USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 624 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 76 GLN : amide:sc= -3.36! C(o=-3.3!,f=-5!) USER MOD Set 1.2: A 77 THR OG1 : rot 180:sc= 0.0293 USER MOD Set 2.1: A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HE2:sc= -4.88! C(o=-4.9!,f=-11!) USER MOD Single : A 25 ASN : amide:sc= -0.92 K(o=-0.92,f=-0.28) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 110:sc= -0.02 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 150:sc= -1.67! USER MOD Single : A 43 THR OG1 : rot 155:sc= -1.62! USER MOD Single : A 49 MET CE :methyl 145:sc= -0.299 (180deg=-1.25!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -4.37 K(o=-4.4,f=-8!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 152:sc= -0.191 (180deg=-0.788) USER MOD Single : A 62 SER OG : rot 180:sc= -2 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.0892 X(o=-0.089,f=-0.5) USER MOD Single : A 83 MET CE :methyl -163:sc= -1.07 (180deg=-2.01!) USER MOD Single : A 86 ASN : amide:sc= -0.19 K(o=-0.19,f=-1.9!) USER MOD Single : A 92 HIS : no HD1:sc= -0.218 X(o=-0.22,f=-0.44) USER MOD Single : A 95 GLN : amide:sc= -0.311 K(o=-0.31,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 21 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA GLU A 21 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C GLU A 21 3.563 0.211 -0.969 1.00 0.00 C ATOM 4 O GLU A 21 4.216 -0.647 -0.377 1.00 0.00 O ATOM 5 CB GLU A 21 1.538 1.063 -2.207 1.00 0.00 C ATOM 6 CG GLU A 21 0.088 0.768 -2.597 1.00 0.00 C ATOM 7 CD GLU A 21 -0.847 0.931 -1.397 1.00 0.00 C ATOM 8 OE1 GLU A 21 -1.556 -0.017 -1.030 1.00 0.00 O ATOM 9 OE2 GLU A 21 -0.820 2.094 -0.838 1.00 0.00 O ATOM 0 HA GLU A 21 1.945 -0.972 -1.722 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.600 2.046 -1.740 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.160 1.095 -3.102 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.221 1.441 -3.397 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.012 -0.247 -2.987 1.00 0.00 H new ATOM 17 N THR A 22 4.058 1.358 -1.412 1.00 0.00 N ATOM 18 CA THR A 22 5.458 1.693 -1.220 1.00 0.00 C ATOM 19 C THR A 22 5.671 3.201 -1.366 1.00 0.00 C ATOM 20 O THR A 22 5.069 3.836 -2.231 1.00 0.00 O ATOM 21 CB THR A 22 6.282 0.865 -2.207 1.00 0.00 C ATOM 22 OG1 THR A 22 7.475 0.557 -1.492 1.00 0.00 O ATOM 23 CG2 THR A 22 6.766 1.689 -3.402 1.00 0.00 C ATOM 0 H THR A 22 3.514 2.067 -1.903 1.00 0.00 H new ATOM 0 HA THR A 22 5.788 1.446 -0.211 1.00 0.00 H new ATOM 0 HB THR A 22 5.684 0.026 -2.563 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.067 0.019 -2.059 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.346 1.053 -4.071 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.907 2.092 -3.938 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.391 2.509 -3.049 1.00 0.00 H new ATOM 31 N HIS A 23 6.529 3.732 -0.507 1.00 0.00 N ATOM 32 CA HIS A 23 6.829 5.153 -0.530 1.00 0.00 C ATOM 33 C HIS A 23 7.908 5.433 -1.577 1.00 0.00 C ATOM 34 O HIS A 23 9.000 4.870 -1.515 1.00 0.00 O ATOM 35 CB HIS A 23 7.213 5.650 0.865 1.00 0.00 C ATOM 36 CG HIS A 23 8.000 6.939 0.863 1.00 0.00 C ATOM 37 ND1 HIS A 23 8.007 7.811 -0.212 1.00 0.00 N ATOM 38 CD2 HIS A 23 8.803 7.494 1.815 1.00 0.00 C ATOM 39 CE1 HIS A 23 8.784 8.840 0.091 1.00 0.00 C ATOM 40 NE2 HIS A 23 9.277 8.642 1.347 1.00 0.00 N ATOM 0 H HIS A 23 7.026 3.203 0.210 1.00 0.00 H new ATOM 0 HA HIS A 23 5.939 5.711 -0.819 1.00 0.00 H new ATOM 0 HB2 HIS A 23 6.305 5.791 1.452 1.00 0.00 H new ATOM 0 HB3 HIS A 23 7.799 4.879 1.365 1.00 0.00 H new ATOM 0 HD1 HIS A 23 7.500 7.683 -1.088 1.00 0.00 H new ATOM 0 HD2 HIS A 23 9.017 7.071 2.785 1.00 0.00 H new ATOM 0 HE1 HIS A 23 8.991 9.688 -0.545 1.00 0.00 H new ATOM 48 N ILE A 24 7.565 6.304 -2.516 1.00 0.00 N ATOM 49 CA ILE A 24 8.491 6.666 -3.575 1.00 0.00 C ATOM 50 C ILE A 24 8.205 8.098 -4.030 1.00 0.00 C ATOM 51 O ILE A 24 7.317 8.758 -3.492 1.00 0.00 O ATOM 52 CB ILE A 24 8.437 5.639 -4.708 1.00 0.00 C ATOM 53 CG1 ILE A 24 7.432 6.060 -5.782 1.00 0.00 C ATOM 54 CG2 ILE A 24 8.143 4.239 -4.165 1.00 0.00 C ATOM 55 CD1 ILE A 24 7.436 5.075 -6.953 1.00 0.00 C ATOM 0 H ILE A 24 6.659 6.769 -2.565 1.00 0.00 H new ATOM 0 HA ILE A 24 9.517 6.647 -3.207 1.00 0.00 H new ATOM 0 HB ILE A 24 9.418 5.601 -5.182 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.433 6.112 -5.350 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.676 7.059 -6.142 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.110 3.528 -4.991 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.927 3.948 -3.466 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.182 4.243 -3.651 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.713 5.398 -7.702 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.430 5.043 -7.398 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.168 4.082 -6.594 1.00 0.00 H new ATOM 67 N ASN A 25 8.974 8.537 -5.015 1.00 0.00 N ATOM 68 CA ASN A 25 8.814 9.880 -5.548 1.00 0.00 C ATOM 69 C ASN A 25 8.089 9.807 -6.893 1.00 0.00 C ATOM 70 O ASN A 25 8.334 8.898 -7.686 1.00 0.00 O ATOM 71 CB ASN A 25 10.172 10.546 -5.778 1.00 0.00 C ATOM 72 CG ASN A 25 10.907 9.902 -6.955 1.00 0.00 C ATOM 73 OD1 ASN A 25 11.670 8.962 -6.804 1.00 0.00 O ATOM 74 ND2 ASN A 25 10.635 10.458 -8.132 1.00 0.00 N ATOM 0 H ASN A 25 9.710 7.987 -5.458 1.00 0.00 H new ATOM 0 HA ASN A 25 8.244 10.464 -4.826 1.00 0.00 H new ATOM 0 HB2 ASN A 25 10.031 11.610 -5.971 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.779 10.463 -4.876 1.00 0.00 H new ATOM 0 HD21 ASN A 25 11.075 10.099 -8.979 1.00 0.00 H new ATOM 0 HD22 ASN A 25 9.986 11.243 -8.187 1.00 0.00 H new ATOM 81 N LEU A 26 7.212 10.775 -7.110 1.00 0.00 N ATOM 82 CA LEU A 26 6.450 10.832 -8.346 1.00 0.00 C ATOM 83 C LEU A 26 6.760 12.143 -9.071 1.00 0.00 C ATOM 84 O LEU A 26 7.214 13.106 -8.454 1.00 0.00 O ATOM 85 CB LEU A 26 4.960 10.621 -8.067 1.00 0.00 C ATOM 86 CG LEU A 26 3.996 11.484 -8.884 1.00 0.00 C ATOM 87 CD1 LEU A 26 2.611 10.838 -8.958 1.00 0.00 C ATOM 88 CD2 LEU A 26 3.935 12.910 -8.333 1.00 0.00 C ATOM 0 H LEU A 26 7.012 11.527 -6.451 1.00 0.00 H new ATOM 0 HA LEU A 26 6.744 10.021 -9.013 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.721 9.573 -8.249 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.778 10.810 -7.009 1.00 0.00 H new ATOM 0 HG LEU A 26 4.376 11.549 -9.904 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.945 11.471 -9.544 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.691 9.859 -9.431 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.209 10.722 -7.951 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.243 13.502 -8.932 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.591 12.886 -7.299 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.927 13.359 -8.375 1.00 0.00 H new ATOM 100 N LYS A 27 6.503 12.138 -10.371 1.00 0.00 N ATOM 101 CA LYS A 27 6.749 13.315 -11.187 1.00 0.00 C ATOM 102 C LYS A 27 5.733 13.359 -12.330 1.00 0.00 C ATOM 103 O LYS A 27 5.566 12.380 -13.055 1.00 0.00 O ATOM 104 CB LYS A 27 8.205 13.347 -11.656 1.00 0.00 C ATOM 105 CG LYS A 27 8.539 14.687 -12.315 1.00 0.00 C ATOM 106 CD LYS A 27 7.962 14.762 -13.729 1.00 0.00 C ATOM 107 CE LYS A 27 9.059 15.055 -14.755 1.00 0.00 C ATOM 108 NZ LYS A 27 9.542 13.799 -15.370 1.00 0.00 N ATOM 0 H LYS A 27 6.127 11.338 -10.879 1.00 0.00 H new ATOM 0 HA LYS A 27 6.608 14.222 -10.600 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.868 13.180 -10.807 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.381 12.536 -12.363 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.140 15.502 -11.712 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.620 14.818 -12.352 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.471 13.821 -13.975 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.200 15.540 -13.774 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.674 15.721 -15.528 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.888 15.573 -14.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.286 14.016 -16.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.928 13.177 -14.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.752 13.320 -15.848 1.00 0.00 H new ATOM 121 N VAL A 28 5.081 14.506 -12.456 1.00 0.00 N ATOM 122 CA VAL A 28 4.086 14.691 -13.498 1.00 0.00 C ATOM 123 C VAL A 28 4.627 15.665 -14.547 1.00 0.00 C ATOM 124 O VAL A 28 5.127 16.735 -14.205 1.00 0.00 O ATOM 125 CB VAL A 28 2.762 15.149 -12.883 1.00 0.00 C ATOM 126 CG1 VAL A 28 2.553 14.524 -11.502 1.00 0.00 C ATOM 127 CG2 VAL A 28 2.691 16.676 -12.810 1.00 0.00 C ATOM 0 H VAL A 28 5.223 15.317 -11.853 1.00 0.00 H new ATOM 0 HA VAL A 28 3.884 13.747 -14.004 1.00 0.00 H new ATOM 0 HB VAL A 28 1.955 14.806 -13.531 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.605 14.866 -11.088 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.539 13.438 -11.593 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.367 14.822 -10.841 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.740 16.975 -12.369 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.510 17.049 -12.195 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.772 17.092 -13.814 1.00 0.00 H new ATOM 137 N SER A 29 4.509 15.258 -15.802 1.00 0.00 N ATOM 138 CA SER A 29 4.980 16.082 -16.903 1.00 0.00 C ATOM 139 C SER A 29 3.831 16.367 -17.872 1.00 0.00 C ATOM 140 O SER A 29 3.277 15.447 -18.472 1.00 0.00 O ATOM 141 CB SER A 29 6.139 15.407 -17.638 1.00 0.00 C ATOM 142 OG SER A 29 6.411 14.105 -17.127 1.00 0.00 O ATOM 0 H SER A 29 4.094 14.369 -16.081 