ATOM 0 HA THR A 22 -2.500 -10.625 -4.382 1.00 0.00 H new ATOM 0 HB THR A 22 -4.153 -10.532 -6.242 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.091 -8.434 -4.762 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.956 -11.782 -5.115 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.349 -12.286 -4.542 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.356 -11.216 -3.538 1.00 0.00 H new ATOM 286 N GLU A 23 -1.948 -8.998 -6.391 1.00 0.00 N ATOM 287 CA GLU A 23 -1.279 -8.010 -7.229 1.00 0.00 C ATOM 288 C GLU A 23 -2.204 -6.833 -7.526 1.00 0.00 C ATOM 289 O GLU A 23 -1.786 -5.676 -7.486 1.00 0.00 O ATOM 290 CB GLU A 23 -0.813 -8.649 -8.538 1.00 0.00 C ATOM 291 CG GLU A 23 0.058 -7.737 -9.385 1.00 0.00 C ATOM 292 CD GLU A 23 -0.068 -8.023 -10.869 1.00 0.00 C ATOM 293 OE1 GLU A 23 -1.169 -8.419 -11.306 1.00 0.00 O ATOM 294 OE2 GLU A 23 0.935 -7.850 -11.593 1.00 0.00 O ATOM 0 H GLU A 23 -1.923 -9.949 -6.759 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.410 -7.639 -6.685 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.258 -9.559 -8.311 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.686 -8.945 -9.119 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.216 -6.699 -9.194 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.099 -7.852 -9.084 1.00 0.00 H new ATOM 301 N GLN A 24 -3.463 -7.138 -7.825 1.00 0.00 N ATOM 302 CA GLN A 24 -4.447 -6.106 -8.130 1.00 0.00 C ATOM 303 C GLN A 24 -4.516 -5.072 -7.012 1.00 0.00 C ATOM 304 O GLN A 24 -4.271 -3.886 -7.235 1.00 0.00 O ATOM 305 CB GLN A 24 -5.825 -6.734 -8.346 1.00 0.00 C ATOM 306 CG GLN A 24 -6.938 -5.713 -8.521 1.00 0.00 C ATOM 307 CD GLN A 24 -8.266 -6.352 -8.875 1.00 0.00 C ATOM 308 OE1 GLN A 24 -8.831 -7.114 -8.089 1.00 0.00 O ATOM 309 NE2 GLN A 24 -8.773 -6.045 -10.063 1.00 0.00 N ATOM 0 H GLN A 24 -3.825 -8.091 -7.862 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.137 -5.603 -9.046 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.789 -7.375 -9.227 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.061 -7.374 -7.496 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.049 -5.141 -7.600 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.659 -5.007 -9.303 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.271 -5.409 -10.683 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.664 -6.445 -10.356 1.00 0.00 H new ATOM 318 N GLU A 25 -4.850 -5.529 -5.809 1.00 0.00 N ATOM 319 CA GLU A 25 -4.951 -4.641 -4.656 1.00 0.00 C ATOM 320 C GLU A 25 -3.633 -3.912 -4.413 1.00 0.00 C ATOM 321 O GLU A 25 -3.602 -2.688 -4.282 1.00 0.00 O ATOM 322 CB GLU A 25 -5.347 -5.433 -3.408 1.00 0.00 C ATOM 323 CG GLU A 25 -6.836 -5.723 -3.318 1.00 0.00 C ATOM 324 CD GLU A 25 -7.419 -6.193 -4.636 1.00 0.00 C ATOM 325 OE1 GLU A 25 -6.866 -7.145 -5.225 1.00 0.00 O ATOM 326 OE2 GLU A 25 -8.431 -5.609 -5.078 1.00 0.00 O ATOM 0 H GLU A 25 -5.055 -6.508 -5.607 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.722 -3.900 -4.867 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.801 -6.376 -3.398 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.040 -4.877 -2.522 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.009 -6.484 -2.557 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.359 -4.823 -2.994 1.00 0.00 H new ATOM 333 N THR A 26 -2.545 -4.673 -4.353 1.00 0.00 N ATOM 334 CA THR A 26 -1.224 -4.102 -4.124 1.00 0.00 C ATOM 335 C THR A 26 -1.021 -2.838 -4.951 1.00 0.00 C ATOM 336 O THR A 26 -0.592 -1.806 -4.433 1.00 0.00 O ATOM 337 CB THR A 26 -0.109 -5.109 -4.464 1.00 0.00 C ATOM 338 OG1 THR A 26 -0.300 -6.319 -3.722 1.00 0.00 O ATOM 339 CG2 THR A 26 1.261 -4.526 -4.150 1.00 0.00 C ATOM 0 H THR A 26 -2.553 -5.687 -4.460 1.00 0.00 H new ATOM 0 HA THR A 26 -1.167 -3.853 -3.064 1.00 0.00 H new ATOM 0 HB THR A 26 -0.158 -5.326 -5.531 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.194 -6.136 -2.765 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.032 -5.255 -4.398 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.415 -3.621 -4.738 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.319 -4.284 -3.089 1.00 0.00 H new ATOM 347 N LEU A 27 -1.331 -2.924 -6.240 1.00 0.00 N ATOM 348 CA LEU A 27 -1.183 -1.785 -7.140 1.00 0.00 C ATOM 349 C LEU A 27 -2.144 -0.663 -6.761 1.00 0.00 C ATOM 350 O LEU A 27 -1.799 0.517 -6.838 1.00 0.00 O ATOM 351 CB LEU A 27 -1.431 -2.218 -8.586 1.00 0.00 C ATOM 352 CG LEU A 27 -0.327 -3.052 -9.236 1.00 0.00 C ATOM 353 CD1 LEU A 27 -0.880 -3.852 -10.405 1.00 0.00 C ATOM 354 CD2 LEU A 27 0.817 -2.159 -9.692 1.00 0.00 C ATOM 0 H LEU A 27 -1.686 -3.770 -6.685 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.163 -1.411 -7.049 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.358 -2.790 -8.619 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.587 -1.324 -9.190 1.00 0.00 H new ATOM 0 HG LEU A 27 0.058 -3.752 -8.494 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.080 -4.439 -10.855 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.665 -4.520 -10.050 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.293 -3.171 -11.149 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.594 -2.769 -10.152 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.446 -1.435 -10.418 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.231 -1.632 -8.833 1.00 0.00 H new ATOM 366 N LEU A 28 -3.351 -1.038 -6.351 1.00 0.00 N ATOM 367 CA LEU A 28 -4.362 -0.063 -5.957 1.00 0.00 C ATOM 368 C LEU A 28 -3.890 0.759 -4.762 1.00 0.00 C ATOM 369 O LEU A 28 -4.072 1.976 -4.721 1.00 0.00 O ATOM 370 CB LEU A 28 -5.676 -0.770 -5.618 1.00 0.00 C ATOM 371 CG LEU A 28 -6.631 -1.008 -6.788 1.00 0.00 C ATOM 372 CD1 LEU A 28 -7.650 -2.081 -6.436 1.00 0.00 C ATOM 373 CD2 LEU A 28 -7.330 0.286 -7.178 1.00 0.00 C ATOM 0 H LEU A 28 -3.653 -2.010 -6.283 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.526 0.613 -6.796 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.441 -1.733 -5.165 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.198 -0.182 -4.863 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.049 -1.355 -7.642 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.321 -2.237 -7.281 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.133 -3.013 -6.207 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.227 -1.764 -5.568 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.006 0.097 -8.012 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.899 0.663 -6.328 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.587 1.026 -7.473 1.00 0.00 H new ATOM 385 N LEU A 29 -3.282 0.086 -3.791 1.00 0.00 N ATOM 386 CA LEU A 29 -2.781 0.753 -2.595 1.00 0.00 C ATOM 387 C LEU A 29 -1.767 1.834 -2.958 1.00 0.00 C ATOM 388 O LEU A 29 -1.866 2.973 -2.500 1.00 0.00 O ATOM 389 CB LEU A 29 -2.142 -0.264 -1.649 1.00 0.00 C ATOM 390 CG LEU A 29 -1.718 0.267 -0.279 1.00 0.00 C ATOM 391 CD1 LEU A 29 -2.933 0.703 0.524 1.00 0.00 C ATOM 392 CD2 LEU A 29 -0.925 -0.788 0.480 1.00 0.00 C ATOM 0 H LEU A 29 -3.124 -0.922 -3.809 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.625 1.226 -2.093 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.847 -1.082 -1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.265 -0.686 -2.140 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.077 1.136 -0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.612 1.078 1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.460 1.492 -0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.600 -0.148 0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.632 -0.393 1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.542 -1.676 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.033 -1.052 -0.089 1.00 0.00 H new ATOM 404 N LEU A 30 -0.794 1.470 -3.786 1.00 0.00 N ATOM 405 CA LEU A 30 0.238 2.408 -4.214 1.00 0.00 C ATOM 406 C LEU A 30 -0.376 3.591 -4.956 1.00 0.00 C ATOM 407 O LEU A 30 -0.113 4.747 -4.627 1.00 0.00 O ATOM 408 CB LEU A 30 1.257 1.703 -5.109 1.00 0.00 C ATOM 409 CG LEU A 30 2.271 0.808 -4.396 1.00 0.00 C ATOM 410 CD1 LEU A 30 3.007 -0.069 -5.397 1.00 0.00 C ATOM 411 CD2 LEU A 30 3.255 1.649 -3.596 1.00 0.00 C ATOM 0 H LEU A 30 -0.698 0.532 -4.174 1.00 0.00 H new ATOM 0 HA LEU A 30 0.744 2.783 -3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.715 1.097 -5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.803 2.461 -5.671 1.00 0.00 H new ATOM 0 HG LEU A 30 1.732 0.160 -3.705 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.724 -0.699 -4.871 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.291 -0.698 -5.925 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.534 0.561 -6.114 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.969 0.995 -3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.788 2.322 -4.267 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.714 2.233 -2.852 1.00 0.00 H new ATOM 423 N GLU A 31 -1.197 3.292 -5.958 1.00 0.00 N ATOM 424 CA GLU A 31 -1.850 4.331 -6.746 1.00 0.00 C ATOM 425 C GLU A 31 -2.425 5.418 -5.843 1.00 0.00 C ATOM 426 O GLU A 31 -2.136 6.602 -6.016 1.00 0.00 O ATOM 427 CB GLU A 31 -2.961 3.728 -7.608 1.00 0.00 C ATOM 428 CG GLU A 31 -3.252 4.522 -8.870 1.00 0.00 C ATOM 429 CD GLU A 31 -4.228 5.658 -8.631 1.00 0.00 C ATOM 430 OE1 GLU A 31 -4.181 6.260 -7.538 1.00 0.00 O ATOM 431 OE2 GLU A 31 -5.039 5.945 -9.537 1.00 0.00 O ATOM 0 H GLU A 31 -1.426 2.340 -6.243 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.101 4.782 -7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.683 2.711 -7.885 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.873 3.659 -7.014 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.319 4.926 -9.264 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.657 3.854 -9.630 1.00 0.00 H new ATOM 438 N ALA A 32 -3.243 5.007 -4.879 1.00 0.00 N ATOM 439 CA ALA A 32 -3.858 5.944 -3.948 1.00 0.00 C ATOM 440 C ALA A 32 -2.818 6.554 -3.015 1.00 0.00 C ATOM 441 O ALA A 32 -2.881 7.739 -2.687 1.00 0.00 O ATOM 442 CB ALA A 32 -4.949 5.251 -3.145 1.00 0.00 C ATOM 0 H ALA A 32 -3.495 4.031 -4.723 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.306 6.752 -4.527 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.400 5.963 -2.454 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.713 4.870 -3.823 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.517 4.423 -2.583 1.00 0.00 H new ATOM 448 N LEU A 33 -1.861 5.736 -2.588 1.00 0.00 N ATOM 449 CA LEU A 33 -0.806 6.195 -1.691 1.00 0.00 C ATOM 450 C LEU A 33 -0.138 7.454 -2.235 1.00 0.00 C ATOM 451 O LEU A 33 0.543 8.171 -1.503 1.00 0.00 O ATOM 452 CB LEU A 33 0.237 5.094 -1.494 1.00 0.00 C ATOM 453 CG LEU A 33 -0.019 4.124 -0.340 1.00 0.00 C ATOM 454 CD1 LEU A 33 1.051 3.045 -0.302 1.00 0.00 C ATOM 455 CD2 LEU A 33 -0.073 4.873 0.984 1.00 0.00 C ATOM 0 H LEU A 33 -1.794 4.752 -2.849 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.259 6.434 -0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.307 4.518 -2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.208 5.565 -1.338 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.984 3.643 -0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.852 2.364 0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.041 2.489 -1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.029 3.507 -0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.256 4.167 1.794 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.876 5.382 1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.878 5.607 0.954 1.00 0.00 H new ATOM 467 N GLU A 34 -0.341 7.716 -3.522 1.00 0.00 N ATOM 468 CA GLU A 34 0.242 8.890 -4.163 1.00 0.00 C ATOM 469 C GLU A 34 -0.667 10.105 -4.001 1.00 0.00 C ATOM 470 O GLU A 34 -0.201 11.209 -3.724 1.00 0.00 O ATOM 471 CB GLU A 34 0.489 8.618 -5.648 1.00 0.00 C ATOM 472 CG GLU A 34 1.418 7.444 -5.906 1.00 0.00 C ATOM 473 CD GLU A 34 2.727 7.559 -5.149 1.00 0.00 C ATOM 474 OE1 GLU A 34 3.625 8.286 -5.622 1.00 0.00 O ATOM 475 OE2 GLU A 34 2.852 6.922 -4.082 1.00 0.00 O ATOM 0 H GLU A 34 -0.904 7.133 -4.141 1.00 0.00 H new ATOM 0 HA GLU A 34 1.194 9.103 -3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.466 8.429 -6.138 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.911 9.512 -6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.917 6.519 -5.620 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.625 7.377 -6.974 1.00 0.00 H new ATOM 482 N MET A 35 -1.967 9.892 -4.177 1.00 0.00 N ATOM 483 CA MET A 35 -2.942 10.969 -4.051 1.00 0.00 C ATOM 484 C MET A 35 -3.471 11.058 -2.623 1.00 0.00 C ATOM 485 O MET A 35 -3.390 12.108 -1.985 1.00 0.00 O ATOM 486 CB MET A 35 -4.102 10.753 -5.024 1.00 0.00 C ATOM 487 CG MET A 35 -3.696 10.857 -6.486 1.00 0.00 C ATOM 488 SD MET A 35 -5.093 11.204 -7.571 1.00 0.00 S ATOM 489 CE MET A 35 -6.137 9.786 -7.243 1.00 0.00 C ATOM 0 H MET A 35 -2.370 8.984 -4.407 1.00 0.00 H new ATOM 0 HA MET A 35 -2.443 11.907 -4.295 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.537 9.770 -4.845 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.880 11.488 -4.818 1.00 0.00 H new ATOM 0 HG2 MET A 35 -2.950 11.644 -6.597 1.00 0.00 H new ATOM 0 HG3 MET A 35 -3.224 9.925 -6.795 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.954 9.761 -7.964 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.548 8.873 -7.330 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.545 9.860 -6.235 