1.00 0.00 H new ATOM 0 HA SER A 29 5.344 17.025 -16.494 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.903 15.337 -18.700 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.033 16.025 -17.550 1.00 0.00 H new ATOM 0 HG SER A 29 7.156 13.708 -17.624 1.00 0.00 H new ATOM 148 N ASP A 30 3.506 17.646 -17.995 1.00 0.00 N ATOM 149 CA ASP A 30 2.433 18.064 -18.881 1.00 0.00 C ATOM 150 C ASP A 30 2.909 19.245 -19.729 1.00 0.00 C ATOM 151 O ASP A 30 3.941 19.847 -19.437 1.00 0.00 O ATOM 152 CB ASP A 30 1.207 18.517 -18.085 1.00 0.00 C ATOM 153 CG ASP A 30 0.263 19.460 -18.834 1.00 0.00 C ATOM 154 OD1 ASP A 30 -0.861 19.083 -19.197 1.00 0.00 O ATOM 155 OD2 ASP A 30 0.729 20.644 -19.044 1.00 0.00 O ATOM 0 H ASP A 30 3.967 18.406 -17.496 1.00 0.00 H new ATOM 0 HA ASP A 30 2.162 17.214 -19.508 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.646 17.635 -17.777 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.546 19.013 -17.175 1.00 0.00 H new ATOM 161 N GLY A 31 2.133 19.541 -20.762 1.00 0.00 N ATOM 162 CA GLY A 31 2.463 20.639 -21.654 1.00 0.00 C ATOM 163 C GLY A 31 3.443 21.609 -20.992 1.00 0.00 C ATOM 164 O GLY A 31 4.623 21.637 -21.339 1.00 0.00 O ATOM 0 H GLY A 31 1.277 19.040 -21.001 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.899 20.247 -22.573 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.553 21.170 -21.934 1.00 0.00 H new ATOM 168 N SER A 32 2.919 22.380 -20.051 1.00 0.00 N ATOM 169 CA SER A 32 3.733 23.348 -19.337 1.00 0.00 C ATOM 170 C SER A 32 3.685 23.066 -17.834 1.00 0.00 C ATOM 171 O SER A 32 4.351 23.741 -17.050 1.00 0.00 O ATOM 172 CB SER A 32 3.269 24.777 -19.624 1.00 0.00 C ATOM 173 OG SER A 32 4.345 25.617 -20.034 1.00 0.00 O ATOM 0 H SER A 32 1.940 22.354 -19.766 1.00 0.00 H new ATOM 0 HA SER A 32 4.761 23.252 -19.685 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.506 24.761 -20.402 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.805 25.193 -18.730 1.00 0.00 H new ATOM 0 HG SER A 32 4.007 26.520 -20.209 1.00 0.00 H new ATOM 179 N SER A 33 2.890 22.068 -17.477 1.00 0.00 N ATOM 180 CA SER A 33 2.745 21.689 -16.081 1.00 0.00 C ATOM 181 C SER A 33 3.629 20.478 -15.774 1.00 0.00 C ATOM 182 O SER A 33 3.264 19.345 -16.081 1.00 0.00 O ATOM 183 CB SER A 33 1.285 21.380 -15.743 1.00 0.00 C ATOM 184 OG SER A 33 0.802 22.190 -14.675 1.00 0.00 O ATOM 0 H SER A 33 2.340 21.510 -18.130 1.00 0.00 H new ATOM 0 HA SER A 33 3.062 22.529 -15.463 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.667 21.539 -16.627 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.190 20.328 -15.472 1.00 0.00 H new ATOM 0 HG SER A 33 0.151 22.835 -15.022 1.00 0.00 H new ATOM 190 N GLU A 34 4.775 20.760 -15.172 1.00 0.00 N ATOM 191 CA GLU A 34 5.714 19.709 -14.820 1.00 0.00 C ATOM 192 C GLU A 34 6.318 19.977 -13.440 1.00 0.00 C ATOM 193 O GLU A 34 7.005 20.979 -13.243 1.00 0.00 O ATOM 194 CB GLU A 34 6.808 19.573 -15.881 1.00 0.00 C ATOM 195 CG GLU A 34 7.976 18.732 -15.360 1.00 0.00 C ATOM 196 CD GLU A 34 9.240 19.581 -15.212 1.00 0.00 C ATOM 197 OE1 GLU A 34 10.029 19.689 -16.162 1.00 0.00 O ATOM 198 OE2 GLU A 34 9.388 20.142 -14.060 1.00 0.00 O ATOM 0 H GLU A 34 5.074 21.702 -14.919 1.00 0.00 H new ATOM 0 HA GLU A 34 5.173 18.764 -14.781 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.394 19.111 -16.778 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.166 20.562 -16.168 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.713 18.295 -14.397 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.167 17.905 -16.044 1.00 0.00 H new ATOM 206 N ILE A 35 6.041 19.064 -12.521 1.00 0.00 N ATOM 207 CA ILE A 35 6.549 19.189 -11.165 1.00 0.00 C ATOM 208 C ILE A 35 6.889 17.800 -10.622 1.00 0.00 C ATOM 209 O ILE A 35 6.351 16.798 -11.090 1.00 0.00 O ATOM 210 CB ILE A 35 5.561 19.966 -10.293 1.00 0.00 C ATOM 211 CG1 ILE A 35 6.288 20.711 -9.171 1.00 0.00 C ATOM 212 CG2 ILE A 35 4.465 19.045 -9.752 1.00 0.00 C ATOM 213 CD1 ILE A 35 6.798 22.070 -9.657 1.00 0.00 C ATOM 0 H ILE A 35 5.471 18.235 -12.688 1.00 0.00 H new ATOM 0 HA ILE A 35 7.472 19.769 -11.155 1.00 0.00 H new ATOM 0 HB ILE A 35 5.073 20.716 -10.915 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.613 20.852 -8.327 1.00 0.00 H new ATOM 0 HG13 ILE A 35 7.125 20.111 -8.814 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.776 19.622 -9.135 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.921 18.599 -10.584 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.917 18.256 -9.150 1.00 0.00 H new ATOM 0 HD11 ILE A 35 7.311 22.579 -8.841 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.491 21.923 -10.486 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.956 22.676 -9.991 1.00 0.00 H new ATOM 225 N PHE A 36 7.780 17.785 -9.642 1.00 0.00 N ATOM 226 CA PHE A 36 8.198 16.535 -9.030 1.00 0.00 C ATOM 227 C PHE A 36 8.182 16.639 -7.503 1.00 0.00 C ATOM 228 O PHE A 36 8.733 17.582 -6.936 1.00 0.00 O ATOM 229 CB PHE A 36 9.630 16.266 -9.496 1.00 0.00 C ATOM 230 CG PHE A 36 10.428 17.531 -9.817 1.00 0.00 C ATOM 231 CD1 PHE A 36 11.044 18.218 -8.819 1.00 0.00 C ATOM 232 CD2 PHE A 36 10.522 17.968 -11.102 1.00 0.00 C ATOM 233 CE1 PHE A 36 11.785 19.393 -9.117 1.00 0.00 C ATOM 234 CE2 PHE A 36 11.262 19.142 -11.401 1.00 0.00 C ATOM 235 CZ PHE A 36 11.878 19.830 -10.402 1.00 0.00 C ATOM 0 H PHE A 36 8.224 18.618 -9.256 1.00 0.00 H new ATOM 0 HA PHE A 36 7.518 15.734 -9.320 1.00 0.00 H new ATOM 0 HB2 PHE A 36 10.154 15.705 -8.722 1.00 0.00 H new ATOM 0 HB3 PHE A 36 9.600 15.633 -10.383 1.00 0.00 H new ATOM 0 HD1 PHE A 36 10.970 17.871 -7.799 1.00 0.00 H new ATOM 0 HD2 PHE A 36 10.033 17.421 -11.895 1.00 0.00 H new ATOM 0 HE1 PHE A 36 12.274 19.939 -8.324 1.00 0.00 H new ATOM 0 HE2 PHE A 36 11.336 19.489 -12.421 1.00 0.00 H new ATOM 0 HZ PHE A 36 12.441 20.723 -10.629 1.00 0.00 H new ATOM 245 N PHE A 37 7.545 15.658 -6.882 1.00 0.00 N ATOM 246 CA PHE A 37 7.450 15.628 -5.432 1.00 0.00 C ATOM 247 C PHE A 37 7.523 14.193 -4.908 1.00 0.00 C ATOM 248 O PHE A 37 7.297 13.242 -5.655 1.00 0.00 O ATOM 249 CB PHE A 37 6.091 16.225 -5.060 1.00 0.00 C ATOM 250 CG PHE A 37 6.108 17.744 -4.879 1.00 0.00 C ATOM 251 CD1 PHE A 37 6.880 18.305 -3.911 1.00 0.00 C ATOM 252 CD2 PHE A 37 5.350 18.534 -5.687 1.00 0.00 C ATOM 253 CE1 PHE A 37 6.896 19.715 -3.742 1.00 0.00 C ATOM 254 CE2 PHE A 37 5.365 19.944 -5.519 1.00 0.00 C ATOM 255 CZ PHE A 37 6.138 20.505 -4.550 1.00 0.00 C ATOM 0 H PHE A 37 7.090 14.878 -7.356 1.00 0.00 H new ATOM 0 HA PHE A 37 8.275 16.189 -4.994 1.00 0.00 H new ATOM 0 HB2 PHE A 37 5.369 15.970 -5.836 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.743 15.763 -4.136 1.00 0.00 H new ATOM 0 HD1 PHE A 37 7.482 17.678 -3.270 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.737 18.089 -6.456 1.00 0.00 H new ATOM 0 HE1 PHE A 37 7.509 20.160 -2.973 1.00 0.00 H new ATOM 0 HE2 PHE A 37 4.763 20.571 -6.160 1.00 0.00 H new ATOM 0 HZ PHE A 37 6.150 21.577 -4.422 1.00 0.00 H new ATOM 265 N LYS A 38 7.841 14.080 -3.626 1.00 0.00 N ATOM 266 CA LYS A 38 7.947 12.777 -2.993 1.00 0.00 C ATOM 267 C LYS A 38 6.639 12.460 -2.265 1.00 0.00 C ATOM 268 O LYS A 38 6.100 13.307 -1.554 1.00 0.00 O ATOM 269 CB LYS A 38 9.183 12.718 -2.092 1.00 0.00 C ATOM 270 CG LYS A 38 10.443 13.117 -2.863 1.00 0.00 C ATOM 271 CD LYS A 38 10.797 14.584 -2.613 1.00 0.00 C ATOM 272 CE LYS A 38 11.891 15.056 -3.573 1.00 0.00 C ATOM 273 NZ LYS A 38 13.196 15.124 -2.878 1.00 0.00 N ATOM 0 H LYS A 38 8.029 14.870 -3.009 1.00 0.00 H new ATOM 0 HA LYS A 38 8.091 12.000 -3.743 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.048 13.384 -1.239 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.300 11.710 -1.694 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.275 12.482 -2.560 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.288 12.953 -3.929 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.908 15.202 -2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.132 14.710 -1.584 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.959 14.374 -4.420 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.634 16.037 -3.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.927 15.446 -3.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.132 15.793 -2.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.447 14.181 -2.517 1.00 0.00 H new ATOM 286 N ILE A 39 6.167 11.239 -2.467 1.00 0.00 N ATOM 287 CA ILE A 39 4.933 10.800 -1.838 1.00 0.00 C ATOM 288 C ILE A 39 5.146 9.419 -1.216 1.00 0.00 C ATOM 289 O ILE A 39 6.131 8.745 -1.513 1.00 0.00 O ATOM 290 CB ILE A 39 3.775 10.853 -2.836 1.00 0.00 C ATOM 291 CG1 ILE A 39 3.482 12.294 -3.259 1.00 0.00 C ATOM 292 CG2 ILE A 39 2.534 10.157 -2.274 1.00 0.00 C ATOM 293 CD1 ILE A 39 4.317 12.689 -4.479 1.00 0.00 C ATOM 0 H ILE A 39 6.617 10.540 -3.058 1.00 0.00 H new ATOM 0 HA ILE A 39 4.657 11.475 -1.028 1.00 0.00 H new ATOM 0 HB ILE A 39 4.071 10.308 -3.732 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.422 12.400 -3.490 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.698 12.970 -2.432 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.726 10.209 -3.004 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.766 9.113 -2.064 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.225 10.652 -1.354 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.089 13.718 -4.758 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.377 12.605 -4.237 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.081 12.026 -5.312 1.00 0.00 H new ATOM 305 N LYS A 40 4.205 9.037 -0.364 1.00 0.00 N ATOM 306 CA LYS A 40 4.277 7.748 0.302 1.00 0.00 C ATOM 307 C LYS A 40 3.386 6.747 -0.435 1.00 0.00 C ATOM 308 O LYS A 40 2.454 6.194 0.146 1.00 0.00 O ATOM 309 CB LYS A 40 3.940 7.893 1.788 1.00 0.00 C ATOM 310 CG LYS A 40 5.154 8.383 2.580 1.00 0.00 C ATOM 311 CD LYS A 40 5.485 9.836 2.234 1.00 0.00 C ATOM 312 CE LYS A 40 5.642 10.679 3.502 1.00 0.00 C ATOM 313 NZ LYS A 40 7.010 11.238 3.585 1.00 0.00 N ATOM 0 H LYS A 40 3.389 9.598 -0.120 1.00 0.00 H new ATOM 0 HA LYS A 40 5.294 7.357 0.266 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.114 8.594 1.911 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.606 6.934 2.184 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.955 8.296 3.648 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.014 7.749 2.363 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.405 9.874 1.651 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.695 10.254 1.610 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.911 11.488 3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.439 10.067 4.