1.00 0.00 H new ATOM 499 N TYR A 36 -4.012 9.951 -2.127 1.00 0.00 N ATOM 500 CA TYR A 36 -4.557 9.905 -0.776 1.00 0.00 C ATOM 501 C TYR A 36 -3.519 9.383 0.213 1.00 0.00 C ATOM 502 O TYR A 36 -3.856 8.719 1.194 1.00 0.00 O ATOM 503 CB TYR A 36 -5.805 9.022 -0.736 1.00 0.00 C ATOM 504 CG TYR A 36 -6.756 9.265 -1.886 1.00 0.00 C ATOM 505 CD1 TYR A 36 -7.168 10.552 -2.212 1.00 0.00 C ATOM 506 CD2 TYR A 36 -7.244 8.209 -2.646 1.00 0.00 C ATOM 507 CE1 TYR A 36 -8.037 10.779 -3.262 1.00 0.00 C ATOM 508 CE2 TYR A 36 -8.112 8.427 -3.698 1.00 0.00 C ATOM 509 CZ TYR A 36 -8.506 9.713 -4.002 1.00 0.00 C ATOM 510 OH TYR A 36 -9.372 9.934 -5.048 1.00 0.00 O ATOM 0 H TYR A 36 -4.085 9.073 -2.641 1.00 0.00 H new ATOM 0 HA TYR A 36 -4.829 10.920 -0.487 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -5.500 7.976 -0.743 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.332 9.194 0.203 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.803 11.389 -1.635 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.939 7.200 -2.410 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.347 11.785 -3.502 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -8.480 7.595 -4.279 1.00 0.00 H new ATOM 0 HH TYR A 36 -9.605 9.079 -5.466 1.00 0.00 H new ATOM 520 N LYS A 37 -2.253 9.688 -0.052 1.00 0.00 N ATOM 521 CA LYS A 37 -1.164 9.253 0.813 1.00 0.00 C ATOM 522 C LYS A 37 -1.596 9.254 2.276 1.00 0.00 C ATOM 523 O LYS A 37 -1.714 8.199 2.899 1.00 0.00 O ATOM 524 CB LYS A 37 0.055 10.161 0.630 1.00 0.00 C ATOM 525 CG LYS A 37 1.202 9.836 1.570 1.00 0.00 C ATOM 526 CD LYS A 37 2.209 10.972 1.634 1.00 0.00 C ATOM 527 CE LYS A 37 3.030 10.919 2.914 1.00 0.00 C ATOM 528 NZ LYS A 37 4.040 9.825 2.879 1.00 0.00 N ATOM 0 H LYS A 37 -1.956 10.235 -0.860 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.896 8.234 0.532 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.406 10.081 -0.399 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.248 11.197 0.784 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.811 9.639 2.568 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.700 8.925 1.237 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.874 10.919 0.772 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.686 11.927 1.575 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.534 11.874 3.062 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.366 10.773 3.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.579 9.822 3.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.558 8.911 2.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.690 9.978 2.081 1.00 0.00 H new ATOM 542 N ASP A 38 -1.834 10.444 2.817 1.00 0.00 N ATOM 543 CA ASP A 38 -2.256 10.582 4.206 1.00 0.00 C ATOM 544 C ASP A 38 -3.710 10.153 4.376 1.00 0.00 C ATOM 545 O ASP A 38 -4.022 9.298 5.206 1.00 0.00 O ATOM 546 CB ASP A 38 -2.080 12.027 4.673 1.00 0.00 C ATOM 547 CG ASP A 38 -2.692 13.026 3.711 1.00 0.00 C ATOM 548 OD1 ASP A 38 -2.257 13.066 2.541 1.00 0.00 O ATOM 549 OD2 ASP A 38 -3.606 13.768 4.128 1.00 0.00 O ATOM 0 H ASP A 38 -1.742 11.327 2.315 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.630 9.932 4.817 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.537 12.146 5.655 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.018 12.242 4.788 1.00 0.00 H new ATOM 554 N ASP A 39 -4.595 10.751 3.587 1.00 0.00 N ATOM 555 CA ASP A 39 -6.016 10.431 3.651 1.00 0.00 C ATOM 556 C ASP A 39 -6.243 8.931 3.496 1.00 0.00 C ATOM 557 O ASP A 39 -6.426 8.432 2.385 1.00 0.00 O ATOM 558 CB ASP A 39 -6.781 11.190 2.565 1.00 0.00 C ATOM 559 CG ASP A 39 -6.829 12.682 2.826 1.00 0.00 C ATOM 560 OD1 ASP A 39 -6.955 13.075 4.005 1.00 0.00 O ATOM 561 OD2 ASP A 39 -6.741 13.458 1.852 1.00 0.00 O ATOM 0 H ASP A 39 -4.353 11.460 2.895 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.388 10.737 4.629 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.310 11.008 1.599 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.798 10.802 2.502 1.00 0.00 H new ATOM 566 N TRP A 40 -6.227 8.217 4.615 1.00 0.00 N ATOM 567 CA TRP A 40 -6.430 6.772 4.604 1.00 0.00 C ATOM 568 C TRP A 40 -7.902 6.431 4.405 1.00 0.00 C ATOM 569 O TRP A 40 -8.244 5.562 3.603 1.00 0.00 O ATOM 570 CB TRP A 40 -5.922 6.155 5.908 1.00 0.00 C ATOM 571 CG TRP A 40 -4.429 6.180 6.035 1.00 0.00 C ATOM 572 CD1 TRP A 40 -3.679 7.105 6.704 1.00 0.00 C ATOM 573 CD2 TRP A 40 -3.505 5.240 5.477 1.00 0.00 C ATOM 574 NE1 TRP A 40 -2.345 6.796 6.596 1.00 0.00 N ATOM 575 CE2 TRP A 40 -2.211 5.656 5.848 1.00 0.00 C ATOM 576 CE3 TRP A 40 -3.644 4.086 4.701 1.00 0.00 C ATOM 577 CZ2 TRP A 40 -1.068 4.959 5.469 1.00 0.00 C ATOM 578 CZ3 TRP A 40 -2.508 3.395 4.325 1.00 0.00 C ATOM 579 CH2 TRP A 40 -1.233 3.832 4.710 1.00 0.00 C ATOM 0 H TRP A 40 -6.076 8.614 5.542 1.00 0.00 H new ATOM 0 HA TRP A 40 -5.864 6.357 3.770 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -6.360 6.691 6.750 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.268 5.123 5.972 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.077 7.955 7.239 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -1.578 7.329 7.006 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.622 3.740 4.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -0.085 5.295 5.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.604 2.503 3.724 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -0.364 3.269 4.402 1.00 0.00 H new ATOM 590 N ASN A 41 -8.770 7.120 5.139 1.00 0.00 N ATOM 591 CA ASN A 41 -10.206 6.888 5.042 1.00 0.00 C ATOM 592 C ASN A 41 -10.637 6.738 3.587 1.00 0.00 C ATOM 593 O ASN A 41 -11.525 5.947 3.268 1.00 0.00 O ATOM 594 CB ASN A 41 -10.974 8.039 5.696 1.00 0.00 C ATOM 595 CG ASN A 41 -10.829 8.047 7.206 1.00 0.00 C ATOM 596 OD1 ASN A 41 -11.145 7.064 7.877 1.00 0.00 O ATOM 597 ND2 ASN A 41 -10.348 9.160 7.748 1.00 0.00 N ATOM 0 H ASN A 41 -8.504 7.843 5.807 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.435 5.961 5.567 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.615 8.986 5.294 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -12.030 7.962 5.436 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.227 9.224 8.759 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.099 9.951 7.153 1.00 0.00 H new ATOM 604 N LYS A 42 -10.000 7.501 2.705 1.00 0.00 N ATOM 605 CA LYS A 42 -10.314 7.453 1.282 1.00 0.00 C ATOM 606 C LYS A 42 -9.659 6.244 0.621 1.00 0.00 C ATOM 607 O LYS A 42 -10.303 5.507 -0.126 1.00 0.00 O ATOM 608 CB LYS A 42 -9.850 8.738 0.593 1.00 0.00 C ATOM 609 CG LYS A 42 -10.901 9.834 0.579 1.00 0.00 C ATOM 610 CD LYS A 42 -10.749 10.738 -0.633 1.00 0.00 C ATOM 611 CE LYS A 42 -9.732 11.841 -0.382 1.00 0.00 C ATOM 612 NZ LYS A 42 -9.663 12.801 -1.518 1.00 0.00 N ATOM 0 H LYS A 42 -9.262 8.161 2.951 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.395 7.361 1.177 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.957 9.109 1.097 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.564 8.507 -0.433 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.895 9.386 0.577 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.820 10.428 1.489 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.439 10.145 -1.494 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.714 11.181 -0.881 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.995 12.376 0.530 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.749 11.399 -0.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.971 13.547 -1.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.371 12.298 -2.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.599 13.230 -1.667 1.00 0.00 H new ATOM 626 N VAL A 43 -8.375 6.045 0.902 1.00 0.00 N ATOM 627 CA VAL A 43 -7.633 4.924 0.337 1.00 0.00 C ATOM 628 C VAL A 43 -8.476 3.653 0.335 1.00 0.00 C ATOM 629 O VAL A 43 -8.514 2.924 -0.656 1.00 0.00 O ATOM 630 CB VAL A 43 -6.332 4.662 1.118 1.00 0.00 C ATOM 631 CG1 VAL A 43 -5.643 3.408 0.601 1.00 0.00 C ATOM 632 CG2 VAL A 43 -5.405 5.865 1.027 1.00 0.00 C ATOM 0 H VAL A 43 -7.827 6.646 1.518 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.384 5.194 -0.689 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.583 4.504 2.167 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.725 3.238 1.164 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.307 2.552 0.722 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.402 3.534 -0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.490 5.663 1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.159 6.056 -0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.901 6.739 1.449 1.00 0.00 H new ATOM 642 N SER A 44 -9.151 3.395 1.450 1.00 0.00 N ATOM 643 CA SER A 44 -9.991 2.210 1.578 1.00 0.00 C ATOM 644 C SER A 44 -10.947 2.092 0.395 1.00 0.00 C ATOM 645 O SER A 44 -11.115 1.014 -0.174 1.00 0.00 O ATOM 646 CB SER A 44 -10.784 2.260 2.886 1.00 0.00 C ATOM 647 OG SER A 44 -11.805 3.242 2.826 1.00 0.00 O ATOM 0 H SER A 44 -9.133 3.991 2.278 1.00 0.00 H new ATOM 0 HA SER A 44 -9.342 1.334 1.588 1.00 0.00 H new ATOM 0 HB2 SER A 44 -11.225 1.283 3.085 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.111 2.480 3.715 1.00 0.00 H new ATOM 0 HG SER A 44 -11.422 4.124 3.012 1.00 0.00 H new ATOM 653 N GLU A 45 -11.570 3.208 0.031 1.00 0.00 N ATOM 654 CA GLU A 45 -12.510 3.229 -1.084 1.00 0.00 C ATOM 655 C GLU A 45 -11.801 2.914 -2.398 1.00 0.00 C ATOM 656 O GLU A 45 -12.232 2.043 -3.155 1.00 0.00 O ATOM 657 CB GLU A 45 -13.195 4.594 -1.176 1.00 0.00 C ATOM 658 CG GLU A 45 -13.993 4.960 0.064 1.00 0.00 C ATOM 659 CD GLU A 45 -14.457 6.403 0.055 1.00 0.00 C ATOM 660 OE1 GLU A 45 -15.427 6.711 -0.668 1.00 0.00 O ATOM 661 OE2 GLU A 45 -13.850 7.225 0.773 1.00 0.00 O ATOM 0 H GLU A 45 -11.441 4.109 0.491 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.265 2.463 -0.905 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.439 5.359 -1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.859 4.600 -2.040 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.860 4.304 0.140 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.382 4.784 0.949 1.00 0.00 H new ATOM 668 N HIS A 46 -10.712 3.629 -2.663 1.00 0.00 N ATOM 669 CA HIS A 46 -9.944 3.426 -3.886 1.00 0.00 C ATOM 670 C HIS A 46 -9.804 1.939 -4.199 1.00 0.00 C ATOM 671 O HIS A 46 -10.117 1.495 -5.304 1.00 0.00 O ATOM 672 CB HIS A 46 -8.560 4.064 -3.755 1.00 0.00 C ATOM 673 CG HIS A 46 -7.817 4.154 -5.053 1.00 0.00 C ATOM 674 ND1 HIS A 46 -8.172 5.020 -6.065 1.00 0.00 N ATOM 675 CD2 HIS A 46 -6.732 3.480 -5.500 1.00 0.00 C ATOM 676 CE1 HIS A 46 -7.338 4.875 -7.079 1.00 0.00 C ATOM 677 NE2 HIS A 46 -6.454 3.946 -6.761 1.00 0.00 N ATOM 0 H HIS A 46 -10.342 4.353 -2.048 1.00 0.00 H new ATOM 0 HA HIS A 46 -10.480 3.903 -4.706 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -8.668 5.065 -3.338 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.968 3.485 -3.046 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -8.956 5.671 -6.035 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.186 2.717 -4.964 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.373 5.422 -8.009 1.00 0.00 H new ATOM 686 N VAL A 47 -9.330 1.175 -3.220 1.00 0.00 N ATOM 687 CA VAL A 47 -9.149 -0.262 -3.391 1.00 0.00 C ATOM 688 C VAL A 47 -10.477 -0.952 -3.683 1.00 0.00 C ATOM 689 O VAL A 47 -10.621 -1.642 -4.691 1.00 0.00 O ATOM 690 CB VAL A 47 -8.514 -0.900 -2.142 1.00 0.00 C ATOM 691 CG1 VAL A 47 -8.330 -2.397 -2.342 1.00 0.00 C ATOM 692 CG2 VAL A 47 -7.188 -0.230 -1.817 1.00 0.00 C ATOM 0 H VAL A 47 -9.064 1.527 -2.300 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.478 -0.398 -4.239 1.00 0.00 H new ATOM 0 HB VAL A 47 -9.187 -0.751 -1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.880 -2.831 -1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.299 -2.862 -2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.679 -2.572 -3.198 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.753 -0.694 -0.931 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.506 -0.346 -2.659 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.353 0.831 -1.627 1.00 0.00 H new ATOM 702 N GLY A 48 -11.445 -0.761 -2.792 1.00 0.00 N ATOM 703 CA GLY A 48 -12.749 -1.372 -2.972 1.00 0.00 C ATOM 704 C GLY A 48 -13.091 -2.347 -1.863 1.00 0.00 C ATOM 705 O GLY A 48 -13.942 -2.065 -1.020 1.00 0.00 O ATOM 0 H GLY A 48 -11.350 -0.194 -1.949 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.509 -0.592 -3.013 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.774 -1.892 -3.929 1.00 0.00 H new ATOM 709 N SER A 49 -12.426 -3.498 -1.863 1.00 0.00 N ATOM 710 CA SER A 49 -12.668 -4.520 -0.852 1.00 0.00 C ATOM 711 C SER A 49 -11.569 -4.508 0.206 1.00 0.00 C ATOM 712 O SER A 49 -11.043 -5.556 0.582 1.00 0.00 O ATOM 713 CB SER A 49 -12.749 -5.902 -1.503 1.00 0.00 C ATOM 714 OG SER A 49 -13.884 -6.003 -2.346 1.00 0.00 O ATOM 0 H SER A 49 -11.716 -3.746 -2.552 1.00 0.00 H new ATOM 0 HA SER A 49 -13.618 -4.298 -0.367 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.844 -6.088 -2.082 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.797 -6.669 -0.730 1.00 0.00 H new ATOM 0 HG SER A 49 -13.912 -6.895 -2.751 1.00 0.00 H new ATOM 720 N ARG A 50 -11.228 -3.315 0.683 1.00 0.00 N ATOM 721 CA ARG A 50 -10.192 -3.165 1.697 1.00 0.00 C ATOM 722 C ARG A 50 -10.428 -1.912 2.535 1.00 0.00 C ATOM 723 O