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.100 11.807 4.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.702 10.462 3.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.191 11.839 2.755 1.00 0.00 H new ATOM 326 N LYS A 41 3.705 6.544 -1.705 1.00 0.00 N ATOM 327 CA LYS A 41 2.945 5.619 -2.529 1.00 0.00 C ATOM 328 C LYS A 41 3.529 5.603 -3.943 1.00 0.00 C ATOM 329 O LYS A 41 3.827 6.654 -4.507 1.00 0.00 O ATOM 330 CB LYS A 41 1.454 5.961 -2.483 1.00 0.00 C ATOM 331 CG LYS A 41 0.632 4.769 -1.989 1.00 0.00 C ATOM 332 CD LYS A 41 -0.818 4.866 -2.468 1.00 0.00 C ATOM 333 CE LYS A 41 -1.748 5.264 -1.321 1.00 0.00 C ATOM 334 NZ LYS A 41 -3.082 4.646 -1.497 1.00 0.00 N ATOM 0 H LYS A 41 4.479 7.004 -2.184 1.00 0.00 H new ATOM 0 HA LYS A 41 3.028 4.605 -2.138 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.294 6.815 -1.825 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.114 6.255 -3.476 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.077 3.842 -2.350 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.657 4.732 -0.900 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.891 5.599 -3.271 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.133 3.908 -2.881 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.318 4.950 -0.370 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.845 6.349 -1.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.701 4.926 -0.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.497 4.966 -2.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.986 3.611 -1.510 1.00 0.00 H new ATOM 347 N THR A 42 3.675 4.398 -4.475 1.00 0.00 N ATOM 348 CA THR A 42 4.218 4.231 -5.812 1.00 0.00 C ATOM 349 C THR A 42 3.107 4.346 -6.857 1.00 0.00 C ATOM 350 O THR A 42 3.294 4.969 -7.901 1.00 0.00 O ATOM 351 CB THR A 42 4.959 2.894 -5.858 1.00 0.00 C ATOM 352 OG1 THR A 42 4.974 2.552 -7.241 1.00 0.00 O ATOM 353 CG2 THR A 42 4.165 1.761 -5.203 1.00 0.00 C ATOM 0 H THR A 42 3.427 3.528 -4.004 1.00 0.00 H new ATOM 0 HA THR A 42 4.929 5.021 -6.051 1.00 0.00 H new ATOM 0 HB THR A 42 5.923 2.997 -5.360 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.777 2.026 -7.439 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.736 0.835 -5.263 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.978 2.005 -4.157 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.215 1.636 -5.722 1.00 0.00 H new ATOM 361 N THR A 43 1.974 3.736 -6.540 1.00 0.00 N ATOM 362 CA THR A 43 0.833 3.762 -7.439 1.00 0.00 C ATOM 363 C THR A 43 0.745 5.114 -8.149 1.00 0.00 C ATOM 364 O THR A 43 0.241 6.084 -7.586 1.00 0.00 O ATOM 365 CB THR A 43 -0.417 3.421 -6.625 1.00 0.00 C ATOM 366 OG1 THR A 43 -1.491 3.939 -7.405 1.00 0.00 O ATOM 367 CG2 THR A 43 -0.496 4.206 -5.315 1.00 0.00 C ATOM 0 H THR A 43 1.822 3.221 -5.673 1.00 0.00 H new ATOM 0 HA THR A 43 0.936 3.020 -8.231 1.00 0.00 H new ATOM 0 HB THR A 43 -0.428 2.353 -6.409 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.313 3.447 -7.198 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.402 3.926 -4.777 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.376 3.979 -4.701 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.518 5.274 -5.532 1.00 0.00 H new ATOM 375 N PRO A 44 1.256 5.135 -9.410 1.00 0.00 N ATOM 376 CA PRO A 44 1.240 6.352 -10.203 1.00 0.00 C ATOM 377 C PRO A 44 -0.166 6.643 -10.732 1.00 0.00 C ATOM 378 O PRO A 44 -0.650 7.770 -10.632 1.00 0.00 O ATOM 379 CB PRO A 44 2.252 6.113 -11.311 1.00 0.00 C ATOM 380 CG PRO A 44 2.456 4.607 -11.372 1.00 0.00 C ATOM 381 CD PRO A 44 1.860 4.006 -10.109 1.00 0.00 C ATOM 0 HA PRO A 44 1.505 7.235 -9.622 1.00 0.00 H new ATOM 0 HB2 PRO A 44 1.886 6.496 -12.263 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.190 6.626 -11.100 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.974 4.192 -12.257 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.517 4.368 -11.445 1.00 0.00 H new ATOM 0 HD2 PRO A 44 1.118 3.244 -10.346 1.00 0.00 H new ATOM 0 HD3 PRO A 44 2.626 3.527 -9.499 1.00 0.00 H new ATOM 389 N LEU A 45 -0.784 5.608 -11.282 1.00 0.00 N ATOM 390 CA LEU A 45 -2.125 5.739 -11.826 1.00 0.00 C ATOM 391 C LEU A 45 -2.994 6.526 -10.844 1.00 0.00 C ATOM 392 O LEU A 45 -3.599 7.532 -11.213 1.00 0.00 O ATOM 393 CB LEU A 45 -2.693 4.365 -12.185 1.00 0.00 C ATOM 394 CG LEU A 45 -2.944 3.415 -11.012 1.00 0.00 C ATOM 395 CD1 LEU A 45 -3.723 2.178 -11.465 1.00 0.00 C ATOM 396 CD2 LEU A 45 -1.633 3.043 -10.317 1.00 0.00 C ATOM 0 H LEU A 45 -0.381 4.675 -11.363 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.105 6.304 -12.758 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.633 4.510 -12.717 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.006 3.880 -12.879 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.561 3.934 -10.279 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.888 1.519 -10.612 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.684 2.484 -11.878 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.153 1.648 -12.228 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.840 2.367 -9.487 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.971 2.551 -11.029 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.153 3.945 -9.939 1.00 0.00 H new ATOM 408 N ARG A 46 -3.029 6.039 -9.612 1.00 0.00 N ATOM 409 CA ARG A 46 -3.815 6.685 -8.574 1.00 0.00 C ATOM 410 C ARG A 46 -3.131 7.975 -8.116 1.00 0.00 C ATOM 411 O ARG A 46 -3.796 8.975 -7.851 1.00 0.00 O ATOM 412 CB ARG A 46 -4.004 5.760 -7.370 1.00 0.00 C ATOM 413 CG ARG A 46 -4.939 4.599 -7.712 1.00 0.00 C ATOM 414 CD ARG A 46 -5.063 3.629 -6.535 1.00 0.00 C ATOM 415 NE ARG A 46 -4.680 2.265 -6.961 1.00 0.00 N ATOM 416 CZ ARG A 46 -5.049 1.138 -6.315 1.00 0.00 C ATOM 417 NH1 ARG A 46 -5.815 1.205 -5.205 1.00 0.00 N ATOM 418 NH2 ARG A 46 -4.649 -0.029 -6.784 1.00 0.00 N ATOM 0 H ARG A 46 -2.526 5.205 -9.309 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.793 6.918 -8.995 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.037 5.371 -7.051 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -4.412 6.326 -6.533 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.924 4.986 -7.974 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.561 4.069 -8.586 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.424 3.956 -5.715 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.087 3.628 -6.160 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.101 2.170 -7.795 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.119 2.111 -4.849 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.090 0.349 -4.723 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.070 -0.070 -7.623 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.919 -0.890 -6.308 1.00 0.00 H new ATOM 431 N ARG A 47 -1.810 7.910 -8.036 1.00 0.00 N ATOM 432 CA ARG A 47 -1.028 9.060 -7.614 1.00 0.00 C ATOM 433 C ARG A 47 -1.203 10.213 -8.604 1.00 0.00 C ATOM 434 O ARG A 47 -1.943 11.158 -8.337 1.00 0.00 O ATOM 435 CB ARG A 47 0.457 8.707 -7.508 1.00 0.00 C ATOM 436 CG ARG A 47 0.782 8.105 -6.140 1.00 0.00 C ATOM 437 CD ARG A 47 1.290 9.179 -5.175 1.00 0.00 C ATOM 438 NE ARG A 47 0.229 10.181 -4.929 1.00 0.00 N ATOM 439 CZ ARG A 47 -0.764 10.025 -4.027 1.00 0.00 C ATOM 440 NH1 ARG A 47 -0.840 8.905 -3.278 1.00 0.00 N ATOM 441 NH2 ARG A 47 -1.660 10.985 -3.889 1.00 0.00 N ATOM 0 H ARG A 47 -1.261 7.079 -8.256 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.388 9.364 -6.631 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.723 7.999 -8.293 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.059 9.601 -7.668 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.108 7.631 -5.726 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.536 7.325 -6.251 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.593 8.720 -4.234 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.172 9.666 -5.591 1.00 0.00 H new ATOM 0 HE ARG A 47 0.249 11.043 -5.474 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.144 8.168 -3.391 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.593 8.796 -2.599 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.596 11.828 -4.459 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.416 10.883 -3.212 1.00 0.00 H new ATOM 454 N LEU A 48 -0.509 10.096 -9.727 1.00 0.00 N ATOM 455 CA LEU A 48 -0.578 11.117 -10.759 1.00 0.00 C ATOM 456 C LEU A 48 -2.029 11.575 -10.920 1.00 0.00 C ATOM 457 O LEU A 48 -2.290 12.760 -11.126 1.00 0.00 O ATOM 458 CB LEU A 48 0.055 10.611 -12.056 1.00 0.00 C ATOM 459 CG LEU A 48 0.895 11.627 -12.833 