ARG A 50 -10.631 -0.822 1.998 1.00 0.00 O ATOM 724 CB ARG A 50 -8.812 -3.100 1.040 1.00 0.00 C ATOM 725 CG ARG A 50 -8.474 -4.328 0.210 1.00 0.00 C ATOM 726 CD ARG A 50 -8.240 -5.547 1.088 1.00 0.00 C ATOM 727 NE ARG A 50 -7.977 -6.747 0.299 1.00 0.00 N ATOM 728 CZ ARG A 50 -7.856 -7.961 0.825 1.00 0.00 C ATOM 729 NH1 ARG A 50 -7.973 -8.134 2.135 1.00 0.00 N ATOM 730 NH2 ARG A 50 -7.617 -9.005 0.042 1.00 0.00 N ATOM 0 H ARG A 50 -11.655 -2.438 0.383 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.234 -4.033 2.354 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.763 -2.217 0.403 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.055 -2.976 1.815 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.286 -4.532 -0.488 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -7.583 -4.131 -0.386 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -7.397 -5.358 1.753 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -9.113 -5.712 1.719 1.00 0.00 H new ATOM 0 HE ARG A 50 -7.881 -6.648 -0.712 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -8.156 -7.334 2.741 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -7.880 -9.067 2.537 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -7.526 -8.876 -0.966 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -7.524 -9.936 0.448 1.00 0.00 H new ATOM 744 N THR A 51 -10.401 -2.074 3.854 1.00 0.00 N ATOM 745 CA THR A 51 -10.614 -0.957 4.766 1.00 0.00 C ATOM 746 C THR A 51 -9.325 -0.174 4.986 1.00 0.00 C ATOM 747 O THR A 51 -8.280 -0.513 4.430 1.00 0.00 O ATOM 748 CB THR A 51 -11.149 -1.438 6.128 1.00 0.00 C ATOM 749 OG1 THR A 51 -10.237 -2.377 6.708 1.00 0.00 O ATOM 750 CG2 THR A 51 -12.519 -2.080 5.975 1.00 0.00 C ATOM 0 H THR A 51 -10.234 -2.968 4.315 1.00 0.00 H new ATOM 0 HA THR A 51 -11.356 -0.307 4.302 1.00 0.00 H new ATOM 0 HB THR A 51 -11.243 -0.572 6.783 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.583 -2.677 7.574 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.876 -2.412 6.950 1.00 0.00 H new ATOM 0 HG22 THR A 51 -13.217 -1.353 5.561 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.447 -2.936 5.304 1.00 0.00 H new ATOM 758 N GLN A 52 -9.406 0.874 5.800 1.00 0.00 N ATOM 759 CA GLN A 52 -8.244 1.704 6.093 1.00 0.00 C ATOM 760 C GLN A 52 -7.105 0.866 6.663 1.00 0.00 C ATOM 761 O GLN A 52 -6.029 0.779 6.071 1.00 0.00 O ATOM 762 CB GLN A 52 -8.619 2.813 7.078 1.00 0.00 C ATOM 763 CG GLN A 52 -9.685 3.760 6.552 1.00 0.00 C ATOM 764 CD GLN A 52 -11.091 3.248 6.791 1.00 0.00 C ATOM 765 OE1 GLN A 52 -11.299 2.309 7.561 1.00 0.00 O ATOM 766 NE2 GLN A 52 -12.066 3.863 6.132 1.00 0.00 N ATOM 0 H GLN A 52 -10.263 1.168 6.268 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.907 2.155 5.160 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.972 2.360 8.004 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.725 3.386 7.324 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.570 4.732 7.032 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.535 3.912 5.483 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.848 4.637 5.504 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -13.033 3.562 6.254 1.00 0.00 H new ATOM 775 N ASP A 53 -7.348 0.250 7.815 1.00 0.00 N ATOM 776 CA ASP A 53 -6.343 -0.583 8.464 1.00 0.00 C ATOM 777 C ASP A 53 -5.633 -1.470 7.447 1.00 0.00 C ATOM 778 O ASP A 53 -4.433 -1.324 7.212 1.00 0.00 O ATOM 779 CB ASP A 53 -6.988 -1.445 9.550 1.00 0.00 C ATOM 780 CG ASP A 53 -8.032 -0.688 10.346 1.00 0.00 C ATOM 781 OD1 ASP A 53 -7.960 0.558 10.385 1.00 0.00 O ATOM 782 OD2 ASP A 53 -8.921 -1.342 10.932 1.00 0.00 O ATOM 0 H ASP A 53 -8.233 0.312 8.318 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.604 0.074 8.924 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.449 -2.319 9.090 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.215 -1.811 10.226 1.00 0.00 H new ATOM 787 N GLU A 54 -6.381 -2.390 6.847 1.00 0.00 N ATOM 788 CA GLU A 54 -5.822 -3.302 5.856 1.00 0.00 C ATOM 789 C GLU A 54 -4.808 -2.586 4.969 1.00 0.00 C ATOM 790 O GLU A 54 -3.655 -3.007 4.861 1.00 0.00 O ATOM 791 CB GLU A 54 -6.936 -3.901 4.995 1.00 0.00 C ATOM 792 CG GLU A 54 -7.785 -4.928 5.726 1.00 0.00 C ATOM 793 CD GLU A 54 -6.950 -5.981 6.429 1.00 0.00 C ATOM 794 OE1 GLU A 54 -5.984 -6.480 5.816 1.00 0.00 O ATOM 795 OE2 GLU A 54 -7.264 -6.305 7.594 1.00 0.00 O ATOM 0 H GLU A 54 -7.376 -2.524 7.030 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.311 -4.106 6.387 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.580 -3.097 4.638 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.493 -4.368 4.116 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.413 -4.420 6.457 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.453 -5.414 5.015 1.00 0.00 H new ATOM 802 N CYS A 55 -5.245 -1.504 4.335 1.00 0.00 N ATOM 803 CA CYS A 55 -4.376 -0.729 3.456 1.00 0.00 C ATOM 804 C CYS A 55 -3.040 -0.438 4.131 1.00 0.00 C ATOM 805 O CYS A 55 -1.979 -0.609 3.529 1.00 0.00 O ATOM 806 CB CYS A 55 -5.057 0.581 3.058 1.00 0.00 C ATOM 807 SG CYS A 55 -6.666 0.365 2.261 1.00 0.00 S ATOM 0 H CYS A 55 -6.196 -1.143 4.413 1.00 0.00 H new ATOM 0 HA CYS A 55 -4.188 -1.319 2.559 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.184 1.197 3.948 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.400 1.129 2.383 1.00 0.00 H new ATOM 0 HG CYS A 55 -7.588 0.247 3.170 1.00 0.00 H new ATOM 813 N ILE A 56 -3.099 0.005 5.382 1.00 0.00 N ATOM 814 CA ILE A 56 -1.893 0.320 6.138 1.00 0.00 C ATOM 815 C ILE A 56 -1.085 -0.938 6.433 1.00 0.00 C ATOM 816 O ILE A 56 0.147 -0.919 6.407 1.00 0.00 O ATOM 817 CB ILE A 56 -2.230 1.025 7.466 1.00 0.00 C ATOM 818 CG1 ILE A 56 -2.927 2.360 7.198 1.00 0.00 C ATOM 819 CG2 ILE A 56 -0.967 1.236 8.288 1.00 0.00 C ATOM 820 CD1 ILE A 56 -3.869 2.783 8.303 1.00 0.00 C ATOM 0 H ILE A 56 -3.969 0.154 5.894 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.299 0.993 5.520 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.909 0.391 8.035 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.172 3.134 7.060 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.484 2.288 6.264 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.221 1.735 9.223 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.508 0.271 8.504 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.266 1.853 7.726 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.327 3.738 8.045 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.646 2.029 8.427 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.313 2.887 9.235 1.00 0.00 H new ATOM 832 N LEU A 57 -1.784 -2.032 6.714 1.00 0.00 N ATOM 833 CA LEU A 57 -1.132 -3.302 7.013 1.00 0.00 