1.00 0.00 C ATOM 460 CD1 LEU A 48 2.351 11.170 -12.937 1.00 0.00 C ATOM 461 CD2 LEU A 48 0.283 11.907 -14.208 1.00 0.00 C ATOM 0 H LEU A 48 0.104 9.310 -9.945 1.00 0.00 H new ATOM 0 HA LEU A 48 0.003 11.993 -10.469 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.685 9.754 -11.819 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.740 10.251 -12.709 1.00 0.00 H new ATOM 0 HG LEU A 48 0.891 12.567 -12.281 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.926 11.910 -13.494 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.771 11.062 -11.937 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.395 10.212 -13.455 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.899 12.632 -14.740 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.237 10.981 -14.781 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.723 12.308 -14.084 1.00 0.00 H new ATOM 473 N MET A 49 -2.934 10.613 -10.820 1.00 0.00 N ATOM 474 CA MET A 49 -4.352 10.903 -10.953 1.00 0.00 C ATOM 475 C MET A 49 -4.711 12.217 -10.255 1.00 0.00 C ATOM 476 O MET A 49 -5.446 13.035 -10.804 1.00 0.00 O ATOM 477 CB MET A 49 -5.166 9.761 -10.341 1.00 0.00 C ATOM 478 CG MET A 49 -6.073 9.112 -11.389 1.00 0.00 C ATOM 479 SD MET A 49 -7.741 8.996 -10.765 1.00 0.00 S ATOM 480 CE MET A 49 -8.094 10.726 -10.499 1.00 0.00 C ATOM 0 H MET A 49 -2.713 9.632 -10.648 1.00 0.00 H new ATOM 0 HA MET A 49 -4.586 11.001 -12.013 1.00 0.00 H new ATOM 0 HB2 MET A 49 -4.493 9.012 -9.924 1.00 0.00 H new ATOM 0 HB3 MET A 49 -5.770 10.141 -9.517 1.00 0.00 H new ATOM 0 HG2 MET A 49 -6.060 9.699 -12.307 1.00 0.00 H new ATOM 0 HG3 MET A 49 -5.700 8.119 -11.640 1.00 0.00 H new ATOM 0 HE1 MET A 49 -9.144 10.921 -10.718 1.00 0.00 H new ATOM 0 HE2 MET A 49 -7.886 10.984 -9.461 1.00 0.00 H new ATOM 0 HE3 MET A 49 -7.468 11.330 -11.156 1.00 0.00 H new ATOM 490 N GLU A 50 -4.174 12.378 -9.054 1.00 0.00 N ATOM 491 CA GLU A 50 -4.428 13.578 -8.275 1.00 0.00 C ATOM 492 C GLU A 50 -3.237 14.534 -8.370 1.00 0.00 C ATOM 493 O GLU A 50 -3.417 15.745 -8.483 1.00 0.00 O ATOM 494 CB GLU A 50 -4.738 13.230 -6.818 1.00 0.00 C ATOM 495 CG GLU A 50 -5.799 14.172 -6.243 1.00 0.00 C ATOM 496 CD GLU A 50 -6.199 13.748 -4.829 1.00 0.00 C ATOM 497 OE1 GLU A 50 -5.327 13.556 -3.969 1.00 0.00 O ATOM 498 OE2 GLU A 50 -7.469 13.619 -4.637 1.00 0.00 O ATOM 0 H GLU A 50 -3.564 11.697 -8.602 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.304 14.078 -8.688 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.088 12.200 -6.753 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.827 13.296 -6.223 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.414 15.192 -6.226 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.677 14.174 -6.888 1.00 0.00 H new ATOM 506 N ALA A 51 -2.048 13.953 -8.319 1.00 0.00 N ATOM 507 CA ALA A 51 -0.828 14.738 -8.398 1.00 0.00 C ATOM 508 C ALA A 51 -0.897 15.661 -9.616 1.00 0.00 C ATOM 509 O ALA A 51 -0.941 16.882 -9.473 1.00 0.00 O ATOM 510 CB ALA A 51 0.381 13.801 -8.445 1.00 0.00 C ATOM 0 H ALA A 51 -1.903 12.948 -8.224 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.720 15.366 -7.514 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.296 14.390 -8.504 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.402 13.188 -7.544 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.308 13.156 -9.321 1.00 0.00 H new ATOM 516 N PHE A 52 -0.906 15.042 -10.788 1.00 0.00 N ATOM 517 CA PHE A 52 -0.970 15.792 -12.030 1.00 0.00 C ATOM 518 C PHE A 52 -2.121 16.801 -12.003 1.00 0.00 C ATOM 519 O PHE A 52 -1.976 17.926 -12.480 1.00 0.00 O ATOM 520 CB PHE A 52 -1.221 14.781 -13.151 1.00 0.00 C ATOM 521 CG PHE A 52 -2.462 15.082 -13.994 1.00 0.00 C ATOM 522 CD1 PHE A 52 -2.552 16.255 -14.677 1.00 0.00 C ATOM 523 CD2 PHE A 52 -3.474 14.176 -14.061 1.00 0.00 C ATOM 524 CE1 PHE A 52 -3.704 16.534 -15.459 1.00 0.00 C ATOM 525 CE2 PHE A 52 -4.626 14.455 -14.844 1.00 0.00 C ATOM 526 CZ PHE A 52 -4.716 15.628 -15.526 1.00 0.00 C ATOM 0 H PHE A 52 -0.870 14.029 -10.903 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.042 16.344 -12.179 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.349 14.754 -13.804 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.323 13.788 -12.714 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.748 16.974 -14.625 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.402 13.245 -13.519 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.776 17.466 -16.001 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.430 13.736 -14.898 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.592 15.840 -16.121 1.00 0.00 H new ATOM 536 N ALA A 53 -3.237 16.362 -11.440 1.00 0.00 N ATOM 537 CA ALA A 53 -4.411 17.213 -11.344 1.00 0.00 C ATOM 538 C ALA A 53 -4.205 18.235 -10.224 1.00 0.00 C ATOM 539 O ALA A 53 -5.048 19.105 -10.010 1.00 0.00 O ATOM 540 CB ALA A 53 -5.652 16.346 -11.122 1.00 0.00 C ATOM 0 H ALA A 53 -3.353 15.428 -11.046 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.561 17.767 -12.271 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -6.533 16.984 -11.050 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.770 15.658 -11.959 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.539 15.778 -10.199 1.00 0.00 H new ATOM 546 N LYS A 54 -3.080 18.096 -9.539 1.00 0.00 N ATOM 547 CA LYS A 54 -2.752 18.996 -8.447 1.00 0.00 C ATOM 548 C LYS A 54 -2.006 20.212 -9.000 1.00 0.00 C ATOM 549 O LYS A 54 -2.092 21.305 -8.441 1.00 0.00 O ATOM 550 CB LYS A 54 -1.988 18.252 -7.350 1.00 0.00 C ATOM 551 CG LYS A 54 -2.473 18.674 -5.961 1.00 0.00 C ATOM 552 CD LYS A 54 -3.843 18.066 -5.651 1.00 0.00 C ATOM 553 CE LYS A 54 -3.967 17.723 -4.165 1.00 0.00 C ATOM 554 NZ LYS A 54 -5.368 17.878 -3.713 1.00 0.00 N ATOM 0 H LYS A 54 -2.384 17.373 -9.719 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.661 19.368 -7.974 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.121 17.177 -7.474 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.921 18.454 -7.444 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.752 18.357 -5.208 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.533 19.761 -5.907 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.628 18.767 -5.933 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.989 17.167 -6.249 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.634 16.699 -3.993 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.316 18.373 -3.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.435 17.641 -2.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.673 18.861 -3.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.982 17.240 -4.259 1.00 0.00 H new ATOM 567 N ARG A 55 -1.291 19.981 -10.090 1.00 0.00 N ATOM 568 CA ARG A 55 -0.530 21.044 -10.725 1.00 0.00 C ATOM 569 C ARG A 55 -1.278 21.575 -11.949 1.00 0.00 C ATOM 570 O ARG A 55 -1.635 22.751 -12.002 1.00 0.00 O ATOM 571 CB ARG A 55 0.853 20.550 -11.156 1.00 0.00 C ATOM 572 CG ARG A 55 1.947 21.519 -10.702 1.00 0.00 C ATOM 573 CD ARG A 55 1.830 22.859 -11.432 1.00 0.00 C ATOM 574 NE ARG A 55 1.424 23.919 -10.482 1.00 0.00 N ATOM 575 CZ ARG A 55 1.613 25.238 -10.695 1.00 0.00 C ATOM 576 NH1 ARG A 55 2.205 25.672 -11.828 1.00 0.00 N ATOM 577 NH2 ARG A 55 1.210 26.098 -9.778 1.00 0.00 N ATOM 0 H ARG A 55 -1.222 19.073 -10.550 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.407 21.844 -9.995 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.038 19.563 -10.733 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.884 20.443 -12.240 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.873 21.679 -9.626 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.927 21.082 -10.892 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.784 23.117 -11.891 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.099 22.781 -12.237 1.00 0.00 H new ATOM 0 HE ARG A 55 0.973 23.635 -9.612 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.514 25.001 -12.532 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.344 26.671 -11.981 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.764 25.762 -8.925 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.345 27.099 -9.923 1.00 0.00 H new ATOM 590 N GLN A 56 -1.495 20.682 -12.904 1.00 0.00 N ATOM 591 CA GLN A 56 -2.195 21.045 -14.124 1.00 0.00 C ATOM 592 C GLN A 56 -3.703 21.097 -13.876 1.00 0.00 C ATOM 593 O GLN A 56 -4.389 21.985 -14.379 1.00 0.00 O ATOM 594 CB GLN A 56 -1.859 20.075 -15.259 1.00 0.00 C ATOM 595 CG GLN A 56 -2.587 20.464 -16.547 1.00 0.00 C ATOM 596 CD GLN A 56 -1.976 21.724 -17.164 1.00 0.00 C ATOM 597 OE1 GLN A 56 -1.225 21.674 -18.124 1.00 0.00 O ATOM 598 NE2 GLN A 56 -2.337 22.852 -16.560 1.00 0.00 N ATOM 0 H GLN A 56 -1.198 19.707 -12.857 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.862 22.037 -14.428 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.783 20.071 -15.432 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -2.139 19.062 -14.971 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.533 19.642 -17.261 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -3.643 20.634 -16.335 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.970 22.822 -15.760 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.981 23.747 -16.896 1.00 0.00 H new ATOM 607 N GLY A 57 -4.176 20.133 -13.099 1.00 0.00 N ATOM 608 CA GLY A 57 -5.591 20.057 -12.778 1.00 0.00 C ATOM 609 C GLY A 57 -6.101 21.391 -12.228 1.00 0.00 C ATOM 610 O GLY A 57 -7.304 21.644 -12.219 1.00 0.00 O ATOM 0 H GLY A 57 -3.604 19.398 -12.683 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.156 19.788 -13.670 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.759 19.269 -12.044 1.00 0.00 H new ATOM 614 N LYS A 58 -5.159 22.210 -11.783 1.00 0.00 N ATOM 615 CA LYS A 58 -5.497 23.511 -11.233 1.00 0.00 C ATOM 616 C LYS A 58 -6.236 24.331 -12.292 1.00 0.00 C ATOM 617 O LYS A 58 -7.029 25.211 -11.959 1.00 0.00 O ATOM 618 CB LYS A 58 -4.248 24.201 -10.682 1.00 0.00 C ATOM 619 CG LYS A 58 -3.995 23.799 -9.228 1.00 0.00 C ATOM 620 CD LYS A 58 -3.615 25.015 -8.380 1.00 0.00 C ATOM 621 CE LYS A 58 -4.388 25.026 -7.060 1.00 0.00 C ATOM 622 NZ LYS A 58 -5.255 26.223 -6.976 1.00 0.00 N ATOM 0 H LYS A 58 -4.161 21.997 -11.792 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.173 23.402 -10.385 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.384 23.937 -11.292 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.367 25.282 -10.749 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.888 23.329 -8.816 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.197 23.058 -9.186 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.544 25.002 -8.178 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.823 25.930 -8.935 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.995 24.124 -6.980 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.690 25.016 -6.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.772 26.214 -6.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.669 27.081 -7.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.934 26.216 -7.764 1.00 0.00 H new ATOM 635 N GLU A 59 -5.951 24.013 -13.546 1.00 0.00 N ATOM 636 CA GLU A 59 -6.578 24.710 -14.656 1.00 0.00 C ATOM 637 C GLU A 59 -7.727 23.875 -15.225 1.00 0.00 C ATOM 638 O GLU A 59 -8.528 24.371 -16.016 1.00 0.00 O ATOM 639 CB GLU A 59 -5.555 25.046 -15.742 1.00 0.00 C ATOM 640 CG GLU A 59 -5.973 26.293 -16.524 1.00 0.00 C ATOM 641 CD GLU A 59 -4.760 26.970 -17.165 1.00 0.00 C ATOM 642 OE1 GLU A 59 -3.639 26.852 -16.649 1.00 0.00 O ATOM 643 OE2 GLU A 59 -5.014 27.638 -18.239 1.00 0.00 O ATOM 0 H GLU A 59 -5.294 23.282 -13.818 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.986 25.650 -14.285 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.578 25.208 -15.288 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.453 24.202 -16.424 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.691 26.018 -17.297 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.475 26.994 -15.857 1.00 0.00 H new ATOM 651 N MET A 60 -7.772 22.621 -14.800 1.00 0.00 N ATOM 652 CA MET A 60 -8.809 21.712 -15.257 1.00 0.00 C ATOM 653 C MET A 60 -9.048 21.864 -16.761 1.00 0.00 C ATOM 654 O MET A 60 -10.155 21.631 -17.244 1.00 0.00 O ATOM 655 CB MET A 60 -10.109 21.999 -14.502 1.00 0.00 C ATOM 656 CG MET A 60 -10.443 20.863 -13.534 1.00 0.00 C ATOM 657 SD MET A 60 -11.068 19.455 -14.437 1.00 0.00 S ATOM 658 CE MET A 60 -9.717 18.312 -14.202 1.00 0.00 C ATOM 0 H MET A 60 -7.106 22.213 -14.144 1.00 0.00 H new ATOM 0 HA MET A 60 -8.482 20.691 -15.061 1.00 0.00 H new ATOM 0 HB2 MET A 60 -10.015 22.935 -13.951 1.00 0.00 H new ATOM 0 HB3 MET A 60 -10.925 22.128 -15.213 1.00 0.00 H new ATOM 0 HG2 MET A 60 -9.553 20.579 -12.972 1.00 0.00 H new ATOM 0 HG3 MET A 60 -11.184 21.198 -12.809 1.00 0.00 H new ATOM 0 HE1 MET A 60 -10.094 17.290 -14.239 1.00 0.00 H new ATOM 0 HE2 MET A 60 -8.978 18.455 -14.991 1.00 0.00 H new ATOM 0 HE3 MET A 60 -9.252 18.492 -13.233 1.00 0.00 H new ATOM 668 N ASP A 61 -7.991 22.255 -17.459 1.00 0.00 N ATOM 669 CA ASP A 61 -8.072 22.441 -18.898 1.00 0.00 C ATOM 670 C ASP A 61 -7.474 21.220 -19.600 1.00 0.00 C ATOM 671 O ASP A 61 -7.648 21.045 -20.805 1.00 0.00 O ATOM 672 CB ASP A 61 -7.282 23.674 -19.339 1.00 0.00 C ATOM 673 CG ASP A 61 -7.970 25.014 -19.067 1.00 0.00 C ATOM 674 OD1 ASP A 61 -9.096 25.060 -18.550 1.00 0.00 O ATOM 675 OD2 ASP A 61 -7.292 26.055 -19.414 1.00 0.00 O ATOM 0 H ASP A 61 -7.075 22.448 -17.055 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.121 22.571 -19.163 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.317 23.669 -18.833 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.082 23.596 -20.408 1.00 0.00 H new ATOM 681 N SER A 62 -6.780 20.408 -18.816 1.00 0.00 N ATOM 682 CA SER A 62 -6.155 19.208 -19.348 1.00 0.00 C ATOM 683 C SER A 62 -6.619 17.983 -18.559 1.00 0.00 C ATOM 684 O SER A 62 -6.555 17.970 -17.330 1.00 0.00 O ATOM 685 CB SER A 62 -4.629 19.319 -19.308 1.00 0.00 C ATOM 686 OG SER A 62 -4.138 20.274 -20.244 1.00 0.00 O ATOM 0 H SER A 62 -6.637 20.557 -17.817 1.00 0.00 H new ATOM 0 HA SER A 62 -6.457 19.097 -20.389 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.312 19.600 -18.304 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.189 18.345 -19.520 1.00 0.00 H new ATOM 0 HG SER A 62 -3.161 20.316 -20.186 1.00 0.00 H new ATOM 692 N LEU A 63 -7.075 16.981 -19.297 1.00 0.00 N ATOM 693 CA LEU A 63 -7.550 15.754 -18.681 1.00 0.00 C ATOM 694 C LEU A 63 -7.102 14.559 -19.526 1.00 0.00 C ATOM 695 O LEU A 63 -7.602 13.449 -19.351 1.00 0.00 O ATOM 696 CB LEU A 63 -9.062 15.816 -18.458 1.00 0.00 C ATOM 697 CG LEU A 63 -9.836 16.771 -19.369 1.00 0.00 C ATOM 698 CD1 LEU A 63 -11.125 16.121 -19.876 1.00 0.00 C ATOM 699 CD2 LEU A 63 -10.104 18.103 -18.666 1.00 0.00 C ATOM 0 H LEU A 63 -7.125 16.994 -20.316 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.110 15.630 -17.691 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.470 14.813 -18.586 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.245 16.105 -17.423 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.219 16.986 -20.241 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.656 16.821 -20.521 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.881 15.221 -20.440 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.757 15.858 -19.028 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.655 18.763 -19.335 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.691 17.927 -17.765 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.156 18.569 -18.396 1.00 0.00 H new ATOM 711 N ARG A 64 -6.165 14.827 -20.423 1.00 0.00 N ATOM 712 CA ARG A 64 -5.644 13.788 -21.295 1.00 0.00 C ATOM 713 C ARG A 64 -4.423 13.122 -20.657 1.00 0.00 C ATOM 714 O ARG A 64 -3.287 13.501 -20.938 1.00 0.00 O ATOM 715 CB ARG A 64 -5.250 14.359 -22.659 1.00 0.00 C ATOM 716 CG ARG A 64 -5.444 13.320 -23.765 1.00 0.00 C ATOM 717 CD ARG A 64 -5.053 13.892 -25.129 1.00 0.00 C ATOM 718 NE ARG A 64 -4.985 12.807 -26.132 1.00 0.00 N ATOM 719 CZ ARG A 64 -4.486 12.958 -27.378 1.00 0.00 C ATOM 720 NH1 ARG A 64 -4.007 14.153 -27.784 1.00 0.00 N ATOM 721 NH2 ARG A 64 -4.474 11.919 -28.193 1.00 0.00 N ATOM 0 H ARG A 64 -5.753 15.749 -20.565 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.433 13.049 -21.437 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.851 15.242 -22.875 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.209 14.680 -22.636 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.841 12.438 -23.550 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.485 12.997 -23.787 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -5.781 14.641 -25.440 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.088 14.395 -25.059 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.337 11.887 -25.866 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.020 14.950 -27.148 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -3.632 14.258 -28.727 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.838 11.020 -27.878 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.101 12.016 -29.137 1.00 0.00 H new ATOM 734 N PHE A 65 -4.699 12.142 -19.809 1.00 0.00 N ATOM 735 CA PHE A 65 -3.637 11.420 -19.129 1.00 0.00 C ATOM 736 C PHE A 65 -3.048 10.334 -20.031 1.00 0.00 C ATOM 737 O PHE A 65 -3.765 9.446 -20.489 1.00 0.00 O ATOM 738 CB PHE A 65 -4.262 10.760 -17.898 1.00 0.00 C ATOM 739 CG PHE A 65 -5.233 9.624 -18.226 1.00 0.00 C ATOM 740 CD1 PHE A 65 -6.552 9.890 -18.419 1.00 0.00 C ATOM 741 CD2 PHE A 65 -4.775 8.347 -18.325 1.00 0.00 C ATOM 742 CE1 PHE A 65 -7.453 8.836 -18.724 1.00 0.00 C ATOM 743 CE2 PHE A 65 -5.676 7.292 -18.630 1.00 0.00 C ATOM 744 CZ PHE A 65 -6.996 7.559 -18.823 1.00 0.00 C ATOM 0 H PHE A 65 -5.642 11.831 -19.577 1.00 0.00 H new ATOM 0 HA PHE A 65 -2.834 12.106 -18.859 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.466 10.371 -17.263 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.789 11.519 -17.320 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.915 10.904 -18.340 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.727 8.135 -18.172 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.501 9.048 -18.877 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.313 6.278 -18.709 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.681 6.757 -19.055 1.00 0.00 H new ATOM 754 N LEU A 66 -1.747 10.440 -20.258 1.00 0.00 N ATOM 755 CA LEU A 66 -1.053 9.478 -21.097 1.00 0.00 C ATOM 756 C LEU A 66 0.437 9.483 -20.746 1.00 0.00 C ATOM 757 O LEU A 66 0.915 10.390 -20.067 1.00 0.00 O ATOM 758 CB LEU A 66 -1.337 9.752 -22.575 1.00 0.00 C ATOM 759 CG LEU A 66 -0.423 10.773 -23.256 1.00 0.00 C ATOM 760 CD1 LEU A 66 0.946 10.163 -23.563 1.00 0.00 C ATOM 761 CD2 LEU A 66 -1.086 11.354 -24.506 1.00 0.00 C ATOM 0 H LEU A 66 -1.155 11.177 -19.875 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.423 8.470 -20.907 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.265 8.810 -23.119 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.367 10.097 -22.669 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.259 11.600 -22.565 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.577 