C ATOM 834 C LEU A 57 -0.283 -3.769 5.834 1.00 0.00 C ATOM 835 O LEU A 57 0.930 -3.943 5.959 1.00 0.00 O ATOM 836 CB LEU A 57 -2.175 -4.366 7.358 1.00 0.00 C ATOM 837 CG LEU A 57 -2.599 -4.440 8.825 1.00 0.00 C ATOM 838 CD1 LEU A 57 -3.762 -3.498 9.093 1.00 0.00 C ATOM 839 CD2 LEU A 57 -2.967 -5.867 9.203 1.00 0.00 C ATOM 0 H LEU A 57 -2.803 -2.065 6.741 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.478 -3.152 7.872 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.063 -4.185 6.753 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.782 -5.340 7.065 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.757 -4.128 9.443 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.050 -3.565 10.142 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.462 -2.476 8.863 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.609 -3.778 8.466 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.266 -5.900 10.251 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.793 -6.207 8.579 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.106 -6.517 9.051 1.00 0.00 H new ATOM 851 N HIS A 58 -0.929 -3.968 4.689 1.00 0.00 N ATOM 852 CA HIS A 58 -0.233 -4.412 3.487 1.00 0.00 C ATOM 853 C HIS A 58 0.893 -3.449 3.123 1.00 0.00 C ATOM 854 O HIS A 58 1.986 -3.869 2.744 1.00 0.00 O ATOM 855 CB HIS A 58 -1.213 -4.533 2.320 1.00 0.00 C ATOM 856 CG HIS A 58 -0.552 -4.834 1.010 1.00 0.00 C ATOM 857 ND1 HIS A 58 0.478 -5.742 0.878 1.00 0.00 N ATOM 858 CD2 HIS A 58 -0.779 -4.342 -0.230 1.00 0.00 C ATOM 859 CE1 HIS A 58 0.856 -5.794 -0.387 1.00 0.00 C ATOM 860 NE2 HIS A 58 0.108 -4.954 -1.080 1.00 0.00 N ATOM 0 H HIS A 58 -1.932 -3.829 4.569 1.00 0.00 H new ATOM 0 HA HIS A 58 0.202 -5.391 3.690 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -1.934 -5.319 2.542 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -1.773 -3.603 2.229 1.00 0.00 H new ATOM 0 HD1 HIS A 58 0.884 -6.288 1.638 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -1.520 -3.605 -0.501 1.00 0.00 H new ATOM 0 HE1 HIS A 58 1.643 -6.417 -0.786 1.00 0.00 H new ATOM 869 N PHE A 59 0.618 -2.154 3.241 1.00 0.00 N ATOM 870 CA PHE A 59 1.606 -1.130 2.923 1.00 0.00 C ATOM 871 C PHE A 59 2.904 -1.371 3.688 1.00 0.00 C ATOM 872 O PHE A 59 3.973 -1.511 3.092 1.00 0.00 O ATOM 873 CB PHE A 59 1.057 0.259 3.252 1.00 0.00 C ATOM 874 CG PHE A 59 2.127 1.282 3.506 1.00 0.00 C ATOM 875 CD1 PHE A 59 2.755 1.924 2.451 1.00 0.00 C ATOM 876 CD2 PHE A 59 2.506 1.601 4.800 1.00 0.00 C ATOM 877 CE1 PHE A 59 3.740 2.866 2.681 1.00 0.00 C ATOM 878 CE2 PHE A 59 3.490 2.543 5.036 1.00 0.00 C ATOM 879 CZ PHE A 59 4.109 3.175 3.975 1.00 0.00 C ATOM 0 H PHE A 59 -0.281 -1.789 3.555 1.00 0.00 H new ATOM 0 HA PHE A 59 1.818 -1.185 1.855 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.430 0.598 2.427 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.417 0.189 4.131 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.471 1.685 1.437 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.027 1.108 5.633 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.220 3.360 1.849 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.775 2.785 6.049 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.880 3.909 4.157 1.00 0.00 H new ATOM 889 N LEU A 60 2.803 -1.418 5.012 1.00 0.00 N ATOM 890 CA LEU A 60 3.968 -1.641 5.860 1.00 0.00 C ATOM 891 C LEU A 60 4.960 -2.585 5.187 1.00 0.00 C ATOM 892 O LEU A 60 6.166 -2.340 5.192 1.00 0.00 O ATOM 893 CB LEU A 60 3.537 -2.215 7.211 1.00 0.00 C ATOM 894 CG LEU A 60 2.882 -1.231 8.181 1.00 0.00 C ATOM 895 CD1 LEU A 60 2.042 -1.973 9.208 1.00 0.00 C ATOM 896 CD2 LEU A 60 3.938 -0.378 8.869 1.00 0.00 C ATOM 0 H LEU A 60 1.926 -1.305 5.521 1.00 0.00 H new ATOM 0 HA LEU A 60 4.459 -0.681 6.019 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.840 -3.033 7.030 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.413 -2.644 7.697 1.00 0.00 H new ATOM 0 HG LEU A 60 2.225 -0.573 7.612 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.584 -1.256 9.890 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.262 -2.540 8.699 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.677 -2.656 9.773 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.454 0.317 9.556 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.620 -1.021 9.425 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.497 0.183 8.120 1.00 0.00 H new ATOM 908 N ARG A 61 4.442 -3.663 4.607 1.00 0.00 N ATOM 909 CA ARG A 61 5.282 -4.643 3.928 1.00 0.00 C ATOM 910 C ARG A 61 6.038 -4.001 2.769 1.00 0.00 C ATOM 911 O ARG A 61 7.266 -3.913 2.787 1.00 0.00 O ATOM 912 CB ARG A 61 4.431 -5.806 3.414 1.00 0.00 C ATOM 913 CG ARG A 61 3.958 -6.745 4.512 1.00 0.00 C ATOM 914 CD ARG A 61 2.683 -6.238 5.168 1.00 0.00 C ATOM 915 NE ARG A 61 1.914 -7.319 5.777 1.00 0.00 N ATOM 916 CZ ARG A 61 1.132 -8.144 5.089 1.00 0.00 C ATOM 917 NH1 ARG A 61 1.017 -8.011 3.775 1.00 0.00 N ATOM 918 NH2 ARG A 61 0.463 -9.104 5.715 1.00 0.00 N ATOM 0 H ARG A 61 3.445 -3.880 4.594 1.00 0.00 H new ATOM 0 HA ARG A 61 6.008 -5.023 4.647 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.563 -5.406 2.890 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.009 -6.374 2.685 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.784 -7.737 4.094 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.739 -6.849 5.265 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.936 -5.500 5.929 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.069 -5.731 4.423 1.00 0.00 H new ATOM 0 HE ARG A 61 1.981 -7.448 6.787 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.529 -7.274 3.290 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.416 -8.645 3.249 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.549 -9.209 6.726 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.137 -9.736 5.185 1.00 0.00 H new ATOM 932 N LEU A 62 5.296 -3.554 1.761 1.00 0.00 N ATOM 933 CA LEU A 62 5.896 -2.920 0.592 1.00 0.00 C ATOM 934 C LEU A 62 7.039 -1.996 1.000 1.00 0.00 C ATOM 935 O LEU A 62 7.023 -1.383 2.067 1.00 0.00 O ATOM 936 CB LEU A 62 4.840 -2.132 -0.184 1.00 0.00 C ATOM 937 CG LEU A 62 3.595 -2.913 -0.606 1.00 0.00 C ATOM 938 CD1 LEU A 62 2.456 -1.963 -0.943 1.00 0.00 C ATOM 939 CD2 LEU A 62 3.908 -3.815 -1.792 1.00 0.00 C ATOM 0 H LEU A 62 4.279 -3.619 1.730 1.00 0.00 H new ATOM 0 HA LEU A 62 6.299 -3.704 -0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.524 -1.287 0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.307 -1.721 -1.079 1.00 0.00 H new ATOM 0 HG LEU A 62 3.283 -3.539 0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.579 -2.538 -1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.214 -1.360 -0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.757 -1.310 -1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.011 -4.363 -2.079 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.246 -3.208 -2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.691 -4.521 -1.516 1.00 0.00 H new ATOM 951 N PRO A 63 8.055 -1.890 0.130 1.00 0.00 N ATOM 952 CA PRO A 63 9.223 -1.040 0.377 1.00 0.00 C ATOM 953 C PRO A 63 8.884 0.445 0.311 1.00 0.00 C ATOM 954 O PRO A 63 7.716 0.820 0.199 1.00 0.00 O ATOM 955 CB PRO A 63 10.183 -1.420 -0.753 1.00 0.00 C ATOM 956 CG PRO A 63 9.303 -1.927 -1.843 1.00 0.00 C ATOM 957 CD PRO A 63 8.140 -2.593 -1.161 1.00 0.00 C ATOM 0 HA PRO A 63 9.635 -1.193 1.375 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.766 -0.560 -1.083 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.893 -2.182 -0.430 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.965 -1.112 -2.483 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.837 -2.632 -2.480 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.221 -2.487 -1.738 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.311 -3.661 -1.027 1.00 0.00 H new ATOM 965 N ILE A 64 9.911 1.285 0.381 1.00 0.00 N ATOM 966 CA ILE A 64 9.720 2.729 0.328 1.00 0.00 C ATOM 967 C ILE A 64 9.635 3.220 -1.113 1.00 0.00 C ATOM 968 O ILE A 64 10.354 2.736 -1.987 1.00 0.00 O ATOM 969 CB ILE A 64 10.862 3.474 1.045 1.00 0.00 C ATOM 970 CG1 ILE A 64 11.033 2.940 2.469 1.00 0.00 C ATOM 971 CG2 ILE A 64 10.588 4.971 1.065 1.00 0.00 C ATOM 972 CD1 ILE A 64 9.857 3.239 3.372 1.00 0.00 C ATOM 0 H ILE A 64 10.883 0.991 0.474 1.00 0.00 H new ATOM 0 HA ILE A 64 8.781 2.942 0.838 1.00 0.00 H new ATOM 0 HB ILE A 64 11.789 3.301 0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 64 11.184 1.861 2.428 1.00 0.00 H new ATOM 0 HG13 ILE A 64 11.934 3.372 2.905 1.00 0.00 H new ATOM 0 HG21 ILE A 64 11.404 5.483 1.575 1.00 0.00 H new ATOM 0 HG22 ILE A 64 10.510 5.340 0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 64 9.653 5.163 1.592 1.00 0.00 H new ATOM 0 HD11 ILE A 64 10.048 2.831 4.365 1.00 0.00 H new ATOM 0 HD12 ILE A 64 9.718 4.318 3.443 1.00 0.00 H new ATOM 0 HD13 ILE A 64 8.957 2.784 2.960 1.00 0.00 H new ATOM 984 N GLU A 65 8.752 4.184 -1.353 1.00 0.00 N ATOM 985 CA GLU A 65 8.574 4.741 -2.689 1.00 0.00 C ATOM 986 C GLU A 65 8.645 6.265 -2.657 1.00 0.00 C ATOM 987 O GLU A 65 7.627 6.941 -2.506 1.00 0.00 O ATOM 988 CB GLU A 65 7.234 4.294 -3.278 1.00 0.00 C ATOM 989 CG GLU A 65 7.142 4.470 -4.784 1.00 0.00 C ATOM 990 CD GLU A 65 5.782 4.086 -5.334 1.00 0.00 C ATOM 991 OE1 GLU A 65 4.769 4.357 -4.656 1.00 0.00 O ATOM 992 OE2 GLU A 65 5.731 3.514 -6.443 1.00 0.00 O ATOM 0 H GLU A 65 8.149 4.595 -0.640 1.00 0.00 H new ATOM 0 HA GLU A 65 9.382 4.370 -3.320 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.071 3.245 -3.033 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.432 4.860 -2.805 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.352 5.509 -5.038 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.909 3.863 -5.265 1.00 0.00 H new ATOM 999 N ASP A 66 9.853 6.798 -2.800 1.00 0.00 N ATOM 1000 CA ASP A 66 10.058 8.241 -2.789 1.00 0.00 C ATOM 1001 C ASP A 66 11.230 8.631 -3.684 1.00 0.00 C ATOM 1002 O ASP A 66 12.253 7.947 -3.742 1.00 0.00 O ATOM 1003 CB ASP A 66 10.305 8.731 -1.361 1.00 0.00 C ATOM 1004 CG ASP A 66 9.815 10.149 -1.143 1.00 0.00 C ATOM 1005 OD1 ASP A 66 10.590 11.093 -1.408 1.00 0.00 O ATOM 1006 OD2 ASP A 66 8.657 10.316 -0.707 1.00 0.00 O ATOM 0 H ASP A 66 10.705 6.252 -2.925 1.00 0.00 H new ATOM 0 HA ASP A 66 9.156 8.714 -3.177 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.804 8.064 -0.659 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.372 8.680 -1.142 1.00 0.00 H new ATOM 1011 N PRO A 67 11.081 9.756 -4.399 1.00 0.00 N ATOM 1012 CA PRO A 67 12.117 10.261 -5.305 1.00 0.00 C ATOM 1013 C PRO A 67 13.337 10.784 -4.555 1.00 0.00 C ATOM 1014 O PRO A 67 14.357 11.114 -5.162 1.00 0.00 O ATOM 1015 CB PRO A 67 11.415 11.402 -6.045 1.00 0.00 C ATOM 1016 CG PRO A 67 10.339 11.851 -5.117 1.00 0.00 C ATOM 1017 CD PRO A 67 9.889 10.621 -4.379 1.00 0.00 C ATOM 0 HA PRO A 67 12.500 9.480 -5.962 1.00 0.00 H new ATOM 0 HB2 PRO A 67 12.108 12.213 -6.270 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.002 11.063 -6.995 1.00 0.00 H new ATOM 0 HG2 PRO A 67 10.711 12.607 -4.425 1.00 0.00 H new ATOM 0 HG3 PRO A 67 9.512 12.301 -5.667 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.579 10.854 -3.360 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.040 10.146 -4.870 1.00 0.00 H new ATOM 1025 N TYR A 68 13.228 10.857 -3.233 1.00 0.00 N ATOM 1026 CA TYR A 68 14.322 11.341 -2.401 1.00 0.00 C ATOM 1027 C TYR A 68 14.953 10.199 -1.611 1.00 0.00 C ATOM 1028 O TYR A 68 16.177 10.075 -1.545 1.00 0.00 O ATOM 1029 CB TYR A 68 13.821 12.423 -1.442 1.00 0.00 C ATOM 1030 CG TYR A 68 13.610 13.767 -2.103 1.00 0.00 C ATOM 1031 CD1 TYR A 68 14.690 14.548 -2.495 1.00 0.00 C ATOM 1032 CD2 TYR A 68 12.330 14.254 -2.336 1.00 0.00 C ATOM 1033 CE1 TYR A 68 14.501 15.776 -3.098 1.00 0.00 C ATOM 1034 CE2 TYR A 68 12.132 15.481 -2.940 1.00 0.00 C ATOM 1035 CZ TYR A 68 13.220 16.238 -3.319 1.00 0.00 C ATOM 1036 OH TYR A 68 13.028 17.461 -3.921 1.00 0.00 O ATOM 0 H TYR A 68 12.392 10.587 -2.715 1.00 0.00 H new ATOM 0 HA TYR A 68 15.081 11.768 -3.056 1.00 0.00 H new ATOM 0 HB2 TYR A 68 12.882 12.095 -0.996 1.00 0.00 H new ATOM 0 HB3 TYR A 68 14.538 12.536 -0.629 1.00 0.00 H new ATOM 0 HD1 TYR A 68 15.694 14.189 -2.325 1.00 0.00 H new ATOM 0 HD2 TYR A 68 11.475 13.664 -2.040 1.00 0.00 H new ATOM 0 HE1 TYR A 68 15.352 16.372 -3.395 1.00 0.00 H new ATOM 0 HE2 TYR A 68 11.130 15.845 -3.114 1.00 0.00 H new ATOM 0 HH TYR A 68 12.068 17.637 -4.004 1.00 0.00 H new ATOM 1046 N LEU A 69 14.109 9.365 -1.013 1.00 0.00 N ATOM 1047 CA LEU A 69 14.582 8.231 -0.227 1.00 0.00 C ATOM 1048 C LEU A 69 15.486 8.696 0.911 1.00 0.00 C ATOM 1049 O LEU A 69 16.483 8.048 1.228 1.00 0.00 O ATOM 1050 CB LEU A 69 15.336 7.245 -1.121 1.00 0.00 C ATOM 1051 CG LEU A 69 14.486 6.169 -1.800 1.00 0.00 C ATOM 1052 CD1 LEU A 69 15.242 5.548 -2.964 1.00 0.00 C ATOM 1053 CD2 LEU A 69 14.077 5.101 -0.796 1.00 0.00 C ATOM 0 H LEU A 69 13.094 9.453 -1.058 1.00 0.00 H new ATOM 0 HA LEU A 69 13.714 7.732 0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 69 15.856 7.811 -1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 69 16.099 6.751 -0.520 1.00 0.00 H new ATOM 0 HG LEU A 69 13.582 6.638 -2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 69 14.622 4.785 -3.435 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.484 6.320 -3.694 1.00 0.00 H new ATOM 0 