10.909 -24.047 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.416 9.838 -22.635 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.822 9.307 -24.227 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.416 12.077 -24.971 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.299 10.551 -25.211 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.016 11.849 -24.228 1.00 0.00 H new ATOM 773 N TYR A 67 1.128 8.459 -21.224 1.00 0.00 N ATOM 774 CA TYR A 67 2.553 8.334 -20.970 1.00 0.00 C ATOM 775 C TYR A 67 3.362 8.594 -22.242 1.00 0.00 C ATOM 776 O TYR A 67 4.373 9.294 -22.207 1.00 0.00 O ATOM 777 CB TYR A 67 2.777 6.887 -20.524 1.00 0.00 C ATOM 778 CG TYR A 67 4.248 6.514 -20.336 1.00 0.00 C ATOM 779 CD1 TYR A 67 5.103 7.383 -19.688 1.00 0.00 C ATOM 780 CD2 TYR A 67 4.722 5.310 -20.815 1.00 0.00 C ATOM 781 CE1 TYR A 67 6.488 7.032 -19.511 1.00 0.00 C ATOM 782 CE2 TYR A 67 6.107 4.959 -20.638 1.00 0.00 C ATOM 783 CZ TYR A 67 6.922 5.837 -19.994 1.00 0.00 C ATOM 784 OH TYR A 67 8.230 5.506 -19.827 1.00 0.00 O ATOM 0 H TYR A 67 0.727 7.708 -21.786 1.00 0.00 H new ATOM 0 HA TYR A 67 2.874 9.057 -20.220 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.248 6.721 -19.586 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.335 6.218 -21.262 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.733 8.326 -19.314 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.054 4.631 -21.323 1.00 0.00 H new ATOM 0 HE1 TYR A 67 7.167 7.703 -19.006 1.00 0.00 H new ATOM 0 HE2 TYR A 67 6.490 4.020 -21.008 1.00 0.00 H new ATOM 0 HH TYR A 67 8.397 4.624 -20.221 1.00 0.00 H new ATOM 794 N ASP A 68 2.888 8.016 -23.336 1.00 0.00 N ATOM 795 CA ASP A 68 3.554 8.176 -24.617 1.00 0.00 C ATOM 796 C ASP A 68 2.628 8.924 -25.578 1.00 0.00 C ATOM 797 O ASP A 68 2.892 10.071 -25.934 1.00 0.00 O ATOM 798 CB ASP A 68 3.886 6.819 -25.239 1.00 0.00 C ATOM 799 CG ASP A 68 5.292 6.705 -25.832 1.00 0.00 C ATOM 800 OD1 ASP A 68 5.737 7.578 -26.591 1.00 0.00 O ATOM 801 OD2 ASP A 68 5.949 5.652 -25.480 1.00 0.00 O ATOM 0 H ASP A 68 2.050 7.436 -23.361 1.00 0.00 H new ATOM 0 HA ASP A 68 4.477 8.731 -24.450 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.766 6.048 -24.478 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.159 6.608 -26.023 1.00 0.00 H new ATOM 807 N GLY A 69 1.563 8.242 -25.973 1.00 0.00 N ATOM 808 CA GLY A 69 0.596 8.827 -26.886 1.00 0.00 C ATOM 809 C GLY A 69 -0.605 7.900 -27.081 1.00 0.00 C ATOM 810 O GLY A 69 -1.165 7.824 -28.174 1.00 0.00 O ATOM 0 H GLY A 69 1.349 7.290 -25.677 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.259 9.788 -26.497 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.070 9.021 -27.848 1.00 0.00 H new ATOM 814 N ILE A 70 -0.966 7.217 -26.005 1.00 0.00 N ATOM 815 CA ILE A 70 -2.091 6.298 -26.044 1.00 0.00 C ATOM 816 C ILE A 70 -2.687 6.169 -24.641 1.00 0.00 C ATOM 817 O ILE A 70 -2.901 5.060 -24.153 1.00 0.00 O ATOM 818 CB ILE A 70 -1.669 4.961 -26.658 1.00 0.00 C ATOM 819 CG1 ILE A 70 -0.160 4.746 -26.521 1.00 0.00 C ATOM 820 CG2 ILE A 70 -2.133 4.856 -28.112 1.00 0.00 C ATOM 821 CD1 ILE A 70 0.145 3.372 -25.924 1.00 0.00 C ATOM 0 H ILE A 70 -0.499 7.281 -25.100 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.878 6.686 -26.691 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.159 4.160 -26.104 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.314 4.835 -27.498 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.266 5.524 -25.888 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.821 3.897 -28.525 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.220 4.932 -28.154 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.690 5.664 -28.695 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.224 3.244 -25.837 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.310 3.295 -24.937 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.261 2.595 -26.572 1.00 0.00 H new ATOM 833 N ARG A 71 -2.939 7.318 -24.032 1.00 0.00 N ATOM 834 CA ARG A 71 -3.507 7.347 -22.694 1.00 0.00 C ATOM 835 C ARG A 71 -2.940 6.203 -21.852 1.00 0.00 C ATOM 836 O ARG A 71 -3.681 5.522 -21.144 1.00 0.00 O ATOM 837 CB ARG A 71 -5.032 7.231 -22.741 1.00 0.00 C ATOM 838 CG ARG A 71 -5.466 5.772 -22.894 1.00 0.00 C ATOM 839 CD ARG A 71 -6.476 5.617 -24.032 1.00 0.00 C ATOM 840 NE ARG A 71 -5.967 4.653 -25.033 1.00 0.00 N ATOM 841 CZ ARG A 71 -6.751 3.975 -25.899 1.00 0.00 C ATOM 842 NH1 ARG A 71 -8.089 4.152 -25.893 1.00 0.00 N ATOM 843 NH2 ARG A 71 -6.189 3.138 -26.751 1.00 0.00 N ATOM 0 H ARG A 71 -2.761 8.236 -24.440 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.241 8.302 -22.241 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -5.460 7.648 -21.830 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.420 7.819 -23.573 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.594 5.148 -23.090 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.907 5.420 -21.961 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.432 5.273 -23.637 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.656 6.583 -24.504 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.961 4.490 -25.071 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.515 4.801 -25.231 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.675 3.636 -26.550 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.177 3.011 -26.749 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.767 2.618 -27.412 1.00 0.00 H new ATOM 856 N ILE A 72 -1.631 6.026 -21.956 1.00 0.00 N ATOM 857 CA ILE A 72 -0.957 4.976 -21.212 1.00 0.00 C ATOM 858 C ILE A 72 -0.251 5.587 -20.000 1.00 0.00 C ATOM 859 O ILE A 72 -0.168 6.808 -19.876 1.00 0.00 O ATOM 860 CB ILE A 72 -0.025 4.183 -22.131 1.00 0.00 C ATOM 861 CG1 ILE A 72 0.724 5.113 -23.088 1.00 0.00 C ATOM 862 CG2 ILE A 72 -0.791 3.088 -22.877 1.00 0.00 C ATOM 863 CD1 ILE A 72 2.075 4.517 -23.486 1.00 0.00 C ATOM 0 H ILE A 72 -1.019 6.592 -22.544 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.680 4.256 -20.830 1.00 0.00 H new ATOM 0 HB ILE A 72 0.723 3.688 -21.513 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.121 5.285 -23.980 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.876 6.083 -22.614 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.105 2.540 -23.523 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.238 2.402 -22.157 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.576 3.541 -23.483 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.587 5.198 -24.166 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.684 4.369 -22.594 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.918 3.559 -23.981 1.00 0.00 H new ATOM 875 N GLN A 73 0.240 4.710 -19.136 1.00 0.00 N ATOM 876 CA GLN A 73 0.935 5.149 -17.938 1.00 0.00 C ATOM 877 C GLN A 73 2.289 4.446 -17.823 1.00 0.00 C ATOM 878 O GLN A 73 2.597 3.551 -18.610 1.00 0.00 O ATOM 879 CB GLN A 73 0.084 4.907 -16.690 1.00 0.00 C ATOM 880 CG GLN A 73 -0.808 6.114 -16.392 1.00 0.00 C ATOM 881 CD GLN A 73 -2.284 5.713 -16.373 1.00 0.00 C ATOM 882 OE1 GLN A 73 -2.745 4.904 -17.162 1.00 0.00 O ATOM 883 NE2 GLN A 73 -2.998 6.322 -15.431 1.00 0.00 N ATOM 0 H GLN A 73 0.170 3.698 -19.242 1.00 0.00 H new ATOM 0 HA GLN A 73 1.110 6.222 -18.015 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.534 4.020 -16.833 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.732 4.710 -15.836 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.532 6.546 -15.430 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -0.647 6.885 -17.145 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.550 6.989 -14.803 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.994 6.122 -15.337 1.00 0.00 H new ATOM 892 N ALA A 74 3.062 4.877 -16.837 1.00 0.00 N ATOM 893 CA ALA A 74 4.376 4.299 -16.609 1.00 0.00 C ATOM 894 C ALA A 74 4.229 3.014 -15.793 1.00 0.00 C ATOM 895 O ALA A 74 4.262 1.916 -16.347 1.00 0.00 O ATOM 896 CB ALA A 74 5.273 5.329 -15.919 1.00 0.00 C ATOM 0 H ALA A 74 2.804 5.619 -16.187 1.00 0.00 H new ATOM 0 HA ALA A 74 4.849 4.036 -17.555 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.259 4.896 -15.748 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.369 6.211 -16.553 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.831 5.615 -14.964 1.00 0.00 H new ATOM 902 N ASP A 75 4.070 3.193 -14.490 1.00 0.00 N ATOM 903 CA ASP A 75 3.918 2.060 -13.593 1.00 0.00 C ATOM 904 C ASP A 75 2.483 2.025 -13.061 1.00 0.00 C ATOM 905 O ASP A 75 2.263 1.788 -11.875 1.00 0.00 O ATOM 906 CB ASP A 75 4.863 2.176 -12.395 1.00 0.00 C ATOM 907 CG ASP A 75 6.073 3.086 -12.612 1.00 0.00 C ATOM 908 OD1 ASP A 75 5.928 4.275 -12.936 1.00 0.00 O ATOM 909 OD2 ASP A 75 7.219 2.522 -12.433 1.00 0.00 O ATOM 0 H ASP A 75 4.043 4.105 -14.034 1.00 0.00 H new ATOM 0 HA ASP A 75 4.152 1.154 -14.151 1.00 0.00 H new ATOM 0 HB2 ASP A 75 4.298 2.546 -11.540 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.219 1.179 -12.134 1.00 0.00 H new ATOM 915 N GLN A 76 1.545 2.266 -13.965 1.00 0.00 N ATOM 916 CA GLN A 76 0.138 2.265 -13.602 1.00 0.00 C ATOM 917 C GLN A 76 -0.288 0.873 -13.132 1.00 0.00 C ATOM 918 O GLN A 76 -1.346 0.716 -12.525 1.00 0.00 O ATOM 919 CB GLN A 76 -0.730 2.739 -14.770 1.00 0.00 C ATOM 920 CG GLN A 76 -2.131 2.130 -14.693 1.00 0.00 C ATOM 921 CD GLN A 76 -2.136 0.695 -15.223 1.00 0.00 C ATOM 922 OE1 GLN A 76 -1.269 0.281 -15.975 1.00 0.00 O ATOM 923 NE2 GLN A 76 -3.157 -0.039 -14.790 1.00 0.00 N ATOM 0 H GLN A 76 1.732 2.463 -14.948 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.005 2.965 -12.779 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.801 3.827 -14.757 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.260 2.461 -15.713 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.480 2.141 -13.660 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -2.827 2.737 -15.271 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.848 0.370 -14.161 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.249 -1.011 -15.087 1.00 0.00 H new ATOM 932 N THR A 77 0.559 -0.102 -13.430 1.00 0.00 N ATOM 933 CA THR A 77 0.283 -1.476 -13.045 1.00 0.00 C ATOM 934 C THR A 77 0.439 -1.647 -11.532 1.00 0.00 C ATOM 935 O THR A 77 1.374 -1.115 -10.937 1.00 0.00 O ATOM 936 CB THR A 77 1.203 -2.388 -13.858 1.00 0.00 C ATOM 937 OG1 THR A 77 1.234 -1.788 -15.150 1.00 0.00 O ATOM 938 CG2 THR A 77 0.591 -3.769 -14.103 1.00 0.00 C ATOM 0 H THR A 77 1.436 0.032 -13.933 1.00 0.00 H new ATOM 0 HA THR A 77 -0.748 -1.750 -13.267 1.00 0.00 H new ATOM 0 HB THR A 77 2.155 -2.500 -13.338 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.810 -2.315 -15.742 1.00 0.00 H new ATOM 0 HG21 THR A 77 1.285 -4.376 -14.684 1.00 0.00 H new ATOM 0 HG22 THR A 77 0.396 -4.255 -13.147 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.344 -3.660 -14.652 1.00 0.00 H new ATOM 946 N PRO A 78 -0.516 -2.413 -10.939 1.00 0.00 N ATOM 947 CA PRO A 78 -0.493 -2.662 -9.508 1.00 0.00 C ATOM 948 C PRO A 78 0.594 -3.675 -9.145 1.00 0.00 C ATOM 949 O PRO A 78 0.878 -3.890 -7.967 1.00 0.00 O ATOM 950 CB PRO A 78 -1.894 -3.147 -9.171 1.00 0.00 C ATOM 951 CG PRO A 78 -2.508 -3.594 -10.488 1.00 0.00 C ATOM 952 CD PRO A 78 -1.638 -3.060 -11.613 1.00 0.00 C ATOM 0 HA PRO A 78 -0.244 -1.772 -8.930 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.861 -3.969 -8.456 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.484 -2.352 -8.715 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.565 -4.682 -10.533 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.527 -3.217 -10.582 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.298 -3.864 -12.266 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -2.186 -2.354 -12.236 1.00 0.00 H new ATOM 960 N GLU A 79 1.172 -4.270 -10.177 1.00 0.00 N ATOM 961 CA GLU A 79 2.222 -5.256 -9.981 1.00 0.00 C ATOM 962 C GLU A 79 3.595 -4.620 -10.204 1.00 0.00 C ATOM 963 O GLU A 79 4.598 -5.098 -9.677 1.00 0.00 O ATOM 964 CB GLU A 79 2.021 -6.462 -10.901 1.00 0.00 C ATOM 965 CG GLU A 79 1.958 -7.761 -10.096 1.00 0.00 C ATOM 966 CD GLU A 79 2.792 -8.859 -10.760 1.00 0.00 C ATOM 967 OE1 GLU A 79 2.808 -8.963 -11.996 1.00 0.00 O ATOM 968 OE2 GLU A 79 3.440 -9.619 -9.945 1.00 0.00 O ATOM 0 H GLU A 79 0.934 -4.089 -11.152 1.00 0.00 H new ATOM 0 HA GLU A 79 2.171 -5.613 -8.952 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.101 -6.339 -11.472 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.838 -6.515 -11.621 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.323 -7.584 -9.084 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.922 -8.089 -10.009 1.00 0.00 H new ATOM 976 N ASP A 80 3.597 -3.550 -10.986 1.00 0.00 N ATOM 977 CA ASP A 80 4.831 -2.843 -11.285 1.00 0.00 C ATOM 978 C ASP A 80 5.191 -1.934 -10.108 1.00 0.00 C ATOM 979 O ASP A 80 6.333 -1.925 -9.653 1.00 0.00 O ATOM 980 CB ASP A 80 4.676 -1.967 -12.530 1.00 0.00 C ATOM 981 CG ASP A 80 5.946 -1.235 -12.967 1.00 0.00 C ATOM 982 OD1 ASP A 80 6.756 -0.805 -12.132 1.00 0.00 O ATOM 983 OD2 ASP A 80 6.091 -1.110 -14.243 1.00 0.00 O ATOM 0 H ASP A 80 2.763 -3.156 -11.422 1.00 0.00 H new ATOM 0 HA ASP A 80 5.611 -3.584 -11.461 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.332 -2.591 -13.355 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.896 -1.229 -12.342 1.00 0.00 H new ATOM 989 N LEU A 81 4.194 -1.191 -9.650 1.00 0.00 N ATOM 990 CA LEU A 81 4.391 -0.280 -8.535 1.00 0.00 C ATOM 991 C LEU A 81 4.993 -1.047 -7.356 1.00 0.00 C ATOM 992 O LEU A 81 5.873 -0.538 -6.664 1.00 0.00 O ATOM 993 CB LEU A 81 3.086 0.443 -8.197 1.00 0.00 C ATOM 994 CG LEU A 81 1.979 -0.420 -7.590 1.00 0.00 C ATOM 995 CD1 LEU A 81 2.139 -0.531 -6.073 1.00 0.00 C ATOM 996 CD2 LEU A 81 0.596 0.105 -7.984 1.00 0.00 C ATOM 0 H LEU A 81 3.248 -1.201 -10.031 1.00 0.00 H new ATOM 0 HA LEU A 81 5.101 0.502 -8.803 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.311 1.252 -7.502 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.702 0.903 -9.108 1.00 0.00 H new ATOM 0 HG LEU A 81 2.069 -1.427 -7.997 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.339 -1.150 -5.667 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.102 -0.985 -5.841 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.090 0.463 -5.628 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.173 -0.527 -7.539 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.479 1.127 -7.624 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.496 0.089 -9.069 1.00 0.00 H new ATOM 1008 N ASP A 82 4.494 -2.259 -7.163 1.00 0.00 N ATOM 1009 CA ASP A 82 4.971 -3.102 -6.079 1.00 0.00 C ATOM 1010 C ASP A 82 6.434 -3.468 -6.331 1.00 0.00 C ATOM 1011 O ASP A 82 7.157 -3.824 -5.401 1.00 0.00 O ATOM 1012 CB ASP A 82 4.166 -4.400 -5.996 1.00 0.00 C ATOM 1013 CG ASP A 82 3.205 -4.490 -4.808 1.00 0.00 C ATOM 1014 OD1 ASP A 82 1.980 -4.569 -4.982 1.00 0.00 O ATOM 1015 OD2 ASP A 82 3.770 -4.477 -3.648 1.00 0.00 O ATOM 0 H ASP A 82 3.764 -2.678 -7.739 1.00 0.00 H new ATOM 0 HA ASP A 82 4.859 -2.549 -5.147 1.00 0.00 H new ATOM 0 HB2 ASP A 82 3.594 -4.514 -6.917 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.861 -5.238 -5.946 1.00 0.00 H new ATOM 1021 N MET A 83 6.828 -3.369 -7.592 1.00 0.00 N ATOM 1022 CA MET A 83 8.193 -3.685 -7.977 1.00 0.00 C ATOM 1023 C MET A 83 9.038 -2.416 -8.096 1.00 0.00 C ATOM 1024 O MET A 83 9.742 -2.044 -7.158 1.00 0.00 O ATOM 1025 CB MET A 83 8.187 -4.422 -9.318 1.00 0.00 C ATOM 1026 CG MET A 83 8.525 -5.903 -9.132 1.00 0.00 C ATOM 1027 SD MET A 83 8.637 -6.708 -10.721 1.00 0.00 S ATOM 1028 CE MET A 83 7.071 -6.221 -11.426 1.00 0.00 C ATOM 0 H MET A 83 6.226 -3.074 -8.361 1.00 0.00 H new ATOM 0 HA MET A 83 8.631 -4.318 -7.205 1.00 0.00 H new ATOM 0 HB2 MET A 83 7.207 -4.325 -9.786 1.00 0.00 H new ATOM 0 HB3 MET A 83 8.909 -3.963 -9.993 1.00 0.00 H new ATOM 0 HG2 MET A 83 9.469 -6.005 -8.596 1.00 0.00 H new ATOM 0 HG3 MET A 83 7.760 -6.385 -8.524 1.00 0.00 H new ATOM 0 HE1 MET A 83 6.838 -6.865 -12.274 1.00 0.00 H new ATOM 0 HE2 MET A 83 6.288 -6.315 -10.673 1.00 0.00 H new ATOM 0 HE3 MET A 83 7.129 -5.186 -11.762 1.00 0.00 H new ATOM 1038 N GLU A 84 8.940 -1.784 -9.257 1.00 0.00 N ATOM 1039 CA GLU A 84 9.687 -0.564 -9.510 1.00 0.00 C ATOM 1040 C GLU A 84 9.303 0.514 -8.494 1.00 0.00 C ATOM 1041 O GLU A 84 8.286 0.395 -7.813 1.00 0.00 O ATOM 1042 CB GLU A 84 9.464 -0.072 -10.942 1.00 0.00 C ATOM 1043 CG GLU A 84 10.631 0.800 -11.410 1.00 0.00 C ATOM 1044 CD GLU A 84 11.969 0.093 -11.183 1.00 0.00 C ATOM 1045 OE1 GLU A 84 12.024 -1.146 -11.182 1.00 0.00 O ATOM 1046 OE2 GLU A 84 12.977 0.878 -11.003 1.00 0.00 O ATOM 0 H GLU A 84 8.355 -2.094 -10.032 1.00 0.00 H new ATOM 0 HA GLU A 84 10.749 -0.781 -9.396 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.352 -0.926 -11.610 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.536 0.497 -10.994 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.514 1.033 -12.468 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.620 1.748 -10.872 1.00 0.00 H new ATOM 1054 N ASP A 85 10.137 1.541 -8.425 1.00 0.00 N ATOM 1055 CA ASP A 85 9.898 2.639 -7.504 1.00 0.00 C ATOM 1056 C ASP A 85 10.108 3.966 -8.234 1.00 0.00 C ATOM 1057 O ASP A 85 11.167 4.582 -8.119 1.00 0.00 O ATOM 1058 CB ASP A 85 10.870 2.589 -6.324 1.00 0.00 C ATOM 1059 CG ASP A 85 12.350 2.532 -6.707 1.00 0.00 C ATOM 1060 OD1 ASP A 85 12.835 1.520 -7.235 1.00 0.00 O ATOM 1061 OD2 ASP A 85 13.025 3.599 -6.439 1.00 0.00 O ATOM 0 H ASP A 85 10.979 1.636 -8.992 1.00 0.00 H new ATOM 0 HA ASP A 85 8.877 2.552 -7.134 1.00 0.00 H new ATOM 0 HB2 ASP A 85 10.705 3.467 -5.700 1.00 0.00 H new ATOM 0 HB3 ASP A 85 10.634 1.716 -5.715 1.00 0.00 H new ATOM 1067 N ASN A 86 9.082 4.369 -8.970 1.00 0.00 N ATOM 1068 CA ASN A 86 9.141 5.613 -9.719 1.00 0.00 C ATOM 1069 C ASN A 86 7.806 5.837 -10.433 1.00 0.00 C ATOM 1070 O ASN A 86 7.553 5.245 -11.481 1.00 0.00 O ATOM 1071 CB ASN A 86 10.243 5.566 -10.779 1.00 0.00 C ATOM 1072 CG ASN A 86 10.862 6.949 -10.988 1.00 0.00 C ATOM 1073 OD1 ASN A 86 10.416 7.946 -10.445 1.00 0.00 O ATOM 1074 ND2 ASN A 86 11.914 6.953 -11.802 1.00 0.00 N ATOM 0 H ASN A 86 8.205 3.856 -9.063 1.00 0.00 H new ATOM 0 HA ASN A 86 9.351 6.420 -9.017 1.00 0.00 H new ATOM 0 HB2 ASN A 86 11.016 4.860 -10.474 1.00 0.00 H new ATOM 0 HB3 ASN A 86 9.832 5.202 -11.720 1.00 0.00 H new ATOM 0 HD21 ASN A 86 12.399 7.827 -12.004 1.00 0.00 H new ATOM 0 HD22 ASN A 86 12.236 6.082 -12.224 1.00 0.00 H new ATOM 1081 N ASP A 87 6.989 6.692 -9.838 1.00 0.00 N ATOM 1082 CA ASP A 87 5.687 7.001 -10.404 1.00 0.00 C ATOM 1083 C ASP A 87 5.790 8.276 -11.243 1.00 0.00 C ATOM 1084 O ASP A 87 5.653 9.381 -10.719 1.00 0.00 O ATOM 1085 CB ASP A 87 4.651 7.241 -9.304 1.00 0.00 C ATOM 1086 CG ASP A 87 5.218 7.314 -7.885 1.00 0.00 C ATOM 1087 OD1 ASP A 87 6.368 7.729 -7.678 1.00 0.00 O ATOM 1088 OD2 ASP A 87 4.417 6.917 -6.956 1.00 0.00 O ATOM 0 H ASP A 87 7.203 7.181 -8.969 1.00 0.00 H new ATOM 0 HA ASP A 87 5.375 6.154 -11.014 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.126 8.172 -9.517 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.911 6.442 -9.342 1.00 0.00 H new ATOM 1094 N ILE A 88 6.031 8.081 -12.531 1.00 0.00 N ATOM 1095 CA ILE A 88 6.155 