HD13 LEU A 69 16.163 5.093 -2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.473 4.344 -1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.969 4.635 -0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.496 5.558 0.005 1.00 0.00 H new ATOM 1065 N GLU A 70 15.128 9.820 1.522 1.00 0.00 N ATOM 1066 CA GLU A 70 15.906 10.370 2.626 1.00 0.00 C ATOM 1067 C GLU A 70 15.146 10.243 3.943 1.00 0.00 C ATOM 1068 O GLU A 70 15.090 11.185 4.733 1.00 0.00 O ATOM 1069 CB GLU A 70 16.244 11.838 2.359 1.00 0.00 C ATOM 1070 CG GLU A 70 17.322 12.032 1.306 1.00 0.00 C ATOM 1071 CD GLU A 70 17.833 13.459 1.249 1.00 0.00 C ATOM 1072 OE1 GLU A 70 18.754 13.791 2.024 1.00 0.00 O ATOM 1073 OE2 GLU A 70 17.311 14.243 0.430 1.00 0.00 O ATOM 0 H GLU A 70 14.305 10.368 1.272 1.00 0.00 H new ATOM 0 HA GLU A 70 16.832 9.800 2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 70 15.340 12.358 2.042 1.00 0.00 H new ATOM 0 HB3 GLU A 70 16.569 12.302 3.290 1.00 0.00 H new ATOM 0 HG2 GLU A 70 18.154 11.360 1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 70 16.925 11.753 0.330 1.00 0.00 H new ATOM 1080 N ASN A 71 14.562 9.072 4.173 1.00 0.00 N ATOM 1081 CA ASN A 71 13.804 8.821 5.393 1.00 0.00 C ATOM 1082 C ASN A 71 14.709 8.276 6.493 1.00 0.00 C ATOM 1083 O ASN A 71 15.682 7.573 6.219 1.00 0.00 O ATOM 1084 CB ASN A 71 12.666 7.836 5.119 1.00 0.00 C ATOM 1085 CG ASN A 71 11.745 7.669 6.312 1.00 0.00 C ATOM 1086 OD1 ASN A 71 11.389 8.642 6.977 1.00 0.00 O ATOM 1087 ND2 ASN A 71 11.356 6.430 6.590 1.00 0.00 N ATOM 0 H ASN A 71 14.599 8.281 3.530 1.00 0.00 H new ATOM 0 HA ASN A 71 13.382 9.768 5.729 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.087 8.183 4.263 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.085 6.867 4.849 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.737 6.255 7.382 1.00 0.00 H new ATOM 0 HD22 ASN A 71 11.676 5.653 6.012 1.00 0.00 H new ATOM 1094 N SER A 72 14.381 8.604 7.739 1.00 0.00 N ATOM 1095 CA SER A 72 15.166 8.150 8.881 1.00 0.00 C ATOM 1096 C SER A 72 14.329 7.263 9.797 1.00 0.00 C ATOM 1097 O SER A 72 13.106 7.197 9.669 1.00 0.00 O ATOM 1098 CB SER A 72 15.705 9.348 9.665 1.00 0.00 C ATOM 1099 OG SER A 72 16.823 9.924 9.011 1.00 0.00 O ATOM 0 H SER A 72 13.577 9.182 7.983 1.00 0.00 H new ATOM 0 HA SER A 72 16.005 7.565 8.504 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.920 10.096 9.777 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.990 9.032 10.668 1.00 0.00 H new ATOM 0 HG SER A 72 17.148 10.689 9.531 1.00 0.00 H new ATOM 1105 N ASP A 73 14.996 6.582 10.723 1.00 0.00 N ATOM 1106 CA ASP A 73 14.315 5.699 11.662 1.00 0.00 C ATOM 1107 C ASP A 73 13.562 6.505 12.716 1.00 0.00 C ATOM 1108 O ASP A 73 13.724 7.721 12.815 1.00 0.00 O ATOM 1109 CB ASP A 73 15.321 4.766 12.338 1.00 0.00 C ATOM 1110 CG ASP A 73 14.646 3.644 13.102 1.00 0.00 C ATOM 1111 OD1 ASP A 73 13.732 3.006 12.537 1.00 0.00 O ATOM 1112 OD2 ASP A 73 15.032 3.401 14.265 1.00 0.00 O ATOM 0 H ASP A 73 16.008 6.625 10.843 1.00 0.00 H new ATOM 0 HA ASP A 73 13.594 5.101 11.104 1.00 0.00 H new ATOM 0 HB2 ASP A 73 15.983 4.341 11.583 1.00 0.00 H new ATOM 0 HB3 ASP A 73 15.945 5.343 13.021 1.00 0.00 H new ATOM 1117 N SER A 74 12.738 5.818 13.501 1.00 0.00 N ATOM 1118 CA SER A 74 11.955 6.471 14.545 1.00 0.00 C ATOM 1119 C SER A 74 11.829 5.572 15.771 1.00 0.00 C ATOM 1120 O SER A 74 11.391 4.426 15.672 1.00 0.00 O ATOM 1121 CB SER A 74 10.565 6.833 14.018 1.00 0.00 C ATOM 1122 OG SER A 74 9.816 5.670 13.714 1.00 0.00 O ATOM 0 H SER A 74 12.595 4.810 13.434 1.00 0.00 H new ATOM 0 HA SER A 74 12.474 7.384 14.837 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.034 7.427 14.762 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.661 7.451 13.125 1.00 0.00 H new ATOM 0 HG SER A 74 10.057 4.953 14.338 1.00 0.00 H new ATOM 1128 N GLY A 75 12.216 6.101 16.928 1.00 0.00 N ATOM 1129 CA GLY A 75 12.139 5.334 18.157 1.00 0.00 C ATOM 1130 C GLY A 75 12.717 6.080 19.343 1.00 0.00 C ATOM 1131 O GLY A 75 13.729 5.681 19.921 1.00 0.00 O ATOM 0 H GLY A 75 12.581 7.047 17.036 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.098 5.084 18.361 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.673 4.393 18.028 1.00 0.00 H new ATOM 1135 N PRO A 76 12.069 7.191 19.722 1.00 0.00 N ATOM 1136 CA PRO A 76 12.508 8.018 20.849 1.00 0.00 C ATOM 1137 C PRO A 76 12.304 7.325 22.192 1.00 0.00 C ATOM 1138 O PRO A 76 13.212 7.278 23.022 1.00 0.00 O ATOM 1139 CB PRO A 76 11.616 9.259 20.747 1.00 0.00 C ATOM 1140 CG PRO A 76 10.395 8.790 20.035 1.00 0.00 C ATOM 1141 CD PRO A 76 10.857 7.725 19.078 1.00 0.00 C ATOM 0 HA PRO A 76 13.575 8.237 20.802 1.00 0.00 H new ATOM 0 HB2 PRO A 76 11.372 9.653 21.733 1.00 0.00 H new ATOM 0 HB3 PRO A 76 12.112 10.059 20.197 1.00 0.00 H new ATOM 0 HG2 PRO A 76 9.662 8.392 20.737 1.00 0.00 H new ATOM 0 HG3 PRO A 76 9.914 9.611 19.503 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.101 6.952 18.941 1.00 0.00 H new ATOM 0 HD3 PRO A 76 11.074 8.137 18.092 1.00 0.00 H new ATOM 1149 N SER A 77 11.107 6.785 22.398 1.00 0.00 N ATOM 1150 CA SER A 77 10.783 6.096 23.642 1.00 0.00 C ATOM 1151 C SER A 77 10.492 4.621 23.385 1.00 0.00 C ATOM 1152 O SER A 77 10.494 4.166 22.241 1.00 0.00 O ATOM 1153 CB SER A 77 9.578 6.756 24.316 1.00 0.00 C ATOM 1154 OG SER A 77 9.623 6.583 25.722 1.00 0.00 O ATOM 0 H SER A 77 10.346 6.811 21.720 1.00 0.00 H new ATOM 0 HA SER A 77 11.645 6.168 24.305 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.561 7.819 24.077 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.657 6.326 23.923 1.00 0.00 H new ATOM 0 HG SER A 77 8.844 7.015 26.130 1.00 0.00 H new ATOM 1160 N SER A 78 10.241 3.878 24.459 1.00 0.00 N ATOM 1161 CA SER A 78 9.952 2.453 24.352 1.00 0.00 C ATOM 1162 C SER A 78 8.495 2.167 24.702 1.00 0.00 C ATOM 1163 O SER A 78 7.773 1.533 23.934 1.00 0.00 O ATOM 1164 CB SER A 78 10.876 1.653 25.272 1.00 0.00 C ATOM 1165 OG SER A 78 10.511 0.284 25.297 1.00 0.00 O ATOM 0 H SER A 78 10.232 4.240 25.413 1.00 0.00 H new ATOM 0 HA SER A 78 10.126 2.148 23.320 1.00 0.00 H new ATOM 0 HB2 SER A 78 11.907 1.751 24.932 1.00 0.00 H new ATOM 0 HB3 SER A 78 10.833 2.063 26.281 1.00 0.00 H new ATOM 0 HG SER A 78 11.118 -0.206 25.891 1.00 0.00 H new ATOM 1171 N GLY A 79 8.069 2.639 25.870 1.00 0.00 N ATOM 1172 CA GLY A 79 6.701 2.424 26.303 1.00 0.00 C ATOM 1173 C GLY A 79 6.551 2.500 27.809 1.00 0.00 C ATOM 1174 O GLY A 79 6.310 3.573 28.362 1.00 0.00 O ATOM 0 H GLY A 79 8.647 3.167 26.524 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.055 3.169 25.839 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.363 1.448 25.956 1.00 0.00 H new TER 1178 GLY A 79