9.202 -13.447 1.00 0.00 C ATOM 1096 C ILE A 88 5.241 8.973 -14.653 1.00 0.00 C ATOM 1097 O ILE A 88 5.213 7.880 -15.216 1.00 0.00 O ATOM 1098 CB ILE A 88 7.621 9.430 -13.821 1.00 0.00 C ATOM 1099 CG1 ILE A 88 7.858 9.145 -15.306 1.00 0.00 C ATOM 1100 CG2 ILE A 88 8.549 8.608 -12.925 1.00 0.00 C ATOM 1101 CD1 ILE A 88 7.768 7.646 -15.598 1.00 0.00 C ATOM 0 H ILE A 88 6.144 7.163 -12.962 1.00 0.00 H new ATOM 0 HA ILE A 88 5.826 10.124 -12.967 1.00 0.00 H new ATOM 0 HB ILE A 88 7.858 10.481 -13.652 1.00 0.00 H new ATOM 0 HG12 ILE A 88 7.121 9.681 -15.905 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.839 9.518 -15.599 1.00 0.00 H new ATOM 0 HG21 ILE A 88 9.585 8.788 -13.212 1.00 0.00 H new ATOM 0 HG22 ILE A 88 8.404 8.901 -11.885 1.00 0.00 H new ATOM 0 HG23 ILE A 88 8.320 7.548 -13.039 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.940 7.471 -16.660 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.522 7.116 -15.016 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.777 7.281 -15.326 1.00 0.00 H new ATOM 1113 N ILE A 89 4.515 10.021 -15.013 1.00 0.00 N ATOM 1114 CA ILE A 89 3.602 9.947 -16.141 1.00 0.00 C ATOM 1115 C ILE A 89 3.477 11.332 -16.781 1.00 0.00 C ATOM 1116 O ILE A 89 4.008 12.311 -16.260 1.00 0.00 O ATOM 1117 CB ILE A 89 2.263 9.346 -15.709 1.00 0.00 C ATOM 1118 CG1 ILE A 89 2.463 8.288 -14.622 1.00 0.00 C ATOM 1119 CG2 ILE A 89 1.496 8.795 -16.912 1.00 0.00 C ATOM 1120 CD1 ILE A 89 1.118 7.776 -14.102 1.00 0.00 C ATOM 0 H ILE A 89 4.540 10.926 -14.543 1.00 0.00 H new ATOM 0 HA ILE A 89 3.994 9.276 -16.905 1.00 0.00 H new ATOM 0 HB ILE A 89 1.655 10.141 -15.277 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.043 7.456 -15.021 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.038 8.711 -13.799 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.548 8.374 -16.577 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.305 9.600 -17.621 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.088 8.018 -17.396 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.288 7.025 -13.330 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.551 8.606 -13.681 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.556 7.331 -14.923 1.00 0.00 H new ATOM 1132 N GLU A 90 2.770 11.368 -17.901 1.00 0.00 N ATOM 1133 CA GLU A 90 2.568 12.616 -18.618 1.00 0.00 C ATOM 1134 C GLU A 90 1.089 13.006 -18.598 1.00 0.00 C ATOM 1135 O GLU A 90 0.218 12.161 -18.800 1.00 0.00 O ATOM 1136 CB GLU A 90 3.090 12.515 -20.053 1.00 0.00 C ATOM 1137 CG GLU A 90 3.027 13.873 -20.756 1.00 0.00 C ATOM 1138 CD GLU A 90 4.406 14.534 -20.796 1.00 0.00 C ATOM 1139 OE1 GLU A 90 5.427 13.847 -20.643 1.00 0.00 O ATOM 1140 OE2 GLU A 90 4.394 15.808 -20.995 1.00 0.00 O ATOM 0 H GLU A 90 2.330 10.554 -18.329 1.00 0.00 H new ATOM 0 HA GLU A 90 3.136 13.398 -18.114 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.118 12.153 -20.045 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.499 11.786 -20.608 1.00 0.00 H new ATOM 0 HG2 GLU A 90 2.652 13.744 -21.771 1.00 0.00 H new ATOM 0 HG3 GLU A 90 2.323 14.523 -20.237 1.00 0.00 H new ATOM 1148 N ALA A 91 0.850 14.286 -18.354 1.00 0.00 N ATOM 1149 CA ALA A 91 -0.508 14.798 -18.305 1.00 0.00 C ATOM 1150 C ALA A 91 -0.748 15.712 -19.509 1.00 0.00 C ATOM 1151 O ALA A 91 -0.214 16.819 -19.568 1.00 0.00 O ATOM 1152 CB ALA A 91 -0.737 15.516 -16.974 1.00 0.00 C ATOM 0 H ALA A 91 1.575 14.984 -18.188 1.00 0.00 H new ATOM 0 HA ALA A 91 -1.227 13.981 -18.362 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.757 15.900 -16.938 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.584 14.817 -16.152 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.034 16.344 -16.882 1.00 0.00 H new ATOM 1158 N HIS A 92 -1.551 15.215 -20.438 1.00 0.00 N ATOM 1159 CA HIS A 92 -1.867 15.974 -21.637 1.00 0.00 C ATOM 1160 C HIS A 92 -3.224 16.660 -21.467 1.00 0.00 C ATOM 1161 O HIS A 92 -3.936 16.404 -20.496 1.00 0.00 O ATOM 1162 CB HIS A 92 -1.807 15.080 -22.877 1.00 0.00 C ATOM 1163 CG HIS A 92 -0.483 15.125 -23.603 1.00 0.00 C ATOM 1164 ND1 HIS A 92 0.731 15.201 -22.943 1.00 0.00 N ATOM 1165 CD2 HIS A 92 -0.197 15.104 -24.936 1.00 0.00 C ATOM 1166 CE1 HIS A 92 1.698 15.225 -23.849 1.00 0.00 C ATOM 1167 NE2 HIS A 92 1.121 15.165 -25.083 1.00 0.00 N ATOM 0 H HIS A 92 -1.992 14.297 -20.385 1.00 0.00 H new ATOM 0 HA HIS A 92 -1.120 16.754 -21.785 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -2.013 14.051 -22.581 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -2.598 15.378 -23.566 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -0.920 15.047 -25.736 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.757 15.282 -23.646 1.00 0.00 H new ATOM 0 HE2 HIS A 92 1.620 15.167 -25.973 1.00 0.00 H new ATOM 1175 N ARG A 93 -3.542 17.518 -22.425 1.00 0.00 N ATOM 1176 CA ARG A 93 -4.800 18.243 -22.393 1.00 0.00 C ATOM 1177 C ARG A 93 -5.829 17.559 -23.296 1.00 0.00 C ATOM 1178 O ARG A 93 -5.471 16.960 -24.309 1.00 0.00 O ATOM 1179 CB ARG A 93 -4.613 19.691 -22.850 1.00 0.00 C ATOM 1180 CG ARG A 93 -4.638 19.792 -24.377 1.00 0.00 C ATOM 1181 CD ARG A 93 -3.465 19.030 -24.996 1.00 0.00 C ATOM 1182 NE ARG A 93 -3.228 19.501 -26.379 1.00 0.00 N ATOM 1183 CZ ARG A 93 -2.701 20.705 -26.688 1.00 0.00 C ATOM 1184 NH1 ARG A 93 -2.351 21.570 -25.713 1.00 0.00 N ATOM 1185 NH2 ARG A 93 -2.534 21.022 -27.958 1.00 0.00 N ATOM 0 H ARG A 93 -2.950 17.727 -23.229 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.157 18.243 -21.363 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -5.402 20.314 -22.428 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -3.666 20.076 -22.472 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -5.578 19.391 -24.756 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -4.595 20.839 -24.677 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.568 19.176 -24.395 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.676 17.961 -24.998 1.00 0.00 H new ATOM 0 HE ARG A 93 -3.478 18.877 -27.146 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -2.484 21.316 -24.734 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.953 22.478 -25.955 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -2.802 20.362 -28.688 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.137 21.927 -28.210 1.00 0.00 H new ATOM 1198 N GLU A 94 -7.088 17.672 -22.896 1.00 0.00 N ATOM 1199 CA GLU A 94 -8.171 17.072 -23.656 1.00 0.00 C ATOM 1200 C GLU A 94 -9.506 17.717 -23.276 1.00 0.00 C ATOM 1201 O GLU A 94 -10.278 17.147 -22.507 1.00 0.00 O ATOM 1202 CB GLU A 94 -8.214 15.557 -23.447 1.00 0.00 C ATOM 1203 CG GLU A 94 -9.576 14.987 -23.849 1.00 0.00 C ATOM 1204 CD GLU A 94 -9.427 13.597 -24.471 1.00 0.00 C ATOM 1205 OE1 GLU A 94 -9.073 13.482 -25.653 1.00 0.00 O ATOM 1206 OE2 GLU A 94 -9.692 12.614 -23.678 1.00 0.00 O ATOM 0 H GLU A 94 -7.381 18.170 -22.056 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.990 17.254 -24.715 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.429 15.083 -24.036 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.013 15.325 -22.401 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -10.223 14.930 -22.974 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.059 15.657 -24.560 1.00 0.00 H new ATOM 1214 N GLN A 95 -9.737 18.896 -23.834 1.00 0.00 N ATOM 1215 CA GLN A 95 -10.965 19.624 -23.563 1.00 0.00 C ATOM 1216 C GLN A 95 -11.269 20.596 -24.705 1.00 0.00 C ATOM 1217 O GLN A 95 -11.003 21.792 -24.595 1.00 0.00 O ATOM 1218 CB GLN A 95 -10.882 20.361 -22.224 1.00 0.00 C ATOM 1219 CG GLN A 95 -12.151 21.176 -21.968 1.00 0.00 C ATOM 1220 CD GLN A 95 -11.807 22.598 -21.519 1.00 0.00 C ATOM 1221 OE1 GLN A 95 -10.838 22.838 -20.819 1.00 0.00 O ATOM 1222 NE2 GLN A 95 -12.654 23.524 -21.960 1.00 0.00 N ATOM 0 H GLN A 95 -9.095 19.365 -24.473 1.00 0.00 H new ATOM 0 HA GLN A 95 -11.782 18.906 -23.495 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -10.738 19.642 -21.417 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.015 21.021 -22.221 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.753 21.213 -22.876 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.755 20.686 -21.205 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.446 23.254 -22.543 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -12.511 24.504 -21.715 1.00 0.00 H new ATOM 1231 N ILE A 96 -11.821 20.045 -25.776 1.00 0.00 N ATOM 1232 CA ILE A 96 -12.164 20.848 -26.938 1.00 0.00 C ATOM 1233 C ILE A 96 -13.615 21.319 -26.817 1.00 0.00 C ATOM 1234 O ILE A 96 -14.352 20.855 -25.948 1.00 0.00 O ATOM 1235 CB ILE A 96 -11.874 20.077 -28.227 1.00 0.00 C ATOM 1236 CG1 ILE A 96 -12.821 18.885 -28.378 1.00 0.00 C ATOM 1237 CG2 ILE A 96 -10.405 19.654 -28.294 1.00 0.00 C ATOM 1238 CD1 ILE A 96 -14.242 19.351 -28.699 1.00 0.00 C ATOM 0 H ILE A 96 -12.039 19.053 -25.864 1.00 0.00 H new ATOM 0 HA ILE A 96 -11.541 21.741 -26.981 1.00 0.00 H new ATOM 0 HB ILE A 96 -12.057 20.742 -29.071 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -12.462 18.229 -29.171 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -12.825 18.301 -27.458 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -10.226 19.108 -29.220 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -9.770 20.539 -28.266 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -10.172 19.013 -27.444 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -14.895 18.484 -28.801 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -14.607 19.987 -27.893 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -14.238 19.914 -29.632 1.00 0.00 H new TER 1250 ILE A 96